Complet list of 1irz con file
Complete list of 1irz.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 272
C A 0001 THR C 2.422 C A 0002 ALA CA
C A 0001 THR C 3.694 C A 0002 ALA C
C A 0001 THR C 2.934 C A 0002 ALA CB
C A 0002 ALA C 2.422 C A 0003 GLN CA
C A 0002 ALA C 2.880 C A 0003 GLN C
C A 0002 ALA C 3.689 C A 0003 GLN CB
C A 0003 GLN C 2.421 C A 0004 LYS CA
C A 0003 GLN C 3.656 C A 0004 LYS C
C A 0003 GLN C 3.172 C A 0004 LYS CB
C A 0004 LYS C 2.422 C A 0005 LYS CA
C A 0004 LYS C 3.188 C A 0005 LYS C
C A 0004 LYS C 3.651 C A 0005 LYS CB
C A 0005 LYS CA 2.802 C A 0006 PRO CD
C A 0005 LYS C 2.442 C A 0006 PRO CA
C A 0005 LYS C 3.167 C A 0006 PRO C
C A 0005 LYS C 3.606 C A 0006 PRO CB
C A 0005 LYS C 3.650 C A 0006 PRO CG
C A 0005 LYS C 2.455 C A 0006 PRO CD
C A 0005 LYS CB 3.651 C A 0006 PRO CD
C A 0005 LYS CG 3.361 C A 0008 VAL CG2
C A 0005 LYS CD 3.630 C A 0008 VAL CG1
C A 0005 LYS CD 3.375 C A 0008 VAL CG2
C A 0006 PRO C 2.436 C A 0007 ARG CA
C A 0006 PRO C 2.832 C A 0007 ARG C
C A 0006 PRO C 3.175 C A 0007 ARG CB
C A 0006 PRO C 2.803 C A 0007 ARG CG
C A 0007 ARG C 2.421 C A 0008 VAL CA
C A 0007 ARG C 3.025 C A 0008 VAL C
C A 0007 ARG C 3.691 C A 0008 VAL CB
C A 0008 VAL C 2.422 C A 0009 LEU CA
C A 0008 VAL C 3.235 C A 0009 LEU C
C A 0008 VAL C 3.632 C A 0009 LEU CB
C A 0008 VAL CG1 3.671 H A 0011 THR CB
C A 0008 VAL CG1 3.635 H A 0011 THR CG2
C A 0008 VAL CA 3.725 H A 0014 LEU CD1
C A 0008 VAL C 3.118 H A 0014 LEU CD1
C A 0008 VAL CB 3.558 H A 0014 LEU CG
C A 0008 VAL CB 3.122 H A 0014 LEU CD1
C A 0008 VAL CG1 3.410 H A 0014 LEU CG
C A 0008 VAL CG1 3.257 H A 0014 LEU CD1
C A 0009 LEU C 2.422 C A 0010 TRP CA
C A 0009 LEU C 3.668 C A 0010 TRP C
C A 0009 LEU C 3.126 C A 0010 TRP CB
C A 0009 LEU C 3.295 C A 0010 TRP CG
C A 0009 LEU C 3.587 C A 0010 TRP CD1
C A 0010 TRP C 2.422 H A 0011 THR CA
C A 0010 TRP C 3.417 H A 0011 THR C
C A 0010 TRP C 3.512 H A 0011 THR CB
C A 0010 TRP C 3.642 H A 0011 THR CG2
H A 0011 THR C 2.422 H A 0012 HIS CA
H A 0011 THR C 2.935 H A 0012 HIS C
H A 0011 THR C 3.694 H A 0012 HIS CB
H A 0012 HIS C 2.422 H A 0013 GLU CA
H A 0012 HIS C 3.141 H A 0013 GLU C
H A 0012 HIS C 3.665 H A 0013 GLU CB
H A 0013 GLU C 2.422 H A 0014 LEU CA
H A 0013 GLU C 2.951 H A 0014 LEU C
H A 0013 GLU C 3.695 H A 0014 LEU CB
H A 0013 GLU CG 3.790 H A 0017 LYS CE
H A 0014 LEU C 2.423 H A 0015 HIS CA
H A 0014 LEU C 3.143 H A 0015 HIS C
H A 0014 LEU C 3.665 H A 0015 HIS CB
H A 0014 LEU CD2 3.592 C A 0041 VAL CG2
H A 0015 HIS C 2.423 H A 0016 ASN CA
H A 0015 HIS C 3.073 H A 0016 ASN C
H A 0015 HIS C 3.686 H A 0016 ASN CB
H A 0015 HIS C 3.715 H A 0019 LEU CD1
H A 0015 HIS CG 3.727 H A 0019 LEU CD1
H A 0015 HIS CD2 3.709 H A 0019 LEU CG
H A 0015 HIS CD2 2.812 H A 0019 LEU CD1
H A 0016 ASN C 2.420 H A 0017 LYS CA
H A 0016 ASN C 3.077 H A 0017 LYS C
H A 0016 ASN C 3.683 H A 0017 LYS CB
H A 0017 LYS C 2.422 H A 0018 PHE CA
H A 0017 LYS C 3.031 H A 0018 PHE C
H A 0017 LYS C 3.689 H A 0018 PHE CB
H A 0018 PHE C 2.420 H A 0019 LEU CA
H A 0018 PHE C 3.149 H A 0019 LEU C
H A 0018 PHE C 3.666 H A 0019 LEU CB
H A 0018 PHE C 3.774 H A 0022 VAL CG2
H A 0018 PHE CD1 3.583 H A 0022 VAL CG2
H A 0018 PHE CE1 3.254 H A 0022 VAL CG2
H A 0018 PHE CZ 3.451 H A 0022 VAL CG2
H A 0018 PHE CD1 3.675 H A 0049 VAL CG1
H A 0018 PHE CE1 3.228 H A 0049 VAL CG1
H A 0019 LEU C 2.416 H A 0020 ALA CA
H A 0019 LEU C 3.077 H A 0020 ALA C
H A 0019 LEU C 3.679 H A 0020 ALA CB
H A 0020 ALA C 2.416 H A 0021 ALA CA
H A 0020 ALA C 3.113 H A 0021 ALA C
H A 0020 ALA C 3.667 H A 0021 ALA CB
H A 0021 ALA C 2.415 H A 0022 VAL CA
H A 0021 ALA C 3.026 H A 0022 VAL C
H A 0021 ALA C 3.678 H A 0022 VAL CB
H A 0021 ALA C 3.671 H A 0025 LEU CD1
H A 0021 ALA C 3.477 H A 0035 ILE CD1
H A 0021 ALA CA 3.782 H A 0038 LEU CD1
H A 0021 ALA CB 3.551 H A 0038 LEU CB
H A 0021 ALA CB 3.616 H A 0038 LEU CG
H A 0021 ALA CB 3.125 H A 0038 LEU CD1
H A 0021 ALA CB 3.598 H A 0038 LEU CD2
H A 0022 VAL C 2.421 H A 0023 ASP CA
H A 0022 VAL C 2.959 H A 0023 ASP C
H A 0022 VAL C 3.677 H A 0023 ASP CB
H A 0022 VAL CG1 3.401 C A 0027 VAL CA
H A 0022 VAL CG1 3.630 C A 0027 VAL CB
H A 0022 VAL CG1 3.509 C A 0030 ALA CB
H A 0022 VAL CA 3.321 H A 0035 ILE CD1
H A 0022 VAL CG2 3.256 H A 0035 ILE CD1
H A 0023 ASP C 2.422 H A 0024 HIS CA
H A 0023 ASP C 2.952 H A 0024 HIS C
H A 0023 ASP C 3.693 H A 0024 HIS CB
H A 0024 HIS C 2.425 H A 0025 LEU CA
H A 0024 HIS C 3.421 H A 0025 LEU C
H A 0024 HIS C 3.521 H A 0025 LEU CB
H A 0024 HIS C 3.506 H A 0025 LEU CG
H A 0025 LEU C 2.416 H A 0026 GLY CA
H A 0025 LEU C 3.120 H A 0026 GLY C
H A 0025 LEU CD1 3.142 H A 0035 ILE CG1
H A 0025 LEU CD1 3.494 H A 0035 ILE CD1
H A 0025 LEU CD1 3.236 H A 0038 LEU CD1
H A 0026 GLY C 2.425 C A 0027 VAL CA
H A 0026 GLY C 2.911 C A 0027 VAL C
H A 0026 GLY C 3.691 C A 0027 VAL CB
H A 0026 GLY C 3.724 C A 0030 ALA CB
C A 0027 VAL C 2.421 C A 0028 GLU CA
C A 0027 VAL C 3.063 C A 0028 GLU C
C A 0027 VAL C 3.685 C A 0028 GLU CB
C A 0028 GLU C 2.425 C A 0029 ARG CA
C A 0028 GLU C 3.457 C A 0029 ARG C
C A 0028 GLU C 3.488 C A 0029 ARG CB
C A 0028 GLU C 3.561 C A 0029 ARG CG
C A 0029 ARG C 2.422 C A 0030 ALA CA
C A 0029 ARG C 3.139 C A 0030 ALA C
C A 0029 ARG C 3.668 C A 0030 ALA CB
C A 0030 ALA C 2.423 H A 0031 VAL CA
C A 0030 ALA C 3.309 H A 0031 VAL C
C A 0030 ALA C 3.591 H A 0031 VAL CB
C A 0030 ALA C 3.720 H A 0031 VAL CG1
H A 0031 VAL CA 2.788 H A 0032 PRO CD
H A 0031 VAL C 2.437 H A 0032 PRO CA
H A 0031 VAL C 3.141 H A 0032 PRO C
H A 0031 VAL C 3.607 H A 0032 PRO CB
H A 0031 VAL C 3.647 H A 0032 PRO CG
H A 0031 VAL C 2.452 H A 0032 PRO CD
H A 0031 VAL CB 3.256 H A 0032 PRO CD
H A 0031 VAL CG2 3.475 H A 0034 LYS CB
H A 0032 PRO C 2.418 H A 0033 LYS CA
H A 0032 PRO C 3.020 H A 0033 LYS C
H A 0032 PRO C 3.677 H A 0033 LYS CB
H A 0032 PRO CB 3.659 H A 0050 ALA CA
H A 0032 PRO CB 3.735 H A 0050 ALA CB
H A 0032 PRO CG 3.713 H A 0050 ALA CA
H A 0032 PRO CG 3.389 H A 0050 ALA CB
H A 0033 LYS C 2.415 H A 0034 LYS CA
H A 0033 LYS C 3.012 H A 0034 LYS C
H A 0033 LYS C 3.688 H A 0034 LYS CB
H A 0033 LYS CD 3.631 H A 0034 LYS CA
H A 0033 LYS CD 3.654 H A 0034 LYS CG
H A 0034 LYS C 2.406 H A 0035 ILE CA
H A 0034 LYS C 2.960 H A 0035 ILE C
H A 0034 LYS C 3.692 H A 0035 ILE CB
H A 0035 ILE C 2.411 H A 0036 LEU CA
H A 0035 ILE C 2.858 H A 0036 LEU C
H A 0035 ILE C 3.693 H A 0036 LEU CB
H A 0035 ILE CA 3.346 H A 0038 LEU CD1
H A 0035 ILE C 3.798 H A 0038 LEU CB
H A 0035 ILE CB 3.750 H A 0038 LEU CD1
H A 0035 ILE CG1 3.462 H A 0038 LEU CD1
H A 0036 LEU C 2.421 H A 0037 ASP CA
H A 0036 LEU C 3.047 H A 0037 ASP C
H A 0036 LEU C 3.688 H A 0037 ASP CB
H A 0036 LEU CD1 3.697 C A 0044 LEU C
H A 0036 LEU CD1 3.585 H A 0045 THR CA
H A 0036 LEU CD1 3.268 H A 0045 THR C
H A 0036 LEU CD2 3.642 H A 0045 THR C
H A 0036 LEU CD2 3.774 H A 0046 ARG CA
H A 0036 LEU CD2 3.700 H A 0046 ARG CB
H A 0037 ASP C 2.425 H A 0038 LEU CA
H A 0037 ASP C 2.932 H A 0038 LEU C
H A 0037 ASP C 3.698 H A 0038 LEU CB
H A 0038 LEU C 2.423 H A 0039 MET CA
H A 0038 LEU C 3.079 H A 0039 MET C
H A 0038 LEU C 3.683 H A 0039 MET CB
H A 0039 MET C 2.420 H A 0040 ASN CA
H A 0039 MET C 2.925 H A 0040 ASN C
H A 0039 MET C 2.988 H A 0040 ASN CB
H A 0039 MET C 3.638 C A 0041 VAL CG2
H A 0039 MET CE 3.769 C A 0044 LEU CD1
H A 0040 ASN C 2.423 C A 0041 VAL CA
H A 0040 ASN C 3.259 C A 0041 VAL C
H A 0040 ASN C 3.618 C A 0041 VAL CB
H A 0040 ASN C 3.763 C A 0041 VAL CG2
C A 0041 VAL C 2.421 C A 0042 ASP CA
C A 0041 VAL C 3.134 C A 0042 ASP C
C A 0041 VAL C 3.667 C A 0042 ASP CB
C A 0041 VAL CB 3.229 C A 0044 LEU CD1
C A 0041 VAL CG1 3.793 C A 0044 LEU CD1
C A 0041 VAL CG2 3.556 C A 0044 LEU CD1
C A 0042 ASP C 2.425 C A 0043 LYS CA
C A 0042 ASP C 3.116 C A 0043 LYS C
C A 0042 ASP C 2.835 C A 0043 LYS CB
C A 0043 LYS C 2.423 C A 0044 LEU CA
C A 0043 LYS C 3.332 C A 0044 LEU C
C A 0043 LYS C 3.579 C A 0044 LEU CB
C A 0044 LEU C 2.422 H A 0045 THR CA
C A 0044 LEU C 3.424 H A 0045 THR C
C A 0044 LEU C 3.511 H A 0045 THR CB
H A 0045 THR C 2.423 H A 0046 ARG CA
H A 0045 THR C 3.108 H A 0046 ARG C
H A 0045 THR C 3.677 H A 0046 ARG CB
H A 0046 ARG C 2.423 H A 0047 GLU CA
H A 0046 ARG C 3.068 H A 0047 GLU C
H A 0046 ARG C 3.686 H A 0047 GLU CB
H A 0047 GLU C 2.422 H A 0048 ASN CA
H A 0047 GLU C 3.102 H A 0048 ASN C
H A 0047 GLU C 3.675 H A 0048 ASN CB
H A 0048 ASN C 2.420 H A 0049 VAL CA
H A 0048 ASN C 3.157 H A 0049 VAL C
H A 0048 ASN C 3.658 H A 0049 VAL CB
H A 0049 VAL C 2.420 H A 0050 ALA CA
H A 0049 VAL C 3.104 H A 0050 ALA C
H A 0049 VAL C 3.675 H A 0050 ALA CB
H A 0050 ALA C 2.421 H A 0051 SER CA
H A 0050 ALA C 3.113 H A 0051 SER C
H A 0050 ALA C 3.673 H A 0051 SER CB
H A 0051 SER C 2.421 H A 0052 HIS CA
H A 0051 SER C 2.985 H A 0052 HIS C
H A 0051 SER C 3.694 H A 0052 HIS CB
H A 0052 HIS C 2.423 H A 0053 LEU CA
H A 0052 HIS C 3.059 H A 0053 LEU C
H A 0052 HIS C 3.686 H A 0053 LEU CB
H A 0053 LEU C 2.422 H A 0054 GLN CA
H A 0053 LEU C 3.032 H A 0054 GLN C
H A 0053 LEU C 3.692 H A 0054 GLN CB
H A 0054 GLN C 2.422 H A 0055 LYS CA
H A 0054 GLN C 3.131 H A 0055 LYS C
H A 0054 GLN C 3.670 H A 0055 LYS CB
H A 0055 LYS C 2.421 H A 0056 PHE CA
H A 0055 LYS C 3.049 H A 0056 PHE C
H A 0055 LYS C 3.689 H A 0056 PHE CB
H A 0056 PHE C 2.416 H A 0057 ARG CA
H A 0056 PHE C 2.886 H A 0057 ARG C
H A 0056 PHE C 3.695 H A 0057 ARG CB
H A 0056 PHE CD2 3.090 H A 0060 LEU CD1
H A 0056 PHE CE2 3.725 H A 0060 LEU CG
H A 0056 PHE CE2 3.044 H A 0060 LEU CD1
H A 0056 PHE CZ 3.775 H A 0060 LEU CD1
H A 0057 ARG C 2.420 H A 0058 VAL CA
H A 0057 ARG C 2.968 H A 0058 VAL C
H A 0057 ARG C 3.695 H A 0058 VAL CB
H A 0058 VAL C 2.423 H A 0059 ALA CA
H A 0058 VAL C 3.075 H A 0059 ALA C
H A 0058 VAL C 3.682 H A 0059 ALA CB
H A 0059 ALA C 2.429 H A 0060 LEU CA
H A 0059 ALA C 3.240 H A 0060 LEU C
H A 0059 ALA C 3.631 H A 0060 LEU CB
H A 0059 ALA C 3.736 C A 0063 VAL CG1
H A 0060 LEU C 2.422 H A 0061 LYS CA
H A 0060 LEU C 2.972 H A 0061 LYS C
H A 0060 LEU C 3.694 H A 0061 LYS CB
H A 0061 LYS C 2.422 H A 0062 LYS CA
H A 0061 LYS C 3.202 H A 0062 LYS C
H A 0061 LYS C 3.644 H A 0062 LYS CB
H A 0062 LYS C 2.422 C A 0063 VAL CA
H A 0062 LYS C 3.527 C A 0063 VAL C
H A 0062 LYS C 3.405 C A 0063 VAL CB
H A 0062 LYS C 3.661 C A 0063 VAL CG1
H A 0062 LYS C 3.692 C A 0063 VAL CG2
C A 0063 VAL C 2.422 C A 0064 SER CA
C A 0063 VAL C 3.458 C A 0064 SER C
C A 0063 VAL C 3.474 C A 0064 SER CB
CHARGE_ATTR 2.00 12.00 43
H A 0013 GLU OE1 5.553 C A 0005 LYS NZ
H A 0013 GLU OE2 7.565 C A 0005 LYS NZ
H A 0013 GLU OE1 6.427 H A 0012 HIS ND1
H A 0013 GLU OE1 4.545 H A 0012 HIS NE2
H A 0013 GLU OE2 8.127 H A 0012 HIS ND1
H A 0013 GLU OE2 6.476 H A 0012 HIS NE2
H A 0013 GLU OE1 11.62 H A 0015 HIS ND1
H A 0013 GLU OE2 11.80 H A 0015 HIS ND1
H A 0013 GLU OE1 6.342 H A 0017 LYS NZ
H A 0013 GLU OE2 5.434 H A 0017 LYS NZ
H A 0023 ASP OD2 11.26 H A 0015 HIS NE2
H A 0023 ASP OD1 8.246 H A 0024 HIS ND1
H A 0023 ASP OD1 8.370 H A 0024 HIS NE2
H A 0023 ASP OD2 9.868 H A 0024 HIS ND1
H A 0023 ASP OD2 10.27 H A 0024 HIS NE2
C A 0028 GLU OE1 6.315 C A 0029 ARG NH1
C A 0028 GLU OE1 6.598 C A 0029 ARG NH2
C A 0028 GLU OE2 5.653 C A 0029 ARG NH1
C A 0028 GLU OE2 6.306 C A 0029 ARG NH2
C A 0028 GLU OE1 10.04 H A 0057 ARG NH1
C A 0028 GLU OE1 10.16 H A 0057 ARG NH2
C A 0028 GLU OE2 9.150 H A 0057 ARG NH1
C A 0028 GLU OE2 8.931 H A 0057 ARG NH2
H A 0037 ASP OD1 5.004 H A 0033 LYS NZ
H A 0037 ASP OD2 6.308 H A 0033 LYS NZ
H A 0037 ASP OD1 7.480 H A 0034 LYS NZ
H A 0037 ASP OD2 8.093 H A 0034 LYS NZ
H A 0037 ASP OD1 9.500 H A 0046 ARG NH1
H A 0037 ASP OD1 11.34 H A 0046 ARG NH2
H A 0037 ASP OD2 11.16 H A 0046 ARG NH1
C A 0042 ASP OD1 8.665 C A 0007 ARG NH1
C A 0042 ASP OD1 8.973 C A 0007 ARG NH2
C A 0042 ASP OD2 9.086 C A 0007 ARG NH1
C A 0042 ASP OD2 9.646 C A 0007 ARG NH2
C A 0042 ASP OD1 9.545 H A 0017 LYS NZ
C A 0042 ASP OD2 10.48 H A 0017 LYS NZ
C A 0042 ASP OD1 7.222 C A 0043 LYS NZ
C A 0042 ASP OD2 7.455 C A 0043 LYS NZ
H A 0047 GLU OE1 7.028 H A 0046 ARG NH1
H A 0047 GLU OE1 4.983 H A 0046 ARG NH2
H A 0047 GLU OE2 8.605 H A 0046 ARG NH1
H A 0047 GLU OE2 6.435 H A 0046 ARG NH2
H A 0047 GLU OE2 11.24 H A 0055 LYS NZ
CHARGE_REPU 2.00 12.00 33
C A 0005 LYS NZ 5.200 H A 0012 HIS ND1
C A 0005 LYS NZ 3.878 H A 0012 HIS NE2
C A 0005 LYS NZ 11.84 H A 0015 HIS ND1
C A 0005 LYS NZ 9.120 H A 0017 LYS NZ
C A 0007 ARG NH1 4.651 C A 0043 LYS NZ
C A 0007 ARG NH2 6.578 C A 0043 LYS NZ
H A 0012 HIS ND1 9.684 H A 0015 HIS ND1
H A 0012 HIS ND1 10.23 H A 0015 HIS NE2
H A 0012 HIS NE2 10.77 H A 0015 HIS ND1
H A 0012 HIS NE2 11.47 H A 0015 HIS NE2
H A 0012 HIS ND1 11.30 H A 0017 LYS NZ
H A 0012 HIS NE2 9.927 H A 0017 LYS NZ
H A 0015 HIS ND1 11.58 H A 0017 LYS NZ
H A 0015 HIS ND1 7.146 H A 0052 HIS ND1
H A 0015 HIS ND1 5.253 H A 0052 HIS NE2
H A 0015 HIS NE2 8.100 H A 0052 HIS ND1
H A 0015 HIS NE2 6.006 H A 0052 HIS NE2
H A 0024 HIS ND1 10.57 H A 0034 LYS NZ
H A 0024 HIS NE2 11.27 H A 0034 LYS NZ
C A 0029 ARG NH1 10.88 H A 0057 ARG NH1
C A 0029 ARG NH1 11.25 H A 0057 ARG NH2
H A 0033 LYS NZ 5.160 H A 0034 LYS NZ
H A 0033 LYS NZ 8.770 H A 0046 ARG NH1
H A 0033 LYS NZ 10.66 H A 0046 ARG NH2
H A 0052 HIS ND1 6.361 H A 0055 LYS NZ
H A 0052 HIS NE2 8.473 H A 0055 LYS NZ
H A 0052 HIS ND1 10.38 H A 0057 ARG NH1
H A 0052 HIS ND1 11.83 H A 0057 ARG NH2
H A 0052 HIS NE2 10.36 H A 0057 ARG NH1
H A 0052 HIS NE2 11.92 H A 0057 ARG NH2
H A 0057 ARG NH1 11.83 H A 0061 LYS NZ
H A 0057 ARG NH2 10.42 H A 0061 LYS NZ
H A 0061 LYS NZ 7.267 H A 0062 LYS NZ
HB_MM 2.00 3.20 106
C A 0002 ALA N 2.196 C A 0001 THR O
C A 0003 GLN N 2.197 C A 0002 ALA O
C A 0004 LYS N 2.195 C A 0003 GLN O
C A 0005 LYS N 2.197 C A 0004 LYS O
C A 0006 PRO N 2.226 C A 0005 LYS O
C A 0007 ARG N 2.204 C A 0006 PRO O
C A 0008 VAL N 2.196 C A 0007 ARG O
C A 0009 LEU N 2.196 C A 0008 VAL O
C A 0010 TRP N 2.197 C A 0009 LEU O
H A 0011 THR N 2.196 C A 0010 TRP O
H A 0012 HIS N 2.195 H A 0011 THR O
H A 0013 GLU N 2.824 H A 0011 THR O
H A 0013 GLU N 2.197 H A 0012 HIS O
H A 0014 LEU N 2.197 H A 0013 GLU O
H A 0015 HIS N 2.916 H A 0011 THR O
H A 0015 HIS N 2.867 H A 0013 GLU O
H A 0015 HIS N 2.196 H A 0014 LEU O
H A 0016 ASN N 2.861 H A 0013 GLU O
H A 0016 ASN N 2.196 H A 0015 HIS O
H A 0017 LYS N 2.195 H A 0016 ASN O
H A 0018 PHE N 2.196 H A 0017 LYS O
H A 0019 LEU N 3.155 H A 0015 HIS O
H A 0019 LEU N 3.176 H A 0017 LYS O
H A 0019 LEU N 2.193 H A 0018 PHE O
H A 0020 ALA N 3.168 H A 0016 ASN O
H A 0020 ALA N 2.195 H A 0019 LEU O
H A 0021 ALA N 2.897 H A 0017 LYS O
H A 0021 ALA N 2.195 H A 0020 ALA O
H A 0022 VAL N 2.195 H A 0021 ALA O
H A 0023 ASP N 3.064 H A 0019 LEU O
H A 0023 ASP N 2.198 H A 0022 VAL O
H A 0024 HIS N 2.963 H A 0020 ALA O
H A 0024 HIS N 2.197 H A 0023 ASP O
H A 0025 LEU N 2.901 H A 0022 VAL O
H A 0025 LEU N 2.929 H A 0023 ASP O
H A 0025 LEU N 2.198 H A 0024 HIS O
H A 0026 GLY N 2.586 H A 0022 VAL O
H A 0026 GLY N 2.951 H A 0023 ASP O
H A 0026 GLY N 2.192 H A 0025 LEU O
C A 0027 VAL N 2.194 H A 0026 GLY O
C A 0028 GLU N 2.690 H A 0026 GLY O
C A 0028 GLU N 2.195 C A 0027 VAL O
C A 0029 ARG N 2.870 H A 0026 GLY O
C A 0029 ARG N 2.195 C A 0028 GLU O
C A 0030 ALA N 2.656 H A 0026 GLY O
C A 0030 ALA N 2.194 C A 0029 ARG O
H A 0031 VAL N 2.198 C A 0030 ALA O
H A 0032 PRO N 2.225 H A 0031 VAL O
H A 0033 LYS N 2.197 H A 0032 PRO O
H A 0034 LYS N 2.194 H A 0033 LYS O
H A 0035 ILE N 3.174 H A 0031 VAL O
H A 0035 ILE N 2.194 H A 0034 LYS O
H A 0036 LEU N 2.807 H A 0032 PRO O
H A 0036 LEU N 3.119 H A 0033 LYS O
H A 0036 LEU N 3.079 H A 0034 LYS O
H A 0036 LEU N 2.196 H A 0035 ILE O
H A 0037 ASP N 2.966 H A 0034 LYS O
H A 0037 ASP N 2.938 H A 0035 ILE O
H A 0037 ASP N 2.200 H A 0036 LEU O
H A 0038 LEU N 2.648 H A 0035 ILE O
H A 0038 LEU N 2.200 H A 0037 ASP O
H A 0039 MET N 3.084 H A 0035 ILE O
H A 0039 MET N 3.138 H A 0037 ASP O
H A 0039 MET N 2.198 H A 0038 LEU O
H A 0040 ASN N 2.196 H A 0039 MET O
C A 0041 VAL N 2.902 H A 0039 MET O
C A 0041 VAL N 2.197 H A 0040 ASN O
C A 0042 ASP N 2.195 C A 0041 VAL O
C A 0043 LYS N 2.197 C A 0042 ASP O
C A 0044 LEU N 3.079 C A 0042 ASP O
C A 0044 LEU N 2.196 C A 0043 LYS O
H A 0045 THR N 2.197 C A 0044 LEU O
H A 0046 ARG N 2.197 H A 0045 THR O
H A 0047 GLU N 2.197 H A 0046 ARG O
H A 0048 ASN N 2.197 H A 0047 GLU O
H A 0049 VAL N 2.196 H A 0048 ASN O
H A 0050 ALA N 2.937 H A 0046 ARG O
H A 0050 ALA N 2.197 H A 0049 VAL O
H A 0051 SER N 3.188 H A 0047 GLU O
H A 0051 SER N 2.197 H A 0050 ALA O
H A 0052 HIS N 2.197 H A 0051 SER O
H A 0053 LEU N 3.180 H A 0051 SER O
H A 0053 LEU N 2.196 H A 0052 HIS O
H A 0054 GLN N 3.190 H A 0050 ALA O
H A 0054 GLN N 2.196 H A 0053 LEU O
H A 0055 LYS N 2.893 H A 0051 SER O
H A 0055 LYS N 3.144 H A 0053 LEU O
H A 0055 LYS N 2.197 H A 0054 GLN O
H A 0056 PHE N 3.175 H A 0052 HIS O
H A 0056 PHE N 3.139 H A 0053 LEU O
H A 0056 PHE N 2.197 H A 0055 LYS O
H A 0057 ARG N 2.194 H A 0056 PHE O
H A 0058 VAL N 3.083 H A 0056 PHE O
H A 0058 VAL N 2.199 H A 0057 ARG O
H A 0059 ALA N 2.984 H A 0055 LYS O
H A 0059 ALA N 2.765 H A 0056 PHE O
H A 0059 ALA N 2.201 H A 0058 VAL O
H A 0060 LEU N 2.663 H A 0056 PHE O
H A 0060 LEU N 2.888 H A 0057 ARG O
H A 0060 LEU N 3.189 H A 0058 VAL O
H A 0060 LEU N 2.201 H A 0059 ALA O
H A 0061 LYS N 2.932 H A 0057 ARG O
H A 0061 LYS N 2.196 H A 0060 LEU O
H A 0062 LYS N 2.196 H A 0061 LYS O
C A 0063 VAL N 2.196 H A 0062 LYS O
C A 0064 SER N 2.196 C A 0063 VAL O
HB_MS 2.00 3.20 1
H A 0047 GLU O 3.028 H A 0051 SER OG
HB_SS 2.00 3.20 1
H A 0045 THR OG1 2.670 H A 0048 ASN OD1
AROMATIC 0.00 8.00 4
C A 0005 LYS 4.677 H A 0012 HIS
H A 0055 LYS 7.452 H A 0052 HIS
H A 0057 ARG 7.681 H A 0056 PHE
C A 0010 TRP 5.937 H A 0018 PHE