Complet list of 1jww con file
Complete list of 1jww.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 329
C A 0001 VAL C 2.475 C A 0002 THR CA
C A 0001 VAL C 3.583 C A 0002 THR C
C A 0001 VAL C 3.396 C A 0002 THR CB
C A 0001 VAL C 3.502 C A 0002 THR CG2
C A 0002 THR C 2.497 E A 0003 GLU CA
C A 0002 THR C 3.516 E A 0003 GLU C
C A 0002 THR C 3.503 E A 0003 GLU CB
E A 0003 GLU C 2.488 E A 0004 LYS CA
E A 0003 GLU C 3.427 E A 0004 LYS C
E A 0003 GLU C 3.565 E A 0004 LYS CB
E A 0003 GLU C 3.537 E A 0004 LYS CG
E A 0003 GLU CD 3.726 C A 0049 PRO CG
E A 0004 LYS C 2.476 E A 0005 ALA CA
E A 0004 LYS C 3.413 E A 0005 ALA C
E A 0004 LYS C 3.565 E A 0005 ALA CB
E A 0004 LYS CG 3.587 E A 0046 GLU CG
E A 0004 LYS CD 3.336 E A 0046 GLU CG
E A 0004 LYS CD 3.395 E A 0046 GLU CD
E A 0004 LYS CE 3.715 C A 0074 GLN CD
E A 0005 ALA C 2.465 E A 0006 GLU CA
E A 0005 ALA C 3.521 E A 0006 GLU C
E A 0005 ALA C 3.517 E A 0006 GLU CB
E A 0005 ALA C 3.642 E A 0007 PHE CE1
E A 0005 ALA CB 3.743 E A 0007 PHE CE1
E A 0006 GLU CA 3.789 E A 0007 PHE CA
E A 0006 GLU CA 3.695 E A 0007 PHE CD1
E A 0006 GLU C 2.466 E A 0007 PHE CA
E A 0006 GLU C 3.588 E A 0007 PHE C
E A 0006 GLU C 3.375 E A 0007 PHE CB
E A 0006 GLU C 3.346 E A 0007 PHE CG
E A 0006 GLU C 3.181 E A 0007 PHE CD1
E A 0006 GLU CG 3.724 C A 0073 GLU C
E A 0007 PHE C 2.455 E A 0008 ASP CA
E A 0007 PHE C 3.384 E A 0008 ASP C
E A 0007 PHE C 3.515 E A 0008 ASP CB
E A 0007 PHE CD1 3.772 E A 0045 VAL CG2
E A 0007 PHE CE1 3.655 E A 0045 VAL CB
E A 0007 PHE CE1 3.359 E A 0045 VAL CG2
E A 0007 PHE CD2 3.681 H A 0057 LEU CD1
E A 0007 PHE CE2 3.250 H A 0057 LEU CD1
E A 0007 PHE CZ 3.648 H A 0057 LEU CD1
E A 0007 PHE CZ 3.757 H A 0057 LEU CD2
E A 0007 PHE CB 3.615 E A 0068 LEU CG
E A 0007 PHE CB 3.292 E A 0068 LEU CD1
E A 0007 PHE CD2 3.592 E A 0068 LEU CD2
E A 0007 PHE CD2 3.509 E A 0070 LEU CD1
E A 0007 PHE CE2 3.190 E A 0070 LEU CD1
E A 0007 PHE CZ 3.389 E A 0070 LEU CD1
E A 0008 ASP C 2.476 E A 0009 ILE CA
E A 0008 ASP C 3.455 E A 0009 ILE C
E A 0008 ASP C 3.573 E A 0009 ILE CB
E A 0008 ASP C 3.618 E A 0009 ILE CG1
E A 0008 ASP C 3.423 E A 0009 ILE CD1
E A 0008 ASP CG 3.787 C A 0071 LYS CD
E A 0009 ILE C 2.456 E A 0010 GLU CA
E A 0009 ILE C 3.470 E A 0010 GLU C
E A 0009 ILE C 3.486 E A 0010 GLU CB
E A 0009 ILE C 3.663 E A 0010 GLU CG
E A 0009 ILE CG1 3.518 C A 0041 GLU C
E A 0009 ILE CG1 3.760 E A 0042 THR CA
E A 0009 ILE CD1 3.536 E A 0043 VAL CB
E A 0009 ILE CD1 3.277 E A 0043 VAL CG2
E A 0009 ILE CD1 3.054 E A 0068 LEU CD1
E A 0010 GLU C 2.464 C A 0011 GLY CA
E A 0010 GLU C 3.724 C A 0011 GLY C
C A 0011 GLY C 2.465 C A 0012 MET CA
C A 0011 GLY C 3.426 C A 0012 MET C
C A 0011 GLY C 3.574 C A 0012 MET CB
C A 0011 GLY CA 3.702 C A 0066 TYR CB
C A 0012 MET C 2.473 C A 0013 THR CA
C A 0012 MET C 3.658 C A 0013 THR C
C A 0012 MET C 3.221 C A 0013 THR CB
C A 0012 MET CE 3.725 H A 0018 ALA CA
C A 0012 MET CE 3.738 H A 0018 ALA CB
C A 0012 MET CG 3.702 C A 0066 TYR CD1
C A 0012 MET CG 3.479 C A 0066 TYR CE1
C A 0012 MET CG 3.666 C A 0066 TYR CE2
C A 0012 MET CG 3.441 C A 0066 TYR CZ
C A 0012 MET CE 3.423 C A 0066 TYR CE2
C A 0012 MET CE 3.680 C A 0066 TYR CZ
C A 0013 THR C 2.467 H A 0014 CYS CA
C A 0013 THR C 3.659 H A 0014 CYS C
C A 0013 THR C 3.255 H A 0014 CYS CB
H A 0014 CYS C 2.480 H A 0015 ALA CA
H A 0014 CYS C 3.034 H A 0015 ALA C
H A 0014 CYS C 3.734 H A 0015 ALA CB
H A 0015 ALA C 2.435 H A 0016 ALA CA
H A 0015 ALA C 3.108 H A 0016 ALA C
H A 0015 ALA C 3.682 H A 0016 ALA CB
H A 0015 ALA CA 3.756 C A 0038 PHE CB
H A 0016 ALA C 2.433 H A 0017 CYS CA
H A 0016 ALA C 2.977 H A 0017 CYS C
H A 0016 ALA C 3.728 H A 0017 CYS CB
H A 0017 CYS C 2.456 H A 0018 ALA CA
H A 0017 CYS C 2.953 H A 0018 ALA C
H A 0017 CYS C 3.728 H A 0018 ALA CB
H A 0018 ALA C 2.442 H A 0019 ASN CA
H A 0018 ALA C 2.964 H A 0019 ASN C
H A 0018 ALA C 3.742 H A 0019 ASN CB
H A 0018 ALA CB 3.748 C A 0038 PHE CB
H A 0019 ASN C 2.423 H A 0020 ARG CA
H A 0019 ASN C 2.992 H A 0020 ARG C
H A 0019 ASN C 3.710 H A 0020 ARG CB
H A 0020 ARG C 2.481 H A 0021 ILE CA
H A 0020 ARG C 2.933 H A 0021 ILE C
H A 0020 ARG C 3.758 H A 0021 ILE CB
H A 0020 ARG CG 3.738 H A 0064 LEU CD2
H A 0021 ILE C 2.449 H A 0022 GLU CA
H A 0021 ILE C 2.924 H A 0022 GLU C
H A 0021 ILE C 3.737 H A 0022 GLU CB
H A 0021 ILE CG2 3.219 H A 0025 LEU CD1
H A 0021 ILE CG2 3.576 C A 0036 VAL CG1
H A 0021 ILE CD1 3.603 H A 0061 VAL CG2
H A 0021 ILE CD1 3.750 H A 0064 LEU CD1
H A 0021 ILE CD1 3.592 C A 0066 TYR CE2
H A 0022 GLU C 2.445 H A 0023 LYS CA
H A 0022 GLU C 3.083 H A 0023 LYS C
H A 0022 GLU C 3.704 H A 0023 LYS CB
H A 0023 LYS C 2.464 H A 0024 ARG CA
H A 0023 LYS C 3.053 H A 0024 ARG C
H A 0023 LYS C 3.729 H A 0024 ARG CB
H A 0024 ARG C 2.453 H A 0025 LEU CA
H A 0024 ARG C 3.236 H A 0025 LEU C
H A 0024 ARG C 3.663 H A 0025 LEU CB
H A 0024 ARG CG 3.617 H A 0064 LEU CD1
H A 0025 LEU C 2.443 H A 0026 ASN CA
H A 0025 LEU C 3.022 H A 0026 ASN C
H A 0025 LEU C 3.745 H A 0026 ASN CB
H A 0025 LEU CD2 3.646 C A 0028 ILE CD1
H A 0025 LEU CD2 3.503 E A 0045 VAL CG1
H A 0025 LEU CD2 3.339 E A 0045 VAL CG2
H A 0025 LEU CD2 3.496 H A 0057 LEU CB
H A 0025 LEU CD2 3.747 H A 0057 LEU CD2
H A 0026 ASN C 2.450 H A 0027 LYS CA
H A 0026 ASN C 3.016 H A 0027 LYS C
H A 0026 ASN C 3.708 H A 0027 LYS CB
H A 0027 LYS C 2.453 C A 0028 ILE CA
H A 0027 LYS C 2.936 C A 0028 ILE C
H A 0027 LYS C 3.713 C A 0028 ILE CB
C A 0028 ILE C 2.424 C A 0029 GLU CA
C A 0028 ILE C 3.033 C A 0029 GLU C
C A 0028 ILE C 3.703 C A 0029 GLU CB
C A 0028 ILE CG2 3.320 C A 0052 ALA CB
C A 0028 ILE CD1 3.424 H A 0057 LEU CB
C A 0029 GLU C 2.440 C A 0030 GLY CA
C A 0029 GLU C 3.219 C A 0030 GLY C
C A 0030 GLY C 2.463 E A 0031 VAL CA
C A 0030 GLY C 3.363 E A 0031 VAL C
C A 0030 GLY C 3.556 E A 0031 VAL CB
C A 0030 GLY CA 3.797 C A 0048 ASN CG
C A 0030 GLY CA 3.697 C A 0051 GLU CB
E A 0031 VAL C 2.450 E A 0032 ALA CA
E A 0031 VAL C 3.454 E A 0032 ALA C
E A 0031 VAL C 3.494 E A 0032 ALA CB
E A 0032 ALA C 2.444 E A 0033 ASN CA
E A 0032 ALA C 3.606 E A 0033 ASN C
E A 0032 ALA C 3.334 E A 0033 ASN CB
E A 0032 ALA C 3.268 E A 0033 ASN CG
E A 0033 ASN C 2.457 C A 0034 ALA CA
E A 0033 ASN C 3.678 C A 0034 ALA C
E A 0033 ASN C 3.228 C A 0034 ALA CB
E A 0033 ASN C 3.705 C A 0035 PRO CD
C A 0034 ALA CA 2.949 C A 0035 PRO CD
C A 0034 ALA C 2.457 C A 0035 PRO CA
C A 0034 ALA C 3.157 C A 0035 PRO C
C A 0034 ALA C 3.635 C A 0035 PRO CB
C A 0034 ALA C 3.696 C A 0035 PRO CG
C A 0034 ALA C 2.500 C A 0035 PRO CD
C A 0035 PRO C 2.439 C A 0036 VAL CA
C A 0035 PRO C 3.117 C A 0036 VAL C
C A 0035 PRO C 3.688 C A 0036 VAL CB
C A 0036 VAL C 2.437 C A 0037 ASN CA
C A 0036 VAL C 3.339 C A 0037 ASN C
C A 0036 VAL C 3.600 C A 0037 ASN CB
C A 0036 VAL CG1 3.597 E A 0043 VAL CG1
C A 0037 ASN C 2.478 C A 0038 PHE CA
C A 0037 ASN C 3.534 C A 0038 PHE C
C A 0037 ASN C 3.465 C A 0038 PHE CB
C A 0037 ASN CG 3.785 C A 0040 LEU CD1
C A 0038 PHE C 2.484 C A 0039 ALA CA
C A 0038 PHE C 3.719 C A 0039 ALA C
C A 0038 PHE C 3.091 C A 0039 ALA CB
C A 0039 ALA C 2.478 C A 0040 LEU CA
C A 0039 ALA C 3.248 C A 0040 LEU C
C A 0039 ALA C 3.694 C A 0040 LEU CB
C A 0040 LEU C 2.488 C A 0041 GLU CA
C A 0040 LEU C 3.161 C A 0041 GLU C
C A 0040 LEU C 3.038 C A 0041 GLU CB
C A 0040 LEU C 3.362 C A 0041 GLU CG
C A 0041 GLU C 2.478 E A 0042 THR CA
C A 0041 GLU C 3.624 E A 0042 THR C
C A 0041 GLU C 3.362 E A 0042 THR CB
C A 0041 GLU C 3.379 E A 0042 THR CG2
E A 0042 THR C 2.456 E A 0043 VAL CA
E A 0042 THR C 3.309 E A 0043 VAL C
E A 0042 THR C 3.597 E A 0043 VAL CB
E A 0043 VAL C 2.468 E A 0044 THR CA
E A 0043 VAL C 3.521 E A 0044 THR C
E A 0043 VAL C 3.400 E A 0044 THR CB
E A 0043 VAL CG1 3.695 E A 0045 VAL CG2
E A 0044 THR C 2.455 E A 0045 VAL CA
E A 0044 THR C 3.547 E A 0045 VAL C
E A 0044 THR C 3.450 E A 0045 VAL CB
E A 0044 THR C 3.340 E A 0045 VAL CG2
E A 0045 VAL CA 3.795 E A 0046 GLU CA
E A 0045 VAL C 2.479 E A 0046 GLU CA
E A 0045 VAL C 3.388 E A 0046 GLU C
E A 0045 VAL C 3.537 E A 0046 GLU CB
E A 0045 VAL CG1 3.714 E A 0047 TYR CD1
E A 0046 GLU C 2.459 E A 0047 TYR CA
E A 0046 GLU C 3.611 E A 0047 TYR C
E A 0046 GLU C 3.349 E A 0047 TYR CB
E A 0047 TYR C 2.456 C A 0048 ASN CA
E A 0047 TYR C 3.320 C A 0048 ASN C
E A 0047 TYR C 3.641 C A 0048 ASN CB
E A 0047 TYR CD2 3.547 C A 0048 ASN C
E A 0047 TYR CE2 3.671 C A 0048 ASN C
C A 0048 ASN CA 2.997 C A 0049 PRO CD
C A 0048 ASN C 2.446 C A 0049 PRO CA
C A 0048 ASN C 3.157 C A 0049 PRO C
C A 0048 ASN C 3.627 C A 0049 PRO CB
C A 0048 ASN C 3.696 C A 0049 PRO CG
C A 0048 ASN C 2.506 C A 0049 PRO CD
C A 0049 PRO C 2.466 C A 0050 LYS CA
C A 0049 PRO C 3.489 C A 0050 LYS C
C A 0049 PRO C 3.506 C A 0050 LYS CB
C A 0050 LYS C 2.469 C A 0051 GLU CA
C A 0050 LYS C 3.367 C A 0051 GLU C
C A 0050 LYS C 3.592 C A 0051 GLU CB
C A 0050 LYS CE 3.269 C A 0051 GLU CD
C A 0051 GLU C 2.478 C A 0052 ALA CA
C A 0051 GLU C 3.537 C A 0052 ALA C
C A 0051 GLU C 3.474 C A 0052 ALA CB
C A 0052 ALA C 2.460 H A 0053 SER CA
C A 0052 ALA C 3.674 H A 0053 SER C
C A 0052 ALA C 3.243 H A 0053 SER CB
H A 0053 SER C 2.462 H A 0054 VAL CA
H A 0053 SER C 2.966 H A 0054 VAL C
H A 0053 SER C 3.746 H A 0054 VAL CB
H A 0054 VAL C 2.461 H A 0055 SER CA
H A 0054 VAL C 3.058 H A 0055 SER C
H A 0054 VAL C 3.723 H A 0055 SER CB
H A 0054 VAL CG1 3.665 E A 0070 LEU CD1
H A 0055 SER C 2.455 H A 0056 ASP CA
H A 0055 SER C 3.016 H A 0056 ASP C
H A 0055 SER C 3.717 H A 0056 ASP CB
H A 0056 ASP CA 3.799 H A 0057 LEU CA
H A 0056 ASP C 2.426 H A 0057 LEU CA
H A 0056 ASP C 3.028 H A 0057 LEU C
H A 0056 ASP C 3.684 H A 0057 LEU CB
H A 0057 LEU C 2.452 H A 0058 LYS CA
H A 0057 LEU C 2.944 H A 0058 LYS C
H A 0057 LEU C 3.709 H A 0058 LYS CB
H A 0057 LEU CD1 3.343 E A 0068 LEU CD2
H A 0058 LYS C 2.437 H A 0059 GLU CA
H A 0058 LYS C 2.985 H A 0059 GLU C
H A 0058 LYS C 3.717 H A 0059 GLU CB
H A 0058 LYS CE 3.671 H A 0059 GLU CA
H A 0058 LYS CA 3.599 E A 0068 LEU CD2
H A 0059 GLU C 2.437 H A 0060 ALA CA
H A 0059 GLU C 2.931 H A 0060 ALA C
H A 0059 GLU C 3.727 H A 0060 ALA CB
H A 0060 ALA C 2.446 H A 0061 VAL CA
H A 0060 ALA C 3.102 H A 0061 VAL C
H A 0060 ALA C 3.716 H A 0061 VAL CB
H A 0061 VAL C 2.437 H A 0062 ASP CA
H A 0061 VAL C 2.960 H A 0062 ASP C
H A 0061 VAL C 3.733 H A 0062 ASP CB
H A 0061 VAL CG1 3.648 C A 0066 TYR CD2
H A 0061 VAL CG1 3.746 C A 0066 TYR CE2
H A 0061 VAL CB 3.776 E A 0068 LEU CB
H A 0062 ASP C 2.472 H A 0063 LYS CA
H A 0062 ASP C 3.081 H A 0063 LYS C
H A 0062 ASP C 3.722 H A 0063 LYS CB
H A 0062 ASP CG 3.758 E A 0067 LYS CD
H A 0062 ASP CG 3.607 E A 0067 LYS CE
H A 0063 LYS C 2.435 H A 0064 LEU CA
H A 0063 LYS C 3.014 H A 0064 LEU C
H A 0063 LYS C 3.713 H A 0064 LEU CB
H A 0064 LEU C 2.467 H A 0065 GLY CA
H A 0064 LEU C 3.637 H A 0065 GLY C
H A 0065 GLY C 2.477 C A 0066 TYR CA
H A 0065 GLY C 3.339 C A 0066 TYR C
H A 0065 GLY C 3.623 C A 0066 TYR CB
C A 0066 TYR C 2.435 E A 0067 LYS CA
C A 0066 TYR C 3.250 E A 0067 LYS C
C A 0066 TYR C 3.645 E A 0067 LYS CB
C A 0066 TYR C 3.781 E A 0067 LYS CD
E A 0067 LYS C 2.482 E A 0068 LEU CA
E A 0067 LYS C 3.538 E A 0068 LEU C
E A 0067 LYS C 3.453 E A 0068 LEU CB
E A 0068 LEU CA 3.795 E A 0069 LYS CA
E A 0068 LEU C 2.438 E A 0069 LYS CA
E A 0068 LEU C 3.644 E A 0069 LYS C
E A 0068 LEU C 3.178 E A 0069 LYS CB
E A 0069 LYS C 2.439 E A 0070 LEU CA
E A 0069 LYS C 2.994 E A 0070 LEU C
E A 0069 LYS C 3.733 E A 0070 LEU CB
E A 0070 LEU CA 3.799 C A 0071 LYS CA
E A 0070 LEU C 2.463 C A 0071 LYS CA
E A 0070 LEU C 3.371 C A 0071 LYS C
E A 0070 LEU C 3.556 C A 0071 LYS CB
C A 0071 LYS C 2.437 C A 0072 GLY CA
C A 0071 LYS C 3.703 C A 0072 GLY C
C A 0072 GLY C 2.463 C A 0073 GLU CA
C A 0072 GLY C 3.677 C A 0073 GLU C
C A 0072 GLY C 3.140 C A 0073 GLU CB
C A 0072 GLY C 3.721 C A 0073 GLU CG
C A 0073 GLU C 2.462 C A 0074 GLN CA
C A 0073 GLU C 2.953 C A 0074 GLN C
C A 0073 GLU C 3.734 C A 0074 GLN CB
C A 0074 GLN C 2.478 C A 0075 ASP CA
C A 0074 GLN C 3.115 C A 0075 ASP C
C A 0074 GLN C 3.060 C A 0075 ASP CB
C A 0075 ASP C 2.465 C A 0076 SER CA
C A 0075 ASP C 3.345 C A 0076 SER C
C A 0075 ASP C 3.610 C A 0076 SER CB
C A 0076 SER C 2.466 C A 0077 ILE CA
C A 0076 SER C 3.568 C A 0077 ILE C
C A 0076 SER C 3.400 C A 0077 ILE CB
C A 0076 SER C 3.246 C A 0077 ILE CG1
C A 0077 ILE C 2.511 C A 0078 GLU CA
C A 0077 ILE C 3.001 C A 0078 GLU C
C A 0077 ILE C 3.384 C A 0078 GLU CB
C A 0078 GLU C 2.451 C A 0079 GLY CA
C A 0078 GLU C 3.034 C A 0079 GLY C
C A 0079 GLY C 2.469 C A 0080 ARG CA
C A 0079 GLY C 3.686 C A 0080 ARG C
C A 0079 GLY C 3.094 C A 0080 ARG CB
CHARGE_ATTR 2.00 12.00 75
E A 0003 GLU OE1 10.48 E A 0004 LYS NZ
E A 0003 GLU OE2 10.17 E A 0004 LYS NZ
E A 0003 GLU OE2 11.67 C A 0050 LYS NZ
E A 0006 GLU OE2 11.26 E A 0004 LYS NZ
E A 0006 GLU OE1 2.548 C A 0071 LYS NZ
E A 0006 GLU OE2 4.712 C A 0071 LYS NZ
E A 0008 ASP OD1 11.69 E A 0069 LYS NZ
E A 0008 ASP OD2 11.60 E A 0069 LYS NZ
E A 0008 ASP OD1 2.652 C A 0071 LYS NZ
E A 0008 ASP OD2 3.980 C A 0071 LYS NZ
E A 0010 GLU OE1 9.881 E A 0067 LYS NZ
E A 0010 GLU OE2 9.916 E A 0067 LYS NZ
E A 0010 GLU OE1 11.45 E A 0069 LYS NZ
E A 0010 GLU OE2 9.432 E A 0069 LYS NZ
E A 0010 GLU OE2 11.54 C A 0071 LYS NZ
H A 0022 GLU OE1 9.297 H A 0020 ARG NH1
H A 0022 GLU OE1 11.59 H A 0020 ARG NH2
H A 0022 GLU OE2 11.23 H A 0020 ARG NH1
H A 0022 GLU OE1 5.697 H A 0023 LYS NZ
H A 0022 GLU OE2 7.861 H A 0023 LYS NZ
C A 0029 GLU OE1 11.28 H A 0024 ARG NH1
C A 0029 GLU OE2 11.08 H A 0024 ARG NH1
C A 0029 GLU OE2 11.81 H A 0024 ARG NH2
C A 0029 GLU OE1 7.640 H A 0027 LYS NZ
C A 0029 GLU OE2 6.213 H A 0027 LYS NZ
C A 0029 GLU OE1 9.953 C A 0050 LYS NZ
C A 0029 GLU OE2 11.23 C A 0050 LYS NZ
C A 0041 GLU OE1 10.98 C A 0071 LYS NZ
C A 0041 GLU OE2 11.62 C A 0071 LYS NZ
E A 0046 GLU OE1 5.609 E A 0004 LYS NZ
E A 0046 GLU OE2 5.101 E A 0004 LYS NZ
C A 0051 GLU OE1 3.813 C A 0050 LYS NZ
C A 0051 GLU OE2 3.640 C A 0050 LYS NZ
H A 0056 ASP OD1 8.424 H A 0024 ARG NH1
H A 0056 ASP OD1 10.45 H A 0024 ARG NH2
H A 0056 ASP OD2 8.157 H A 0024 ARG NH1
H A 0056 ASP OD2 10.22 H A 0024 ARG NH2
H A 0056 ASP OD1 11.34 H A 0027 LYS NZ
H A 0056 ASP OD2 10.65 H A 0027 LYS NZ
H A 0056 ASP OD1 7.788 H A 0058 LYS NZ
H A 0056 ASP OD2 8.041 H A 0058 LYS NZ
H A 0056 ASP OD1 11.20 H A 0063 LYS NZ
H A 0056 ASP OD2 11.90 H A 0063 LYS NZ
H A 0059 GLU OE1 5.661 H A 0024 ARG NH1
H A 0059 GLU OE1 7.604 H A 0024 ARG NH2
H A 0059 GLU OE2 7.493 H A 0024 ARG NH1
H A 0059 GLU OE2 9.271 H A 0024 ARG NH2
H A 0059 GLU OE1 5.854 H A 0058 LYS NZ
H A 0059 GLU OE2 5.987 H A 0058 LYS NZ
H A 0059 GLU OE1 5.748 H A 0063 LYS NZ
H A 0059 GLU OE2 6.416 H A 0063 LYS NZ
H A 0059 GLU OE1 10.00 E A 0067 LYS NZ
H A 0059 GLU OE2 10.72 E A 0067 LYS NZ
H A 0062 ASP OD1 10.72 H A 0024 ARG NH1
H A 0062 ASP OD2 11.52 H A 0024 ARG NH1
H A 0062 ASP OD1 7.084 H A 0058 LYS NZ
H A 0062 ASP OD2 5.534 H A 0058 LYS NZ
H A 0062 ASP OD1 9.819 H A 0063 LYS NZ
H A 0062 ASP OD2 11.12 H A 0063 LYS NZ
H A 0062 ASP OD1 2.615 E A 0067 LYS NZ
H A 0062 ASP OD2 3.770 E A 0067 LYS NZ
H A 0062 ASP OD1 11.55 E A 0069 LYS NZ
H A 0062 ASP OD2 9.368 E A 0069 LYS NZ
C A 0073 GLU OE1 9.244 E A 0004 LYS NZ
C A 0073 GLU OE2 11.38 E A 0004 LYS NZ
C A 0073 GLU OE1 11.07 C A 0071 LYS NZ
C A 0073 GLU OE2 10.50 C A 0071 LYS NZ
C A 0075 ASP OD1 8.794 C A 0071 LYS NZ
C A 0075 ASP OD2 8.933 C A 0071 LYS NZ
C A 0078 GLU OE1 10.04 E A 0004 LYS NZ
C A 0078 GLU OE2 7.844 E A 0004 LYS NZ
C A 0078 GLU OE1 9.785 C A 0080 ARG NH1
C A 0078 GLU OE1 10.74 C A 0080 ARG NH2
C A 0078 GLU OE2 8.556 C A 0080 ARG NH1
C A 0078 GLU OE2 9.864 C A 0080 ARG NH2
CHARGE_REPU 2.00 12.00 100
E A 0003 GLU OE2 11.65 E A 0046 GLU OE1
E A 0003 GLU OE1 8.551 C A 0073 GLU OE1
E A 0003 GLU OE1 9.969 C A 0073 GLU OE2
E A 0003 GLU OE2 10.05 C A 0073 GLU OE1
E A 0003 GLU OE2 11.69 C A 0073 GLU OE2
E A 0004 LYS NZ 9.709 C A 0080 ARG NH1
E A 0004 LYS NZ 11.80 C A 0080 ARG NH2
E A 0006 GLU OE1 4.719 E A 0008 ASP OD1
E A 0006 GLU OE1 6.449 E A 0008 ASP OD2
E A 0006 GLU OE2 6.850 E A 0008 ASP OD1
E A 0006 GLU OE2 8.625 E A 0008 ASP OD2
E A 0006 GLU OE1 11.45 E A 0046 GLU OE2
E A 0006 GLU OE2 11.72 E A 0046 GLU OE1
E A 0006 GLU OE2 9.655 E A 0046 GLU OE2
E A 0006 GLU OE1 9.617 C A 0073 GLU OE1
E A 0006 GLU OE1 9.499 C A 0073 GLU OE2
E A 0006 GLU OE2 9.199 C A 0073 GLU OE1
E A 0006 GLU OE2 9.495 C A 0073 GLU OE2
E A 0006 GLU OE1 7.501 C A 0075 ASP OD1
E A 0006 GLU OE1 7.340 C A 0075 ASP OD2
E A 0006 GLU OE2 6.489 C A 0075 ASP OD1
E A 0006 GLU OE2 5.892 C A 0075 ASP OD2
E A 0006 GLU OE1 11.99 C A 0078 GLU OE2
E A 0006 GLU OE2 10.49 C A 0078 GLU OE1
E A 0006 GLU OE2 10.07 C A 0078 GLU OE2
E A 0008 ASP OD1 10.52 E A 0010 GLU OE1
E A 0008 ASP OD1 8.988 E A 0010 GLU OE2
E A 0008 ASP OD2 9.275 E A 0010 GLU OE1
E A 0008 ASP OD2 7.852 E A 0010 GLU OE2
E A 0008 ASP OD1 9.634 C A 0041 GLU OE1
E A 0008 ASP OD1 9.977 C A 0041 GLU OE2
E A 0008 ASP OD2 9.146 C A 0041 GLU OE1
E A 0008 ASP OD2 9.747 C A 0041 GLU OE2
E A 0008 ASP OD1 11.43 C A 0075 ASP OD1
E A 0008 ASP OD1 11.47 C A 0075 ASP OD2
E A 0010 GLU OE1 9.889 C A 0041 GLU OE1
E A 0010 GLU OE1 9.347 C A 0041 GLU OE2
E A 0010 GLU OE2 10.42 C A 0041 GLU OE1
E A 0010 GLU OE2 9.932 C A 0041 GLU OE2
E A 0010 GLU OE1 11.23 H A 0062 ASP OD1
E A 0010 GLU OE1 10.58 H A 0062 ASP OD2
E A 0010 GLU OE2 10.81 H A 0062 ASP OD1
E A 0010 GLU OE2 9.797 H A 0062 ASP OD2
H A 0020 ARG NH1 5.666 H A 0023 LYS NZ
H A 0020 ARG NH2 7.672 H A 0023 LYS NZ
H A 0020 ARG NH1 8.910 H A 0024 ARG NH1
H A 0020 ARG NH1 7.581 H A 0024 ARG NH2
H A 0020 ARG NH2 8.197 H A 0024 ARG NH1
H A 0020 ARG NH2 6.407 H A 0024 ARG NH2
H A 0020 ARG NH1 10.13 H A 0027 LYS NZ
H A 0020 ARG NH2 10.07 H A 0027 LYS NZ
H A 0020 ARG NH2 11.25 H A 0063 LYS NZ
H A 0022 GLU OE2 11.91 E A 0046 GLU OE1
H A 0022 GLU OE2 11.65 E A 0046 GLU OE2
H A 0023 LYS NZ 10.59 H A 0027 LYS NZ
H A 0024 ARG NH1 9.190 H A 0027 LYS NZ
H A 0024 ARG NH2 8.853 H A 0027 LYS NZ
H A 0024 ARG NH1 10.53 H A 0058 LYS NZ
H A 0024 ARG NH1 5.668 H A 0063 LYS NZ
H A 0024 ARG NH2 5.734 H A 0063 LYS NZ
C A 0029 GLU OE1 6.235 C A 0051 GLU OE1
C A 0029 GLU OE1 6.803 C A 0051 GLU OE2
C A 0029 GLU OE2 7.673 C A 0051 GLU OE1
C A 0029 GLU OE2 7.967 C A 0051 GLU OE2
C A 0029 GLU OE1 6.922 H A 0056 ASP OD1
C A 0029 GLU OE1 6.697 H A 0056 ASP OD2
C A 0029 GLU OE2 8.201 H A 0056 ASP OD1
C A 0029 GLU OE2 8.158 H A 0056 ASP OD2
E A 0046 GLU OE2 11.69 C A 0073 GLU OE1
E A 0046 GLU OE2 11.86 C A 0075 ASP OD2
E A 0046 GLU OE1 11.73 C A 0078 GLU OE2
E A 0046 GLU OE2 11.81 C A 0078 GLU OE1
E A 0046 GLU OE2 10.02 C A 0078 GLU OE2
C A 0051 GLU OE1 11.34 H A 0056 ASP OD1
C A 0051 GLU OE1 10.74 H A 0056 ASP OD2
C A 0051 GLU OE2 11.80 H A 0056 ASP OD2
H A 0056 ASP OD1 6.738 H A 0059 GLU OE1
H A 0056 ASP OD1 6.920 H A 0059 GLU OE2
H A 0056 ASP OD2 7.418 H A 0059 GLU OE1
H A 0056 ASP OD2 8.168 H A 0059 GLU OE2
H A 0058 LYS NZ 11.36 H A 0063 LYS NZ
H A 0058 LYS NZ 9.245 E A 0067 LYS NZ
H A 0058 LYS NZ 8.065 E A 0069 LYS NZ
H A 0059 GLU OE1 7.465 H A 0062 ASP OD1
H A 0059 GLU OE1 7.633 H A 0062 ASP OD2
H A 0059 GLU OE2 8.344 H A 0062 ASP OD1
H A 0059 GLU OE2 8.289 H A 0062 ASP OD2
H A 0063 LYS NZ 11.73 E A 0067 LYS NZ
C A 0073 GLU OE1 9.604 C A 0075 ASP OD1
C A 0073 GLU OE1 10.69 C A 0075 ASP OD2
C A 0073 GLU OE2 9.387 C A 0075 ASP OD1
C A 0073 GLU OE2 10.82 C A 0075 ASP OD2
C A 0073 GLU OE1 11.01 C A 0078 GLU OE1
C A 0073 GLU OE1 9.803 C A 0078 GLU OE2
C A 0073 GLU OE2 11.77 C A 0078 GLU OE1
C A 0073 GLU OE2 10.93 C A 0078 GLU OE2
C A 0075 ASP OD1 6.326 C A 0078 GLU OE1
C A 0075 ASP OD1 7.175 C A 0078 GLU OE2
C A 0075 ASP OD2 6.048 C A 0078 GLU OE1
C A 0075 ASP OD2 6.835 C A 0078 GLU OE2
HB_MM 2.00 3.20 133
C A 0002 THR N 2.252 C A 0001 VAL O
E A 0003 GLU N 2.263 C A 0002 THR O
E A 0003 GLU N 2.795 E A 0047 TYR O
E A 0004 LYS N 2.270 E A 0003 GLU O
E A 0005 ALA N 2.259 E A 0004 LYS O
E A 0005 ALA N 2.798 E A 0045 VAL O
E A 0006 GLU N 2.257 E A 0005 ALA O
E A 0007 PHE N 2.273 E A 0006 GLU O
E A 0007 PHE N 2.802 E A 0043 VAL O
E A 0008 ASP N 2.262 E A 0007 PHE O
E A 0008 ASP N 2.742 E A 0069 LYS O
E A 0009 ILE N 2.263 E A 0008 ASP O
E A 0010 GLU N 2.255 E A 0009 ILE O
E A 0010 GLU N 3.072 E A 0067 LYS O
C A 0011 GLY N 2.264 E A 0010 GLU O
C A 0012 MET N 2.255 C A 0011 GLY O
C A 0013 THR N 2.258 C A 0012 MET O
H A 0014 CYS N 2.236 C A 0013 THR O
H A 0015 ALA N 2.254 H A 0014 CYS O
H A 0016 ALA N 2.237 H A 0015 ALA O
H A 0017 CYS N 2.250 H A 0016 ALA O
H A 0018 ALA N 2.774 H A 0014 CYS O
H A 0018 ALA N 2.257 H A 0017 CYS O
H A 0019 ASN N 2.743 H A 0015 ALA O
H A 0019 ASN N 3.116 H A 0016 ALA O
H A 0019 ASN N 2.230 H A 0018 ALA O
H A 0020 ARG N 2.928 H A 0017 CYS O
H A 0020 ARG N 2.937 H A 0018 ALA O
H A 0020 ARG N 2.239 H A 0019 ASN O
H A 0021 ILE N 2.755 H A 0018 ALA O
H A 0021 ILE N 2.264 H A 0020 ARG O
H A 0022 GLU N 3.151 H A 0019 ASN O
H A 0022 GLU N 2.254 H A 0021 ILE O
H A 0023 LYS N 3.049 H A 0020 ARG O
H A 0023 LYS N 3.178 H A 0021 ILE O
H A 0023 LYS N 2.236 H A 0022 GLU O
H A 0024 ARG N 2.809 H A 0020 ARG O
H A 0024 ARG N 3.043 H A 0021 ILE O
H A 0024 ARG N 2.248 H A 0023 LYS O
H A 0025 LEU N 2.743 H A 0021 ILE O
H A 0025 LEU N 3.197 H A 0023 LYS O
H A 0025 LEU N 2.244 H A 0024 ARG O
H A 0026 ASN N 2.760 H A 0022 GLU O
H A 0026 ASN N 3.089 H A 0023 LYS O
H A 0026 ASN N 2.219 H A 0025 LEU O
H A 0027 LYS N 2.891 H A 0023 LYS O
H A 0027 LYS N 2.951 H A 0025 LEU O
H A 0027 LYS N 2.243 H A 0026 ASN O
C A 0028 ILE N 2.749 H A 0025 LEU O
C A 0028 ILE N 2.251 H A 0027 LYS O
C A 0029 GLU N 2.241 C A 0028 ILE O
C A 0030 GLY N 2.239 C A 0029 GLU O
E A 0031 VAL N 2.844 C A 0029 GLU O
E A 0031 VAL N 2.242 C A 0030 GLY O
E A 0032 ALA N 2.251 E A 0031 VAL O
E A 0032 ALA N 2.809 E A 0046 GLU O
E A 0033 ASN N 2.252 E A 0032 ALA O
E A 0033 ASN N 2.976 E A 0046 GLU O
C A 0034 ALA N 2.245 E A 0033 ASN O
C A 0035 PRO N 2.246 C A 0034 ALA O
C A 0036 VAL N 2.837 C A 0034 ALA O
C A 0036 VAL N 2.240 C A 0035 PRO O
C A 0037 ASN N 2.254 C A 0036 VAL O
C A 0037 ASN N 2.895 E A 0042 THR O
C A 0038 PHE N 2.251 C A 0037 ASN O
C A 0039 ALA N 2.254 C A 0038 PHE O
C A 0040 LEU N 2.256 C A 0039 ALA O
C A 0041 GLU N 2.261 C A 0040 LEU O
E A 0042 THR N 2.260 C A 0041 GLU O
E A 0043 VAL N 2.857 E A 0007 PHE O
E A 0043 VAL N 2.252 E A 0042 THR O
E A 0044 THR N 2.259 E A 0043 VAL O
E A 0045 VAL N 2.823 E A 0005 ALA O
E A 0045 VAL N 2.259 E A 0044 THR O
E A 0046 GLU N 2.783 E A 0033 ASN O
E A 0046 GLU N 2.261 E A 0045 VAL O
E A 0047 TYR N 3.126 E A 0003 GLU O
E A 0047 TYR N 2.262 E A 0046 GLU O
C A 0048 ASN N 2.788 C A 0030 GLY O
C A 0048 ASN N 2.247 E A 0047 TYR O
C A 0049 PRO N 2.238 C A 0048 ASN O
C A 0050 LYS N 2.873 C A 0048 ASN O
C A 0050 LYS N 2.251 C A 0049 PRO O
C A 0051 GLU N 2.256 C A 0050 LYS O
C A 0052 ALA N 2.252 C A 0051 GLU O
H A 0053 SER N 2.246 C A 0052 ALA O
H A 0054 VAL N 2.256 H A 0053 SER O
H A 0055 SER N 3.176 H A 0053 SER O
H A 0055 SER N 2.248 H A 0054 VAL O
H A 0056 ASP N 3.031 H A 0053 SER O
H A 0056 ASP N 2.267 H A 0055 SER O
H A 0057 LEU N 3.196 H A 0053 SER O
H A 0057 LEU N 2.243 H A 0056 ASP O
H A 0058 LYS N 2.891 H A 0054 VAL O
H A 0058 LYS N 2.243 H A 0057 LEU O
H A 0059 GLU N 2.966 H A 0055 SER O
H A 0059 GLU N 2.740 H A 0056 ASP O
H A 0059 GLU N 2.242 H A 0058 LYS O
H A 0060 ALA N 2.974 H A 0056 ASP O
H A 0060 ALA N 2.945 H A 0057 LEU O
H A 0060 ALA N 2.249 H A 0059 GLU O
H A 0061 VAL N 2.979 H A 0057 LEU O
H A 0061 VAL N 2.250 H A 0060 ALA O
H A 0062 ASP N 2.794 H A 0058 LYS O
H A 0062 ASP N 3.004 H A 0059 GLU O
H A 0062 ASP N 2.226 H A 0061 VAL O
H A 0063 LYS N 2.736 H A 0059 GLU O
H A 0063 LYS N 3.150 H A 0061 VAL O
H A 0063 LYS N 2.243 H A 0062 ASP O
H A 0064 LEU N 3.100 H A 0060 ALA O
H A 0064 LEU N 2.957 H A 0061 VAL O
H A 0064 LEU N 2.249 H A 0063 LYS O
H A 0065 GLY N 2.810 H A 0062 ASP O
H A 0065 GLY N 2.252 H A 0064 LEU O
C A 0066 TYR N 2.256 H A 0065 GLY O
E A 0067 LYS N 2.917 E A 0010 GLU O
E A 0067 LYS N 2.240 C A 0066 TYR O
E A 0068 LEU N 2.271 E A 0067 LYS O
E A 0069 LYS N 2.253 E A 0068 LEU O
E A 0070 LEU N 2.255 E A 0069 LYS O
C A 0071 LYS N 2.763 E A 0006 GLU O
C A 0071 LYS N 2.258 E A 0070 LEU O
C A 0072 GLY N 2.250 C A 0071 LYS O
C A 0073 GLU N 2.253 C A 0072 GLY O
C A 0074 GLN N 2.942 E A 0004 LYS O
C A 0074 GLN N 2.265 C A 0073 GLU O
C A 0075 ASP N 2.256 C A 0074 GLN O
C A 0076 SER N 2.232 C A 0075 ASP O
C A 0077 ILE N 2.254 C A 0076 SER O
C A 0078 GLU N 2.250 C A 0077 ILE O
C A 0079 GLY N 2.246 C A 0078 GLU O
C A 0080 ARG N 3.094 C A 0078 GLU O
C A 0080 ARG N 2.251 C A 0079 GLY O
HB_MS 2.00 3.20 8
C A 0030 GLY O 3.048 C A 0048 ASN ND2
C A 0050 LYS N 2.874 C A 0048 ASN OD1
C A 0051 GLU N 3.154 C A 0048 ASN OD1
H A 0055 SER O 2.677 H A 0058 LYS NZ
H A 0057 LEU N 3.199 H A 0056 ASP OD2
C A 0075 ASP N 2.684 E A 0006 GLU OE2
C A 0076 SER N 2.625 C A 0075 ASP OD1
C A 0077 ILE N 2.754 C A 0075 ASP OD1
HB_SS 2.00 3.20 3
H A 0022 GLU OE1 2.602 H A 0019 ASN ND2
C A 0037 ASN ND2 2.831 E A 0042 THR OG1
E A 0046 GLU OE1 2.672 E A 0033 ASN ND2