Complet list of 1c9q con file
Complete list of 1c9q.con file
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 589
C A 0001 ARG C 2.433 H A 0002 ASP CA
C A 0001 ARG C 3.059 H A 0002 ASP C
C A 0001 ARG C 3.707 H A 0002 ASP CB
C A 0001 ARG CD 3.567 H A 0002 ASP CG
H A 0002 ASP C 2.433 H A 0003 HIS CA
H A 0002 ASP C 2.934 H A 0003 HIS C
H A 0002 ASP C 3.714 H A 0003 HIS CB
H A 0002 ASP C 3.610 C A 0007 ASP CG
H A 0003 HIS C 2.432 H A 0004 PHE CA
H A 0003 HIS C 3.027 H A 0004 PHE C
H A 0003 HIS C 2.987 H A 0004 PHE CB
H A 0003 HIS CD2 3.646 H A 0004 PHE CA
H A 0003 HIS CD2 3.379 H A 0004 PHE CB
H A 0003 HIS CD2 3.330 H A 0004 PHE CG
H A 0003 HIS CD2 2.999 H A 0004 PHE CD1
H A 0003 HIS CE1 3.768 H A 0004 PHE CB
H A 0003 HIS CE1 3.713 H A 0004 PHE CG
H A 0003 HIS CA 3.747 C A 0007 ASP CG
H A 0003 HIS C 3.579 C A 0007 ASP CG
H A 0004 PHE C 2.441 H A 0005 ALA CA
H A 0004 PHE C 3.158 H A 0005 ALA C
H A 0004 PHE C 2.900 H A 0005 ALA CB
H A 0005 ALA C 2.429 H A 0006 LEU CA
H A 0005 ALA C 3.732 H A 0006 LEU C
H A 0005 ALA C 2.989 H A 0006 LEU CB
H A 0005 ALA C 3.183 H A 0006 LEU CG
H A 0006 LEU C 2.444 C A 0007 ASP CA
H A 0006 LEU C 3.152 C A 0007 ASP C
H A 0006 LEU C 2.909 C A 0007 ASP CB
H A 0006 LEU C 3.050 C A 0007 ASP CG
H A 0006 LEU C 3.532 C A 0009 PRO CD
H A 0006 LEU CB 3.638 C A 0009 PRO CG
H A 0006 LEU CB 3.502 C A 0009 PRO CD
H A 0006 LEU CD1 3.374 C A 0009 PRO CD
C A 0007 ASP C 2.465 C A 0008 ARG CA
C A 0007 ASP C 2.894 C A 0008 ARG C
C A 0007 ASP C 3.269 C A 0008 ARG CB
C A 0007 ASP C 3.185 C A 0008 ARG CG
C A 0007 ASP C 3.210 C A 0009 PRO CD
C A 0008 ARG CA 2.895 C A 0009 PRO CD
C A 0008 ARG C 2.464 C A 0009 PRO CA
C A 0008 ARG C 3.158 C A 0009 PRO C
C A 0008 ARG C 3.637 C A 0009 PRO CB
C A 0008 ARG C 3.644 C A 0009 PRO CG
C A 0008 ARG C 2.499 C A 0009 PRO CD
C A 0009 PRO C 2.435 C A 0010 SER CA
C A 0009 PRO C 3.235 C A 0010 SER C
C A 0009 PRO C 3.657 C A 0010 SER CB
C A 0010 SER C 2.437 C A 0011 GLU CA
C A 0010 SER C 3.090 C A 0011 GLU C
C A 0010 SER C 2.929 C A 0011 GLU CB
C A 0010 SER C 3.188 C A 0011 GLU CG
C A 0010 SER C 3.009 C A 0011 GLU CD
C A 0010 SER CB 3.614 C A 0011 GLU CD
C A 0011 GLU C 2.435 C A 0012 THR CA
C A 0011 GLU C 3.570 C A 0012 THR C
C A 0011 GLU C 3.389 C A 0012 THR CB
C A 0011 GLU C 3.426 C A 0012 THR CG2
C A 0011 GLU CA 3.537 H A 0016 TYR CD1
C A 0011 GLU CA 3.597 H A 0016 TYR CE1
C A 0012 THR C 2.435 H A 0013 HIS CA
C A 0012 THR C 3.705 H A 0013 HIS C
C A 0012 THR C 3.095 H A 0013 HIS CB
C A 0012 THR C 3.482 H A 0013 HIS CG
C A 0012 THR C 3.650 H A 0013 HIS CD2
C A 0012 THR CB 3.799 H A 0013 HIS CD2
H A 0013 HIS C 2.434 H A 0014 ALA CA
H A 0013 HIS C 2.912 H A 0014 ALA C
H A 0013 HIS C 3.701 H A 0014 ALA CB
H A 0013 HIS CD2 3.648 H A 0016 TYR CB
H A 0013 HIS C 3.568 H A 0017 LEU CD1
H A 0014 ALA C 2.434 H A 0015 ASP CA
H A 0014 ALA C 2.908 H A 0015 ASP C
H A 0014 ALA C 3.708 H A 0015 ASP CB
H A 0014 ALA C 3.621 H A 0018 LEU CD2
H A 0015 ASP C 2.435 H A 0016 TYR CA
H A 0015 ASP C 3.264 H A 0016 TYR C
H A 0015 ASP C 3.644 H A 0016 TYR CB
H A 0015 ASP C 3.710 H A 0018 LEU CG
H A 0016 TYR C 2.435 H A 0017 LEU CA
H A 0016 TYR C 3.005 H A 0017 LEU C
H A 0016 TYR C 3.712 H A 0017 LEU CB
H A 0017 LEU C 2.443 H A 0018 LEU CA
H A 0017 LEU C 2.905 H A 0018 LEU C
H A 0017 LEU C 3.711 H A 0018 LEU CB
H A 0018 LEU C 2.433 C A 0019 ARG CA
H A 0018 LEU C 2.969 C A 0019 ARG C
H A 0018 LEU C 3.716 C A 0019 ARG CB
H A 0018 LEU CD2 3.134 C A 0023 VAL CG2
C A 0019 ARG C 2.434 C A 0020 THR CA
C A 0019 ARG C 3.585 C A 0020 THR C
C A 0019 ARG C 3.371 C A 0020 THR CB
C A 0019 ARG CD 3.487 C A 0020 THR CB
C A 0019 ARG CD 3.090 C A 0020 THR CG2
C A 0020 THR CA 3.794 C A 0021 GLY CA
C A 0020 THR C 2.418 C A 0021 GLY CA
C A 0020 THR C 2.960 C A 0021 GLY C
C A 0020 THR C 3.585 C A 0022 GLN CG
C A 0021 GLY CA 3.796 C A 0022 GLN CA
C A 0021 GLY C 2.435 C A 0022 GLN CA
C A 0021 GLY C 3.105 C A 0022 GLN C
C A 0021 GLY C 2.906 C A 0022 GLN CB
C A 0021 GLY C 3.054 C A 0022 GLN CG
C A 0022 GLN C 2.434 C A 0023 VAL CA
C A 0022 GLN C 3.225 C A 0023 VAL C
C A 0022 GLN C 3.686 C A 0023 VAL CB
C A 0023 VAL C 2.435 C A 0024 VAL CA
C A 0023 VAL C 2.949 C A 0024 VAL C
C A 0023 VAL C 3.734 C A 0024 VAL CB
C A 0024 VAL C 2.434 C A 0025 ASP CA
C A 0024 VAL C 2.950 C A 0025 ASP C
C A 0024 VAL C 3.713 C A 0025 ASP CB
C A 0024 VAL CG2 3.392 C A 0027 SER CA
C A 0025 ASP C 2.433 C A 0026 ILE CA
C A 0025 ASP C 3.583 C A 0026 ILE C
C A 0025 ASP C 3.398 C A 0026 ILE CB
C A 0025 ASP C 3.375 C A 0026 ILE CG2
C A 0026 ILE C 2.436 C A 0027 SER CA
C A 0026 ILE C 3.014 C A 0027 SER C
C A 0026 ILE C 3.000 C A 0027 SER CB
C A 0026 ILE CG1 3.212 C A 0028 ASP CG
C A 0026 ILE CD1 3.637 C A 0028 ASP CG
C A 0027 SER C 2.432 C A 0028 ASP CA
C A 0027 SER C 3.703 C A 0028 ASP C
C A 0027 SER C 3.107 C A 0028 ASP CB
C A 0028 ASP C 2.437 C A 0029 THR CA
C A 0028 ASP C 2.910 C A 0029 THR C
C A 0028 ASP C 3.107 C A 0029 THR CB
C A 0029 THR C 2.433 C A 0030 ILE CA
C A 0029 THR C 3.761 C A 0030 ILE C
C A 0029 THR C 2.989 C A 0030 ILE CB
C A 0030 ILE C 2.435 C A 0031 TYR CA
C A 0030 ILE C 3.139 C A 0031 TYR C
C A 0030 ILE C 3.696 C A 0031 TYR CB
C A 0030 ILE CG1 3.747 H A 0105 PHE CB
C A 0030 ILE CG1 3.623 H A 0105 PHE CG
C A 0030 ILE CG1 3.065 H A 0105 PHE CD2
C A 0030 ILE CG1 3.796 H A 0105 PHE CE2
C A 0030 ILE CD1 3.594 H A 0105 PHE CB
C A 0031 TYR CA 2.908 C A 0032 PRO CD
C A 0031 TYR C 2.469 C A 0032 PRO CA
C A 0031 TYR C 3.048 C A 0032 PRO C
C A 0031 TYR C 3.663 C A 0032 PRO CB
C A 0031 TYR C 3.629 C A 0032 PRO CG
C A 0031 TYR C 2.506 C A 0032 PRO CD
C A 0031 TYR CB 3.519 C A 0032 PRO CD
C A 0032 PRO C 2.435 C A 0033 ARG CA
C A 0032 PRO C 3.273 C A 0033 ARG C
C A 0032 PRO C 3.646 C A 0033 ARG CB
C A 0032 PRO CB 3.515 C A 0078 PHE CE2
C A 0033 ARG C 2.438 H A 0034 ASN CA
C A 0033 ARG C 3.717 H A 0034 ASN C
C A 0033 ARG C 3.029 H A 0034 ASN CB
C A 0033 ARG C 3.489 H A 0034 ASN CG
H A 0034 ASN CA 2.878 H A 0035 PRO CD
H A 0034 ASN C 2.470 H A 0035 PRO CA
H A 0034 ASN C 3.028 H A 0035 PRO C
H A 0034 ASN C 3.651 H A 0035 PRO CB
H A 0034 ASN C 3.633 H A 0035 PRO CG
H A 0034 ASN C 2.496 H A 0035 PRO CD
H A 0034 ASN C 3.482 C A 0078 PHE CD2
H A 0034 ASN CB 3.615 C A 0078 PHE CB
H A 0035 PRO C 2.436 H A 0036 ALA CA
H A 0035 PRO C 2.917 H A 0036 ALA C
H A 0035 PRO C 3.702 H A 0036 ALA CB
H A 0036 ALA C 2.434 H A 0037 MET CA
H A 0036 ALA C 3.530 H A 0037 MET C
H A 0036 ALA C 3.432 H A 0037 MET CB
H A 0036 ALA C 3.396 H A 0037 MET CG
H A 0037 MET C 2.434 H A 0038 TYR CA
H A 0037 MET C 3.165 H A 0038 TYR C
H A 0037 MET C 3.682 H A 0038 TYR CB
H A 0037 MET CE 3.517 H A 0042 ALA C
H A 0037 MET CB 3.472 H A 0043 ARG CG
H A 0037 MET CE 3.646 H A 0043 ARG CA
H A 0037 MET CE 3.564 H A 0046 SER CB
H A 0037 MET CG 3.674 E A 0067 TYR CB
H A 0038 TYR C 2.432 H A 0039 SER CA
H A 0038 TYR C 3.332 H A 0039 SER C
H A 0038 TYR C 3.601 H A 0039 SER CB
H A 0038 TYR CA 3.744 C A 0078 PHE CE2
H A 0038 TYR CA 3.572 C A 0078 PHE CZ
H A 0039 SER C 2.428 H A 0040 GLU CA
H A 0039 SER C 2.907 H A 0040 GLU C
H A 0039 SER C 3.707 H A 0040 GLU CB
H A 0040 GLU C 2.431 H A 0041 GLU CA
H A 0040 GLU C 2.940 H A 0041 GLU C
H A 0040 GLU C 3.713 H A 0041 GLU CB
H A 0041 GLU C 2.431 H A 0042 ALA CA
H A 0041 GLU C 2.966 H A 0042 ALA C
H A 0041 GLU C 3.706 H A 0042 ALA CB
H A 0042 ALA CA 3.795 H A 0043 ARG CA
H A 0042 ALA C 2.428 H A 0043 ARG CA
H A 0042 ALA C 2.932 H A 0043 ARG C
H A 0042 ALA C 3.712 H A 0043 ARG CB
H A 0043 ARG CA 3.797 H A 0044 LEU CA
H A 0043 ARG C 2.425 H A 0044 LEU CA
H A 0043 ARG C 2.918 H A 0044 LEU C
H A 0043 ARG C 3.711 H A 0044 LEU CB
H A 0043 ARG C 3.760 H A 0046 SER CB
H A 0043 ARG C 3.568 H A 0047 PHE CE2
H A 0043 ARG CB 3.131 H A 0062 ALA CB
H A 0043 ARG CD 3.423 H A 0062 ALA CA
H A 0043 ARG CD 3.660 H A 0062 ALA C
H A 0043 ARG CD 3.436 H A 0062 ALA CB
H A 0043 ARG CZ 3.559 C A 0078 PHE CE1
H A 0044 LEU CA 3.795 H A 0045 LYS CA
H A 0044 LEU C 2.426 H A 0045 LYS CA
H A 0044 LEU C 2.907 H A 0045 LYS C
H A 0044 LEU C 3.712 H A 0045 LYS CB
H A 0044 LEU CA 3.622 H A 0047 PHE CD2
H A 0044 LEU CD1 3.669 H A 0059 ARG CD
H A 0045 LYS CA 3.795 H A 0046 SER CA
H A 0045 LYS C 2.434 H A 0046 SER CA
H A 0045 LYS C 2.897 H A 0046 SER C
H A 0045 LYS C 3.709 H A 0046 SER CB
H A 0045 LYS CD 3.704 C A 0048 GLN CD
H A 0046 SER C 2.435 H A 0047 PHE CA
H A 0046 SER C 3.276 H A 0047 PHE C
H A 0046 SER C 3.657 H A 0047 PHE CB
H A 0046 SER C 3.653 E A 0068 TYR CB
H A 0047 PHE C 2.429 C A 0048 GLN CA
H A 0047 PHE C 2.901 C A 0048 GLN C
H A 0047 PHE C 3.711 C A 0048 GLN CB
H A 0047 PHE CB 3.724 H A 0058 PRO CB
H A 0047 PHE CG 3.555 H A 0058 PRO CB
H A 0047 PHE CD2 3.759 H A 0058 PRO C
H A 0047 PHE CD2 3.547 H A 0058 PRO CB
H A 0047 PHE CE2 3.455 H A 0058 PRO C
H A 0047 PHE CZ 3.696 H A 0058 PRO C
H A 0047 PHE CE1 3.517 H A 0061 LEU CB
H A 0047 PHE CE1 3.490 H A 0061 LEU CD1
H A 0047 PHE CZ 3.527 H A 0061 LEU CB
H A 0047 PHE CD1 3.601 E A 0068 TYR CB
C A 0048 GLN C 2.435 C A 0049 ASN CA
C A 0048 GLN C 3.112 C A 0049 ASN C
C A 0048 GLN C 2.899 C A 0049 ASN CB
C A 0049 ASN C 2.439 C A 0050 TRP CA
C A 0049 ASN C 3.056 C A 0050 TRP C
C A 0049 ASN C 3.703 C A 0050 TRP CB
C A 0050 TRP CA 2.945 C A 0051 PRO CD
C A 0050 TRP C 2.465 C A 0051 PRO CA
C A 0050 TRP C 3.028 C A 0051 PRO C
C A 0050 TRP C 3.668 C A 0051 PRO CB
C A 0050 TRP C 3.608 C A 0051 PRO CG
C A 0050 TRP C 2.512 C A 0051 PRO CD
C A 0050 TRP CD2 3.678 C A 0051 PRO CD
C A 0050 TRP CE3 3.573 C A 0051 PRO CD
C A 0050 TRP CE2 3.431 C A 0054 ALA CB
C A 0050 TRP CZ2 2.956 C A 0054 ALA CB
C A 0050 TRP CH2 3.403 C A 0054 ALA CB
C A 0050 TRP CG 3.743 H A 0058 PRO CB
C A 0050 TRP CD1 3.611 H A 0058 PRO CB
C A 0050 TRP CD1 3.563 H A 0058 PRO CG
C A 0050 TRP CD1 3.326 H A 0058 PRO CD
C A 0050 TRP CZ2 3.738 H A 0061 LEU CD1
C A 0051 PRO C 2.435 C A 0052 ASP CA
C A 0051 PRO C 3.418 C A 0052 ASP C
C A 0051 PRO C 3.555 C A 0052 ASP CB
C A 0051 PRO CG 3.704 C A 0054 ALA CB
C A 0052 ASP C 2.436 C A 0053 TYR CA
C A 0052 ASP C 3.584 C A 0053 TYR C
C A 0052 ASP C 3.394 C A 0053 TYR CB
C A 0053 TYR C 2.458 C A 0054 ALA CA
C A 0053 TYR C 2.886 C A 0054 ALA C
C A 0053 TYR C 3.697 C A 0054 ALA CB
C A 0054 ALA C 2.441 C A 0055 HIS CA
C A 0054 ALA C 3.701 C A 0055 HIS C
C A 0054 ALA C 2.917 C A 0055 HIS CB
C A 0054 ALA C 3.433 C A 0055 HIS CG
C A 0054 ALA C 3.754 C A 0055 HIS CD2
C A 0055 HIS CA 3.792 C A 0056 LEU CA
C A 0055 HIS C 2.430 C A 0056 LEU CA
C A 0055 HIS C 3.632 C A 0056 LEU C
C A 0055 HIS C 3.266 C A 0056 LEU CB
C A 0055 HIS C 3.295 C A 0056 LEU CG
C A 0055 HIS CG 3.743 C A 0087 TRP CB
C A 0055 HIS CD2 3.654 C A 0087 TRP C
C A 0055 HIS CD2 3.334 C A 0087 TRP CB
C A 0055 HIS CE1 3.520 C A 0087 TRP C
C A 0055 HIS CE1 3.083 C A 0088 GLU CA
C A 0055 HIS CE1 3.040 C A 0088 GLU C
C A 0055 HIS CE1 3.580 C A 0089 PRO CD
C A 0056 LEU C 2.435 H A 0057 THR CA
C A 0056 LEU C 3.094 H A 0057 THR C
C A 0056 LEU C 3.705 H A 0057 THR CB
C A 0056 LEU CD1 3.099 C A 0093 ALA CA
C A 0056 LEU CD1 3.414 C A 0093 ALA CB
H A 0057 THR CA 2.899 H A 0058 PRO CD
H A 0057 THR C 2.461 H A 0058 PRO CA
H A 0057 THR C 3.118 H A 0058 PRO C
H A 0057 THR C 3.648 H A 0058 PRO CB
H A 0057 THR C 3.641 H A 0058 PRO CG
H A 0057 THR C 2.500 H A 0058 PRO CD
H A 0057 THR CB 3.491 H A 0058 PRO CD
H A 0057 THR C 3.750 H A 0061 LEU CD1
H A 0058 PRO CA 3.778 H A 0059 ARG CA
H A 0058 PRO C 2.411 H A 0059 ARG CA
H A 0058 PRO C 2.921 H A 0059 ARG C
H A 0058 PRO C 3.706 H A 0059 ARG CB
H A 0058 PRO CA 3.454 H A 0061 LEU CD1
H A 0059 ARG C 2.448 H A 0060 GLU CA
H A 0059 ARG C 2.872 H A 0060 GLU C
H A 0059 ARG C 3.709 H A 0060 GLU CB
H A 0060 GLU C 2.431 H A 0061 LEU CA
H A 0060 GLU C 2.964 H A 0061 LEU C
H A 0060 GLU C 3.722 H A 0061 LEU CB
H A 0060 GLU CD 3.674 C A 0092 ARG CZ
H A 0061 LEU CA 3.788 H A 0062 ALA CA
H A 0061 LEU C 2.423 H A 0062 ALA CA
H A 0061 LEU C 2.894 H A 0062 ALA C
H A 0061 LEU C 3.701 H A 0062 ALA CB
H A 0061 LEU CD2 3.800 E A 0066 LEU CD1
H A 0061 LEU CD2 3.595 C A 0093 ALA CB
H A 0062 ALA CA 3.794 H A 0063 SER CA
H A 0062 ALA C 2.432 H A 0063 SER CA
H A 0062 ALA C 2.933 H A 0063 SER C
H A 0062 ALA C 3.715 H A 0063 SER CB
H A 0063 SER C 2.439 H A 0064 ALA CA
H A 0063 SER C 3.277 H A 0064 ALA C
H A 0063 SER C 3.634 H A 0064 ALA CB
H A 0064 ALA C 2.424 C A 0065 GLY CA
H A 0064 ALA C 3.152 C A 0065 GLY C
H A 0064 ALA CB 3.448 H A 0094 TRP CB
H A 0064 ALA CB 3.699 H A 0094 TRP CG
H A 0064 ALA C 3.747 H A 0106 PHE CE1
C A 0065 GLY CA 3.789 E A 0066 LEU CA
C A 0065 GLY C 2.430 E A 0066 LEU CA
C A 0065 GLY C 3.420 E A 0066 LEU C
C A 0065 GLY C 3.534 E A 0066 LEU CB
E A 0066 LEU CA 3.798 E A 0067 TYR CA
E A 0066 LEU C 2.430 E A 0067 TYR CA
E A 0066 LEU C 3.442 E A 0067 TYR C
E A 0066 LEU C 3.512 E A 0067 TYR CB
E A 0066 LEU CD1 3.581 E A 0075 VAL CG2
E A 0066 LEU CD2 3.415 E A 0075 VAL C
E A 0066 LEU CD2 3.495 E A 0075 VAL CB
E A 0066 LEU CD2 3.276 E A 0075 VAL CG2
E A 0066 LEU CD2 3.351 E A 0076 GLN CA
E A 0066 LEU CD2 3.060 E A 0076 GLN C
E A 0067 TYR C 2.435 E A 0068 TYR CA
E A 0067 TYR C 3.097 E A 0068 TYR C
E A 0067 TYR C 3.696 E A 0068 TYR CB
E A 0067 TYR CD1 3.534 E A 0076 GLN C
E A 0067 TYR CE1 3.503 E A 0076 GLN C
E A 0067 TYR CE1 3.714 E A 0076 GLN CB
E A 0067 TYR CD1 3.642 E A 0077 CYS C
E A 0067 TYR CE1 3.367 E A 0077 CYS C
E A 0067 TYR CD1 3.327 C A 0078 PHE CA
E A 0067 TYR CD1 3.238 C A 0078 PHE CB
E A 0067 TYR CE1 3.243 C A 0078 PHE CA
E A 0067 TYR CE1 3.634 C A 0078 PHE CB
E A 0068 TYR C 2.436 E A 0069 THR CA
E A 0068 TYR C 3.413 E A 0069 THR C
E A 0068 TYR C 3.553 E A 0069 THR CB
E A 0068 TYR CE1 3.602 E A 0070 GLY CA
E A 0068 TYR CE1 3.666 E A 0070 GLY C
E A 0068 TYR CE2 3.410 E A 0070 GLY CA
E A 0068 TYR CZ 3.222 E A 0070 GLY CA
E A 0068 TYR CZ 3.430 E A 0070 GLY C
E A 0068 TYR CE1 3.714 C A 0072 GLY C
E A 0069 THR C 2.421 E A 0070 GLY CA
E A 0069 THR C 3.078 E A 0070 GLY C
E A 0069 THR CG2 3.331 E A 0071 ILE CG1
E A 0069 THR CG2 3.362 E A 0071 ILE CD1
E A 0069 THR CG2 3.794 E A 0076 GLN CD
E A 0070 GLY C 2.433 E A 0071 ILE CA
E A 0070 GLY C 3.299 E A 0071 ILE C
E A 0070 GLY C 3.652 E A 0071 ILE CB
E A 0071 ILE CA 3.793 C A 0072 GLY CA
E A 0071 ILE C 2.418 C A 0072 GLY CA
E A 0071 ILE C 2.956 C A 0072 GLY C
E A 0071 ILE CG2 3.671 E A 0074 GLN CG
E A 0071 ILE CG2 3.241 E A 0074 GLN CD
C A 0072 GLY CA 3.795 C A 0073 ASP CA
C A 0072 GLY C 2.432 C A 0073 ASP CA
C A 0072 GLY C 3.359 C A 0073 ASP C
C A 0072 GLY C 3.586 C A 0073 ASP CB
C A 0073 ASP C 2.434 E A 0074 GLN CA
C A 0073 ASP C 3.327 E A 0074 GLN C
C A 0073 ASP C 3.612 E A 0074 GLN CB
E A 0074 GLN C 2.435 E A 0075 VAL CA
E A 0074 GLN C 3.452 E A 0075 VAL C
E A 0074 GLN C 3.534 E A 0075 VAL CB
E A 0074 GLN C 3.630 E A 0075 VAL CG1
E A 0074 GLN CG 3.168 C A 0085 LYS CB
E A 0074 GLN CD 3.048 C A 0085 LYS CB
E A 0075 VAL C 2.426 E A 0076 GLN CA
E A 0075 VAL C 3.597 E A 0076 GLN C
E A 0075 VAL C 3.327 E A 0076 GLN CB
E A 0075 VAL C 3.191 E A 0076 GLN CG
E A 0075 VAL CG2 3.711 C A 0087 TRP CE2
E A 0075 VAL CG2 3.274 C A 0087 TRP CZ2
E A 0076 GLN CA 3.788 E A 0077 CYS CA
E A 0076 GLN C 2.422 E A 0077 CYS CA
E A 0076 GLN C 3.215 E A 0077 CYS C
E A 0076 GLN C 3.637 E A 0077 CYS CB
E A 0076 GLN CA 3.749 E A 0083 LYS CA
E A 0076 GLN CB 3.535 E A 0083 LYS CA
E A 0076 GLN CB 3.714 E A 0083 LYS CB
E A 0076 GLN CG 3.620 E A 0083 LYS CA
E A 0076 GLN CG 3.335 E A 0083 LYS CB
E A 0076 GLN CG 3.635 E A 0083 LYS CG
E A 0076 GLN CD 3.681 E A 0083 LYS CB
E A 0076 GLN CD 3.703 E A 0083 LYS CD
E A 0077 CYS C 2.448 C A 0078 PHE CA
E A 0077 CYS C 3.149 C A 0078 PHE C
E A 0077 CYS C 3.702 C A 0078 PHE CB
E A 0077 CYS CB 3.225 H A 0097 HIS CE1
C A 0078 PHE C 2.428 C A 0079 ALA CA
C A 0078 PHE C 3.182 C A 0079 ALA C
C A 0078 PHE C 3.667 C A 0079 ALA CB
C A 0079 ALA C 2.436 C A 0080 CYS CA
C A 0079 ALA C 3.233 C A 0080 CYS C
C A 0079 ALA C 3.666 C A 0080 CYS CB
C A 0079 ALA CB 3.554 H A 0105 PHE CE2
C A 0079 ALA CB 3.390 H A 0105 PHE CZ
C A 0080 CYS CA 3.797 C A 0081 GLY CA
C A 0080 CYS C 2.414 C A 0081 GLY CA
C A 0080 CYS C 3.333 C A 0081 GLY C
C A 0081 GLY CA 3.768 E A 0082 GLY CA
C A 0081 GLY C 2.414 E A 0082 GLY CA
C A 0081 GLY C 3.476 E A 0082 GLY C
E A 0082 GLY CA 3.790 E A 0083 LYS CA
E A 0082 GLY C 2.433 E A 0083 LYS CA
E A 0082 GLY C 3.276 E A 0083 LYS C
E A 0082 GLY C 3.634 E A 0083 LYS CB
E A 0082 GLY CA 3.104 H A 0101 PHE CD2
E A 0082 GLY CA 3.449 H A 0101 PHE CE2
E A 0083 LYS C 2.426 E A 0084 LEU CA
E A 0083 LYS C 3.639 E A 0084 LEU C
E A 0083 LYS C 3.255 E A 0084 LEU CB
E A 0083 LYS C 3.549 E A 0084 LEU CG
E A 0084 LEU C 2.436 C A 0085 LYS CA
E A 0084 LEU C 3.557 C A 0085 LYS C
E A 0084 LEU C 3.397 C A 0085 LYS CB
E A 0084 LEU CB 3.658 C A 0087 TRP CE2
E A 0084 LEU CB 3.072 C A 0087 TRP CZ2
E A 0084 LEU CB 3.633 C A 0087 TRP CH2
E A 0084 LEU CD1 3.442 C A 0087 TRP CH2
E A 0084 LEU CD1 3.169 H A 0096 GLU C
E A 0084 LEU CD1 3.745 H A 0096 GLU CB
E A 0084 LEU CD1 3.730 H A 0096 GLU CD
E A 0084 LEU CD1 3.414 H A 0097 HIS CA
E A 0084 LEU CD2 3.779 H A 0100 HIS CB
E A 0084 LEU CD2 3.528 H A 0100 HIS CG
E A 0084 LEU CD2 3.408 H A 0100 HIS CD2
C A 0085 LYS C 2.433 C A 0086 ASN CA
C A 0085 LYS C 3.107 C A 0086 ASN C
C A 0085 LYS C 2.899 C A 0086 ASN CB
C A 0086 ASN C 2.437 C A 0087 TRP CA
C A 0086 ASN C 2.977 C A 0087 TRP C
C A 0086 ASN C 3.715 C A 0087 TRP CB
C A 0087 TRP C 2.436 C A 0088 GLU CA
C A 0087 TRP C 3.616 C A 0088 GLU C
C A 0087 TRP C 3.317 C A 0088 GLU CB
C A 0087 TRP C 3.201 C A 0088 GLU CG
C A 0087 TRP C 3.521 C A 0088 GLU CD
C A 0087 TRP CZ3 3.174 H A 0096 GLU CB
C A 0088 GLU CA 2.906 C A 0089 PRO CD
C A 0088 GLU C 2.464 C A 0089 PRO CA
C A 0088 GLU C 3.123 C A 0089 PRO C
C A 0088 GLU C 3.661 C A 0089 PRO CB
C A 0088 GLU C 3.588 C A 0089 PRO CG
C A 0088 GLU C 2.501 C A 0089 PRO CD
C A 0088 GLU CB 3.265 C A 0089 PRO CD
C A 0089 PRO CA 3.791 C A 0090 GLY CA
C A 0089 PRO C 2.417 C A 0090 GLY CA
C A 0089 PRO C 3.484 C A 0090 GLY C
C A 0090 GLY CA 3.794 C A 0091 ASP CA
C A 0090 GLY C 2.434 C A 0091 ASP CA
C A 0090 GLY C 3.143 C A 0091 ASP C
C A 0090 GLY C 3.688 C A 0091 ASP CB
C A 0091 ASP C 2.434 C A 0092 ARG CA
C A 0091 ASP C 2.909 C A 0092 ARG C
C A 0091 ASP C 3.710 C A 0092 ARG CB
C A 0091 ASP CG 3.752 H A 0096 GLU CG
C A 0092 ARG C 2.466 C A 0093 ALA CA
C A 0092 ARG C 2.890 C A 0093 ALA C
C A 0092 ARG C 3.685 C A 0093 ALA CB
C A 0092 ARG CA 3.641 H A 0095 SER CB
C A 0092 ARG C 3.680 H A 0095 SER CB
C A 0092 ARG CB 3.026 H A 0095 SER CB
C A 0093 ALA C 2.433 H A 0094 TRP CA
C A 0093 ALA C 3.199 H A 0094 TRP C
C A 0093 ALA C 3.700 H A 0094 TRP CB
H A 0094 TRP C 2.426 H A 0095 SER CA
H A 0094 TRP C 2.913 H A 0095 SER C
H A 0094 TRP C 3.714 H A 0095 SER CB
H A 0094 TRP CA 3.493 H A 0097 HIS CB
H A 0094 TRP C 3.664 H A 0097 HIS CB
H A 0094 TRP C 3.480 H A 0098 ARG CD
H A 0094 TRP CE3 3.524 H A 0107 VAL CG2
H A 0094 TRP CZ3 3.575 H A 0107 VAL CA
H A 0094 TRP CZ3 3.759 H A 0107 VAL C
H A 0094 TRP CZ3 3.744 H A 0107 VAL CG1
H A 0095 SER C 2.441 H A 0096 GLU CA
H A 0095 SER C 3.230 H A 0096 GLU C
H A 0095 SER C 3.667 H A 0096 GLU CB
H A 0095 SER CA 3.294 H A 0098 ARG CD
H A 0095 SER C 3.511 H A 0098 ARG CD
H A 0096 GLU C 2.441 H A 0097 HIS CA
H A 0096 GLU C 3.017 H A 0097 HIS C
H A 0096 GLU C 3.703 H A 0097 HIS CB
H A 0097 HIS C 2.436 H A 0098 ARG CA
H A 0097 HIS C 3.112 H A 0098 ARG C
H A 0097 HIS C 3.725 H A 0098 ARG CB
H A 0097 HIS CE1 3.790 H A 0104 CYS CB
H A 0098 ARG C 2.433 H A 0099 ARG CA
H A 0098 ARG C 2.991 H A 0099 ARG C
H A 0098 ARG C 3.716 H A 0099 ARG CB
H A 0098 ARG CA 3.704 H A 0101 PHE C
H A 0098 ARG C 3.719 H A 0101 PHE C
H A 0098 ARG CA 3.745 C A 0102 PRO CA
H A 0098 ARG C 3.711 C A 0102 PRO CA
H A 0098 ARG CG 3.498 H A 0107 VAL CG1
H A 0098 ARG CG 3.408 H A 0107 VAL CG2
H A 0099 ARG C 2.436 H A 0100 HIS CA
H A 0099 ARG C 3.297 H A 0100 HIS C
H A 0099 ARG C 3.633 H A 0100 HIS CB
H A 0100 HIS C 2.443 H A 0101 PHE CA
H A 0100 HIS C 3.650 H A 0101 PHE C
H A 0100 HIS C 3.243 H A 0101 PHE CB
H A 0100 HIS C 3.366 H A 0101 PHE CG
H A 0100 HIS C 3.627 H A 0101 PHE CD1
H A 0100 HIS C 3.722 C A 0102 PRO CD
H A 0101 PHE CA 2.873 C A 0102 PRO CD
H A 0101 PHE C 2.469 C A 0102 PRO CA
H A 0101 PHE C 3.224 C A 0102 PRO C
H A 0101 PHE C 3.630 C A 0102 PRO CB
H A 0101 PHE C 3.646 C A 0102 PRO CG
H A 0101 PHE C 2.497 C A 0102 PRO CD
C A 0102 PRO C 2.432 C A 0103 ASN CA
C A 0102 PRO C 3.289 C A 0103 ASN C
C A 0102 PRO C 3.635 C A 0103 ASN CB
C A 0103 ASN C 2.434 H A 0104 CYS CA
C A 0103 ASN C 3.186 H A 0104 CYS C
C A 0103 ASN C 3.672 H A 0104 CYS CB
H A 0104 CYS C 2.442 H A 0105 PHE CA
H A 0104 CYS C 3.028 H A 0105 PHE C
H A 0104 CYS C 3.726 H A 0105 PHE CB
H A 0104 CYS CB 3.783 H A 0107 VAL CG2
H A 0105 PHE C 2.434 H A 0106 PHE CA
H A 0105 PHE C 3.159 H A 0106 PHE C
H A 0105 PHE C 3.687 H A 0106 PHE CB
H A 0106 PHE C 2.439 H A 0107 VAL CA
H A 0106 PHE C 2.923 H A 0107 VAL C
H A 0106 PHE C 3.715 H A 0107 VAL CB
H A 0106 PHE CD2 3.534 C A 0111 ASN CG
H A 0106 PHE CE2 3.313 C A 0111 ASN CG
H A 0107 VAL C 2.447 H A 0108 LEU CA
H A 0107 VAL C 2.986 H A 0108 LEU C
H A 0107 VAL C 3.717 H A 0108 LEU CB
H A 0108 LEU C 2.424 H A 0109 GLY CA
H A 0108 LEU C 3.194 H A 0109 GLY C
H A 0109 GLY C 2.444 H A 0110 ARG CA
H A 0109 GLY C 3.122 H A 0110 ARG C
H A 0109 GLY C 2.937 H A 0110 ARG CB
H A 0110 ARG C 2.475 C A 0111 ASN CA
H A 0110 ARG C 3.285 C A 0111 ASN C
H A 0110 ARG C 2.900 C A 0111 ASN CB
H A 0110 ARG C 3.531 C A 0111 ASN CG
H A 0110 ARG CB 3.650 C A 0114 ILE CD1
H A 0110 ARG CG 3.509 C A 0114 ILE CD1
C A 0111 ASN C 2.442 C A 0112 LEU CA
C A 0111 ASN C 3.141 C A 0112 LEU C
C A 0111 ASN C 2.909 C A 0112 LEU CB
C A 0111 ASN C 3.455 C A 0112 LEU CG
C A 0112 LEU C 2.437 C A 0113 ASN CA
C A 0112 LEU C 2.911 C A 0113 ASN C
C A 0112 LEU C 3.713 C A 0113 ASN CB
C A 0112 LEU CD1 3.591 C A 0113 ASN CA
C A 0112 LEU CD1 3.726 C A 0113 ASN CB
C A 0112 LEU CG 3.415 C A 0114 ILE CG2
C A 0112 LEU CD1 3.303 C A 0114 ILE CG2
C A 0112 LEU CD2 3.509 C A 0114 ILE CG2
C A 0113 ASN C 2.476 C A 0114 ILE CA
C A 0113 ASN C 2.895 C A 0114 ILE C
C A 0113 ASN C 3.333 C A 0114 ILE CB
C A 0113 ASN C 3.315 C A 0114 ILE CG1
C A 0114 ILE C 2.435 C A 0115 ARG CA
C A 0114 ILE C 2.977 C A 0115 ARG C
C A 0114 ILE C 3.716 C A 0115 ARG CB
C A 0115 ARG C 2.440 C A 0116 SER CA
C A 0115 ARG C 3.137 C A 0116 SER C
C A 0115 ARG C 2.899 C A 0116 SER CB
C A 0116 SER C 2.432 C A 0117 GLU CA
C A 0116 SER C 2.997 C A 0117 GLU C
C A 0116 SER C 3.713 C A 0117 GLU CB
CHARGE_ATTR 2.00 12.00 133
H A 0002 ASP OD1 4.926 C A 0001 ARG NH1
H A 0002 ASP OD1 6.040 C A 0001 ARG NH2
H A 0002 ASP OD2 6.064 C A 0001 ARG NH1
H A 0002 ASP OD2 6.414 C A 0001 ARG NH2
H A 0002 ASP OD1 8.284 H A 0003 HIS ND1
H A 0002 ASP OD1 9.323 H A 0003 HIS NE2
H A 0002 ASP OD2 9.516 H A 0003 HIS ND1
H A 0002 ASP OD2 10.62 H A 0003 HIS NE2
C A 0007 ASP OD1 10.46 C A 0001 ARG NH1
C A 0007 ASP OD1 11.98 C A 0001 ARG NH2
C A 0007 ASP OD2 9.935 C A 0001 ARG NH1
C A 0007 ASP OD2 11.10 C A 0001 ARG NH2
C A 0007 ASP OD1 2.690 H A 0003 HIS ND1
C A 0007 ASP OD1 4.569 H A 0003 HIS NE2
C A 0007 ASP OD2 4.807 H A 0003 HIS ND1
C A 0007 ASP OD2 6.502 H A 0003 HIS NE2
C A 0007 ASP OD1 10.25 C A 0008 ARG NH1
C A 0007 ASP OD1 10.37 C A 0008 ARG NH2
C A 0007 ASP OD2 10.66 C A 0008 ARG NH1
C A 0007 ASP OD2 11.05 C A 0008 ARG NH2
C A 0011 GLU OE1 7.682 C A 0008 ARG NH1
C A 0011 GLU OE1 8.664 C A 0008 ARG NH2
C A 0011 GLU OE2 9.177 C A 0008 ARG NH1
C A 0011 GLU OE2 10.43 C A 0008 ARG NH2
C A 0011 GLU OE1 11.62 H A 0013 HIS NE2
C A 0011 GLU OE2 11.99 H A 0013 HIS NE2
C A 0011 GLU OE1 10.84 C A 0019 ARG NH1
C A 0011 GLU OE1 10.10 C A 0019 ARG NH2
C A 0011 GLU OE2 9.020 C A 0019 ARG NH1
C A 0011 GLU OE2 8.071 C A 0019 ARG NH2
H A 0015 ASP OD1 11.43 C A 0008 ARG NH1
H A 0015 ASP OD1 4.169 H A 0013 HIS ND1
H A 0015 ASP OD1 4.456 H A 0013 HIS NE2
H A 0015 ASP OD2 5.912 H A 0013 HIS ND1
H A 0015 ASP OD2 5.532 H A 0013 HIS NE2
C A 0028 ASP OD1 11.77 C A 0033 ARG NH2
C A 0028 ASP OD2 10.65 C A 0033 ARG NH2
H A 0040 GLU OE1 5.307 H A 0043 ARG NH1
H A 0040 GLU OE1 6.844 H A 0043 ARG NH2
H A 0040 GLU OE2 5.985 H A 0043 ARG NH1
H A 0040 GLU OE2 7.942 H A 0043 ARG NH2
H A 0040 GLU OE1 7.246 H A 0059 ARG NH1
H A 0040 GLU OE1 8.417 H A 0059 ARG NH2
H A 0040 GLU OE2 5.787 H A 0059 ARG NH1
H A 0040 GLU OE2 6.862 H A 0059 ARG NH2
H A 0040 GLU OE1 11.43 C A 0092 ARG NH1
H A 0040 GLU OE2 10.06 C A 0092 ARG NH1
H A 0040 GLU OE2 10.83 C A 0092 ARG NH2
H A 0040 GLU OE1 8.660 H A 0110 ARG NH1
H A 0040 GLU OE1 6.705 H A 0110 ARG NH2
H A 0040 GLU OE2 8.291 H A 0110 ARG NH1
H A 0040 GLU OE2 6.113 H A 0110 ARG NH2
H A 0041 GLU OE1 10.71 H A 0043 ARG NH1
H A 0041 GLU OE1 11.68 H A 0043 ARG NH2
H A 0041 GLU OE2 11.79 H A 0043 ARG NH1
H A 0041 GLU OE1 9.661 H A 0045 LYS NZ
H A 0041 GLU OE2 10.93 H A 0045 LYS NZ
H A 0041 GLU OE1 4.411 H A 0059 ARG NH1
H A 0041 GLU OE1 6.082 H A 0059 ARG NH2
H A 0041 GLU OE2 5.428 H A 0059 ARG NH1
H A 0041 GLU OE2 6.569 H A 0059 ARG NH2
H A 0060 GLU OE2 11.70 C A 0055 HIS ND1
H A 0060 GLU OE1 10.77 H A 0059 ARG NH1
H A 0060 GLU OE1 10.69 H A 0059 ARG NH2
H A 0060 GLU OE1 4.241 C A 0092 ARG NH1
H A 0060 GLU OE1 4.588 C A 0092 ARG NH2
H A 0060 GLU OE2 2.767 C A 0092 ARG NH1
H A 0060 GLU OE2 3.476 C A 0092 ARG NH2
H A 0060 GLU OE2 11.44 H A 0098 ARG NH1
H A 0060 GLU OE1 8.291 H A 0110 ARG NH1
H A 0060 GLU OE1 7.348 H A 0110 ARG NH2
H A 0060 GLU OE2 7.800 H A 0110 ARG NH1
H A 0060 GLU OE2 7.471 H A 0110 ARG NH2
C A 0073 ASP OD1 7.457 C A 0055 HIS ND1
C A 0073 ASP OD1 5.907 C A 0055 HIS NE2
C A 0073 ASP OD2 6.248 C A 0055 HIS ND1
C A 0073 ASP OD2 4.641 C A 0055 HIS NE2
C A 0073 ASP OD1 9.397 E A 0083 LYS NZ
C A 0073 ASP OD2 11.56 E A 0083 LYS NZ
C A 0073 ASP OD1 10.05 C A 0085 LYS NZ
C A 0088 GLU OE1 7.301 C A 0055 HIS ND1
C A 0088 GLU OE1 6.937 C A 0055 HIS NE2
C A 0088 GLU OE2 7.626 C A 0055 HIS ND1
C A 0088 GLU OE2 6.640 C A 0055 HIS NE2
C A 0088 GLU OE2 10.75 C A 0085 LYS NZ
C A 0088 GLU OE1 6.666 H A 0099 ARG NH1
C A 0088 GLU OE1 8.737 H A 0099 ARG NH2
C A 0088 GLU OE2 8.378 H A 0099 ARG NH1
C A 0088 GLU OE2 10.54 H A 0099 ARG NH2
C A 0088 GLU OE1 8.506 H A 0100 HIS ND1
C A 0088 GLU OE1 8.319 H A 0100 HIS NE2
C A 0088 GLU OE2 8.337 H A 0100 HIS ND1
C A 0088 GLU OE2 7.623 H A 0100 HIS NE2
C A 0091 ASP OD1 9.173 C A 0055 HIS ND1
C A 0091 ASP OD1 9.884 C A 0055 HIS NE2
C A 0091 ASP OD2 8.397 C A 0055 HIS ND1
C A 0091 ASP OD2 8.681 C A 0055 HIS NE2
C A 0091 ASP OD1 10.81 C A 0092 ARG NH1
C A 0091 ASP OD1 11.75 C A 0092 ARG NH2
C A 0091 ASP OD1 11.24 H A 0097 HIS ND1
C A 0091 ASP OD1 10.34 H A 0098 ARG NH1
C A 0091 ASP OD1 9.921 H A 0098 ARG NH2
C A 0091 ASP OD2 11.87 H A 0098 ARG NH2
C A 0091 ASP OD1 2.807 H A 0099 ARG NH1
C A 0091 ASP OD1 4.778 H A 0099 ARG NH2
C A 0091 ASP OD2 3.836 H A 0099 ARG NH1
C A 0091 ASP OD2 6.037 H A 0099 ARG NH2
C A 0091 ASP OD1 7.726 H A 0100 HIS ND1
C A 0091 ASP OD1 8.885 H A 0100 HIS NE2
C A 0091 ASP OD2 7.223 H A 0100 HIS ND1
C A 0091 ASP OD2 7.865 H A 0100 HIS NE2
H A 0096 GLU OE1 8.641 C A 0055 HIS ND1
H A 0096 GLU OE1 8.327 C A 0055 HIS NE2
H A 0096 GLU OE2 10.68 C A 0055 HIS ND1
H A 0096 GLU OE2 10.23 C A 0055 HIS NE2
H A 0096 GLU OE1 9.002 C A 0085 LYS NZ
H A 0096 GLU OE2 8.487 C A 0085 LYS NZ
H A 0096 GLU OE1 9.797 H A 0097 HIS ND1
H A 0096 GLU OE1 10.50 H A 0097 HIS NE2
H A 0096 GLU OE2 10.05 H A 0097 HIS ND1
H A 0096 GLU OE2 10.38 H A 0097 HIS NE2
H A 0096 GLU OE1 7.019 H A 0099 ARG NH1
H A 0096 GLU OE1 9.260 H A 0099 ARG NH2
H A 0096 GLU OE2 6.808 H A 0099 ARG NH1
H A 0096 GLU OE2 8.930 H A 0099 ARG NH2
H A 0096 GLU OE1 5.318 H A 0100 HIS ND1
H A 0096 GLU OE1 5.570 H A 0100 HIS NE2
H A 0096 GLU OE2 3.241 H A 0100 HIS ND1
H A 0096 GLU OE2 3.468 H A 0100 HIS NE2
C A 0117 GLU OE1 3.849 C A 0115 ARG NH1
C A 0117 GLU OE1 5.246 C A 0115 ARG NH2
C A 0117 GLU OE2 2.756 C A 0115 ARG NH1
C A 0117 GLU OE2 3.668 C A 0115 ARG NH2
CHARGE_REPU 2.00 12.00 102
H A 0002 ASP OD1 6.320 C A 0007 ASP OD1
H A 0002 ASP OD1 5.406 C A 0007 ASP OD2
H A 0002 ASP OD2 7.276 C A 0007 ASP OD1
H A 0002 ASP OD2 5.764 C A 0007 ASP OD2
H A 0003 HIS ND1 9.574 C A 0008 ARG NH1
H A 0003 HIS ND1 9.269 C A 0008 ARG NH2
H A 0003 HIS NE2 9.512 C A 0008 ARG NH1
H A 0003 HIS NE2 8.700 C A 0008 ARG NH2
C A 0008 ARG NH1 7.533 H A 0013 HIS ND1
C A 0008 ARG NH1 7.875 H A 0013 HIS NE2
C A 0008 ARG NH2 9.314 H A 0013 HIS ND1
C A 0008 ARG NH2 9.947 H A 0013 HIS NE2
C A 0025 ASP OD1 7.044 C A 0028 ASP OD1
C A 0025 ASP OD1 8.624 C A 0028 ASP OD2
C A 0025 ASP OD2 6.190 C A 0028 ASP OD1
C A 0025 ASP OD2 7.823 C A 0028 ASP OD2
C A 0033 ARG NH1 11.73 E A 0083 LYS NZ
C A 0033 ARG NH1 11.86 H A 0097 HIS ND1
C A 0033 ARG NH1 10.14 H A 0097 HIS NE2
C A 0033 ARG NH2 10.19 H A 0097 HIS NE2
H A 0040 GLU OE1 9.016 H A 0041 GLU OE1
H A 0040 GLU OE1 9.425 H A 0041 GLU OE2
H A 0040 GLU OE2 8.435 H A 0041 GLU OE1
H A 0040 GLU OE2 9.159 H A 0041 GLU OE2
H A 0040 GLU OE1 11.21 H A 0060 GLU OE1
H A 0040 GLU OE2 9.287 H A 0060 GLU OE1
H A 0040 GLU OE2 10.57 H A 0060 GLU OE2
H A 0043 ARG NH1 10.07 H A 0059 ARG NH1
H A 0043 ARG NH1 11.92 H A 0059 ARG NH2
H A 0043 ARG NH2 11.76 H A 0059 ARG NH1
H A 0043 ARG NH1 11.45 C A 0092 ARG NH1
H A 0043 ARG NH1 9.931 H A 0097 HIS ND1
H A 0043 ARG NH1 10.89 H A 0097 HIS NE2
H A 0043 ARG NH2 10.47 H A 0097 HIS ND1
H A 0043 ARG NH2 10.99 H A 0097 HIS NE2
H A 0043 ARG NH1 8.691 H A 0110 ARG NH1
H A 0043 ARG NH1 7.671 H A 0110 ARG NH2
H A 0043 ARG NH2 10.37 H A 0110 ARG NH1
H A 0043 ARG NH2 9.605 H A 0110 ARG NH2
C A 0055 HIS ND1 11.79 H A 0099 ARG NH1
H A 0059 ARG NH1 11.19 H A 0110 ARG NH2
H A 0059 ARG NH2 11.81 H A 0110 ARG NH2
H A 0060 GLU OE2 11.37 C A 0091 ASP OD1
C A 0073 ASP OD1 10.47 C A 0088 GLU OE1
C A 0073 ASP OD1 9.147 C A 0088 GLU OE2
C A 0073 ASP OD2 10.39 C A 0088 GLU OE1
C A 0073 ASP OD2 9.267 C A 0088 GLU OE2
C A 0073 ASP OD1 11.98 C A 0091 ASP OD2
C A 0073 ASP OD1 9.292 H A 0096 GLU OE1
C A 0073 ASP OD1 10.89 H A 0096 GLU OE2
C A 0073 ASP OD2 10.16 H A 0096 GLU OE1
C A 0073 ASP OD2 11.91 H A 0096 GLU OE2
E A 0083 LYS NZ 5.175 C A 0085 LYS NZ
C A 0085 LYS NZ 8.988 H A 0100 HIS ND1
C A 0085 LYS NZ 7.533 H A 0100 HIS NE2
C A 0088 GLU OE1 5.265 C A 0091 ASP OD1
C A 0088 GLU OE1 3.143 C A 0091 ASP OD2
C A 0088 GLU OE2 6.998 C A 0091 ASP OD1
C A 0088 GLU OE2 4.863 C A 0091 ASP OD2
C A 0088 GLU OE1 5.075 H A 0096 GLU OE1
C A 0088 GLU OE1 5.829 H A 0096 GLU OE2
C A 0088 GLU OE2 4.937 H A 0096 GLU OE1
C A 0088 GLU OE2 5.560 H A 0096 GLU OE2
C A 0091 ASP OD1 5.304 H A 0096 GLU OE1
C A 0091 ASP OD1 5.965 H A 0096 GLU OE2
C A 0091 ASP OD2 4.346 H A 0096 GLU OE1
C A 0091 ASP OD2 4.981 H A 0096 GLU OE2
C A 0092 ARG NH1 10.07 H A 0097 HIS ND1
C A 0092 ARG NH2 11.96 H A 0097 HIS ND1
C A 0092 ARG NH1 8.861 H A 0098 ARG NH1
C A 0092 ARG NH1 10.17 H A 0098 ARG NH2
C A 0092 ARG NH2 9.339 H A 0098 ARG NH1
C A 0092 ARG NH2 10.36 H A 0098 ARG NH2
C A 0092 ARG NH1 5.330 H A 0110 ARG NH1
C A 0092 ARG NH1 5.591 H A 0110 ARG NH2
C A 0092 ARG NH2 5.876 H A 0110 ARG NH1
C A 0092 ARG NH2 6.140 H A 0110 ARG NH2
H A 0097 HIS ND1 7.776 H A 0098 ARG NH1
H A 0097 HIS ND1 9.570 H A 0098 ARG NH2
H A 0097 HIS NE2 8.888 H A 0098 ARG NH1
H A 0097 HIS NE2 10.53 H A 0098 ARG NH2
H A 0097 HIS ND1 9.954 H A 0100 HIS ND1
H A 0097 HIS ND1 11.47 H A 0100 HIS NE2
H A 0097 HIS NE2 9.752 H A 0100 HIS ND1
H A 0097 HIS NE2 11.15 H A 0100 HIS NE2
H A 0097 HIS ND1 9.009 H A 0110 ARG NH1
H A 0097 HIS ND1 10.26 H A 0110 ARG NH2
H A 0097 HIS NE2 10.78 H A 0110 ARG NH1
H A 0098 ARG NH1 10.07 H A 0099 ARG NH1
H A 0098 ARG NH1 9.714 H A 0099 ARG NH2
H A 0098 ARG NH2 9.076 H A 0099 ARG NH1
H A 0098 ARG NH2 8.281 H A 0099 ARG NH2
H A 0098 ARG NH1 11.88 H A 0100 HIS ND1
H A 0098 ARG NH2 11.72 H A 0100 HIS ND1
H A 0098 ARG NH1 7.434 H A 0110 ARG NH1
H A 0098 ARG NH1 9.693 H A 0110 ARG NH2
H A 0098 ARG NH2 9.387 H A 0110 ARG NH1
H A 0098 ARG NH2 11.63 H A 0110 ARG NH2
H A 0099 ARG NH1 7.482 H A 0100 HIS ND1
H A 0099 ARG NH1 8.851 H A 0100 HIS NE2
H A 0099 ARG NH2 9.095 H A 0100 HIS ND1
H A 0099 ARG NH2 10.62 H A 0100 HIS NE2
HB_MM 2.00 3.20 190
H A 0002 ASP N 2.249 C A 0001 ARG O
H A 0003 HIS N 2.611 C A 0001 ARG O
H A 0003 HIS N 2.250 H A 0002 ASP O
H A 0004 PHE N 2.247 H A 0003 HIS O
H A 0005 ALA N 2.961 H A 0002 ASP O
H A 0005 ALA N 3.008 H A 0003 HIS O
H A 0005 ALA N 2.252 H A 0004 PHE O
H A 0006 LEU N 3.081 H A 0003 HIS O
H A 0006 LEU N 3.177 H A 0004 PHE O
H A 0006 LEU N 2.245 H A 0005 ALA O
C A 0007 ASP N 2.867 H A 0003 HIS O
C A 0007 ASP N 2.251 H A 0006 LEU O
C A 0008 ARG N 2.265 C A 0007 ASP O
C A 0009 PRO N 2.975 C A 0007 ASP O
C A 0009 PRO N 2.251 C A 0008 ARG O
C A 0010 SER N 2.251 C A 0009 PRO O
C A 0011 GLU N 2.251 C A 0010 SER O
C A 0012 THR N 2.252 C A 0011 GLU O
H A 0013 HIS N 2.250 C A 0012 THR O
H A 0014 ALA N 2.250 H A 0013 HIS O
H A 0015 ASP N 2.250 H A 0014 ALA O
H A 0016 TYR N 2.739 H A 0013 HIS O
H A 0016 TYR N 2.857 H A 0014 ALA O
H A 0016 TYR N 2.250 H A 0015 ASP O
H A 0017 LEU N 2.609 H A 0013 HIS O
H A 0017 LEU N 2.857 H A 0014 ALA O
H A 0017 LEU N 2.250 H A 0016 TYR O
H A 0018 LEU N 2.859 H A 0014 ALA O
H A 0018 LEU N 3.085 H A 0016 TYR O
H A 0018 LEU N 2.253 H A 0017 LEU O
C A 0019 ARG N 3.190 H A 0016 TYR O
C A 0019 ARG N 2.745 H A 0017 LEU O
C A 0019 ARG N 2.249 H A 0018 LEU O
C A 0020 THR N 2.621 H A 0017 LEU O
C A 0020 THR N 3.028 H A 0018 LEU O
C A 0020 THR N 2.250 C A 0019 ARG O
C A 0021 GLY N 2.593 H A 0017 LEU O
C A 0021 GLY N 2.250 C A 0020 THR O
C A 0022 GLN N 2.250 C A 0021 GLY O
C A 0023 VAL N 2.250 C A 0022 GLN O
C A 0024 VAL N 2.250 C A 0023 VAL O
C A 0025 ASP N 2.859 C A 0023 VAL O
C A 0025 ASP N 2.250 C A 0024 VAL O
C A 0026 ILE N 2.250 C A 0025 ASP O
C A 0027 SER N 2.250 C A 0026 ILE O
C A 0028 ASP N 2.249 C A 0027 SER O
C A 0029 THR N 2.250 C A 0028 ASP O
C A 0030 ILE N 2.250 C A 0029 THR O
C A 0031 TYR N 2.244 C A 0030 ILE O
C A 0032 PRO N 2.253 C A 0031 TYR O
C A 0033 ARG N 2.251 C A 0032 PRO O
C A 0033 ARG N 2.592 C A 0078 PHE O
H A 0034 ASN N 2.249 C A 0033 ARG O
H A 0034 ASN N 3.138 C A 0078 PHE O
H A 0035 PRO N 2.252 H A 0034 ASN O
H A 0036 ALA N 2.901 H A 0034 ASN O
H A 0036 ALA N 2.248 H A 0035 PRO O
H A 0037 MET N 3.141 H A 0034 ASN O
H A 0037 MET N 2.771 H A 0035 PRO O
H A 0037 MET N 2.248 H A 0036 ALA O
H A 0038 TYR N 2.867 H A 0035 PRO O
H A 0038 TYR N 2.249 H A 0037 MET O
H A 0039 SER N 2.251 H A 0038 TYR O
H A 0040 GLU N 2.248 H A 0039 SER O
H A 0041 GLU N 3.125 H A 0039 SER O
H A 0041 GLU N 2.248 H A 0040 GLU O
H A 0042 ALA N 2.945 H A 0039 SER O
H A 0042 ALA N 2.249 H A 0041 GLU O
H A 0043 ARG N 2.978 H A 0039 SER O
H A 0043 ARG N 3.055 H A 0040 GLU O
H A 0043 ARG N 2.250 H A 0042 ALA O
H A 0044 LEU N 3.100 H A 0040 GLU O
H A 0044 LEU N 2.924 H A 0041 GLU O
H A 0044 LEU N 3.017 H A 0042 ALA O
H A 0044 LEU N 2.249 H A 0043 ARG O
H A 0045 LYS N 2.935 H A 0042 ALA O
H A 0045 LYS N 2.250 H A 0044 LEU O
H A 0046 SER N 2.822 H A 0043 ARG O
H A 0046 SER N 3.056 H A 0044 LEU O
H A 0046 SER N 2.254 H A 0045 LYS O
H A 0047 PHE N 2.862 H A 0044 LEU O
H A 0047 PHE N 3.005 H A 0045 LYS O
H A 0047 PHE N 2.251 H A 0046 SER O
C A 0048 GLN N 2.703 H A 0045 LYS O
C A 0048 GLN N 2.247 H A 0047 PHE O
C A 0049 ASN N 2.813 H A 0047 PHE O
C A 0049 ASN N 2.252 C A 0048 GLN O
C A 0050 TRP N 2.840 H A 0047 PHE O
C A 0050 TRP N 2.252 C A 0049 ASN O
C A 0051 PRO N 2.250 C A 0050 TRP O
C A 0052 ASP N 2.252 C A 0051 PRO O
C A 0053 TYR N 2.250 C A 0052 ASP O
C A 0054 ALA N 2.264 C A 0053 TYR O
C A 0055 HIS N 2.247 C A 0054 ALA O
C A 0056 LEU N 2.251 C A 0055 HIS O
H A 0057 THR N 2.251 C A 0056 LEU O
H A 0058 PRO N 2.248 H A 0057 THR O
H A 0059 ARG N 2.242 H A 0058 PRO O
H A 0060 GLU N 2.259 H A 0059 ARG O
H A 0061 LEU N 3.090 H A 0058 PRO O
H A 0061 LEU N 2.825 H A 0059 ARG O
H A 0061 LEU N 2.251 H A 0060 GLU O
H A 0062 ALA N 2.566 H A 0059 ARG O
H A 0062 ALA N 2.252 H A 0061 LEU O
H A 0063 SER N 2.863 H A 0059 ARG O
H A 0063 SER N 2.252 H A 0062 ALA O
H A 0064 ALA N 2.826 H A 0060 GLU O
H A 0064 ALA N 2.714 H A 0061 LEU O
H A 0064 ALA N 2.897 H A 0062 ALA O
H A 0064 ALA N 2.254 H A 0063 SER O
C A 0065 GLY N 2.938 H A 0061 LEU O
C A 0065 GLY N 2.581 H A 0062 ALA O
C A 0065 GLY N 2.251 H A 0064 ALA O
E A 0066 LEU N 2.870 H A 0061 LEU O
E A 0066 LEU N 2.251 C A 0065 GLY O
E A 0067 TYR N 2.249 E A 0066 LEU O
E A 0067 TYR N 2.701 E A 0076 GLN O
E A 0068 TYR N 2.252 E A 0067 TYR O
E A 0069 THR N 2.251 E A 0068 TYR O
E A 0070 GLY N 2.249 E A 0069 THR O
E A 0071 ILE N 3.061 E A 0069 THR O
E A 0071 ILE N 2.247 E A 0070 GLY O
C A 0072 GLY N 2.250 E A 0071 ILE O
C A 0073 ASP N 3.104 E A 0071 ILE O
C A 0073 ASP N 2.249 C A 0072 GLY O
E A 0074 GLN N 2.843 E A 0071 ILE O
E A 0074 GLN N 2.251 C A 0073 ASP O
E A 0075 VAL N 2.249 E A 0074 GLN O
E A 0076 GLN N 2.247 E A 0075 VAL O
E A 0077 CYS N 2.244 E A 0076 GLN O
E A 0077 CYS N 2.717 E A 0082 GLY O
C A 0078 PHE N 2.258 E A 0077 CYS O
C A 0079 ALA N 2.241 C A 0078 PHE O
C A 0080 CYS N 2.248 C A 0079 ALA O
C A 0081 GLY N 3.002 E A 0077 CYS O
C A 0081 GLY N 2.246 C A 0080 CYS O
E A 0082 GLY N 2.251 C A 0081 GLY O
E A 0083 LYS N 2.251 E A 0082 GLY O
E A 0084 LEU N 2.842 E A 0075 VAL O
E A 0084 LEU N 2.248 E A 0083 LYS O
C A 0085 LYS N 2.251 E A 0084 LEU O
C A 0086 ASN N 2.249 C A 0085 LYS O
C A 0087 TRP N 2.252 C A 0086 ASN O
C A 0088 GLU N 2.251 C A 0087 TRP O
C A 0089 PRO N 2.250 C A 0088 GLU O
C A 0090 GLY N 2.249 C A 0089 PRO O
C A 0091 ASP N 2.250 C A 0090 GLY O
C A 0092 ARG N 3.110 C A 0090 GLY O
C A 0092 ARG N 2.250 C A 0091 ASP O
C A 0093 ALA N 2.267 C A 0092 ARG O
H A 0094 TRP N 3.189 C A 0092 ARG O
H A 0094 TRP N 2.249 C A 0093 ALA O
H A 0095 SER N 2.798 C A 0092 ARG O
H A 0095 SER N 2.241 H A 0094 TRP O
H A 0096 GLU N 3.177 C A 0092 ARG O
H A 0096 GLU N 3.024 H A 0094 TRP O
H A 0096 GLU N 2.254 H A 0095 SER O
H A 0097 HIS N 2.733 H A 0094 TRP O
H A 0097 HIS N 2.253 H A 0096 GLU O
H A 0098 ARG N 2.974 H A 0094 TRP O
H A 0098 ARG N 2.253 H A 0097 HIS O
H A 0099 ARG N 2.250 H A 0098 ARG O
H A 0100 HIS N 3.021 H A 0096 GLU O
H A 0100 HIS N 2.250 H A 0099 ARG O
H A 0101 PHE N 2.676 H A 0097 HIS O
H A 0101 PHE N 2.250 H A 0100 HIS O
C A 0102 PRO N 2.603 H A 0098 ARG O
C A 0102 PRO N 2.254 H A 0101 PHE O
C A 0103 ASN N 2.244 C A 0102 PRO O
H A 0104 CYS N 2.249 C A 0103 ASN O
H A 0105 PHE N 2.252 H A 0104 CYS O
H A 0106 PHE N 3.014 H A 0104 CYS O
H A 0106 PHE N 2.248 H A 0105 PHE O
H A 0107 VAL N 3.145 H A 0104 CYS O
H A 0107 VAL N 2.245 H A 0106 PHE O
H A 0108 LEU N 2.255 H A 0107 VAL O
H A 0109 GLY N 2.250 H A 0108 LEU O
H A 0110 ARG N 2.583 H A 0106 PHE O
H A 0110 ARG N 3.182 H A 0108 LEU O
H A 0110 ARG N 2.246 H A 0109 GLY O
C A 0111 ASN N 2.578 H A 0109 GLY O
C A 0111 ASN N 2.267 H A 0110 ARG O
C A 0112 LEU N 2.253 C A 0111 ASN O
C A 0113 ASN N 2.251 C A 0112 LEU O
C A 0114 ILE N 2.269 C A 0113 ASN O
C A 0115 ARG N 2.597 C A 0113 ASN O
C A 0115 ARG N 2.250 C A 0114 ILE O
C A 0116 SER N 2.253 C A 0115 ARG O
C A 0117 GLU N 2.726 C A 0115 ARG O
C A 0117 GLU N 2.247 C A 0116 SER O
HB_MS 2.00 3.20 16
H A 0003 HIS N 2.595 C A 0007 ASP OD1
H A 0003 HIS N 3.116 C A 0007 ASP OD2
C A 0009 PRO O 3.033 H A 0016 TYR OH
H A 0013 HIS N 2.895 C A 0012 THR OG1
H A 0038 TYR O 2.592 H A 0043 ARG NH2
H A 0043 ARG O 2.672 H A 0046 SER OG
H A 0047 PHE N 2.796 H A 0046 SER OG
C A 0056 LEU O 2.857 C A 0050 TRP NE1
H A 0062 ALA O 2.657 H A 0043 ARG NH1
E A 0068 TYR N 2.981 H A 0046 SER OG
C A 0072 GLY N 2.957 E A 0068 TYR OH
C A 0072 GLY O 2.503 E A 0068 TYR OH
E A 0084 LEU O 2.586 C A 0087 TRP NE1
C A 0087 TRP O 2.793 C A 0055 HIS NE2
C A 0114 ILE O 3.157 C A 0116 SER OG
C A 0115 ARG O 2.694 C A 0116 SER OG
HB_SS 2.00 3.20 2
H A 0013 HIS NE2 3.167 C A 0012 THR OG1
H A 0040 GLU OE2 2.800 H A 0063 SER OG
AROMATIC 0.00 8.00 13
C A 0085 LYS 7.841 H A 0100 HIS
C A 0033 ARG 7.948 H A 0101 PHE
C A 0008 ARG 7.398 H A 0013 HIS
C A 0008 ARG 7.880 H A 0004 PHE
C A 0092 ARG 5.919 H A 0094 TRP
H A 0098 ARG 3.735 H A 0094 TRP
H A 0110 ARG 3.902 H A 0094 TRP
C A 0019 ARG 7.408 H A 0016 TYR
H A 0043 ARG 4.948 H A 0106 PHE
H A 0110 ARG 6.150 H A 0106 PHE
H A 0043 ARG 6.758 H A 0038 TYR
H A 0043 ARG 4.144 C A 0078 PHE
C A 0050 TRP 5.313 E A 0068 TYR