Complet list of 1neh con file
Complete list of 1neh.con file
COMMENT BEGIN
#########################################################################
COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 396
C A 0001 SER C 2.436 C A 0002 ALA CA
C A 0001 SER C 3.034 C A 0002 ALA C
C A 0001 SER C 3.696 C A 0002 ALA CB
C A 0002 ALA CA 2.977 C A 0003 PRO CD
C A 0002 ALA C 2.446 C A 0003 PRO CA
C A 0002 ALA C 3.151 C A 0003 PRO C
C A 0002 ALA C 3.644 C A 0003 PRO CB
C A 0002 ALA C 3.683 C A 0003 PRO CG
C A 0002 ALA C 2.504 C A 0003 PRO CD
C A 0002 ALA CB 3.672 C A 0003 PRO CD
C A 0002 ALA CB 3.718 E A 0060 TRP CE2
C A 0002 ALA CB 3.355 E A 0060 TRP CZ2
C A 0003 PRO C 2.460 C A 0004 ALA CA
C A 0003 PRO C 3.033 C A 0004 ALA C
C A 0003 PRO C 3.721 C A 0004 ALA CB
C A 0003 PRO CD 3.356 E A 0060 TRP CG
C A 0003 PRO CD 3.651 E A 0060 TRP CD1
C A 0003 PRO CD 3.481 E A 0060 TRP CD2
C A 0003 PRO CG 3.650 C A 0070 LEU CD1
C A 0004 ALA C 2.471 C A 0005 ASN CA
C A 0004 ALA C 3.335 C A 0005 ASN C
C A 0004 ALA C 3.662 C A 0005 ASN CB
C A 0005 ASN C 2.427 C A 0006 ALA CA
C A 0005 ASN C 2.946 C A 0006 ALA C
C A 0005 ASN C 3.700 C A 0006 ALA CB
C A 0005 ASN CG 3.785 C A 0070 LEU CD1
C A 0006 ALA C 2.443 C A 0007 VAL CA
C A 0006 ALA C 2.999 C A 0007 VAL C
C A 0006 ALA C 3.724 C A 0007 VAL CB
C A 0006 ALA CB 3.580 E A 0060 TRP CZ3
C A 0006 ALA CB 3.786 E A 0060 TRP CH2
C A 0007 VAL C 2.455 C A 0008 ALA CA
C A 0007 VAL C 3.130 C A 0008 ALA C
C A 0007 VAL C 3.697 C A 0008 ALA CB
C A 0007 VAL CG1 3.790 C A 0019 TYR CD1
C A 0007 VAL CG1 3.799 C A 0019 TYR CD2
C A 0007 VAL CG1 3.723 C A 0019 TYR CE1
C A 0007 VAL CG1 3.754 C A 0019 TYR CZ
C A 0007 VAL CG1 3.642 C A 0066 PHE CE1
C A 0007 VAL CG1 3.765 C A 0066 PHE CE2
C A 0007 VAL CG1 3.377 C A 0066 PHE CZ
C A 0007 VAL CG2 3.672 C A 0066 PHE CG
C A 0007 VAL CG2 3.659 C A 0066 PHE CD1
C A 0007 VAL CG2 3.619 C A 0069 LYS CB
C A 0007 VAL CG2 3.604 E A 0071 ILE CG2
C A 0008 ALA C 2.451 C A 0009 ALA CA
C A 0008 ALA C 3.007 C A 0009 ALA C
C A 0008 ALA C 3.708 C A 0009 ALA CB
C A 0009 ALA C 2.480 C A 0010 ASP CA
C A 0009 ALA C 3.344 C A 0010 ASP C
C A 0009 ALA C 3.625 C A 0010 ASP CB
C A 0010 ASP C 2.431 C A 0011 ASP CA
C A 0010 ASP C 2.986 C A 0011 ASP C
C A 0010 ASP C 3.697 C A 0011 ASP CB
C A 0010 ASP C 3.688 H A 0015 ILE CD1
C A 0011 ASP C 2.462 H A 0012 ALA CA
C A 0011 ASP C 3.006 H A 0012 ALA C
C A 0011 ASP C 3.721 H A 0012 ALA CB
C A 0011 ASP CB 3.734 H A 0014 ALA CB
H A 0012 ALA C 2.431 H A 0013 THR CA
H A 0012 ALA C 3.071 H A 0013 THR C
H A 0012 ALA C 3.691 H A 0013 THR CB
H A 0013 THR C 2.427 H A 0014 ALA CA
H A 0013 THR C 2.953 H A 0014 ALA C
H A 0013 THR C 3.727 H A 0014 ALA CB
H A 0013 THR CG2 3.705 H A 0017 LEU CD1
H A 0013 THR CB 3.661 C A 0066 PHE CE1
H A 0013 THR CG2 3.755 C A 0066 PHE CE1
H A 0013 THR CG2 3.706 C A 0066 PHE CZ
H A 0014 ALA C 2.481 H A 0015 ILE CA
H A 0014 ALA C 3.094 H A 0015 ILE C
H A 0014 ALA C 3.720 H A 0015 ILE CB
H A 0014 ALA CA 3.721 C A 0019 TYR CB
H A 0014 ALA CB 3.533 C A 0019 TYR CB
H A 0014 ALA CB 3.779 C A 0019 TYR CG
H A 0014 ALA CB 3.601 C A 0019 TYR CD1
H A 0015 ILE C 2.449 H A 0016 ALA CA
H A 0015 ILE C 3.111 H A 0016 ALA C
H A 0015 ILE C 3.710 H A 0016 ALA CB
H A 0016 ALA C 2.461 H A 0017 LEU CA
H A 0016 ALA C 3.287 H A 0017 LEU C
H A 0016 ALA C 3.677 H A 0017 LEU CB
H A 0017 LEU C 2.461 C A 0018 LYS CA
H A 0017 LEU C 3.018 C A 0018 LYS C
H A 0017 LEU C 3.141 C A 0018 LYS CB
H A 0017 LEU C 3.521 C A 0018 LYS CG
H A 0017 LEU CD1 3.697 C A 0066 PHE CE2
C A 0018 LYS CA 3.780 C A 0019 TYR CA
C A 0018 LYS C 2.443 C A 0019 TYR CA
C A 0018 LYS C 3.013 C A 0019 TYR C
C A 0018 LYS C 3.685 C A 0019 TYR CB
C A 0018 LYS CB 3.662 C A 0027 GLU CD
C A 0018 LYS CG 3.580 C A 0027 GLU CD
C A 0019 TYR CA 3.786 C A 0020 ASN CA
C A 0019 TYR C 2.440 C A 0020 ASN CA
C A 0019 TYR C 3.629 C A 0020 ASN C
C A 0019 TYR C 3.250 C A 0020 ASN CB
C A 0019 TYR CD1 3.711 C A 0020 ASN CA
C A 0019 TYR CZ 3.751 C A 0021 GLN CG
C A 0019 TYR CE2 3.685 E A 0071 ILE CG2
C A 0019 TYR CA 3.559 C A 0077 CYS CB
C A 0020 ASN C 2.484 C A 0021 GLN CA
C A 0020 ASN C 2.947 C A 0021 GLN C
C A 0020 ASN C 3.715 C A 0021 GLN CB
C A 0021 GLN C 2.430 C A 0022 ASP CA
C A 0021 GLN C 3.114 C A 0022 ASP C
C A 0021 GLN C 3.658 C A 0022 ASP CB
C A 0021 GLN CG 3.756 E A 0060 TRP CH2
C A 0021 GLN CD 3.686 E A 0060 TRP CH2
C A 0021 GLN C 3.691 C A 0075 GLY CA
C A 0022 ASP C 2.465 H A 0023 ALA CA
C A 0022 ASP C 2.950 H A 0023 ALA C
C A 0022 ASP C 3.734 H A 0023 ALA CB
C A 0022 ASP CG 3.614 H A 0025 LYS CB
C A 0022 ASP CG 3.624 H A 0025 LYS CG
H A 0023 ALA C 2.458 H A 0024 THR CA
H A 0023 ALA C 2.994 H A 0024 THR C
H A 0023 ALA C 3.719 H A 0024 THR CB
H A 0023 ALA C 3.738 H A 0028 ARG CZ
H A 0023 ALA CB 3.702 C A 0075 GLY CA
H A 0023 ALA CB 3.583 C A 0075 GLY C
H A 0023 ALA CB 3.447 C A 0076 TRP CB
H A 0024 THR C 2.468 H A 0025 LYS CA
H A 0024 THR C 3.358 H A 0025 LYS C
H A 0024 THR C 3.617 H A 0025 LYS CB
H A 0024 THR C 3.793 H A 0025 LYS CG
H A 0025 LYS CA 3.794 C A 0026 SER CA
H A 0025 LYS C 2.453 C A 0026 SER CA
H A 0025 LYS C 3.463 C A 0026 SER C
H A 0025 LYS C 3.511 C A 0026 SER CB
C A 0026 SER C 2.459 C A 0027 GLU CA
C A 0026 SER C 3.177 C A 0027 GLU C
C A 0026 SER C 3.695 C A 0027 GLU CB
C A 0026 SER CB 3.756 C A 0076 TRP CE3
C A 0027 GLU C 2.455 H A 0028 ARG CA
C A 0027 GLU C 3.025 H A 0028 ARG C
C A 0027 GLU C 3.723 H A 0028 ARG CB
C A 0027 GLU C 3.655 C A 0076 TRP CZ3
C A 0027 GLU C 3.520 C A 0076 TRP CH2
H A 0028 ARG CA 3.795 H A 0029 VAL CA
H A 0028 ARG C 2.438 H A 0029 VAL CA
H A 0028 ARG C 3.003 H A 0029 VAL C
H A 0028 ARG C 3.715 H A 0029 VAL CB
H A 0028 ARG CG 3.304 C A 0076 TRP CG
H A 0028 ARG CG 3.459 C A 0076 TRP CD1
H A 0028 ARG CG 3.249 C A 0076 TRP CD2
H A 0028 ARG CG 3.381 C A 0076 TRP CE2
H A 0028 ARG CD 3.660 C A 0076 TRP CG
H A 0028 ARG CD 3.595 C A 0076 TRP CD1
H A 0029 VAL C 2.462 H A 0030 ALA CA
H A 0029 VAL C 3.038 H A 0030 ALA C
H A 0029 VAL C 3.723 H A 0030 ALA CB
H A 0030 ALA C 2.449 H A 0031 ALA CA
H A 0030 ALA C 3.160 H A 0031 ALA C
H A 0030 ALA C 3.689 H A 0031 ALA CB
H A 0031 ALA C 2.496 C A 0032 ALA CA
H A 0031 ALA C 2.988 C A 0032 ALA C
H A 0031 ALA C 3.278 C A 0032 ALA CB
H A 0031 ALA CB 3.740 C A 0033 ARG CG
C A 0032 ALA C 2.429 C A 0033 ARG CA
C A 0032 ALA C 2.988 C A 0033 ARG C
C A 0032 ALA C 3.716 C A 0033 ARG CB
C A 0033 ARG CA 2.948 C A 0034 PRO CD
C A 0033 ARG C 2.454 C A 0034 PRO CA
C A 0033 ARG C 3.142 C A 0034 PRO C
C A 0033 ARG C 3.648 C A 0034 PRO CB
C A 0033 ARG C 3.676 C A 0034 PRO CG
C A 0033 ARG C 2.489 C A 0034 PRO CD
C A 0033 ARG CB 3.741 C A 0034 PRO CD
C A 0034 PRO C 2.474 C A 0035 GLY CA
C A 0034 PRO C 3.541 C A 0035 GLY C
C A 0035 GLY C 2.472 C A 0036 LEU CA
C A 0035 GLY C 3.634 C A 0036 LEU C
C A 0035 GLY C 3.216 C A 0036 LEU CB
C A 0036 LEU CA 3.039 C A 0037 PRO CD
C A 0036 LEU C 2.435 C A 0037 PRO CA
C A 0036 LEU C 2.971 C A 0037 PRO C
C A 0036 LEU C 3.670 C A 0037 PRO CB
C A 0036 LEU C 3.667 C A 0037 PRO CG
C A 0036 LEU C 2.519 C A 0037 PRO CD
C A 0036 LEU CG 3.598 C A 0037 PRO CD
C A 0036 LEU CD1 3.656 C A 0037 PRO CD
C A 0036 LEU CG 3.677 C A 0040 GLU CB
C A 0036 LEU CD2 3.729 C A 0040 GLU CB
C A 0036 LEU CD2 3.676 H A 0045 ASN CG
C A 0036 LEU CB 3.572 C A 0080 TRP CH2
C A 0037 PRO CA 2.934 C A 0038 PRO CD
C A 0037 PRO C 2.461 C A 0038 PRO CA
C A 0037 PRO C 2.958 C A 0038 PRO C
C A 0037 PRO C 3.672 C A 0038 PRO CB
C A 0037 PRO C 3.693 C A 0038 PRO CG
C A 0037 PRO C 2.492 C A 0038 PRO CD
C A 0037 PRO CB 3.733 C A 0038 PRO CD
C A 0038 PRO C 2.453 C A 0039 GLU CA
C A 0038 PRO C 2.957 C A 0039 GLU C
C A 0038 PRO C 3.681 C A 0039 GLU CB
C A 0039 GLU C 2.476 C A 0040 GLU CA
C A 0039 GLU C 3.159 C A 0040 GLU C
C A 0039 GLU C 3.717 C A 0040 GLU CB
C A 0040 GLU C 2.444 C A 0041 GLN CA
C A 0040 GLU C 3.015 C A 0041 GLN C
C A 0040 GLU C 3.727 C A 0041 GLN CB
C A 0040 GLU C 3.651 C A 0042 HIS CE1
C A 0041 GLN C 2.475 C A 0042 HIS CA
C A 0041 GLN C 3.674 C A 0042 HIS C
C A 0041 GLN C 3.274 C A 0042 HIS CB
C A 0041 GLN C 3.159 C A 0042 HIS CG
C A 0041 GLN C 3.737 C A 0042 HIS CD2
C A 0041 GLN CG 3.752 C A 0080 TRP CD2
C A 0041 GLN CG 3.655 C A 0080 TRP CE2
C A 0041 GLN CG 3.680 C A 0080 TRP CE3
C A 0041 GLN CG 3.573 C A 0080 TRP CZ2
C A 0041 GLN CG 3.567 C A 0080 TRP CZ3
C A 0041 GLN CG 3.521 C A 0080 TRP CH2
C A 0041 GLN CD 3.756 C A 0080 TRP CD2
C A 0041 GLN CD 3.308 C A 0080 TRP CE3
C A 0041 GLN CD 3.418 C A 0080 TRP CZ3
C A 0042 HIS C 2.476 H A 0043 CYS CA
C A 0042 HIS C 2.940 H A 0043 CYS C
C A 0042 HIS C 3.722 H A 0043 CYS CB
C A 0042 HIS CD2 3.766 C A 0074 ASN C
C A 0042 HIS C 3.759 C A 0080 TRP CD1
H A 0043 CYS C 2.485 H A 0044 ALA CA
H A 0043 CYS C 2.996 H A 0044 ALA C
H A 0043 CYS C 3.723 H A 0044 ALA CB
H A 0043 CYS CA 3.638 C A 0046 CYS CB
H A 0043 CYS CB 3.567 E A 0071 ILE CD1
H A 0044 ALA C 2.470 H A 0045 ASN CA
H A 0044 ALA C 3.582 H A 0045 ASN C
H A 0044 ALA C 3.417 H A 0045 ASN CB
H A 0045 ASN C 2.471 C A 0046 CYS CA
H A 0045 ASN C 3.211 C A 0046 CYS C
H A 0045 ASN C 3.638 C A 0046 CYS CB
C A 0046 CYS C 2.453 C A 0047 GLN CA
C A 0046 CYS C 3.050 C A 0047 GLN C
C A 0046 CYS C 3.698 C A 0047 GLN CB
C A 0046 CYS CA 3.766 C A 0080 TRP CD1
C A 0046 CYS CB 3.631 C A 0080 TRP CD1
C A 0047 GLN C 2.469 C A 0048 PHE CA
C A 0047 GLN C 3.195 C A 0048 PHE C
C A 0047 GLN C 3.671 C A 0048 PHE CB
C A 0048 PHE C 2.494 E A 0049 MET CA
C A 0048 PHE C 3.593 E A 0049 MET C
C A 0048 PHE C 3.401 E A 0049 MET CB
C A 0048 PHE CA 3.561 C A 0064 GLN CB
C A 0048 PHE C 3.337 C A 0064 GLN CB
E A 0049 MET C 2.476 E A 0050 GLN CA
E A 0049 MET C 3.655 E A 0050 GLN C
E A 0049 MET C 3.393 E A 0050 GLN CB
E A 0049 MET C 3.450 E A 0050 GLN CG
E A 0050 GLN CA 3.770 C A 0051 ALA CA
E A 0050 GLN C 2.427 C A 0051 ALA CA
E A 0050 GLN C 3.142 C A 0051 ALA C
E A 0050 GLN C 3.669 C A 0051 ALA CB
C A 0051 ALA C 2.484 C A 0052 ASP CA
C A 0051 ALA C 3.661 C A 0052 ASP C
C A 0051 ALA C 3.218 C A 0052 ASP CB
C A 0052 ASP C 2.477 C A 0053 ALA CA
C A 0052 ASP C 3.528 C A 0053 ALA C
C A 0052 ASP C 3.500 C A 0053 ALA CB
C A 0053 ALA C 2.465 C A 0054 ALA CA
C A 0053 ALA C 3.062 C A 0054 ALA C
C A 0053 ALA C 3.715 C A 0054 ALA CB
C A 0054 ALA CA 3.798 C A 0055 GLY CA
C A 0054 ALA C 2.458 C A 0055 GLY CA
C A 0054 ALA C 3.278 C A 0055 GLY C
C A 0055 GLY C 2.445 C A 0056 ALA CA
C A 0055 GLY C 2.928 C A 0056 ALA C
C A 0055 GLY C 3.707 C A 0056 ALA CB
C A 0056 ALA C 2.461 C A 0057 THR CA
C A 0056 ALA C 3.294 C A 0057 THR C
C A 0056 ALA C 3.618 C A 0057 THR CB
C A 0056 ALA C 3.778 C A 0057 THR CG2
C A 0057 THR C 2.453 C A 0058 ASP CA
C A 0057 THR C 3.597 C A 0058 ASP C
C A 0057 THR C 3.387 C A 0058 ASP CB
C A 0058 ASP C 2.453 C A 0059 GLU CA
C A 0058 ASP C 3.076 C A 0059 GLU C
C A 0058 ASP C 3.736 C A 0059 GLU CB
C A 0058 ASP CA 3.737 E A 0061 LYS CE
C A 0059 GLU C 2.462 E A 0060 TRP CA
C A 0059 GLU C 3.433 E A 0060 TRP C
C A 0059 GLU C 3.509 E A 0060 TRP CB
C A 0059 GLU C 3.630 E A 0060 TRP CG
C A 0059 GLU C 3.645 E A 0060 TRP CD1
E A 0060 TRP C 2.515 E A 0061 LYS CA
E A 0060 TRP C 3.567 E A 0061 LYS C
E A 0060 TRP C 3.505 E A 0061 LYS CB
E A 0060 TRP C 3.636 E A 0061 LYS CD
E A 0060 TRP CE3 3.328 E A 0071 ILE C
E A 0060 TRP CZ3 3.694 E A 0071 ILE C
E A 0060 TRP CE3 3.640 E A 0072 ASN CA
E A 0060 TRP CZ3 3.795 E A 0072 ASN CB
E A 0061 LYS C 2.436 E A 0062 GLY CA
E A 0061 LYS C 3.248 E A 0062 GLY C
E A 0061 LYS C 3.364 C A 0070 LEU CD2
E A 0061 LYS CB 3.774 C A 0073 VAL CG1
E A 0062 GLY C 2.479 E A 0063 CYS CA
E A 0062 GLY C 3.353 E A 0063 CYS C
E A 0062 GLY C 3.557 E A 0063 CYS CB
E A 0062 GLY C 3.706 E A 0071 ILE CG1
E A 0063 CYS C 2.423 C A 0064 GLN CA
E A 0063 CYS C 3.037 C A 0064 GLN C
E A 0063 CYS C 3.691 C A 0064 GLN CB
E A 0063 CYS CB 3.634 C A 0066 PHE CB
E A 0063 CYS CB 3.725 E A 0071 ILE CG1
C A 0064 GLN C 2.469 C A 0065 LEU CA
C A 0064 GLN C 3.191 C A 0065 LEU C
C A 0064 GLN C 3.720 C A 0065 LEU CB
C A 0065 LEU C 2.474 C A 0066 PHE CA
C A 0065 LEU C 3.478 C A 0066 PHE C
C A 0065 LEU C 3.578 C A 0066 PHE CB
C A 0065 LEU C 3.389 C A 0067 PRO CD
C A 0065 LEU CD1 3.737 C A 0079 SER CB
C A 0066 PHE CA 2.985 C A 0067 PRO CD
C A 0066 PHE C 2.423 C A 0067 PRO CA
C A 0066 PHE C 2.995 C A 0067 PRO C
C A 0066 PHE C 3.653 C A 0067 PRO CB
C A 0066 PHE C 3.677 C A 0067 PRO CG
C A 0066 PHE C 2.514 C A 0067 PRO CD
C A 0067 PRO C 2.462 C A 0068 GLY CA
C A 0067 PRO C 3.199 C A 0068 GLY C
C A 0068 GLY C 2.452 C A 0069 LYS CA
C A 0068 GLY C 3.165 C A 0069 LYS C
C A 0068 GLY C 3.705 C A 0069 LYS CB
C A 0069 LYS C 2.466 C A 0070 LEU CA
C A 0069 LYS C 3.571 C A 0070 LEU C
C A 0069 LYS C 3.407 C A 0070 LEU CB
C A 0069 LYS C 3.576 C A 0070 LEU CG
C A 0070 LEU C 2.460 E A 0071 ILE CA
C A 0070 LEU C 3.294 E A 0071 ILE C
C A 0070 LEU C 3.651 E A 0071 ILE CB
E A 0071 ILE CA 3.796 E A 0072 ASN CA
E A 0071 ILE C 2.422 E A 0072 ASN CA
E A 0071 ILE C 3.067 E A 0072 ASN C
E A 0071 ILE C 3.714 E A 0072 ASN CB
E A 0072 ASN C 2.451 C A 0073 VAL CA
E A 0072 ASN C 3.000 C A 0073 VAL C
E A 0072 ASN C 3.754 C A 0073 VAL CB
C A 0073 VAL C 2.458 C A 0074 ASN CA
C A 0073 VAL C 3.267 C A 0074 ASN C
C A 0073 VAL C 3.654 C A 0074 ASN CB
C A 0074 ASN C 2.472 C A 0075 GLY CA
C A 0074 ASN C 3.319 C A 0075 GLY C
C A 0075 GLY C 2.436 C A 0076 TRP CA
C A 0075 GLY C 3.633 C A 0076 TRP C
C A 0075 GLY C 3.221 C A 0076 TRP CB
C A 0076 TRP C 2.484 C A 0077 CYS CA
C A 0076 TRP C 3.608 C A 0077 CYS C
C A 0076 TRP C 3.379 C A 0077 CYS CB
C A 0076 TRP CD2 3.737 C A 0077 CYS CA
C A 0076 TRP CD2 3.451 C A 0077 CYS C
C A 0076 TRP CE2 3.753 C A 0077 CYS C
C A 0076 TRP CE3 3.425 C A 0077 CYS CA
C A 0076 TRP CE3 3.308 C A 0077 CYS C
C A 0076 TRP CZ3 3.524 C A 0077 CYS C
C A 0076 TRP CZ2 3.764 C A 0078 ALA CA
C A 0076 TRP CZ3 3.765 C A 0078 ALA CA
C A 0076 TRP CH2 3.423 C A 0078 ALA CA
C A 0076 TRP CD1 3.793 C A 0080 TRP CG
C A 0076 TRP CD1 3.719 C A 0080 TRP CD1
C A 0077 CYS C 2.482 C A 0078 ALA CA
C A 0077 CYS C 3.013 C A 0078 ALA C
C A 0077 CYS C 3.745 C A 0078 ALA CB
C A 0078 ALA C 2.452 C A 0079 SER CA
C A 0078 ALA C 3.139 C A 0079 SER C
C A 0078 ALA C 3.690 C A 0079 SER CB
C A 0079 SER C 2.449 C A 0080 TRP CA
C A 0079 SER C 3.184 C A 0080 TRP C
C A 0079 SER C 3.646 C A 0080 TRP CB
C A 0080 TRP C 2.493 C A 0081 THR CA
C A 0080 TRP C 3.167 C A 0081 THR C
C A 0080 TRP C 3.033 C A 0081 THR CB
C A 0080 TRP CD2 3.786 C A 0081 THR CA
C A 0080 TRP CD2 3.610 C A 0081 THR C
C A 0080 TRP CE2 3.778 C A 0081 THR C
C A 0080 TRP CE3 3.489 C A 0081 THR CA
C A 0080 TRP CE3 3.594 C A 0081 THR C
C A 0080 TRP CZ3 3.729 C A 0081 THR C
C A 0080 TRP CZ2 3.419 C A 0082 LEU CA
C A 0080 TRP CH2 3.361 C A 0082 LEU CA
C A 0080 TRP CH2 3.455 C A 0082 LEU CB
C A 0080 TRP CH2 3.578 C A 0082 LEU CG
C A 0081 THR C 2.447 C A 0082 LEU CA
C A 0081 THR C 2.996 C A 0082 LEU C
C A 0081 THR C 3.716 C A 0082 LEU CB
C A 0082 LEU CA 3.767 C A 0083 LYS CA
C A 0082 LEU C 2.466 C A 0083 LYS CA
C A 0082 LEU C 3.008 C A 0083 LYS C
C A 0082 LEU C 3.714 C A 0083 LYS CB
C A 0083 LYS C 2.475 C A 0084 ALA CA
C A 0083 LYS C 3.382 C A 0084 ALA C
C A 0083 LYS C 3.579 C A 0084 ALA CB
C A 0083 LYS CG 3.660 C A 0085 GLY C
C A 0084 ALA C 2.479 C A 0085 GLY CA
C A 0084 ALA C 3.581 C A 0085 GLY C
CHARGE_ATTR 2.00 12.00 46
C A 0010 ASP OD1 10.64 C A 0018 LYS NZ
C A 0010 ASP OD1 11.03 C A 0069 LYS NZ
C A 0010 ASP OD2 9.796 C A 0069 LYS NZ
C A 0011 ASP OD1 10.87 C A 0018 LYS NZ
C A 0011 ASP OD1 4.568 C A 0069 LYS NZ
C A 0011 ASP OD2 2.557 C A 0069 LYS NZ
C A 0022 ASP OD1 3.609 H A 0025 LYS NZ
C A 0022 ASP OD2 2.557 H A 0025 LYS NZ
C A 0022 ASP OD1 7.846 H A 0028 ARG NH1
C A 0022 ASP OD1 6.831 H A 0028 ARG NH2
C A 0022 ASP OD2 9.976 H A 0028 ARG NH1
C A 0022 ASP OD2 8.963 H A 0028 ARG NH2
C A 0022 ASP OD1 10.61 C A 0042 HIS ND1
C A 0022 ASP OD1 8.758 C A 0042 HIS NE2
C A 0022 ASP OD2 10.54 C A 0042 HIS NE2
C A 0027 GLU OE1 6.034 C A 0018 LYS NZ
C A 0027 GLU OE2 4.831 C A 0018 LYS NZ
C A 0027 GLU OE1 9.203 C A 0033 ARG NH1
C A 0027 GLU OE1 10.47 C A 0033 ARG NH2
C A 0027 GLU OE2 11.10 C A 0033 ARG NH1
C A 0039 GLU OE1 7.251 H A 0028 ARG NH1
C A 0039 GLU OE1 5.986 H A 0028 ARG NH2
C A 0039 GLU OE2 8.356 H A 0028 ARG NH1
C A 0039 GLU OE2 7.305 H A 0028 ARG NH2
C A 0039 GLU OE1 10.13 C A 0042 HIS ND1
C A 0039 GLU OE1 8.657 C A 0042 HIS NE2
C A 0039 GLU OE2 11.16 C A 0042 HIS ND1
C A 0039 GLU OE2 10.01 C A 0042 HIS NE2
C A 0040 GLU OE1 6.994 H A 0028 ARG NH1
C A 0040 GLU OE1 7.587 H A 0028 ARG NH2
C A 0040 GLU OE2 7.656 H A 0028 ARG NH1
C A 0040 GLU OE2 8.267 H A 0028 ARG NH2
C A 0040 GLU OE1 7.611 C A 0042 HIS ND1
C A 0040 GLU OE1 7.478 C A 0042 HIS NE2
C A 0040 GLU OE2 7.452 C A 0042 HIS ND1
C A 0040 GLU OE2 7.228 C A 0042 HIS NE2
C A 0058 ASP OD1 2.553 E A 0061 LYS NZ
C A 0058 ASP OD2 4.626 E A 0061 LYS NZ
C A 0059 GLU OE1 11.95 H A 0028 ARG NH1
C A 0059 GLU OE2 11.85 H A 0028 ARG NH1
C A 0059 GLU OE1 9.449 C A 0042 HIS ND1
C A 0059 GLU OE1 9.234 C A 0042 HIS NE2
C A 0059 GLU OE2 8.655 C A 0042 HIS ND1
C A 0059 GLU OE2 8.746 C A 0042 HIS NE2
C A 0059 GLU OE1 8.600 E A 0061 LYS NZ
C A 0059 GLU OE2 7.425 E A 0061 LYS NZ
CHARGE_REPU 2.00 12.00 23
C A 0010 ASP OD1 8.774 C A 0011 ASP OD1
C A 0010 ASP OD1 9.141 C A 0011 ASP OD2
C A 0010 ASP OD2 8.458 C A 0011 ASP OD1
C A 0010 ASP OD2 8.295 C A 0011 ASP OD2
C A 0022 ASP OD1 11.24 C A 0039 GLU OE1
C A 0022 ASP OD1 11.24 C A 0059 GLU OE1
C A 0022 ASP OD2 11.46 C A 0059 GLU OE1
H A 0025 LYS NZ 10.72 H A 0028 ARG NH1
H A 0025 LYS NZ 9.252 H A 0028 ARG NH2
H A 0025 LYS NZ 11.51 C A 0042 HIS NE2
H A 0028 ARG NH1 4.699 C A 0042 HIS ND1
H A 0028 ARG NH1 3.459 C A 0042 HIS NE2
H A 0028 ARG NH2 6.806 C A 0042 HIS ND1
H A 0028 ARG NH2 5.156 C A 0042 HIS NE2
C A 0039 GLU OE1 5.892 C A 0040 GLU OE1
C A 0039 GLU OE1 6.134 C A 0040 GLU OE2
C A 0039 GLU OE2 5.446 C A 0040 GLU OE1
C A 0039 GLU OE2 6.195 C A 0040 GLU OE2
C A 0042 HIS ND1 11.97 E A 0061 LYS NZ
C A 0058 ASP OD1 8.363 C A 0059 GLU OE1
C A 0058 ASP OD1 6.921 C A 0059 GLU OE2
C A 0058 ASP OD2 7.698 C A 0059 GLU OE1
C A 0058 ASP OD2 6.107 C A 0059 GLU OE2
HB_MM 2.00 3.20 139
C A 0002 ALA N 2.261 C A 0001 SER O
C A 0003 PRO N 2.251 C A 0002 ALA O
C A 0004 ALA N 2.247 C A 0003 PRO O
C A 0005 ASN N 2.250 C A 0004 ALA O
C A 0006 ALA N 2.890 C A 0003 PRO O
C A 0006 ALA N 2.237 C A 0005 ASN O
C A 0007 VAL N 2.241 C A 0006 ALA O
C A 0007 VAL N 2.742 C A 0070 LEU O
C A 0008 ALA N 3.165 C A 0006 ALA O
C A 0008 ALA N 2.263 C A 0007 VAL O
C A 0009 ALA N 2.243 C A 0008 ALA O
C A 0010 ASP N 3.069 C A 0008 ALA O
C A 0010 ASP N 2.255 C A 0009 ALA O
C A 0011 ASP N 2.967 C A 0008 ALA O
C A 0011 ASP N 2.237 C A 0010 ASP O
H A 0012 ALA N 2.243 C A 0011 ASP O
H A 0013 THR N 3.184 C A 0011 ASP O
H A 0013 THR N 2.242 H A 0012 ALA O
H A 0014 ALA N 2.908 C A 0011 ASP O
H A 0014 ALA N 2.233 H A 0013 THR O
H A 0015 ILE N 2.767 C A 0011 ASP O
H A 0015 ILE N 3.120 H A 0013 THR O
H A 0015 ILE N 2.251 H A 0014 ALA O
H A 0016 ALA N 3.134 H A 0012 ALA O
H A 0016 ALA N 2.900 H A 0013 THR O
H A 0016 ALA N 2.252 H A 0015 ILE O
H A 0017 LEU N 2.737 H A 0013 THR O
H A 0017 LEU N 3.156 H A 0014 ALA O
H A 0017 LEU N 2.247 H A 0016 ALA O
C A 0018 LYS N 2.691 H A 0014 ALA O
C A 0018 LYS N 2.243 H A 0017 LEU O
C A 0019 TYR N 2.923 H A 0014 ALA O
C A 0019 TYR N 2.254 C A 0018 LYS O
C A 0020 ASN N 2.248 C A 0019 TYR O
C A 0020 ASN N 2.795 C A 0076 TRP O
C A 0021 GLN N 2.264 C A 0020 ASN O
C A 0022 ASP N 2.241 C A 0021 GLN O
H A 0023 ALA N 2.907 C A 0021 GLN O
H A 0023 ALA N 2.248 C A 0022 ASP O
H A 0024 THR N 3.086 C A 0022 ASP O
H A 0024 THR N 2.246 H A 0023 ALA O
H A 0025 LYS N 2.858 C A 0022 ASP O
H A 0025 LYS N 2.245 H A 0024 THR O
C A 0026 SER N 3.118 C A 0022 ASP O
C A 0026 SER N 3.068 H A 0023 ALA O
C A 0026 SER N 2.248 H A 0025 LYS O
C A 0027 GLU N 2.246 C A 0026 SER O
H A 0028 ARG N 2.790 C A 0026 SER O
H A 0028 ARG N 2.236 C A 0027 GLU O
H A 0029 VAL N 2.251 H A 0028 ARG O
H A 0030 ALA N 2.251 H A 0029 VAL O
H A 0031 ALA N 2.832 C A 0027 GLU O
H A 0031 ALA N 3.079 H A 0028 ARG O
H A 0031 ALA N 2.246 H A 0030 ALA O
C A 0032 ALA N 2.757 H A 0028 ARG O
C A 0032 ALA N 2.260 H A 0031 ALA O
C A 0033 ARG N 2.247 C A 0032 ALA O
C A 0034 PRO N 2.247 C A 0033 ARG O
C A 0035 GLY N 2.256 C A 0034 PRO O
C A 0036 LEU N 2.249 C A 0035 GLY O
C A 0037 PRO N 2.248 C A 0036 LEU O
C A 0038 PRO N 2.254 C A 0037 PRO O
C A 0039 GLU N 3.169 C A 0037 PRO O
C A 0039 GLU N 2.236 C A 0038 PRO O
C A 0040 GLU N 3.084 C A 0037 PRO O
C A 0040 GLU N 2.255 C A 0039 GLU O
C A 0041 GLN N 2.985 C A 0037 PRO O
C A 0041 GLN N 2.954 C A 0038 PRO O
C A 0041 GLN N 2.238 C A 0040 GLU O
C A 0042 HIS N 2.244 C A 0041 GLN O
H A 0043 CYS N 2.252 C A 0042 HIS O
H A 0043 CYS N 2.747 C A 0075 GLY O
H A 0044 ALA N 3.125 C A 0042 HIS O
H A 0044 ALA N 2.241 H A 0043 CYS O
H A 0044 ALA N 2.776 C A 0073 VAL O
H A 0045 ASN N 2.894 C A 0042 HIS O
H A 0045 ASN N 2.894 H A 0043 CYS O
H A 0045 ASN N 2.252 H A 0044 ALA O
C A 0046 CYS N 3.169 C A 0042 HIS O
C A 0046 CYS N 2.853 H A 0043 CYS O
C A 0046 CYS N 2.253 H A 0045 ASN O
C A 0047 GLN N 2.244 C A 0046 CYS O
C A 0047 GLN N 2.739 C A 0081 THR O
C A 0048 PHE N 2.246 C A 0047 GLN O
E A 0049 MET N 2.848 C A 0047 GLN O
E A 0049 MET N 2.261 C A 0048 PHE O
E A 0050 GLN N 2.255 E A 0049 MET O
E A 0050 GLN N 2.813 E A 0062 GLY O
C A 0051 ALA N 2.231 E A 0050 GLN O
C A 0052 ASP N 3.050 E A 0050 GLN O
C A 0052 ASP N 2.261 C A 0051 ALA O
C A 0053 ALA N 2.251 C A 0052 ASP O
C A 0054 ALA N 2.254 C A 0053 ALA O
C A 0055 GLY N 3.158 C A 0053 ALA O
C A 0055 GLY N 2.252 C A 0054 ALA O
C A 0056 ALA N 3.067 C A 0053 ALA O
C A 0056 ALA N 2.252 C A 0055 GLY O
C A 0057 THR N 2.254 C A 0056 ALA O
C A 0057 THR N 2.827 E A 0060 TRP O
C A 0058 ASP N 2.253 C A 0057 THR O
C A 0059 GLU N 2.254 C A 0058 ASP O
E A 0060 TRP N 2.244 C A 0059 GLU O
E A 0061 LYS N 2.270 E A 0060 TRP O
E A 0061 LYS N 2.965 E A 0071 ILE O
E A 0062 GLY N 2.779 E A 0050 GLN O
E A 0062 GLY N 2.236 E A 0061 LYS O
E A 0063 CYS N 2.257 E A 0062 GLY O
C A 0064 GLN N 2.928 C A 0048 PHE O
C A 0064 GLN N 2.234 E A 0063 CYS O
C A 0065 LEU N 2.246 C A 0064 GLN O
C A 0066 PHE N 2.251 C A 0065 LEU O
C A 0067 PRO N 2.249 C A 0066 PHE O
C A 0068 GLY N 2.246 C A 0067 PRO O
C A 0069 LYS N 2.761 C A 0067 PRO O
C A 0069 LYS N 2.245 C A 0068 GLY O
C A 0070 LEU N 2.768 C A 0005 ASN O
C A 0070 LEU N 2.251 C A 0069 LYS O
E A 0071 ILE N 2.724 E A 0061 LYS O
E A 0071 ILE N 2.239 C A 0070 LEU O
E A 0072 ASN N 2.251 E A 0071 ILE O
C A 0073 VAL N 2.812 C A 0059 GLU O
C A 0073 VAL N 2.245 E A 0072 ASN O
C A 0074 ASN N 3.181 E A 0072 ASN O
C A 0074 ASN N 2.238 C A 0073 VAL O
C A 0075 GLY N 2.897 E A 0072 ASN O
C A 0075 GLY N 2.249 C A 0074 ASN O
C A 0076 TRP N 2.882 C A 0020 ASN O
C A 0076 TRP N 2.230 C A 0075 GLY O
C A 0077 CYS N 2.271 C A 0076 TRP O
C A 0078 ALA N 2.748 H A 0017 LEU O
C A 0078 ALA N 2.249 C A 0077 CYS O
C A 0079 SER N 2.249 C A 0078 ALA O
C A 0080 TRP N 2.779 C A 0078 ALA O
C A 0080 TRP N 2.243 C A 0079 SER O
C A 0081 THR N 2.239 C A 0080 TRP O
C A 0082 LEU N 2.243 C A 0081 THR O
C A 0083 LYS N 2.258 C A 0082 LEU O
C A 0084 ALA N 2.258 C A 0083 LYS O
C A 0085 GLY N 2.251 C A 0084 ALA O
HB_MS 2.00 3.20 30
C A 0007 VAL O 2.758 C A 0019 TYR OH
H A 0012 ALA N 3.056 C A 0011 ASP OD1
H A 0013 THR N 2.639 C A 0011 ASP OD1
H A 0014 ALA N 2.818 C A 0011 ASP OD1
H A 0015 ILE O 2.708 C A 0018 LYS NZ
C A 0018 LYS O 3.117 C A 0026 SER OG
C A 0021 GLN N 2.829 C A 0020 ASN OD1
C A 0022 ASP N 2.868 C A 0020 ASN OD1
H A 0025 LYS O 2.797 C A 0020 ASN ND2
H A 0025 LYS N 2.680 C A 0022 ASP OD1
C A 0027 GLU N 2.870 C A 0026 SER OG
C A 0033 ARG O 2.685 C A 0041 GLN NE2
C A 0036 LEU O 2.793 C A 0041 GLN NE2
C A 0038 PRO O 2.731 H A 0028 ARG NH1
C A 0039 GLU O 2.682 H A 0028 ARG NH1
C A 0040 GLU O 2.711 C A 0042 HIS ND1
C A 0040 GLU O 2.791 H A 0045 ASN ND2
C A 0041 GLN O 2.662 H A 0028 ARG NH1
C A 0042 HIS N 2.911 H A 0045 ASN OD1
C A 0042 HIS O 2.884 C A 0080 TRP NE1
C A 0058 ASP N 2.656 C A 0057 THR OG1
C A 0058 ASP O 2.696 E A 0061 LYS NZ
E A 0060 TRP N 2.788 C A 0057 THR OG1
E A 0060 TRP O 2.790 C A 0057 THR OG1
C A 0068 GLY O 2.798 C A 0005 ASN ND2
C A 0074 ASN N 2.782 E A 0072 ASN OD1
C A 0078 ALA O 2.683 C A 0033 ARG NH1
C A 0080 TRP O 2.857 C A 0081 THR OG1
C A 0082 LEU O 2.836 C A 0047 GLN NE2
C A 0085 GLY O 2.580 C A 0083 LYS NZ
HB_SS 2.00 3.20 6
C A 0022 ASP OD1 2.611 H A 0024 THR OG1
C A 0042 HIS NE2 2.954 C A 0074 ASN OD1
E A 0050 GLN NE2 2.799 C A 0064 GLN OE1
C A 0059 GLU OE1 2.680 E A 0072 ASN ND2
C A 0076 TRP NE1 2.992 C A 0041 GLN OE1
C A 0080 TRP NE1 2.906 H A 0045 ASN OD1
AROMATIC 0.00 8.00 2
H A 0028 ARG 3.834 C A 0042 HIS
C A 0069 LYS 6.423 C A 0066 PHE