Complet list of 2a7u con file
Complete list of 2a7u.con file
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "A"
HYDROPHOBIC 2.00 3.80 76
C A 0001 MET C 2.444 C A 0002 GLN CA
C A 0001 MET C 3.524 C A 0002 GLN C
C A 0001 MET C 3.414 C A 0002 GLN CB
C A 0002 GLN C 2.453 C A 0003 LEU CA
C A 0002 GLN C 3.741 C A 0003 LEU C
C A 0002 GLN C 2.926 C A 0003 LEU CB
C A 0002 GLN CA 3.530 H A 0007 GLU CB
C A 0002 GLN CG 3.716 H A 0007 GLU CB
C A 0003 LEU C 2.435 H A 0004 ASN CA
C A 0003 LEU C 3.277 H A 0004 ASN C
C A 0003 LEU C 3.593 H A 0004 ASN CB
C A 0003 LEU C 3.637 H A 0004 ASN CG
H A 0004 ASN C 2.451 H A 0005 SER CA
H A 0004 ASN C 2.953 H A 0005 SER C
H A 0004 ASN C 3.637 H A 0005 SER CB
H A 0005 SER C 2.448 H A 0006 THR CA
H A 0005 SER C 3.018 H A 0006 THR C
H A 0005 SER C 3.674 H A 0006 THR CB
H A 0006 THR C 2.437 H A 0007 GLU CA
H A 0006 THR C 3.222 H A 0007 GLU C
H A 0006 THR C 3.609 H A 0007 GLU CB
H A 0007 GLU C 2.448 H A 0008 ILE CA
H A 0007 GLU C 2.992 H A 0008 ILE C
H A 0007 GLU C 3.669 H A 0008 ILE CB
H A 0008 ILE C 2.459 H A 0009 SER CA
H A 0008 ILE C 2.907 H A 0009 SER C
H A 0008 ILE C 3.643 H A 0009 SER CB
H A 0008 ILE CD1 3.732 H A 0011 LEU CB
H A 0008 ILE C 3.783 H A 0012 ILE CG1
H A 0008 ILE CG2 3.706 H A 0012 ILE CG1
H A 0008 ILE CG2 3.177 H A 0012 ILE CD1
H A 0009 SER C 2.432 H A 0010 GLU CA
H A 0009 SER C 2.986 H A 0010 GLU C
H A 0009 SER C 3.665 H A 0010 GLU CB
H A 0010 GLU C 2.423 H A 0011 LEU CA
H A 0010 GLU C 2.934 H A 0011 LEU C
H A 0010 GLU C 3.666 H A 0011 LEU CB
H A 0010 GLU CD 3.342 H A 0013 LYS CE
H A 0011 LEU C 2.445 H A 0012 ILE CA
H A 0011 LEU C 2.994 H A 0012 ILE C
H A 0011 LEU C 3.667 H A 0012 ILE CB
H A 0012 ILE C 2.452 H A 0013 LYS CA
H A 0012 ILE C 2.940 H A 0013 LYS C
H A 0012 ILE C 3.650 H A 0013 LYS CB
H A 0013 LYS C 2.438 H A 0014 GLN CA
H A 0013 LYS C 3.132 H A 0014 GLN C
H A 0013 LYS C 3.641 H A 0014 GLN CB
H A 0014 GLN C 2.442 H A 0015 ARG CA
H A 0014 GLN C 3.263 H A 0015 ARG C
H A 0014 GLN C 3.620 H A 0015 ARG CB
H A 0015 ARG C 2.439 H A 0016 ILE CA
H A 0015 ARG C 2.969 H A 0016 ILE C
H A 0015 ARG C 3.664 H A 0016 ILE CB
H A 0016 ILE C 2.436 H A 0017 ALA CA
H A 0016 ILE C 3.398 H A 0017 ALA C
H A 0016 ILE C 3.516 H A 0017 ALA CB
H A 0017 ALA C 2.441 H A 0018 GLN CA
H A 0017 ALA C 3.605 H A 0018 GLN C
H A 0017 ALA C 3.318 H A 0018 GLN CB
H A 0018 GLN C 2.439 H A 0019 PHE CA
H A 0018 GLN C 3.039 H A 0019 PHE C
H A 0018 GLN C 3.670 H A 0019 PHE CB
H A 0018 GLN CG 3.276 C A 0021 VAL CB
H A 0018 GLN CG 3.716 C A 0021 VAL CG1
H A 0018 GLN CG 3.799 C A 0021 VAL CG2
H A 0019 PHE C 2.443 C A 0020 ASN CA
H A 0019 PHE C 3.230 C A 0020 ASN C
H A 0019 PHE C 3.617 C A 0020 ASN CB
H A 0019 PHE CD2 3.600 C A 0020 ASN CG
C A 0020 ASN C 2.431 C A 0021 VAL CA
C A 0020 ASN C 3.608 C A 0021 VAL C
C A 0020 ASN C 3.250 C A 0021 VAL CB
C A 0020 ASN C 2.978 C A 0021 VAL CG2
C A 0021 VAL C 2.433 C A 0022 VAL CA
C A 0021 VAL C 3.419 C A 0022 VAL C
C A 0021 VAL C 3.489 C A 0022 VAL CB
CHARGE_ATTR 2.00 12.00 5
H A 0007 GLU OE1 11.40 H A 0013 LYS NZ
H A 0007 GLU OE2 11.18 H A 0013 LYS NZ
H A 0007 GLU OE2 11.99 H A 0015 ARG NH1
H A 0010 GLU OE1 2.676 H A 0013 LYS NZ
H A 0010 GLU OE2 2.664 H A 0013 LYS NZ
CHARGE_REPU 2.00 12.00 4
H A 0007 GLU OE1 8.754 H A 0010 GLU OE1
H A 0007 GLU OE1 10.12 H A 0010 GLU OE2
H A 0007 GLU OE2 8.593 H A 0010 GLU OE1
H A 0007 GLU OE2 10.00 H A 0010 GLU OE2
HB_MM 2.00 3.20 40
C A 0002 GLN N 2.207 C A 0001 MET O
C A 0003 LEU N 2.209 C A 0002 GLN O
H A 0004 ASN N 2.197 C A 0003 LEU O
H A 0005 SER N 2.193 H A 0004 ASN O
H A 0006 THR N 2.818 H A 0004 ASN O
H A 0006 THR N 2.193 H A 0005 SER O
H A 0007 GLU N 2.855 H A 0004 ASN O
H A 0007 GLU N 3.049 H A 0005 SER O
H A 0007 GLU N 2.200 H A 0006 THR O
H A 0008 ILE N 2.997 H A 0005 SER O
H A 0008 ILE N 2.204 H A 0007 GLU O
H A 0009 SER N 2.696 H A 0007 GLU O
H A 0009 SER N 2.207 H A 0008 ILE O
H A 0010 GLU N 3.051 H A 0008 ILE O
H A 0010 GLU N 2.200 H A 0009 SER O
H A 0011 LEU N 2.796 H A 0008 ILE O
H A 0011 LEU N 2.203 H A 0010 GLU O
H A 0012 ILE N 2.687 H A 0008 ILE O
H A 0012 ILE N 3.029 H A 0009 SER O
H A 0012 ILE N 2.210 H A 0011 LEU O
H A 0013 LYS N 2.745 H A 0009 SER O
H A 0013 LYS N 2.204 H A 0012 ILE O
H A 0014 GLN N 3.097 H A 0010 GLU O
H A 0014 GLN N 3.007 H A 0012 ILE O
H A 0014 GLN N 2.203 H A 0013 LYS O
H A 0015 ARG N 2.971 H A 0011 LEU O
H A 0015 ARG N 2.859 H A 0012 ILE O
H A 0015 ARG N 2.197 H A 0014 GLN O
H A 0016 ILE N 2.470 H A 0012 ILE O
H A 0016 ILE N 2.195 H A 0015 ARG O
H A 0017 ALA N 3.112 H A 0015 ARG O
H A 0017 ALA N 2.199 H A 0016 ILE O
H A 0018 GLN N 2.919 H A 0014 GLN O
H A 0018 GLN N 2.198 H A 0017 ALA O
H A 0019 PHE N 2.794 H A 0015 ARG O
H A 0019 PHE N 2.197 H A 0018 GLN O
C A 0020 ASN N 2.203 H A 0019 PHE O
C A 0021 VAL N 2.957 H A 0019 PHE O
C A 0021 VAL N 2.196 C A 0020 ASN O
C A 0022 VAL N 2.201 C A 0021 VAL O
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "A"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 37
H A 0005 SER CB 3.735 H B 0003 PHE CD2
H A 0005 SER CB 3.758 H B 0005 THR CB
H A 0005 SER CB 3.678 H B 0005 THR CG2
H A 0008 ILE CG2 3.642 H B 0009 PRO CB
H A 0008 ILE CG2 3.330 H B 0009 PRO CG
H A 0009 SER CA 3.534 H B 0009 PRO CB
H A 0009 SER CB 3.596 H B 0009 PRO CB
H A 0009 SER CA 3.721 H B 0013 ALA CB
H A 0009 SER C 3.667 H B 0013 ALA CB
H A 0012 ILE CD1 3.597 H B 0009 PRO C
H A 0012 ILE CD1 3.572 H B 0009 PRO CB
H A 0012 ILE CG1 3.571 H B 0010 TYR CD1
H A 0012 ILE CG1 3.395 H B 0010 TYR CE1
H A 0012 ILE CG2 3.439 H B 0010 TYR CD1
H A 0012 ILE CD1 3.626 H B 0010 TYR CA
H A 0012 ILE CD1 3.728 H B 0010 TYR CG
H A 0012 ILE CD1 3.175 H B 0010 TYR CD1
H A 0012 ILE CD1 3.457 H B 0010 TYR CE1
H A 0012 ILE CB 3.298 H B 0013 ALA CB
H A 0012 ILE CG2 3.115 H B 0013 ALA CB
H A 0013 LYS CG 3.752 H B 0016 ASP CB
H A 0013 LYS CD 3.411 H B 0016 ASP CB
H A 0013 LYS CD 3.735 H B 0016 ASP CG
H A 0013 LYS CE 3.799 H B 0016 ASP CB
H A 0013 LYS CE 3.579 H B 0016 ASP CG
H A 0016 ILE CG2 3.712 H B 0017 PHE CD1
H A 0016 ILE CG2 3.691 H B 0017 PHE CE1
H A 0016 ILE CD1 3.391 H B 0071 ASN CB
H A 0016 ILE CG1 3.630 H B 0075 LEU CB
H A 0016 ILE CG1 3.297 H B 0075 LEU CD1
H A 0016 ILE CD1 3.663 H B 0075 LEU CB
H A 0017 ALA CB 3.717 H B 0017 PHE CG
H A 0017 ALA CB 3.636 H B 0017 PHE CD2
H A 0019 PHE CB 3.508 H B 0074 ASN CB
H A 0019 PHE CB 3.433 H B 0074 ASN CG
H A 0019 PHE CD1 3.522 H B 0078 VAL CG2
H A 0019 PHE CE1 3.564 H B 0078 VAL CG2
CHARGE_ATTR 2.00 12.00 10
H A 0010 GLU OE1 7.251 H B 0012 LYS NZ
H A 0010 GLU OE2 8.711 H B 0012 LYS NZ
H A 0013 LYS NZ 4.321 H B 0016 ASP OD1
H A 0013 LYS NZ 2.680 H B 0016 ASP OD2
H A 0013 LYS NZ 7.989 H B 0020 GLU OE1
H A 0013 LYS NZ 9.780 H B 0020 GLU OE2
H A 0015 ARG NH1 8.754 H B 0081 GLU OE1
H A 0015 ARG NH1 7.950 H B 0081 GLU OE2
H A 0015 ARG NH2 7.164 H B 0081 GLU OE1
H A 0015 ARG NH2 6.185 H B 0081 GLU OE2
CHARGE_REPU 2.00 12.00 8
H A 0010 GLU OE1 6.356 H B 0016 ASP OD1
H A 0010 GLU OE1 5.179 H B 0016 ASP OD2
H A 0010 GLU OE2 6.981 H B 0016 ASP OD1
H A 0010 GLU OE2 5.255 H B 0016 ASP OD2
H A 0010 GLU OE1 10.41 H B 0020 GLU OE1
H A 0010 GLU OE2 9.050 H B 0020 GLU OE1
H A 0010 GLU OE2 10.47 H B 0020 GLU OE2
H A 0013 LYS NZ 6.916 H B 0012 LYS NZ
HB_MS 2.00 3.20 1
H A 0005 SER OG 2.974 H B 0006 VAL N
AROMATIC 0.00 8.00 1
H A 0019 PHE 7.043 H B 0077 ARG
COMMENT BEGIN
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COMMENT END
CONTACTS BETWEEN
CHAIN(S) "B"
AND
CHAIN(S) "B"
HYDROPHOBIC 2.00 3.80 477
C B 0001 SER C 2.428 C B 0002 GLU CA
C B 0001 SER C 3.615 C B 0002 GLU C
C B 0001 SER C 3.255 C B 0002 GLU CB
C B 0001 SER C 3.800 C B 0002 GLU CG
C B 0002 GLU C 2.423 H B 0003 PHE CA
C B 0002 GLU C 3.140 H B 0003 PHE C
C B 0002 GLU C 3.624 H B 0003 PHE CB
C B 0002 GLU CA 3.445 C B 0084 ARG CD
C B 0002 GLU C 3.703 C B 0084 ARG CD
C B 0002 GLU CG 3.659 C B 0084 ARG CZ
H B 0003 PHE C 2.443 H B 0004 ILE CA
H B 0003 PHE C 2.957 H B 0004 ILE C
H B 0003 PHE C 3.677 H B 0004 ILE CB
H B 0004 ILE C 2.447 H B 0005 THR CA
H B 0004 ILE C 3.035 H B 0005 THR C
H B 0004 ILE C 3.663 H B 0005 THR CB
H B 0005 THR C 2.443 H B 0006 VAL CA
H B 0005 THR C 3.058 H B 0006 VAL C
H B 0005 THR C 3.665 H B 0006 VAL CB
H B 0006 VAL C 2.435 H B 0007 ALA CA
H B 0006 VAL C 3.056 H B 0007 ALA C
H B 0006 VAL C 3.642 H B 0007 ALA CB
H B 0006 VAL C 3.595 H B 0009 PRO CG
H B 0006 VAL C 3.319 H B 0009 PRO CD
H B 0006 VAL C 3.349 H B 0010 TYR CD2
H B 0006 VAL CB 3.729 H B 0010 TYR CE2
H B 0006 VAL CG1 3.498 H B 0010 TYR CD2
H B 0006 VAL CG1 3.358 H B 0010 TYR CE2
H B 0006 VAL CG2 3.609 H B 0010 TYR CD2
H B 0006 VAL CG2 2.988 H B 0010 TYR CE2
H B 0006 VAL CG2 3.675 H B 0010 TYR CZ
H B 0007 ALA C 2.448 H B 0008 ARG CA
H B 0007 ALA C 2.974 H B 0008 ARG C
H B 0007 ALA C 3.667 H B 0008 ARG CB
H B 0007 ALA C 3.518 H B 0009 PRO CD
H B 0007 ALA CB 3.769 H B 0090 ASP CA
H B 0007 ALA CB 3.237 H B 0090 ASP C
H B 0007 ALA CB 3.082 H B 0090 ASP CB
H B 0007 ALA CA 3.456 H B 0091 VAL CG1
H B 0007 ALA CB 3.750 H B 0091 VAL CA
H B 0007 ALA CB 3.322 H B 0091 VAL CG1
H B 0008 ARG CA 2.918 H B 0009 PRO CD
H B 0008 ARG C 2.434 H B 0009 PRO CA
H B 0008 ARG C 3.061 H B 0009 PRO C
H B 0008 ARG C 3.626 H B 0009 PRO CB
H B 0008 ARG C 3.626 H B 0009 PRO CG
H B 0008 ARG C 2.503 H B 0009 PRO CD
H B 0008 ARG CB 3.013 H B 0009 PRO CD
H B 0008 ARG CA 3.789 H B 0094 GLN CG
H B 0008 ARG CG 3.763 H B 0094 GLN CG
H B 0008 ARG CG 3.514 H B 0094 GLN CD
H B 0009 PRO C 2.445 H B 0010 TYR CA
H B 0009 PRO C 2.941 H B 0010 TYR C
H B 0009 PRO C 3.671 H B 0010 TYR CB
H B 0010 TYR C 2.440 H B 0011 ALA CA
H B 0010 TYR C 2.985 H B 0011 ALA C
H B 0010 TYR C 3.652 H B 0011 ALA CB
H B 0010 TYR CE1 3.577 H B 0078 VAL CG1
H B 0010 TYR CZ 3.685 H B 0078 VAL CG1
H B 0010 TYR CE2 3.629 H B 0079 MET CG
H B 0010 TYR CZ 3.537 H B 0079 MET CG
H B 0011 ALA C 2.433 H B 0012 LYS CA
H B 0011 ALA C 3.207 H B 0012 LYS C
H B 0011 ALA C 3.605 H B 0012 LYS CB
H B 0011 ALA CB 3.758 H B 0091 VAL CA
H B 0011 ALA CB 3.690 H B 0091 VAL C
H B 0011 ALA CB 3.420 H B 0094 GLN CB
H B 0012 LYS C 2.443 H B 0013 ALA CA
H B 0012 LYS C 2.927 H B 0013 ALA C
H B 0012 LYS C 3.649 H B 0013 ALA CB
H B 0012 LYS CA 3.293 H B 0098 LEU CD2
H B 0012 LYS CB 3.787 H B 0098 LEU CD2
H B 0012 LYS CG 3.674 H B 0098 LEU CD2
H B 0013 ALA C 2.430 H B 0014 ALA CA
H B 0013 ALA C 3.081 H B 0014 ALA C
H B 0013 ALA C 3.623 H B 0014 ALA CB
H B 0014 ALA C 2.455 H B 0015 PHE CA
H B 0014 ALA C 3.196 H B 0015 PHE C
H B 0014 ALA C 3.629 H B 0015 PHE CB
H B 0014 ALA C 3.366 H B 0027 TRP CZ2
H B 0014 ALA C 3.409 H B 0027 TRP CH2
H B 0014 ALA CB 3.116 H B 0027 TRP CZ2
H B 0014 ALA CB 3.577 H B 0027 TRP CH2
H B 0015 PHE C 2.464 H B 0016 ASP CA
H B 0015 PHE C 2.901 H B 0016 ASP C
H B 0015 PHE C 3.635 H B 0016 ASP CB
H B 0015 PHE CA 3.666 H B 0018 ALA CB
H B 0015 PHE C 3.763 H B 0018 ALA CB
H B 0015 PHE CD2 3.606 H B 0019 VAL CG2
H B 0015 PHE CE2 3.225 H B 0019 VAL CG2
H B 0015 PHE CZ 3.408 H B 0019 VAL CG2
H B 0015 PHE CE1 3.512 H B 0024 VAL CG2
H B 0015 PHE CA 3.664 H B 0027 TRP CZ3
H B 0015 PHE CA 3.605 H B 0027 TRP CH2
H B 0015 PHE CB 3.780 H B 0027 TRP CZ3
H B 0015 PHE CD1 3.770 H B 0027 TRP CZ3
H B 0015 PHE CB 3.400 H B 0098 LEU CD2
H B 0015 PHE CG 3.429 H B 0098 LEU CD2
H B 0015 PHE CD2 3.472 H B 0098 LEU CD2
H B 0016 ASP C 2.439 H B 0017 PHE CA
H B 0016 ASP C 3.121 H B 0017 PHE C
H B 0016 ASP C 3.646 H B 0017 PHE CB
H B 0017 PHE C 2.440 H B 0018 ALA CA
H B 0017 PHE C 2.971 H B 0018 ALA C
H B 0017 PHE C 3.665 H B 0018 ALA CB
H B 0017 PHE CZ 3.325 H B 0071 ASN CB
H B 0017 PHE CZ 3.642 H B 0071 ASN CG
H B 0018 ALA C 2.444 H B 0019 VAL CA
H B 0018 ALA C 3.167 H B 0019 VAL C
H B 0018 ALA C 3.635 H B 0019 VAL CB
H B 0018 ALA C 3.531 H B 0024 VAL CG2
H B 0018 ALA CB 3.721 H B 0027 TRP CD2
H B 0019 VAL C 2.453 H B 0020 GLU CA
H B 0019 VAL C 2.987 H B 0020 GLU C
H B 0019 VAL C 3.663 H B 0020 GLU CB
H B 0019 VAL CA 3.660 H B 0024 VAL CG2
H B 0019 VAL CG2 3.313 H B 0024 VAL CG2
H B 0020 GLU C 2.435 H B 0021 HIS CA
H B 0020 GLU C 3.259 H B 0021 HIS C
H B 0020 GLU C 3.600 H B 0021 HIS CB
H B 0020 GLU C 3.593 H B 0021 HIS CD2
H B 0021 HIS C 2.461 C B 0022 GLN CA
H B 0021 HIS C 2.965 C B 0022 GLN C
H B 0021 HIS C 3.018 C B 0022 GLN CB
C B 0022 GLN C 2.438 H B 0023 SER CA
C B 0022 GLN C 3.206 H B 0023 SER C
C B 0022 GLN C 3.624 H B 0023 SER CB
H B 0023 SER C 2.478 H B 0024 VAL CA
H B 0023 SER C 2.897 H B 0024 VAL C
H B 0023 SER C 3.622 H B 0024 VAL CB
H B 0023 SER C 3.349 H B 0027 TRP CB
H B 0024 VAL C 2.448 H B 0025 GLU CA
H B 0024 VAL C 2.963 H B 0025 GLU C
H B 0024 VAL C 3.661 H B 0025 GLU CB
H B 0024 VAL CA 3.554 H B 0027 TRP CB
H B 0024 VAL C 3.713 H B 0027 TRP CB
H B 0025 GLU C 2.441 H B 0026 ARG CA
H B 0025 GLU C 3.065 H B 0026 ARG C
H B 0025 GLU C 3.659 H B 0026 ARG CB
H B 0026 ARG C 2.444 H B 0027 TRP CA
H B 0026 ARG C 3.034 H B 0027 TRP C
H B 0026 ARG C 3.638 H B 0027 TRP CB
H B 0027 TRP C 2.454 H B 0028 GLN CA
H B 0027 TRP C 2.953 H B 0028 GLN C
H B 0027 TRP C 3.670 H B 0028 GLN CB
H B 0027 TRP CD1 3.705 H B 0030 MET CE
H B 0027 TRP CE2 3.260 H B 0031 LEU CD1
H B 0027 TRP CZ2 3.336 H B 0031 LEU CD1
H B 0027 TRP CZ2 3.668 H B 0031 LEU CD2
H B 0027 TRP CH2 3.400 H B 0031 LEU CD2
H B 0027 TRP CE3 3.626 H B 0095 PHE CE1
H B 0027 TRP CE3 3.666 H B 0095 PHE CZ
H B 0027 TRP CZ3 3.431 H B 0095 PHE CD1
H B 0027 TRP CZ3 3.337 H B 0095 PHE CE1
H B 0027 TRP CZ3 3.756 H B 0095 PHE CZ
H B 0028 GLN C 2.447 H B 0029 ASP CA
H B 0028 GLN C 2.988 H B 0029 ASP C
H B 0028 GLN C 3.655 H B 0029 ASP CB
H B 0028 GLN CA 3.480 H B 0095 PHE CE2
H B 0028 GLN CA 3.441 H B 0095 PHE CZ
H B 0028 GLN CB 3.759 H B 0095 PHE CZ
H B 0028 GLN CD 3.786 H B 0099 ARG CD
H B 0029 ASP C 2.453 H B 0030 MET CA
H B 0029 ASP C 2.930 H B 0030 MET C
H B 0029 ASP C 3.648 H B 0030 MET CB
H B 0030 MET C 2.436 H B 0031 LEU CA
H B 0030 MET C 3.068 H B 0031 LEU C
H B 0030 MET C 3.653 H B 0031 LEU CB
H B 0030 MET CG 3.570 C B 0068 LEU CD2
H B 0031 LEU C 2.433 H B 0032 ALA CA
H B 0031 LEU C 2.975 H B 0032 ALA C
H B 0031 LEU C 3.657 H B 0032 ALA CB
H B 0031 LEU CB 3.643 H B 0095 PHE CD2
H B 0031 LEU CB 3.721 H B 0095 PHE CE2
H B 0031 LEU CD2 3.710 H B 0095 PHE CB
H B 0031 LEU CD2 3.519 H B 0095 PHE CG
H B 0031 LEU CD2 3.157 H B 0095 PHE CD2
H B 0032 ALA C 2.437 H B 0033 PHE CA
H B 0032 ALA C 3.023 H B 0033 PHE C
H B 0032 ALA C 3.660 H B 0033 PHE CB
H B 0033 PHE C 2.439 H B 0034 ALA CA
H B 0033 PHE C 3.000 H B 0034 ALA C
H B 0033 PHE C 3.660 H B 0034 ALA CB
H B 0033 PHE CE2 3.738 H B 0064 CYS CA
H B 0033 PHE CD2 3.709 C B 0067 GLN CD
H B 0034 ALA C 2.441 H B 0035 ALA CA
H B 0034 ALA C 3.042 H B 0035 ALA C
H B 0034 ALA C 3.651 H B 0035 ALA CB
H B 0034 ALA CA 3.439 H B 0060 PHE CZ
H B 0034 ALA C 3.733 H B 0060 PHE CZ
H B 0034 ALA CB 3.794 H B 0060 PHE CE1
H B 0034 ALA CB 3.447 H B 0060 PHE CZ
H B 0034 ALA C 3.530 H B 0088 LEU CG
H B 0034 ALA CB 3.541 H B 0088 LEU CG
H B 0034 ALA CB 3.527 H B 0088 LEU CD1
H B 0035 ALA C 2.428 H B 0036 GLU CA
H B 0035 ALA C 3.099 H B 0036 GLU C
H B 0035 ALA C 3.634 H B 0036 GLU CB
H B 0035 ALA CA 3.701 H B 0088 LEU CB
H B 0035 ALA CB 3.628 H B 0089 PRO CA
H B 0035 ALA CB 3.243 H B 0092 LEU CB
H B 0035 ALA CB 3.655 H B 0092 LEU CG
H B 0035 ALA CB 3.263 H B 0092 LEU CD2
H B 0036 GLU C 2.426 H B 0037 VAL CA
H B 0036 GLU C 3.101 H B 0037 VAL C
H B 0036 GLU C 3.649 H B 0037 VAL CB
H B 0036 GLU CA 3.782 H B 0039 LYS CE
H B 0036 GLU C 3.727 H B 0039 LYS CG
H B 0037 VAL C 2.452 H B 0038 THR CA
H B 0037 VAL C 3.041 H B 0038 THR C
H B 0037 VAL C 3.686 H B 0038 THR CB
H B 0037 VAL CG2 3.568 H B 0043 MET CG
H B 0037 VAL CG1 3.722 H B 0060 PHE CD2
H B 0037 VAL CG1 3.053 H B 0060 PHE CE2
H B 0037 VAL CG1 3.595 H B 0060 PHE CZ
H B 0037 VAL CG2 3.796 H B 0063 VAL CG1
H B 0038 THR C 2.450 H B 0039 LYS CA
H B 0038 THR C 3.293 H B 0039 LYS C
H B 0038 THR C 3.609 H B 0039 LYS CB
H B 0038 THR CG2 3.181 H B 0060 PHE CE2
H B 0038 THR CB 3.483 H B 0088 LEU CB
H B 0038 THR CG2 3.070 H B 0088 LEU CB
H B 0038 THR CB 3.627 H B 0089 PRO CD
H B 0039 LYS C 2.450 H B 0040 ASN CA
H B 0039 LYS C 3.446 H B 0040 ASN C
H B 0039 LYS C 3.472 H B 0040 ASN CB
H B 0040 ASN C 2.465 H B 0041 GLU CA
H B 0040 ASN C 2.881 H B 0041 GLU C
H B 0040 ASN C 3.603 H B 0041 GLU CB
H B 0040 ASN CB 3.690 H B 0043 MET CB
H B 0041 GLU C 2.446 H B 0042 GLN CA
H B 0041 GLU C 3.032 H B 0042 GLN C
H B 0041 GLU C 3.656 H B 0042 GLN CB
H B 0042 GLN C 2.431 H B 0043 MET CA
H B 0042 GLN C 3.071 H B 0043 MET C
H B 0042 GLN C 3.642 H B 0043 MET CB
H B 0043 MET C 2.444 H B 0044 ALA CA
H B 0043 MET C 2.992 H B 0044 ALA C
H B 0043 MET C 3.656 H B 0044 ALA CB
H B 0043 MET CE 3.745 H B 0060 PHE CA
H B 0043 MET CE 3.282 H B 0063 VAL CG1
H B 0044 ALA C 2.444 H B 0045 GLU CA
H B 0044 ALA C 3.013 H B 0045 GLU C
H B 0044 ALA C 3.663 H B 0045 GLU CB
H B 0045 GLU C 2.447 H B 0046 LEU CA
H B 0045 GLU C 2.965 H B 0046 LEU C
H B 0045 GLU C 3.658 H B 0046 LEU CB
H B 0046 LEU C 2.436 H B 0047 LEU CA
H B 0046 LEU C 3.113 H B 0047 LEU C
H B 0046 LEU C 3.642 H B 0047 LEU CB
H B 0047 LEU C 2.440 H B 0048 SER CA
H B 0047 LEU C 3.262 H B 0048 SER C
H B 0047 LEU C 3.602 H B 0048 SER CB
H B 0047 LEU CA 3.620 H B 0056 LEU CB
H B 0047 LEU CD2 3.566 C B 0085 LEU C
H B 0047 LEU CD2 3.630 C B 0085 LEU CB
H B 0047 LEU CD2 3.157 C B 0085 LEU CD1
H B 0047 LEU CD2 3.582 C B 0086 ASN CA
H B 0048 SER C 2.442 C B 0049 GLY CA
H B 0048 SER C 3.432 C B 0049 GLY C
C B 0049 GLY C 2.432 C B 0050 ALA CA
C B 0049 GLY C 3.677 C B 0050 ALA C
C B 0049 GLY C 3.161 C B 0050 ALA CB
C B 0050 ALA C 2.451 C B 0051 LEU CA
C B 0050 ALA C 3.145 C B 0051 LEU C
C B 0050 ALA C 3.653 C B 0051 LEU CB
C B 0051 LEU C 2.441 H B 0052 ALA CA
C B 0051 LEU C 3.170 H B 0052 ALA C
C B 0051 LEU C 3.628 H B 0052 ALA CB
H B 0052 ALA CA 2.858 H B 0053 PRO CD
H B 0052 ALA C 2.445 H B 0053 PRO CA
H B 0052 ALA C 3.121 H B 0053 PRO C
H B 0052 ALA C 3.626 H B 0053 PRO CB
H B 0052 ALA C 3.621 H B 0053 PRO CG
H B 0052 ALA C 2.490 H B 0053 PRO CD
H B 0052 ALA CB 3.728 H B 0054 GLU CD
H B 0053 PRO C 2.440 H B 0054 GLU CA
H B 0053 PRO C 3.022 H B 0054 GLU C
H B 0053 PRO C 3.666 H B 0054 GLU CB
H B 0053 PRO CA 3.787 H B 0056 LEU CD2
H B 0053 PRO C 3.786 H B 0057 ALA CB
H B 0053 PRO CB 3.421 H B 0080 ALA C
H B 0053 PRO CB 3.462 H B 0080 ALA CB
H B 0054 GLU C 2.457 H B 0055 THR CA
H B 0054 GLU C 2.985 H B 0055 THR C
H B 0054 GLU C 3.676 H B 0055 THR CB
H B 0055 THR C 2.435 H B 0056 LEU CA
H B 0055 THR C 3.346 H B 0056 LEU C
H B 0055 THR C 3.564 H B 0056 LEU CB
H B 0056 LEU C 2.446 H B 0057 ALA CA
H B 0056 LEU C 3.080 H B 0057 ALA C
H B 0056 LEU C 3.658 H B 0057 ALA CB
H B 0056 LEU CD1 3.249 H B 0080 ALA CB
H B 0056 LEU CD1 3.066 C B 0085 LEU CB
H B 0056 LEU CD1 3.575 C B 0085 LEU CG
H B 0056 LEU CD1 3.599 C B 0085 LEU CD1
H B 0057 ALA C 2.435 H B 0058 GLU CA
H B 0057 ALA C 3.080 H B 0058 GLU C
H B 0057 ALA C 3.698 H B 0058 GLU CB
H B 0058 GLU C 2.442 H B 0059 SER CA
H B 0058 GLU C 2.968 H B 0059 SER C
H B 0058 GLU C 3.665 H B 0059 SER CB
H B 0058 GLU CA 3.529 H B 0061 ILE CG1
H B 0058 GLU C 3.604 H B 0061 ILE CG1
H B 0059 SER C 2.449 H B 0060 PHE CA
H B 0059 SER C 3.064 H B 0060 PHE C
H B 0059 SER C 3.658 H B 0060 PHE CB
H B 0060 PHE C 2.437 H B 0061 ILE CA
H B 0060 PHE C 2.990 H B 0061 ILE C
H B 0060 PHE C 3.686 H B 0061 ILE CB
H B 0060 PHE C 3.759 H B 0063 VAL CG1
H B 0060 PHE CD1 3.539 H B 0076 ILE CG1
H B 0060 PHE CD1 3.258 H B 0076 ILE CD1
H B 0060 PHE CE1 3.800 H B 0076 ILE CG1
H B 0060 PHE CE1 3.179 H B 0076 ILE CD1
H B 0060 PHE CB 3.706 C B 0085 LEU CD1
H B 0060 PHE CZ 3.701 H B 0088 LEU CG
H B 0060 PHE CZ 3.775 H B 0088 LEU CD2
H B 0061 ILE C 2.440 H B 0062 ALA CA
H B 0061 ILE C 3.124 H B 0062 ALA C
H B 0061 ILE C 3.642 H B 0062 ALA CB
H B 0061 ILE CA 3.691 C B 0068 LEU CD1
H B 0061 ILE CG2 3.535 H B 0076 ILE CB
H B 0061 ILE CG2 3.416 H B 0076 ILE CG1
H B 0061 ILE CG2 3.676 H B 0076 ILE CG2
H B 0062 ALA C 2.445 H B 0063 VAL CA
H B 0062 ALA C 2.992 H B 0063 VAL C
H B 0062 ALA C 3.676 H B 0063 VAL CB
H B 0063 VAL C 2.440 H B 0064 CYS CA
H B 0063 VAL C 3.121 H B 0064 CYS C
H B 0063 VAL C 3.638 H B 0064 CYS CB
H B 0064 CYS C 2.443 C B 0065 GLY CA
H B 0064 CYS C 3.280 C B 0065 GLY C
H B 0064 CYS CB 3.693 C B 0068 LEU CD1
C B 0065 GLY C 2.467 C B 0066 GLU CA
C B 0065 GLY C 2.992 C B 0066 GLU C
C B 0065 GLY C 3.012 C B 0066 GLU CB
C B 0066 GLU C 2.436 C B 0067 GLN CA
C B 0066 GLU C 3.302 C B 0067 GLN C
C B 0066 GLU C 3.578 C B 0067 GLN CB
C B 0067 GLN C 2.439 C B 0068 LEU CA
C B 0067 GLN C 3.547 C B 0068 LEU C
C B 0067 GLN C 3.387 C B 0068 LEU CB
C B 0067 GLN C 3.419 C B 0068 LEU CG
C B 0068 LEU C 2.430 H B 0069 ASP CA
C B 0068 LEU C 3.043 H B 0069 ASP C
C B 0068 LEU C 3.646 H B 0069 ASP CB
H B 0069 ASP C 2.462 H B 0070 GLU CA
H B 0069 ASP C 2.904 H B 0070 GLU C
H B 0069 ASP C 3.662 H B 0070 GLU CB
H B 0070 GLU C 2.448 H B 0071 ASN CA
H B 0070 GLU C 2.997 H B 0071 ASN C
H B 0070 GLU C 3.676 H B 0071 ASN CB
H B 0071 ASN C 2.439 H B 0072 GLY CA
H B 0071 ASN C 2.989 H B 0072 GLY C
H B 0072 GLY C 2.435 H B 0073 GLN CA
H B 0072 GLY C 3.135 H B 0073 GLN C
H B 0072 GLY C 3.633 H B 0073 GLN CB
H B 0073 GLN C 2.446 H B 0074 ASN CA
H B 0073 GLN C 3.080 H B 0074 ASN C
H B 0073 GLN C 3.662 H B 0074 ASN CB
H B 0074 ASN C 2.446 H B 0075 LEU CA
H B 0074 ASN C 3.078 H B 0075 LEU C
H B 0074 ASN C 3.653 H B 0075 LEU CB
H B 0075 LEU C 2.440 H B 0076 ILE CA
H B 0075 LEU C 2.976 H B 0076 ILE C
H B 0075 LEU C 3.667 H B 0076 ILE CB
H B 0076 ILE C 2.430 H B 0077 ARG CA
H B 0076 ILE C 3.009 H B 0077 ARG C
H B 0076 ILE C 3.665 H B 0077 ARG CB
H B 0076 ILE CA 3.721 C B 0085 LEU CD2
H B 0076 ILE CG2 3.651 C B 0085 LEU CD1
H B 0076 ILE CD1 3.586 C B 0085 LEU CD2
H B 0076 ILE CD1 3.731 H B 0088 LEU CD2
H B 0077 ARG C 2.449 H B 0078 VAL CA
H B 0077 ARG C 2.955 H B 0078 VAL C
H B 0077 ARG C 3.672 H B 0078 VAL CB
H B 0078 VAL C 2.438 H B 0079 MET CA
H B 0078 VAL C 2.971 H B 0079 MET C
H B 0078 VAL C 3.645 H B 0079 MET CB
H B 0078 VAL CA 3.777 H B 0081 GLU CB
H B 0078 VAL C 3.747 H B 0081 GLU CB
H B 0079 MET C 2.438 H B 0080 ALA CA
H B 0079 MET C 3.068 H B 0080 ALA C
H B 0079 MET C 3.648 H B 0080 ALA CB
H B 0079 MET CB 3.194 C B 0085 LEU CD2
H B 0079 MET CE 3.388 C B 0085 LEU CD2
H B 0079 MET CE 3.205 H B 0088 LEU CD2
H B 0080 ALA C 2.456 H B 0081 GLU CA
H B 0080 ALA C 2.971 H B 0081 GLU C
H B 0080 ALA C 3.646 H B 0081 GLU CB
H B 0080 ALA CA 3.482 C B 0085 LEU CB
H B 0080 ALA CB 3.734 C B 0085 LEU CB
H B 0081 GLU C 2.443 H B 0082 ASN CA
H B 0081 GLU C 3.280 H B 0082 ASN C
H B 0081 GLU C 3.589 H B 0082 ASN CB
H B 0082 ASN C 2.446 C B 0083 GLY CA
H B 0082 ASN C 3.085 C B 0083 GLY C
C B 0083 GLY C 2.434 C B 0084 ARG CA
C B 0083 GLY C 3.722 C B 0084 ARG C
C B 0083 GLY C 3.052 C B 0084 ARG CB
C B 0084 ARG C 2.454 C B 0085 LEU CA
C B 0084 ARG C 3.029 C B 0085 LEU C
C B 0084 ARG C 3.673 C B 0085 LEU CB
C B 0084 ARG CG 3.606 H B 0087 ALA CB
C B 0085 LEU C 2.433 C B 0086 ASN CA
C B 0085 LEU C 3.113 C B 0086 ASN C
C B 0085 LEU C 3.654 C B 0086 ASN CB
C B 0086 ASN C 2.445 H B 0087 ALA CA
C B 0086 ASN C 3.245 H B 0087 ALA C
C B 0086 ASN C 3.615 H B 0087 ALA CB
H B 0087 ALA C 2.442 H B 0088 LEU CA
H B 0087 ALA C 3.094 H B 0088 LEU C
H B 0087 ALA C 3.656 H B 0088 LEU CB
H B 0087 ALA C 3.331 H B 0089 PRO CD
H B 0087 ALA CA 3.599 H B 0090 ASP CG
H B 0087 ALA CB 3.568 H B 0090 ASP CG
H B 0088 LEU CA 2.967 H B 0089 PRO CD
H B 0088 LEU C 2.433 H B 0089 PRO CA
H B 0088 LEU C 3.036 H B 0089 PRO C
H B 0088 LEU C 3.633 H B 0089 PRO CB
H B 0088 LEU C 3.647 H B 0089 PRO CG
H B 0088 LEU C 2.522 H B 0089 PRO CD
H B 0088 LEU CB 3.351 H B 0089 PRO CD
H B 0089 PRO C 2.448 H B 0090 ASP CA
H B 0089 PRO C 2.923 H B 0090 ASP C
H B 0089 PRO C 3.656 H B 0090 ASP CB
H B 0089 PRO CA 3.720 H B 0092 LEU CB
H B 0090 ASP C 2.452 H B 0091 VAL CA
H B 0090 ASP C 3.263 H B 0091 VAL C
H B 0090 ASP C 3.655 H B 0091 VAL CB
H B 0090 ASP C 3.723 H B 0091 VAL CG1
H B 0091 VAL C 2.451 H B 0092 LEU CA
H B 0091 VAL C 2.957 H B 0092 LEU C
H B 0091 VAL C 3.660 H B 0092 LEU CB
H B 0092 LEU C 2.448 H B 0093 GLU CA
H B 0092 LEU C 2.934 H B 0093 GLU C
H B 0092 LEU C 3.668 H B 0093 GLU CB
H B 0092 LEU CD1 3.513 H B 0096 ILE CD1
H B 0093 GLU C 2.448 H B 0094 GLN CA
H B 0093 GLU C 3.040 H B 0094 GLN C
H B 0093 GLU C 3.655 H B 0094 GLN CB
H B 0094 GLN C 2.462 H B 0095 PHE CA
H B 0094 GLN C 3.036 H B 0095 PHE C
H B 0094 GLN C 3.665 H B 0095 PHE CB
H B 0095 PHE C 2.443 H B 0096 ILE CA
H B 0095 PHE C 2.930 H B 0096 ILE C
H B 0095 PHE C 3.672 H B 0096 ILE CB
H B 0096 ILE C 2.438 H B 0097 HIS CA
H B 0096 ILE C 3.038 H B 0097 HIS C
H B 0096 ILE C 3.654 H B 0097 HIS CB
H B 0097 HIS C 2.436 H B 0098 LEU CA
H B 0097 HIS C 2.946 H B 0098 LEU C
H B 0097 HIS C 3.665 H B 0098 LEU CB
H B 0097 HIS CE1 3.472 H B 0101 VAL CG2
H B 0098 LEU C 2.430 H B 0099 ARG CA
H B 0098 LEU C 2.963 H B 0099 ARG C
H B 0098 LEU C 3.683 H B 0099 ARG CB
H B 0099 ARG C 2.447 H B 0100 ALA CA
H B 0099 ARG C 2.948 H B 0100 ALA C
H B 0099 ARG C 3.668 H B 0100 ALA CB
H B 0099 ARG CZ 3.739 H B 0103 GLU CD
H B 0100 ALA C 2.438 H B 0101 VAL CA
H B 0100 ALA C 3.035 H B 0101 VAL C
H B 0100 ALA C 3.654 H B 0101 VAL CB
H B 0101 VAL C 2.431 H B 0102 SER CA
H B 0101 VAL C 3.074 H B 0102 SER C
H B 0101 VAL C 3.649 H B 0102 SER CB
H B 0102 SER C 2.441 H B 0103 GLU CA
H B 0102 SER C 3.251 H B 0103 GLU C
H B 0102 SER C 3.591 H B 0103 GLU CB
H B 0103 GLU C 2.416 C B 0104 ALA CA
H B 0103 GLU C 3.635 C B 0104 ALA C
H B 0103 GLU C 3.192 C B 0104 ALA CB
C B 0104 ALA C 2.445 C B 0105 THR CA
C B 0104 ALA C 3.513 C B 0105 THR C
C B 0104 ALA C 3.432 C B 0105 THR CB
CHARGE_ATTR 2.00 12.00 77
C B 0002 GLU OE1 4.973 C B 0084 ARG NH1
C B 0002 GLU OE1 5.931 C B 0084 ARG NH2
C B 0002 GLU OE2 3.969 C B 0084 ARG NH1
C B 0002 GLU OE2 4.344 C B 0084 ARG NH2
H B 0016 ASP OD1 5.437 H B 0012 LYS NZ
H B 0016 ASP OD2 6.287 H B 0012 LYS NZ
H B 0016 ASP OD2 11.58 H B 0021 HIS ND1
H B 0016 ASP OD2 11.36 H B 0021 HIS NE2
H B 0016 ASP OD1 11.88 H B 0097 HIS ND1
H B 0020 GLU OE1 7.154 H B 0021 HIS ND1
H B 0020 GLU OE1 5.880 H B 0021 HIS NE2
H B 0020 GLU OE2 6.747 H B 0021 HIS ND1
H B 0020 GLU OE2 4.952 H B 0021 HIS NE2
H B 0025 GLU OE1 11.87 H B 0026 ARG NH1
H B 0025 GLU OE1 11.40 H B 0026 ARG NH2
H B 0025 GLU OE2 11.82 H B 0026 ARG NH1
H B 0025 GLU OE2 11.73 H B 0026 ARG NH2
H B 0025 GLU OE1 8.300 H B 0099 ARG NH1
H B 0025 GLU OE1 8.635 H B 0099 ARG NH2
H B 0025 GLU OE2 9.672 H B 0099 ARG NH1
H B 0025 GLU OE2 10.07 H B 0099 ARG NH2
H B 0029 ASP OD1 8.481 H B 0026 ARG NH1
H B 0029 ASP OD1 6.654 H B 0026 ARG NH2
H B 0029 ASP OD2 7.327 H B 0026 ARG NH1
H B 0029 ASP OD2 5.310 H B 0026 ARG NH2
H B 0029 ASP OD1 11.97 H B 0039 LYS NZ
H B 0029 ASP OD1 10.87 H B 0099 ARG NH1
H B 0029 ASP OD2 10.15 H B 0099 ARG NH1
H B 0036 GLU OE1 2.692 H B 0039 LYS NZ
H B 0036 GLU OE2 4.760 H B 0039 LYS NZ
H B 0041 GLU OE1 10.89 H B 0039 LYS NZ
H B 0041 GLU OE2 11.50 H B 0039 LYS NZ
H B 0054 GLU OE1 9.611 H B 0077 ARG NH1
H B 0054 GLU OE1 8.847 H B 0077 ARG NH2
H B 0054 GLU OE2 9.756 H B 0077 ARG NH1
H B 0054 GLU OE2 8.892 H B 0077 ARG NH2
H B 0058 GLU OE1 5.968 H B 0077 ARG NH1
H B 0058 GLU OE1 4.042 H B 0077 ARG NH2
H B 0058 GLU OE2 8.119 H B 0077 ARG NH1
H B 0058 GLU OE2 6.135 H B 0077 ARG NH2
C B 0066 GLU OE1 11.90 H B 0077 ARG NH2
H B 0069 ASP OD1 10.05 H B 0021 HIS ND1
H B 0069 ASP OD2 9.788 H B 0021 HIS ND1
H B 0069 ASP OD2 11.97 H B 0021 HIS NE2
H B 0069 ASP OD1 6.711 H B 0026 ARG NH1
H B 0069 ASP OD1 8.404 H B 0026 ARG NH2
H B 0069 ASP OD2 6.403 H B 0026 ARG NH1
H B 0069 ASP OD2 7.641 H B 0026 ARG NH2
H B 0070 GLU OE1 7.482 H B 0021 HIS ND1
H B 0070 GLU OE1 8.810 H B 0021 HIS NE2
H B 0070 GLU OE2 9.610 H B 0021 HIS ND1
H B 0070 GLU OE2 10.85 H B 0021 HIS NE2
H B 0081 GLU OE1 8.362 H B 0077 ARG NH1
H B 0081 GLU OE1 9.174 H B 0077 ARG NH2
H B 0081 GLU OE2 10.46 H B 0077 ARG NH1
H B 0081 GLU OE2 11.32 H B 0077 ARG NH2
H B 0090 ASP OD1 10.94 H B 0008 ARG NH2
H B 0090 ASP OD2 10.80 H B 0008 ARG NH1
H B 0090 ASP OD2 9.609 H B 0008 ARG NH2
H B 0090 ASP OD1 10.42 H B 0039 LYS NZ
H B 0090 ASP OD1 6.943 C B 0084 ARG NH1
H B 0090 ASP OD1 5.012 C B 0084 ARG NH2
H B 0090 ASP OD2 6.359 C B 0084 ARG NH1
H B 0090 ASP OD2 4.165 C B 0084 ARG NH2
H B 0093 GLU OE1 10.78 H B 0008 ARG NH2
H B 0093 GLU OE2 11.75 H B 0008 ARG NH2
H B 0093 GLU OE1 8.627 H B 0039 LYS NZ
H B 0093 GLU OE2 7.025 H B 0039 LYS NZ
H B 0093 GLU OE1 10.60 H B 0097 HIS ND1
H B 0093 GLU OE1 10.78 H B 0097 HIS NE2
H B 0093 GLU OE2 11.58 H B 0097 HIS ND1
H B 0103 GLU OE1 11.73 H B 0097 HIS ND1
H B 0103 GLU OE2 11.71 H B 0097 HIS ND1
H B 0103 GLU OE1 4.461 H B 0099 ARG NH1
H B 0103 GLU OE1 2.503 H B 0099 ARG NH2
H B 0103 GLU OE2 4.686 H B 0099 ARG NH1
H B 0103 GLU OE2 3.508 H B 0099 ARG NH2
CHARGE_REPU 2.00 12.00 55
C B 0002 GLU OE1 10.50 H B 0090 ASP OD1
C B 0002 GLU OE1 9.181 H B 0090 ASP OD2
C B 0002 GLU OE2 8.512 H B 0090 ASP OD1
C B 0002 GLU OE2 7.228 H B 0090 ASP OD2
H B 0008 ARG NH1 11.00 H B 0012 LYS NZ
H B 0008 ARG NH2 11.08 H B 0012 LYS NZ
H B 0008 ARG NH1 10.55 H B 0097 HIS ND1
H B 0008 ARG NH1 10.99 H B 0097 HIS NE2
H B 0008 ARG NH2 9.137 H B 0097 HIS ND1
H B 0008 ARG NH2 9.640 H B 0097 HIS NE2
H B 0012 LYS NZ 9.929 H B 0097 HIS ND1
H B 0012 LYS NZ 11.67 H B 0097 HIS NE2
H B 0016 ASP OD1 8.307 H B 0020 GLU OE1
H B 0016 ASP OD1 10.42 H B 0020 GLU OE2
H B 0016 ASP OD2 6.975 H B 0020 GLU OE1
H B 0016 ASP OD2 9.040 H B 0020 GLU OE2
H B 0025 GLU OE1 11.28 H B 0029 ASP OD2
H B 0025 GLU OE2 12.00 H B 0069 ASP OD2
H B 0025 GLU OE1 9.270 H B 0103 GLU OE1
H B 0025 GLU OE1 7.987 H B 0103 GLU OE2
H B 0025 GLU OE2 10.42 H B 0103 GLU OE1
H B 0025 GLU OE2 8.811 H B 0103 GLU OE2
H B 0029 ASP OD1 9.946 H B 0036 GLU OE1
H B 0029 ASP OD1 8.442 H B 0036 GLU OE2
H B 0029 ASP OD2 11.72 H B 0036 GLU OE1
H B 0029 ASP OD2 10.21 H B 0036 GLU OE2
H B 0029 ASP OD1 11.96 H B 0069 ASP OD1
H B 0029 ASP OD1 10.32 H B 0069 ASP OD2
H B 0029 ASP OD2 11.65 H B 0069 ASP OD1
H B 0029 ASP OD2 10.07 H B 0069 ASP OD2
H B 0036 GLU OE1 10.17 H B 0093 GLU OE1
H B 0036 GLU OE1 8.462 H B 0093 GLU OE2
H B 0036 GLU OE2 11.94 H B 0093 GLU OE1
H B 0036 GLU OE2 10.14 H B 0093 GLU OE2
H B 0041 GLU OE1 7.870 H B 0045 GLU OE1
H B 0041 GLU OE1 8.388 H B 0045 GLU OE2
H B 0041 GLU OE2 8.445 H B 0045 GLU OE1
H B 0041 GLU OE2 9.229 H B 0045 GLU OE2
H B 0054 GLU OE1 8.015 H B 0058 GLU OE1
H B 0054 GLU OE1 8.351 H B 0058 GLU OE2
H B 0054 GLU OE2 7.309 H B 0058 GLU OE1
H B 0054 GLU OE2 7.400 H B 0058 GLU OE2
H B 0054 GLU OE1 9.798 H B 0081 GLU OE1
H B 0054 GLU OE1 11.28 H B 0081 GLU OE2
H B 0054 GLU OE2 11.44 H B 0081 GLU OE1
H B 0058 GLU OE1 11.70 C B 0066 GLU OE1
C B 0066 GLU OE1 11.56 H B 0069 ASP OD1
H B 0069 ASP OD1 7.258 H B 0070 GLU OE1
H B 0069 ASP OD1 8.028 H B 0070 GLU OE2
H B 0069 ASP OD2 8.375 H B 0070 GLU OE1
H B 0069 ASP OD2 9.407 H B 0070 GLU OE2
H B 0090 ASP OD1 9.552 H B 0093 GLU OE1
H B 0090 ASP OD1 8.741 H B 0093 GLU OE2
H B 0090 ASP OD2 10.23 H B 0093 GLU OE1
H B 0090 ASP OD2 9.823 H B 0093 GLU OE2
HB_MM 2.00 3.20 208
C B 0002 GLU N 2.199 C B 0001 SER O
H B 0003 PHE N 2.192 C B 0002 GLU O
H B 0004 ILE N 2.738 C B 0002 GLU O
H B 0004 ILE N 2.201 H B 0003 PHE O
H B 0005 THR N 2.963 H B 0003 PHE O
H B 0005 THR N 2.202 H B 0004 ILE O
H B 0006 VAL N 2.837 H B 0003 PHE O
H B 0006 VAL N 3.088 H B 0004 ILE O
H B 0006 VAL N 2.200 H B 0005 THR O
H B 0007 ALA N 3.118 H B 0004 ILE O
H B 0007 ALA N 2.198 H B 0006 VAL O
H B 0008 ARG N 2.209 H B 0007 ALA O
H B 0009 PRO N 2.233 H B 0008 ARG O
H B 0010 TYR N 3.035 H B 0006 VAL O
H B 0010 TYR N 2.207 H B 0009 PRO O
H B 0011 ALA N 2.900 H B 0007 ALA O
H B 0011 ALA N 2.207 H B 0010 TYR O
H B 0012 LYS N 2.966 H B 0009 PRO O
H B 0012 LYS N 3.177 H B 0010 TYR O
H B 0012 LYS N 2.200 H B 0011 ALA O
H B 0013 ALA N 2.562 H B 0009 PRO O
H B 0013 ALA N 2.198 H B 0012 LYS O
H B 0014 ALA N 2.937 H B 0010 TYR O
H B 0014 ALA N 3.012 H B 0012 LYS O
H B 0014 ALA N 2.203 H B 0013 ALA O
H B 0015 PHE N 2.647 H B 0012 LYS O
H B 0015 PHE N 2.205 H B 0014 ALA O
H B 0016 ASP N 2.663 H B 0012 LYS O
H B 0016 ASP N 2.215 H B 0015 PHE O
H B 0017 PHE N 3.161 H B 0015 PHE O
H B 0017 PHE N 2.204 H B 0016 ASP O
H B 0018 ALA N 2.854 H B 0015 PHE O
H B 0018 ALA N 2.205 H B 0017 PHE O
H B 0019 VAL N 2.906 H B 0015 PHE O
H B 0019 VAL N 2.961 H B 0017 PHE O
H B 0019 VAL N 2.207 H B 0018 ALA O
H B 0020 GLU N 3.147 H B 0017 PHE O
H B 0020 GLU N 2.209 H B 0019 VAL O
H B 0021 HIS N 3.198 H B 0017 PHE O
H B 0021 HIS N 2.196 H B 0020 GLU O
C B 0022 GLN N 2.876 H B 0019 VAL O
C B 0022 GLN N 2.208 H B 0021 HIS O
H B 0023 SER N 2.624 H B 0018 ALA O
H B 0023 SER N 2.893 H B 0021 HIS O
H B 0023 SER N 2.197 C B 0022 GLN O
H B 0024 VAL N 2.851 H B 0018 ALA O
H B 0024 VAL N 2.214 H B 0023 SER O
H B 0025 GLU N 2.752 H B 0023 SER O
H B 0025 GLU N 2.205 H B 0024 VAL O
H B 0026 ARG N 2.953 H B 0023 SER O
H B 0026 ARG N 2.201 H B 0025 GLU O
H B 0027 TRP N 2.551 H B 0023 SER O
H B 0027 TRP N 2.200 H B 0026 ARG O
H B 0028 GLN N 2.810 H B 0024 VAL O
H B 0028 GLN N 2.211 H B 0027 TRP O
H B 0029 ASP N 3.149 H B 0027 TRP O
H B 0029 ASP N 2.211 H B 0028 GLN O
H B 0030 MET N 3.078 H B 0027 TRP O
H B 0030 MET N 2.213 H B 0029 ASP O
H B 0031 LEU N 3.196 H B 0027 TRP O
H B 0031 LEU N 3.138 H B 0029 ASP O
H B 0031 LEU N 2.203 H B 0030 MET O
H B 0032 ALA N 2.853 H B 0028 GLN O
H B 0032 ALA N 2.921 H B 0029 ASP O
H B 0032 ALA N 2.204 H B 0031 LEU O
H B 0033 PHE N 2.758 H B 0029 ASP O
H B 0033 PHE N 2.207 H B 0032 ALA O
H B 0034 ALA N 2.841 H B 0030 MET O
H B 0034 ALA N 2.205 H B 0033 PHE O
H B 0035 ALA N 2.743 H B 0031 LEU O
H B 0035 ALA N 2.201 H B 0034 ALA O
H B 0036 GLU N 3.011 H B 0032 ALA O
H B 0036 GLU N 3.168 H B 0033 PHE O
H B 0036 GLU N 2.205 H B 0035 ALA O
H B 0037 VAL N 3.061 H B 0033 PHE O
H B 0037 VAL N 2.199 H B 0036 GLU O
H B 0038 THR N 3.190 H B 0034 ALA O
H B 0038 THR N 2.200 H B 0037 VAL O
H B 0039 LYS N 2.210 H B 0038 THR O
H B 0040 ASN N 3.083 H B 0037 VAL O
H B 0040 ASN N 2.207 H B 0039 LYS O
H B 0041 GLU N 2.213 H B 0040 ASN O
H B 0042 GLN N 2.952 H B 0040 ASN O
H B 0042 GLN N 2.201 H B 0041 GLU O
H B 0043 MET N 2.731 H B 0040 ASN O
H B 0043 MET N 2.195 H B 0042 GLN O
H B 0044 ALA N 2.636 H B 0040 ASN O
H B 0044 ALA N 2.207 H B 0043 MET O
H B 0045 GLU N 2.209 H B 0044 ALA O
H B 0046 LEU N 2.208 H B 0045 GLU O
H B 0047 LEU N 2.935 H B 0043 MET O
H B 0047 LEU N 3.193 H B 0044 ALA O
H B 0047 LEU N 3.124 H B 0045 GLU O
H B 0047 LEU N 2.207 H B 0046 LEU O
H B 0048 SER N 2.998 H B 0044 ALA O
H B 0048 SER N 2.198 H B 0047 LEU O
C B 0049 GLY N 3.087 H B 0047 LEU O
C B 0049 GLY N 2.202 H B 0048 SER O
C B 0050 ALA N 2.194 C B 0049 GLY O
C B 0051 LEU N 2.207 C B 0050 ALA O
H B 0052 ALA N 2.204 C B 0051 LEU O
H B 0053 PRO N 2.238 H B 0052 ALA O
H B 0054 GLU N 2.196 H B 0053 PRO O
H B 0055 THR N 2.203 H B 0054 GLU O
H B 0056 LEU N 3.100 H B 0054 GLU O
H B 0056 LEU N 2.197 H B 0055 THR O
H B 0057 ALA N 2.633 H B 0053 PRO O
H B 0057 ALA N 3.180 H B 0054 GLU O
H B 0057 ALA N 2.201 H B 0056 LEU O
H B 0058 GLU N 2.198 H B 0057 ALA O
H B 0059 SER N 2.199 H B 0058 GLU O
H B 0060 PHE N 3.169 H B 0056 LEU O
H B 0060 PHE N 2.208 H B 0059 SER O
H B 0061 ILE N 2.197 H B 0060 PHE O
H B 0062 ALA N 2.978 H B 0058 GLU O
H B 0062 ALA N 3.034 H B 0060 PHE O
H B 0062 ALA N 2.204 H B 0061 ILE O
H B 0063 VAL N 2.980 H B 0059 SER O
H B 0063 VAL N 2.205 H B 0062 ALA O
H B 0064 CYS N 2.911 H B 0062 ALA O
H B 0064 CYS N 2.201 H B 0063 VAL O
C B 0065 GLY N 2.795 H B 0062 ALA O
C B 0065 GLY N 2.201 H B 0064 CYS O
C B 0066 GLU N 2.211 C B 0065 GLY O
C B 0067 GLN N 2.723 C B 0065 GLY O
C B 0067 GLN N 2.193 C B 0066 GLU O
C B 0068 LEU N 3.186 C B 0066 GLU O
C B 0068 LEU N 2.201 C B 0067 GLN O
H B 0069 ASP N 2.203 C B 0068 LEU O
H B 0070 GLU N 2.210 H B 0069 ASP O
H B 0071 ASN N 2.996 H B 0069 ASP O
H B 0071 ASN N 2.205 H B 0070 GLU O
H B 0072 GLY N 2.674 H B 0069 ASP O
H B 0072 GLY N 3.092 H B 0070 GLU O
H B 0072 GLY N 2.201 H B 0071 ASN O
H B 0073 GLN N 2.943 H B 0070 GLU O
H B 0073 GLN N 2.201 H B 0072 GLY O
H B 0074 ASN N 2.896 H B 0070 GLU O
H B 0074 ASN N 2.207 H B 0073 GLN O
H B 0075 LEU N 2.740 H B 0071 ASN O
H B 0075 LEU N 2.204 H B 0074 ASN O
H B 0076 ILE N 2.202 H B 0075 LEU O
H B 0077 ARG N 3.196 H B 0075 LEU O
H B 0077 ARG N 2.201 H B 0076 ILE O
H B 0078 VAL N 3.163 H B 0074 ASN O
H B 0078 VAL N 2.207 H B 0077 ARG O
H B 0079 MET N 2.701 H B 0075 LEU O
H B 0079 MET N 2.208 H B 0078 VAL O
H B 0080 ALA N 2.829 H B 0076 ILE O
H B 0080 ALA N 2.943 H B 0077 ARG O
H B 0080 ALA N 2.205 H B 0079 MET O
H B 0081 GLU N 2.638 H B 0077 ARG O
H B 0081 GLU N 3.055 H B 0078 VAL O
H B 0081 GLU N 2.209 H B 0080 ALA O
H B 0082 ASN N 3.120 H B 0078 VAL O
H B 0082 ASN N 2.952 H B 0080 ALA O
H B 0082 ASN N 2.201 H B 0081 GLU O
C B 0083 GLY N 2.727 H B 0080 ALA O
C B 0083 GLY N 2.201 H B 0082 ASN O
C B 0084 ARG N 2.205 C B 0083 GLY O
C B 0085 LEU N 2.202 C B 0084 ARG O
C B 0086 ASN N 3.045 C B 0084 ARG O
C B 0086 ASN N 2.196 C B 0085 LEU O
H B 0087 ALA N 2.973 C B 0084 ARG O
H B 0087 ALA N 3.098 C B 0085 LEU O
H B 0087 ALA N 2.204 C B 0086 ASN O
H B 0088 LEU N 3.012 C B 0086 ASN O
H B 0088 LEU N 2.199 H B 0087 ALA O
H B 0089 PRO N 2.234 H B 0088 LEU O
H B 0090 ASP N 2.212 H B 0089 PRO O
H B 0091 VAL N 3.191 H B 0088 LEU O
H B 0091 VAL N 2.928 H B 0089 PRO O
H B 0091 VAL N 2.213 H B 0090 ASP O
H B 0092 LEU N 2.953 H B 0088 LEU O
H B 0092 LEU N 2.954 H B 0089 PRO O
H B 0092 LEU N 2.208 H B 0091 VAL O
H B 0093 GLU N 3.073 H B 0089 PRO O
H B 0093 GLU N 2.210 H B 0092 LEU O
H B 0094 GLN N 3.007 H B 0091 VAL O
H B 0094 GLN N 3.103 H B 0092 LEU O
H B 0094 GLN N 2.207 H B 0093 GLU O
H B 0095 PHE N 2.707 H B 0091 VAL O
H B 0095 PHE N 2.957 H B 0092 LEU O
H B 0095 PHE N 2.209 H B 0094 GLN O
H B 0096 ILE N 2.871 H B 0092 LEU O
H B 0096 ILE N 2.205 H B 0095 PHE O
H B 0097 HIS N 3.180 H B 0094 GLN O
H B 0097 HIS N 3.101 H B 0095 PHE O
H B 0097 HIS N 2.209 H B 0096 ILE O
H B 0098 LEU N 3.144 H B 0094 GLN O
H B 0098 LEU N 2.861 H B 0095 PHE O
H B 0098 LEU N 2.204 H B 0097 HIS O
H B 0099 ARG N 3.058 H B 0095 PHE O
H B 0099 ARG N 2.210 H B 0098 LEU O
H B 0100 ALA N 3.060 H B 0097 HIS O
H B 0100 ALA N 2.204 H B 0099 ARG O
H B 0101 VAL N 2.882 H B 0097 HIS O
H B 0101 VAL N 3.153 H B 0098 LEU O
H B 0101 VAL N 3.099 H B 0099 ARG O
H B 0101 VAL N 2.199 H B 0100 ALA O
H B 0102 SER N 2.825 H B 0098 LEU O
H B 0102 SER N 2.867 H B 0099 ARG O
H B 0102 SER N 2.201 H B 0101 VAL O
H B 0103 GLU N 2.544 H B 0099 ARG O
H B 0103 GLU N 2.200 H B 0102 SER O
C B 0104 ALA N 3.117 H B 0102 SER O
C B 0104 ALA N 2.194 H B 0103 GLU O
C B 0105 THR N 2.204 C B 0104 ALA O
HB_MS 2.00 3.20 8
H B 0034 ALA O 2.783 H B 0038 THR OG1
H B 0035 ALA O 2.750 H B 0038 THR OG1
H B 0041 GLU N 3.078 H B 0040 ASN OD1
H B 0052 ALA O 2.919 H B 0055 THR OG1
H B 0070 GLU O 2.871 H B 0074 ASN ND2
H B 0078 VAL O 3.010 H B 0082 ASN ND2
H B 0087 ALA N 3.071 C B 0086 ASN OD1
H B 0090 ASP O 3.004 H B 0094 GLN NE2
HB_SS 2.00 3.20 3
H B 0008 ARG NH2 2.885 H B 0094 GLN OE1
H B 0025 GLU OE2 2.702 C B 0022 GLN NE2
H B 0099 ARG NH1 2.597 H B 0028 GLN OE1
AROMATIC 0.00 8.00 1
H B 0017 PHE 5.861 H B 0021 HIS