![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
![]() |
653809 |
6lvt ![]() ![]() |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 11.695 10.952 13.000 2 H2 MET 1 HT2 MET 1 12.242 9.344 13.023 3 H3 MET 1 HT3 MET 1 10.667 9.701 12.494 4 HA MET 1 HA MET 1 11.859 11.149 10.735 5 HB2 MET 1 HB2 MET 1 13.986 9.205 11.669 6 HB3 MET 1 HB3 MET 1 14.039 10.016 10.103 7 HG2 MET 1 HG2 MET 1 13.855 12.215 11.328 8 HG3 MET 1 HG3 MET 1 14.045 11.322 12.836 9 HE1 MET 1 HE1 MET 1 16.056 10.231 13.686 10 HE2 MET 1 HE2 MET 1 17.516 9.856 12.773 11 HE3 MET 1 HE3 MET 1 15.996 9.073 12.349 12 H ALA 2 H ALA 2 11.797 10.225 8.614 13 HA ALA 2 HA ALA 2 9.938 8.115 8.306 14 HB1 ALA 2 HB1 ALA 2 10.305 9.951 6.652 15 HB2 ALA 2 HB2 ALA 2 10.344 8.344 5.926 16 HB3 ALA 2 HB3 ALA 2 11.849 9.212 6.230 17 H SER 3 H SER 3 10.182 5.991 7.674 18 HA SER 3 HA SER 3 12.736 4.858 7.035 19 HB2 SER 3 HB2 SER 3 12.916 3.343 8.931 20 HB3 SER 3 HB3 SER 3 12.904 5.004 9.516 21 HG SER 3 HG SER 3 11.160 4.536 10.572 22 H ARG 4 H ARG 4 12.500 2.796 6.061 23 HA ARG 4 HA ARG 4 10.043 2.188 4.900 24 HB2 ARG 4 HB2 ARG 4 12.245 1.416 4.055 25 HB3 ARG 4 HB3 ARG 4 12.374 0.321 5.428 26 HG2 ARG 4 HG2 ARG 4 10.422 -0.922 4.696 27 HG3 ARG 4 HG3 ARG 4 10.113 0.243 3.409 28 HD2 ARG 4 HD2 ARG 4 12.230 -0.345 2.331 29 HD3 ARG 4 HD3 ARG 4 12.612 -1.456 3.643 30 HE ARG 4 HE ARG 4 11.133 -2.996 2.721 31 HH11 ARG 4 HH11 ARG 4 10.644 0.126 1.199 32 HH12 ARG 4 HH12 ARG 4 9.599 -0.511 -0.026 33 HH21 ARG 4 HH21 ARG 4 9.771 -3.773 1.118 34 HH22 ARG 4 HH22 ARG 4 9.108 -2.702 -0.070 35 H GLU 5 H GLU 5 11.567 0.949 7.838 36 HA GLU 5 HA GLU 5 9.782 -1.123 8.450 37 HB2 GLU 5 HB2 GLU 5 10.485 -0.783 10.814 38 HB3 GLU 5 HB3 GLU 5 11.852 -0.852 9.706 39 HG2 GLU 5 HG2 GLU 5 11.811 1.686 9.660 40 HG3 GLU 5 HG3 GLU 5 10.625 1.627 10.958 41 H GLU 6 H GLU 6 9.653 2.329 9.201 42 HA GLU 6 HA GLU 6 7.354 2.250 10.789 43 HB2 GLU 6 HB2 GLU 6 8.671 4.421 9.172 44 HB3 GLU 6 HB3 GLU 6 7.145 4.721 10.000 45 HG2 GLU 6 HG2 GLU 6 9.547 3.568 11.426 46 HG3 GLU 6 HG3 GLU 6 9.274 5.305 11.299 47 H ILE 7 H ILE 7 7.758 2.572 7.284 48 HA ILE 7 HA ILE 7 5.024 3.159 6.729 49 HB ILE 7 HB ILE 7 6.977 1.758 4.883 50 HG12 ILE 7 HG12 ILE 7 8.074 3.812 5.643 51 HG13 ILE 7 HG13 ILE 7 7.516 4.029 3.991 52 HG21 ILE 7 HG21 ILE 7 5.610 2.804 3.113 53 HG22 ILE 7 HG22 ILE 7 4.555 3.496 4.345 54 HG23 ILE 7 HG23 ILE 7 4.641 1.746 4.140 55 HD11 ILE 7 HD11 ILE 7 6.740 6.000 4.823 56 HD12 ILE 7 HD12 ILE 7 6.623 5.389 6.474 57 HD13 ILE 7 HD13 ILE 7 5.364 5.004 5.302 58 H PHE 8 H PHE 8 6.853 0.138 6.190 59 HA PHE 8 HA PHE 8 4.723 -1.501 5.626 60 HB2 PHE 8 HB2 PHE 8 7.087 -2.120 5.317 61 HB3 PHE 8 HB3 PHE 8 7.281 -2.252 7.062 62 HD1 PHE 8 HD1 PHE 8 5.459 -3.661 4.131 63 HD2 PHE 8 HD2 PHE 8 6.618 -4.229 8.229 64 HE1 PHE 8 HE1 PHE 8 4.651 -6.004 4.036 65 HE2 PHE 8 HE2 PHE 8 5.810 -6.572 8.133 66 HZ PHE 8 HZ PHE 8 4.826 -7.459 6.036 67 H SER 9 H SER 9 6.136 -0.916 8.896 68 HA SER 9 HA SER 9 4.488 -2.735 10.267 69 HB2 SER 9 HB2 SER 9 5.798 -0.181 11.209 70 HB3 SER 9 HB3 SER 9 5.027 -1.348 12.279 71 HG SER 9 HG SER 9 6.582 -2.776 11.865 72 H LYS 10 H LYS 10 4.036 0.750 9.683 73 HA LYS 10 HA LYS 10 1.569 0.957 11.081 74 HB2 LYS 10 HB2 LYS 10 2.852 2.681 8.955 75 HB3 LYS 10 HB3 LYS 10 1.364 3.114 9.803 76 HG2 LYS 10 HG2 LYS 10 2.523 2.989 11.959 77 HG3 LYS 10 HG3 LYS 10 4.005 2.480 11.155 78 HD2 LYS 10 HD2 LYS 10 4.075 4.629 9.932 79 HD3 LYS 10 HD3 LYS 10 2.603 5.140 10.762 80 HE2 LYS 10 HE2 LYS 10 3.736 4.945 12.934 81 HE3 LYS 10 HE3 LYS 10 5.203 4.389 12.132 82 HZ1 LYS 10 HZ1 LYS 10 5.712 6.560 12.206 83 HZ2 LYS 10 HZ2 LYS 10 4.092 7.064 12.327 84 HZ3 LYS 10 HZ3 LYS 10 4.747 6.653 10.813 85 H VAL 11 H VAL 11 2.383 0.354 7.715 86 HA VAL 11 HA VAL 11 -0.211 0.517 6.625 87 HB VAL 11 HB VAL 11 2.278 -0.974 5.744 88 HG11 VAL 11 HG11 VAL 11 0.471 -2.191 4.713 89 HG12 VAL 11 HG12 VAL 11 1.091 -1.085 3.488 90 HG13 VAL 11 HG13 VAL 11 -0.402 -0.704 4.345 91 HG21 VAL 11 HG21 VAL 11 2.055 1.628 5.780 92 HG22 VAL 11 HG22 VAL 11 0.965 1.402 4.416 93 HG23 VAL 11 HG23 VAL 11 2.639 0.858 4.306 94 H LYS 12 H LYS 12 1.647 -2.187 7.979 95 HA LYS 12 HA LYS 12 -0.308 -4.188 7.555 96 HB2 LYS 12 HB2 LYS 12 2.076 -4.663 8.185 97 HB3 LYS 12 HB3 LYS 12 1.703 -4.091 9.812 98 HG2 LYS 12 HG2 LYS 12 -0.332 -5.903 9.446 99 HG3 LYS 12 HG3 LYS 12 0.929 -6.634 8.460 100 HD2 LYS 12 HD2 LYS 12 2.427 -6.776 10.335 101 HD3 LYS 12 HD3 LYS 12 1.384 -5.758 11.320 102 HE2 LYS 12 HE2 LYS 12 -0.015 -7.476 11.858 103 HE3 LYS 12 HE3 LYS 12 0.053 -8.200 10.248 104 HZ1 LYS 12 HZ1 LYS 12 1.138 -9.670 11.742 105 HZ2 LYS 12 HZ2 LYS 12 2.064 -8.421 12.432 106 HZ3 LYS 12 HZ3 LYS 12 2.362 -8.922 10.840 107 H SER 13 H SER 13 0.219 -1.866 10.194 108 HA SER 13 HA SER 13 -1.511 -2.975 12.074 109 HB2 SER 13 HB2 SER 13 -0.818 -0.083 11.539 110 HB3 SER 13 HB3 SER 13 -1.690 -0.641 12.964 111 HG SER 13 HG SER 13 0.976 -0.889 12.278 112 H ILE 14 H ILE 14 -2.269 -0.743 9.384 113 HA ILE 14 HA ILE 14 -5.014 -0.435 10.165 114 HB ILE 14 HB ILE 14 -3.730 0.063 7.463 115 HG12 ILE 14 HG12 ILE 14 -2.553 1.375 9.164 116 HG13 ILE 14 HG13 ILE 14 -3.566 2.445 8.203 117 HG21 ILE 14 HG21 ILE 14 -6.300 -0.052 7.666 118 HG22 ILE 14 HG22 ILE 14 -5.609 1.381 6.910 119 HG23 ILE 14 HG23 ILE 14 -6.168 1.448 8.579 120 HD11 ILE 14 HD11 ILE 14 -3.852 1.623 11.075 121 HD12 ILE 14 HD12 ILE 14 -5.320 1.967 10.164 122 HD13 ILE 14 HD13 ILE 14 -4.079 3.207 10.337 123 H ILE 15 H ILE 15 -3.401 -2.293 7.574 124 HA ILE 15 HA ILE 15 -5.717 -3.499 6.540 125 HB ILE 15 HB ILE 15 -2.803 -4.340 6.465 126 HG12 ILE 15 HG12 ILE 15 -4.515 -3.086 4.300 127 HG13 ILE 15 HG13 ILE 15 -3.585 -2.117 5.440 128 HG21 ILE 15 HG21 ILE 15 -4.307 -6.284 5.998 129 HG22 ILE 15 HG22 ILE 15 -3.414 -5.782 4.564 130 HG23 ILE 15 HG23 ILE 15 -5.110 -5.335 4.747 131 HD11 ILE 15 HD11 ILE 15 -2.291 -4.312 3.814 132 HD12 ILE 15 HD12 ILE 15 -1.515 -2.963 4.644 133 HD13 ILE 15 HD13 ILE 15 -2.462 -2.674 3.184 134 H SER 16 H SER 16 -3.378 -4.710 8.909 135 HA SER 16 HA SER 16 -4.492 -7.254 9.278 136 HB2 SER 16 HB2 SER 16 -2.205 -6.756 9.913 137 HB3 SER 16 HB3 SER 16 -2.760 -5.595 11.114 138 HG SER 16 HG SER 16 -3.611 -8.295 11.136 139 H GLU 17 H GLU 17 -5.033 -4.226 11.048 140 HA GLU 17 HA GLU 17 -6.625 -5.477 13.077 141 HB2 GLU 17 HB2 GLU 17 -7.014 -3.275 13.936 142 HB3 GLU 17 HB3 GLU 17 -5.343 -3.342 13.385 143 HG2 GLU 17 HG2 GLU 17 -6.096 -2.285 11.222 144 HG3 GLU 17 HG3 GLU 17 -7.686 -2.080 11.935 145 H LYS 18 H LYS 18 -7.348 -3.966 9.989 146 HA LYS 18 HA LYS 18 -10.210 -3.967 10.504 147 HB2 LYS 18 HB2 LYS 18 -8.572 -3.178 8.096 148 HB3 LYS 18 HB3 LYS 18 -10.334 -3.111 8.141 149 HG2 LYS 18 HG2 LYS 18 -10.228 -1.607 10.096 150 HG3 LYS 18 HG3 LYS 18 -8.467 -1.665 10.042 151 HD2 LYS 18 HD2 LYS 18 -8.472 -0.666 7.806 152 HD3 LYS 18 HD3 LYS 18 -10.235 -0.661 7.794 153 HE2 LYS 18 HE2 LYS 18 -9.403 1.562 8.406 154 HE3 LYS 18 HE3 LYS 18 -10.226 0.830 9.782 155 HZ1 LYS 18 HZ1 LYS 18 -8.320 0.640 10.938 156 HZ2 LYS 18 HZ2 LYS 18 -7.802 1.902 9.927 157 HZ3 LYS 18 HZ3 LYS 18 -7.376 0.297 9.571 158 H LEU 19 H LEU 19 -7.893 -6.084 9.019 159 HA LEU 19 HA LEU 19 -10.078 -7.646 7.776 160 HB2 LEU 19 HB2 LEU 19 -7.100 -7.786 7.251 161 HB3 LEU 19 HB3 LEU 19 -8.335 -8.732 6.430 162 HG LEU 19 HG LEU 19 -8.180 -5.699 6.395 163 HD11 LEU 19 HD11 LEU 19 -7.254 -5.876 4.201 164 HD12 LEU 19 HD12 LEU 19 -7.575 -7.609 4.125 165 HD13 LEU 19 HD13 LEU 19 -6.322 -6.991 5.199 166 HD21 LEU 19 HD21 LEU 19 -9.943 -7.712 4.954 167 HD22 LEU 19 HD22 LEU 19 -9.787 -6.033 4.439 168 HD23 LEU 19 HD23 LEU 19 -10.461 -6.409 6.024 169 H GLY 20 H GLY 20 -7.764 -7.681 10.342 170 HA2 GLY 20 HA2 GLY 20 -7.371 -9.234 12.013 171 HA3 GLY 20 HA3 GLY 20 -8.743 -10.157 11.397 172 H VAL 21 H VAL 21 -5.766 -9.129 9.773 173 HA VAL 21 HA VAL 21 -5.049 -11.984 9.339 174 HB VAL 21 HB VAL 21 -4.713 -9.768 7.302 175 HG11 VAL 21 HG11 VAL 21 -3.070 -11.450 6.948 176 HG12 VAL 21 HG12 VAL 21 -4.359 -11.828 5.806 177 HG13 VAL 21 HG13 VAL 21 -4.206 -12.750 7.299 178 HG21 VAL 21 HG21 VAL 21 -6.822 -11.942 7.564 179 HG22 VAL 21 HG22 VAL 21 -6.506 -11.095 6.049 180 HG23 VAL 21 HG23 VAL 21 -7.084 -10.201 7.455 181 H ASP 22 H ASP 22 -2.873 -12.506 9.355 182 HA ASP 22 HA ASP 22 -1.121 -10.521 10.571 183 HB2 ASP 22 HB2 ASP 22 -1.388 -13.051 11.235 184 HB3 ASP 22 HB3 ASP 22 -0.240 -13.301 9.920 185 H GLU 23 H GLU 23 0.799 -9.890 9.767 186 HA GLU 23 HA GLU 23 1.033 -9.094 7.198 187 HB2 GLU 23 HB2 GLU 23 3.389 -8.694 7.551 188 HB3 GLU 23 HB3 GLU 23 2.498 -8.331 9.020 189 HG2 GLU 23 HG2 GLU 23 3.045 -10.775 9.701 190 HG3 GLU 23 HG3 GLU 23 4.253 -10.691 8.420 191 H SER 24 H SER 24 1.499 -12.419 8.156 192 HA SER 24 HA SER 24 3.327 -13.306 6.236 193 HB2 SER 24 HB2 SER 24 2.226 -15.495 6.446 194 HB3 SER 24 HB3 SER 24 2.415 -14.747 8.029 195 HG SER 24 HG SER 24 0.336 -14.940 8.189 196 H GLN 25 H GLN 25 -0.133 -12.619 6.012 197 HA GLN 25 HA GLN 25 -0.434 -13.432 3.257 198 HB2 GLN 25 HB2 GLN 25 -2.101 -11.763 5.140 199 HB3 GLN 25 HB3 GLN 25 -2.551 -12.016 3.456 200 HG2 GLN 25 HG2 GLN 25 -1.960 -14.295 5.347 201 HG3 GLN 25 HG3 GLN 25 -3.583 -13.649 5.112 202 HE21 GLN 25 HE21 GLN 25 -3.888 -13.266 2.449 203 HE22 GLN 25 HE22 GLN 25 -3.572 -14.691 1.573 204 H VAL 26 H VAL 26 0.683 -10.621 4.920 205 HA VAL 26 HA VAL 26 0.381 -8.781 2.723 206 HB VAL 26 HB VAL 26 1.828 -8.513 5.370 207 HG11 VAL 26 HG11 VAL 26 0.924 -6.261 3.571 208 HG12 VAL 26 HG12 VAL 26 2.545 -6.945 3.466 209 HG13 VAL 26 HG13 VAL 26 2.005 -6.182 4.960 210 HG21 VAL 26 HG21 VAL 26 -0.906 -7.546 4.473 211 HG22 VAL 26 HG22 VAL 26 -0.157 -7.179 6.027 212 HG23 VAL 26 HG23 VAL 26 -0.598 -8.840 5.631 213 H THR 27 H THR 27 1.774 -8.585 1.084 214 HA THR 27 HA THR 27 4.635 -9.077 1.522 215 HB THR 27 HB THR 27 3.337 -10.309 -0.902 216 HG1 THR 27 HG1 THR 27 3.452 -12.275 0.262 217 HG21 THR 27 HG21 THR 27 5.391 -11.633 -0.934 218 HG22 THR 27 HG22 THR 27 5.911 -10.893 0.580 219 HG23 THR 27 HG23 THR 27 5.788 -9.917 -0.881 220 H GLU 28 H GLU 28 5.960 -8.069 -0.015 221 HA GLU 28 HA GLU 28 5.029 -5.622 -1.051 222 HB2 GLU 28 HB2 GLU 28 7.483 -7.272 -1.679 223 HB3 GLU 28 HB3 GLU 28 7.201 -5.666 -2.351 224 HG2 GLU 28 HG2 GLU 28 7.066 -4.723 -0.087 225 HG3 GLU 28 HG3 GLU 28 7.300 -6.326 0.606 226 H GLU 29 H GLU 29 5.081 -8.873 -2.343 227 HA GLU 29 HA GLU 29 4.291 -7.892 -5.012 228 HB2 GLU 29 HB2 GLU 29 4.814 -10.164 -5.809 229 HB3 GLU 29 HB3 GLU 29 6.196 -9.413 -5.016 230 HG2 GLU 29 HG2 GLU 29 5.670 -10.646 -2.936 231 HG3 GLU 29 HG3 GLU 29 4.295 -11.403 -3.733 232 H ALA 30 H ALA 30 2.826 -8.984 -2.206 233 HA ALA 30 HA ALA 30 0.748 -10.577 -3.464 234 HB1 ALA 30 HB1 ALA 30 1.123 -11.312 -1.287 235 HB2 ALA 30 HB2 ALA 30 -0.272 -10.254 -1.070 236 HB3 ALA 30 HB3 ALA 30 1.344 -9.677 -0.665 237 H LYS 31 H LYS 31 -1.307 -9.916 -3.934 238 HA LYS 31 HA LYS 31 -1.724 -7.033 -4.066 239 HB2 LYS 31 HB2 LYS 31 -3.099 -9.409 -5.274 240 HB3 LYS 31 HB3 LYS 31 -3.910 -7.850 -5.209 241 HG2 LYS 31 HG2 LYS 31 -2.867 -7.438 -7.180 242 HG3 LYS 31 HG3 LYS 31 -1.458 -7.094 -6.196 243 HD2 LYS 31 HD2 LYS 31 -0.443 -9.142 -6.664 244 HD3 LYS 31 HD3 LYS 31 -1.972 -9.948 -7.007 245 HE2 LYS 31 HE2 LYS 31 -0.903 -7.742 -8.776 246 HE3 LYS 31 HE3 LYS 31 -0.466 -9.432 -9.024 247 HZ1 LYS 31 HZ1 LYS 31 -3.303 -8.936 -8.679 248 HZ2 LYS 31 HZ2 LYS 31 -2.496 -9.935 -9.792 249 HZ3 LYS 31 HZ3 LYS 31 -2.628 -8.268 -10.087 250 H LEU 32 H LEU 32 -3.059 -5.918 -2.817 251 HA LEU 32 HA LEU 32 -3.992 -6.984 -0.381 252 HB2 LEU 32 HB2 LEU 32 -4.623 -4.447 -1.875 253 HB3 LEU 32 HB3 LEU 32 -5.321 -4.802 -0.295 254 HG LEU 32 HG LEU 32 -2.330 -4.892 -0.802 255 HD11 LEU 32 HD11 LEU 32 -4.113 -2.575 0.005 256 HD12 LEU 32 HD12 LEU 32 -2.924 -2.625 -1.297 257 HD13 LEU 32 HD13 LEU 32 -2.392 -2.613 0.383 258 HD21 LEU 32 HD21 LEU 32 -2.972 -6.031 1.210 259 HD22 LEU 32 HD22 LEU 32 -4.114 -4.764 1.648 260 HD23 LEU 32 HD23 LEU 32 -2.380 -4.452 1.718 261 H ILE 33 H ILE 33 -5.631 -6.543 -3.494 262 HA ILE 33 HA ILE 33 -8.197 -7.279 -2.381 263 HB ILE 33 HB ILE 33 -8.013 -5.621 -4.197 264 HG12 ILE 33 HG12 ILE 33 -9.501 -8.054 -5.210 265 HG13 ILE 33 HG13 ILE 33 -10.055 -7.137 -3.809 266 HG21 ILE 33 HG21 ILE 33 -6.116 -6.809 -5.377 267 HG22 ILE 33 HG22 ILE 33 -7.414 -6.269 -6.442 268 HG23 ILE 33 HG23 ILE 33 -7.301 -7.967 -5.981 269 HD11 ILE 33 HD11 ILE 33 -10.203 -5.101 -5.156 270 HD12 ILE 33 HD12 ILE 33 -11.136 -6.383 -5.927 271 HD13 ILE 33 HD13 ILE 33 -9.547 -5.950 -6.555 272 H ASP 34 H ASP 34 -5.801 -8.881 -4.491 273 HA ASP 34 HA ASP 34 -7.457 -11.265 -4.662 274 HB2 ASP 34 HB2 ASP 34 -4.636 -10.757 -5.615 275 HB3 ASP 34 HB3 ASP 34 -5.619 -12.161 -6.022 276 H ASP 35 H ASP 35 -4.205 -10.560 -3.401 277 HA ASP 35 HA ASP 35 -3.825 -13.085 -2.186 278 HB2 ASP 35 HB2 ASP 35 -2.082 -11.317 -2.864 279 HB3 ASP 35 HB3 ASP 35 -2.432 -10.584 -1.300 280 H LEU 36 H LEU 36 -5.376 -10.149 -0.997 281 HA LEU 36 HA LEU 36 -5.587 -11.439 1.660 282 HB2 LEU 36 HB2 LEU 36 -5.112 -8.615 0.855 283 HB3 LEU 36 HB3 LEU 36 -6.066 -8.898 2.303 284 HG LEU 36 HG LEU 36 -3.404 -10.281 1.880 285 HD11 LEU 36 HD11 LEU 36 -2.742 -8.016 1.736 286 HD12 LEU 36 HD12 LEU 36 -2.534 -8.408 3.441 287 HD13 LEU 36 HD13 LEU 36 -3.947 -7.492 2.912 288 HD21 LEU 36 HD21 LEU 36 -5.125 -9.575 4.276 289 HD22 LEU 36 HD22 LEU 36 -3.500 -10.249 4.405 290 HD23 LEU 36 HD23 LEU 36 -4.785 -11.188 3.647 291 H GLY 37 H GLY 37 -7.397 -10.107 -1.022 292 HA2 GLY 37 HA2 GLY 37 -9.685 -10.536 -1.391 293 HA3 GLY 37 HA3 GLY 37 -9.843 -11.011 0.287 294 H ALA 38 H ALA 38 -8.320 -7.947 -0.473 295 HA ALA 38 HA ALA 38 -10.618 -6.570 0.763 296 HB1 ALA 38 HB1 ALA 38 -7.717 -5.898 0.400 297 HB2 ALA 38 HB2 ALA 38 -8.697 -5.854 1.865 298 HB3 ALA 38 HB3 ALA 38 -8.888 -4.601 0.639 299 H ASP 39 H ASP 39 -12.115 -6.115 -0.753 300 HA ASP 39 HA ASP 39 -11.526 -5.598 -3.476 301 HB2 ASP 39 HB2 ASP 39 -13.886 -5.123 -3.720 302 HB3 ASP 39 HB3 ASP 39 -13.677 -6.509 -2.662 303 H SER 40 H SER 40 -12.606 -3.560 -4.522 304 HA SER 40 HA SER 40 -10.949 -1.410 -4.188 305 HB2 SER 40 HB2 SER 40 -12.608 -0.070 -5.409 306 HB3 SER 40 HB3 SER 40 -12.413 -1.669 -6.123 307 HG SER 40 HG SER 40 -14.640 -0.646 -5.479 308 H LEU 41 H LEU 41 -14.093 -1.872 -2.555 309 HA LEU 41 HA LEU 41 -14.166 0.674 -1.302 310 HB2 LEU 41 HB2 LEU 41 -16.135 -0.825 -1.413 311 HB3 LEU 41 HB3 LEU 41 -15.325 -1.970 -0.350 312 HG LEU 41 HG LEU 41 -15.230 -0.183 1.414 313 HD11 LEU 41 HD11 LEU 41 -15.369 1.837 0.118 314 HD12 LEU 41 HD12 LEU 41 -16.849 1.750 1.073 315 HD13 LEU 41 HD13 LEU 41 -16.878 1.321 -0.637 316 HD21 LEU 41 HD21 LEU 41 -17.008 -1.839 1.488 317 HD22 LEU 41 HD22 LEU 41 -17.954 -0.928 0.311 318 HD23 LEU 41 HD23 LEU 41 -17.683 -0.269 1.925 319 H ASP 42 H ASP 42 -12.979 -2.471 -0.239 320 HA ASP 42 HA ASP 42 -12.018 -1.746 2.301 321 HB2 ASP 42 HB2 ASP 42 -11.076 -3.874 0.363 322 HB3 ASP 42 HB3 ASP 42 -10.466 -3.725 2.003 323 H LEU 43 H LEU 43 -10.454 -1.729 -0.877 324 HA LEU 43 HA LEU 43 -7.866 -1.022 -0.073 325 HB2 LEU 43 HB2 LEU 43 -9.360 -0.558 -2.662 326 HB3 LEU 43 HB3 LEU 43 -7.643 -0.220 -2.454 327 HG LEU 43 HG LEU 43 -8.871 -2.933 -1.890 328 HD11 LEU 43 HD11 LEU 43 -7.752 -3.537 -4.108 329 HD12 LEU 43 HD12 LEU 43 -7.635 -1.803 -4.412 330 HD13 LEU 43 HD13 LEU 43 -9.215 -2.562 -4.230 331 HD21 LEU 43 HD21 LEU 43 -6.739 -2.639 -0.791 332 HD22 LEU 43 HD22 LEU 43 -6.034 -1.913 -2.236 333 HD23 LEU 43 HD23 LEU 43 -6.458 -3.624 -2.225 334 H VAL 44 H VAL 44 -10.656 0.999 -0.987 335 HA VAL 44 HA VAL 44 -9.289 3.463 -0.991 336 HB VAL 44 HB VAL 44 -12.205 2.785 -0.520 337 HG11 VAL 44 HG11 VAL 44 -11.873 4.966 0.480 338 HG12 VAL 44 HG12 VAL 44 -12.616 5.214 -1.100 339 HG13 VAL 44 HG13 VAL 44 -10.889 5.496 -0.885 340 HG21 VAL 44 HG21 VAL 44 -11.028 2.327 -2.764 341 HG22 VAL 44 HG22 VAL 44 -10.914 4.077 -2.931 342 HG23 VAL 44 HG23 VAL 44 -12.495 3.302 -2.822 343 H ASP 45 H ASP 45 -11.074 1.798 1.593 344 HA ASP 45 HA ASP 45 -10.730 3.795 3.567 345 HB2 ASP 45 HB2 ASP 45 -12.367 1.928 3.716 346 HB3 ASP 45 HB3 ASP 45 -11.030 0.808 3.969 347 H LEU 46 H LEU 46 -8.783 0.930 2.732 348 HA LEU 46 HA LEU 46 -6.947 1.139 4.881 349 HB2 LEU 46 HB2 LEU 46 -6.674 -0.077 2.123 350 HB3 LEU 46 HB3 LEU 46 -5.449 -0.231 3.381 351 HG LEU 46 HG LEU 46 -8.338 -1.045 3.793 352 HD11 LEU 46 HD11 LEU 46 -7.396 -3.395 3.530 353 HD12 LEU 46 HD12 LEU 46 -5.956 -2.648 2.836 354 HD13 LEU 46 HD13 LEU 46 -7.518 -2.460 2.039 355 HD21 LEU 46 HD21 LEU 46 -5.752 -1.552 5.293 356 HD22 LEU 46 HD22 LEU 46 -7.247 -2.432 5.614 357 HD23 LEU 46 HD23 LEU 46 -7.176 -0.691 5.876 358 H VAL 47 H VAL 47 -6.628 2.238 1.473 359 HA VAL 47 HA VAL 47 -4.150 3.512 1.896 360 HB VAL 47 HB VAL 47 -4.960 2.926 -0.362 361 HG11 VAL 47 HG11 VAL 47 -6.703 4.133 -1.455 362 HG12 VAL 47 HG12 VAL 47 -6.764 5.353 -0.183 363 HG13 VAL 47 HG13 VAL 47 -7.350 3.724 0.130 364 HG21 VAL 47 HG21 VAL 47 -4.237 5.017 -1.476 365 HG22 VAL 47 HG22 VAL 47 -3.197 4.617 -0.109 366 HG23 VAL 47 HG23 VAL 47 -4.413 5.883 0.050 367 H MET 48 H MET 48 -7.497 4.670 2.179 368 HA MET 48 HA MET 48 -6.997 7.388 2.578 369 HB2 MET 48 HB2 MET 48 -9.242 6.412 2.228 370 HB3 MET 48 HB3 MET 48 -9.148 5.630 3.802 371 HG2 MET 48 HG2 MET 48 -9.111 7.758 4.933 372 HG3 MET 48 HG3 MET 48 -8.964 8.630 3.405 373 HE1 MET 48 HE1 MET 48 -12.393 9.791 4.285 374 HE2 MET 48 HE2 MET 48 -10.652 10.039 4.383 375 HE3 MET 48 HE3 MET 48 -11.486 9.179 5.675 376 H ASP 49 H ASP 49 -7.173 4.702 4.923 377 HA ASP 49 HA ASP 49 -6.756 6.127 7.272 378 HB2 ASP 49 HB2 ASP 49 -7.149 3.587 6.960 379 HB3 ASP 49 HB3 ASP 49 -5.392 3.473 6.829 380 H PHE 50 H PHE 50 -4.415 5.073 4.848 381 HA PHE 50 HA PHE 50 -2.088 6.008 6.308 382 HB2 PHE 50 HB2 PHE 50 -2.242 5.578 3.317 383 HB3 PHE 50 HB3 PHE 50 -0.815 5.527 4.338 384 HD1 PHE 50 HD1 PHE 50 -1.972 3.439 2.322 385 HD2 PHE 50 HD2 PHE 50 -2.141 3.763 6.606 386 HE1 PHE 50 HE1 PHE 50 -2.265 0.992 2.495 387 HE2 PHE 50 HE2 PHE 50 -2.435 1.310 6.770 388 HZ PHE 50 HZ PHE 50 -2.506 -0.069 4.712 389 H GLU 51 H GLU 51 -4.367 7.337 4.018 390 HA GLU 51 HA GLU 51 -2.978 9.571 3.046 391 HB2 GLU 51 HB2 GLU 51 -5.199 8.673 2.226 392 HB3 GLU 51 HB3 GLU 51 -5.947 9.438 3.623 393 HG2 GLU 51 HG2 GLU 51 -5.033 11.628 2.888 394 HG3 GLU 51 HG3 GLU 51 -4.384 10.844 1.450 395 H SER 52 H SER 52 -4.975 9.156 5.952 396 HA SER 52 HA SER 52 -4.505 11.907 6.805 397 HB2 SER 52 HB2 SER 52 -6.016 9.624 8.091 398 HB3 SER 52 HB3 SER 52 -5.909 11.252 8.756 399 HG SER 52 HG SER 52 -7.790 10.896 7.452 400 H GLU 53 H GLU 53 -3.563 8.633 7.687 401 HA GLU 53 HA GLU 53 -2.268 9.155 10.117 402 HB2 GLU 53 HB2 GLU 53 -2.745 6.874 9.270 403 HB3 GLU 53 HB3 GLU 53 -1.510 7.083 8.032 404 HG2 GLU 53 HG2 GLU 53 -0.573 5.830 9.909 405 HG3 GLU 53 HG3 GLU 53 0.195 7.409 9.815 406 H PHE 54 H PHE 54 -0.887 9.090 6.804 407 HA PHE 54 HA PHE 54 1.641 10.139 7.786 408 HB2 PHE 54 HB2 PHE 54 0.660 9.366 5.037 409 HB3 PHE 54 HB3 PHE 54 2.263 10.035 5.333 410 HD1 PHE 54 HD1 PHE 54 0.069 7.127 5.742 411 HD2 PHE 54 HD2 PHE 54 3.911 8.792 6.703 412 HE1 PHE 54 HE1 PHE 54 0.872 4.882 6.428 413 HE2 PHE 54 HE2 PHE 54 4.713 6.548 7.386 414 HZ PHE 54 HZ PHE 54 3.194 4.593 7.248 415 H GLY 55 H GLY 55 -1.241 11.638 7.127 416 HA2 GLY 55 HA2 GLY 55 -1.825 13.830 6.716 417 HA3 GLY 55 HA3 GLY 55 -0.163 14.238 7.135 418 H VAL 56 H VAL 56 -1.206 12.147 4.492 419 HA VAL 56 HA VAL 56 -0.325 14.183 2.536 420 HB VAL 56 HB VAL 56 0.755 12.381 1.211 421 HG11 VAL 56 HG11 VAL 56 2.669 11.994 2.863 422 HG12 VAL 56 HG12 VAL 56 1.694 12.879 4.035 423 HG13 VAL 56 HG13 VAL 56 2.228 13.673 2.556 424 HG21 VAL 56 HG21 VAL 56 -0.040 10.721 3.611 425 HG22 VAL 56 HG22 VAL 56 1.282 10.239 2.547 426 HG23 VAL 56 HG23 VAL 56 -0.355 10.391 1.909 427 H LYS 57 H LYS 57 -1.243 14.022 0.468 428 HA LYS 57 HA LYS 57 -3.862 12.663 0.420 429 HB2 LYS 57 HB2 LYS 57 -3.852 15.129 0.101 430 HB3 LYS 57 HB3 LYS 57 -2.818 14.929 -1.309 431 HG2 LYS 57 HG2 LYS 57 -5.079 15.164 -2.113 432 HG3 LYS 57 HG3 LYS 57 -4.629 13.474 -2.321 433 HD2 LYS 57 HD2 LYS 57 -5.826 12.866 -0.276 434 HD3 LYS 57 HD3 LYS 57 -6.210 14.560 0.032 435 HE2 LYS 57 HE2 LYS 57 -7.491 14.655 -2.076 436 HE3 LYS 57 HE3 LYS 57 -7.109 12.961 -2.384 437 HZ1 LYS 57 HZ1 LYS 57 -8.120 12.643 -0.030 438 HZ2 LYS 57 HZ2 LYS 57 -9.144 12.801 -1.377 439 HZ3 LYS 57 HZ3 LYS 57 -8.877 14.127 -0.348 440 H VAL 58 H VAL 58 -4.431 11.277 -1.288 441 HA VAL 58 HA VAL 58 -2.170 10.465 -3.018 442 HB VAL 58 HB VAL 58 -3.269 8.254 -3.178 443 HG11 VAL 58 HG11 VAL 58 -1.549 8.915 -1.392 444 HG12 VAL 58 HG12 VAL 58 -2.528 7.493 -1.039 445 HG13 VAL 58 HG13 VAL 58 -2.904 9.036 -0.271 446 HG21 VAL 58 HG21 VAL 58 -5.114 9.321 -1.005 447 HG22 VAL 58 HG22 VAL 58 -5.120 7.692 -1.681 448 HG23 VAL 58 HG23 VAL 58 -5.595 9.065 -2.681 449 H ASP 59 H ASP 59 -2.479 9.970 -5.098 450 HA ASP 59 HA ASP 59 -4.641 11.367 -6.463 451 HB2 ASP 59 HB2 ASP 59 -2.211 11.505 -7.164 452 HB3 ASP 59 HB3 ASP 59 -2.344 9.827 -7.653 453 H ASP 60 H ASP 60 -6.345 10.425 -7.441 454 HA ASP 60 HA ASP 60 -7.128 7.779 -6.964 455 HB2 ASP 60 HB2 ASP 60 -8.631 9.577 -7.855 456 HB3 ASP 60 HB3 ASP 60 -7.836 9.414 -9.420 457 H ALA 61 H ALA 61 -5.156 9.195 -9.453 458 HA ALA 61 HA ALA 61 -4.861 6.921 -11.149 459 HB1 ALA 61 HB1 ALA 61 -4.195 9.498 -11.450 460 HB2 ALA 61 HB2 ALA 61 -3.399 8.208 -12.352 461 HB3 ALA 61 HB3 ALA 61 -2.640 8.874 -10.913 462 H ASP 62 H ASP 62 -3.078 8.149 -8.294 463 HA ASP 62 HA ASP 62 -0.946 6.294 -8.359 464 HB2 ASP 62 HB2 ASP 62 -2.238 7.726 -6.025 465 HB3 ASP 62 HB3 ASP 62 -0.854 6.667 -5.845 466 H LEU 63 H LEU 63 -4.214 6.144 -6.981 467 HA LEU 63 HA LEU 63 -3.978 3.725 -5.582 468 HB2 LEU 63 HB2 LEU 63 -5.963 5.199 -5.434 469 HB3 LEU 63 HB3 LEU 63 -6.392 4.788 -7.089 470 HG LEU 63 HG LEU 63 -6.582 2.383 -6.391 471 HD11 LEU 63 HD11 LEU 63 -6.823 1.998 -3.890 472 HD12 LEU 63 HD12 LEU 63 -6.090 3.584 -3.652 473 HD13 LEU 63 HD13 LEU 63 -5.174 2.300 -4.441 474 HD21 LEU 63 HD21 LEU 63 -8.281 4.433 -4.944 475 HD22 LEU 63 HD22 LEU 63 -8.698 2.724 -5.066 476 HD23 LEU 63 HD23 LEU 63 -8.598 3.713 -6.522 477 H GLU 64 H GLU 64 -4.846 4.330 -9.012 478 HA GLU 64 HA GLU 64 -5.195 1.639 -9.758 479 HB2 GLU 64 HB2 GLU 64 -5.893 3.659 -11.082 480 HB3 GLU 64 HB3 GLU 64 -4.197 3.902 -11.500 481 HG2 GLU 64 HG2 GLU 64 -4.122 1.654 -12.520 482 HG3 GLU 64 HG3 GLU 64 -5.815 1.406 -12.102 483 H LYS 65 H LYS 65 -2.340 3.668 -9.486 484 HA LYS 65 HA LYS 65 -0.515 1.829 -10.780 485 HB2 LYS 65 HB2 LYS 65 0.038 4.172 -8.932 486 HB3 LYS 65 HB3 LYS 65 1.235 3.336 -9.916 487 HG2 LYS 65 HG2 LYS 65 0.281 4.132 -11.947 488 HG3 LYS 65 HG3 LYS 65 -1.200 4.640 -11.145 489 HD2 LYS 65 HD2 LYS 65 0.579 6.149 -9.746 490 HD3 LYS 65 HD3 LYS 65 1.467 5.991 -11.255 491 HE2 LYS 65 HE2 LYS 65 -0.026 7.290 -12.429 492 HE3 LYS 65 HE3 LYS 65 -1.415 6.748 -11.486 493 HZ1 LYS 65 HZ1 LYS 65 -0.813 9.091 -11.036 494 HZ2 LYS 65 HZ2 LYS 65 0.707 8.570 -10.472 495 HZ3 LYS 65 HZ3 LYS 65 -0.706 8.109 -9.655 496 H ILE 66 H ILE 66 -1.989 1.976 -7.723 497 HA ILE 66 HA ILE 66 0.111 0.331 -6.435 498 HB ILE 66 HB ILE 66 -2.087 2.025 -5.202 499 HG12 ILE 66 HG12 ILE 66 0.918 2.367 -4.998 500 HG13 ILE 66 HG13 ILE 66 -0.027 3.152 -6.257 501 HG21 ILE 66 HG21 ILE 66 -1.811 0.310 -3.625 502 HG22 ILE 66 HG22 ILE 66 -0.628 1.500 -3.085 503 HG23 ILE 66 HG23 ILE 66 -0.106 0.096 -4.005 504 HD11 ILE 66 HD11 ILE 66 -1.502 4.045 -4.322 505 HD12 ILE 66 HD12 ILE 66 0.090 4.772 -4.534 506 HD13 ILE 66 HD13 ILE 66 -0.168 3.570 -3.270 507 H SER 67 H SER 67 -0.295 -1.795 -6.542 508 HA SER 67 HA SER 67 -3.092 -2.721 -6.202 509 HB2 SER 67 HB2 SER 67 -2.513 -4.649 -7.609 510 HB3 SER 67 HB3 SER 67 -2.262 -3.138 -8.480 511 HG SER 67 HG SER 67 -0.526 -5.018 -8.157 512 H THR 68 H THR 68 0.328 -3.642 -5.740 513 HA THR 68 HA THR 68 -0.445 -5.549 -3.667 514 HB THR 68 HB THR 68 1.920 -6.272 -3.747 515 HG1 THR 68 HG1 THR 68 2.135 -4.306 -5.780 516 HG21 THR 68 HG21 THR 68 1.924 -6.961 -6.216 517 HG22 THR 68 HG22 THR 68 0.420 -6.052 -6.364 518 HG23 THR 68 HG23 THR 68 0.511 -7.435 -5.272 519 H VAL 69 H VAL 69 0.939 -5.612 -1.694 520 HA VAL 69 HA VAL 69 0.790 -3.152 -0.294 521 HB VAL 69 HB VAL 69 2.401 -5.616 0.431 522 HG11 VAL 69 HG11 VAL 69 1.272 -3.554 2.325 523 HG12 VAL 69 HG12 VAL 69 2.893 -3.406 1.652 524 HG13 VAL 69 HG13 VAL 69 2.483 -4.791 2.650 525 HG21 VAL 69 HG21 VAL 69 0.487 -6.446 1.547 526 HG22 VAL 69 HG22 VAL 69 -0.150 -5.852 0.017 527 HG23 VAL 69 HG23 VAL 69 -0.336 -4.888 1.481 528 H GLY 70 H GLY 70 3.295 -4.634 -2.241 529 HA2 GLY 70 HA2 GLY 70 5.563 -3.235 -1.310 530 HA3 GLY 70 HA3 GLY 70 5.356 -3.852 -2.950 531 H ASP 71 H ASP 71 3.107 -2.422 -3.721 532 HA ASP 71 HA ASP 71 4.207 0.061 -4.526 533 HB2 ASP 71 HB2 ASP 71 1.424 -1.091 -4.659 534 HB3 ASP 71 HB3 ASP 71 1.826 0.498 -5.301 535 H ILE 72 H ILE 72 1.927 -0.888 -1.964 536 HA ILE 72 HA ILE 72 1.135 1.714 -1.140 537 HB ILE 72 HB ILE 72 1.430 -0.886 0.405 538 HG12 ILE 72 HG12 ILE 72 -0.227 -0.879 -1.473 539 HG13 ILE 72 HG13 ILE 72 -0.949 -1.159 0.102 540 HG21 ILE 72 HG21 ILE 72 -0.214 0.213 2.034 541 HG22 ILE 72 HG22 ILE 72 0.225 1.746 1.282 542 HG23 ILE 72 HG23 ILE 72 1.454 0.783 2.100 543 HD11 ILE 72 HD11 ILE 72 -2.098 0.515 -1.563 544 HD12 ILE 72 HD12 ILE 72 -0.867 1.642 -1.007 545 HD13 ILE 72 HD13 ILE 72 -1.996 0.937 0.144 546 H VAL 73 H VAL 73 3.687 -0.464 0.030 547 HA VAL 73 HA VAL 73 4.803 1.249 1.952 548 HB VAL 73 HB VAL 73 5.987 -1.053 0.382 549 HG11 VAL 73 HG11 VAL 73 7.887 0.182 1.190 550 HG12 VAL 73 HG12 VAL 73 7.645 -1.152 2.318 551 HG13 VAL 73 HG13 VAL 73 7.114 0.474 2.748 552 HG21 VAL 73 HG21 VAL 73 5.036 -0.917 3.253 553 HG22 VAL 73 HG22 VAL 73 5.463 -2.360 2.333 554 HG23 VAL 73 HG23 VAL 73 4.014 -1.444 1.916 555 H SER 74 H SER 74 5.861 0.634 -1.409 556 HA SER 74 HA SER 74 8.011 2.457 -1.399 557 HB2 SER 74 HB2 SER 74 7.941 2.254 -3.835 558 HB3 SER 74 HB3 SER 74 7.736 0.677 -3.079 559 HG SER 74 HG SER 74 5.932 2.250 -4.496 560 H TYR 75 H TYR 75 4.593 2.879 -2.099 561 HA TYR 75 HA TYR 75 4.704 5.396 -3.329 562 HB2 TYR 75 HB2 TYR 75 2.707 3.965 -3.382 563 HB3 TYR 75 HB3 TYR 75 2.493 4.193 -1.647 564 HD1 TYR 75 HD1 TYR 75 2.552 5.960 -4.925 565 HD2 TYR 75 HD2 TYR 75 1.465 6.166 -0.776 566 HE1 TYR 75 HE1 TYR 75 1.325 8.070 -5.351 567 HE2 TYR 75 HE2 TYR 75 0.237 8.273 -1.201 568 HH TYR 75 HH TYR 75 -0.825 9.260 -3.951 569 H ILE 76 H ILE 76 4.211 4.537 0.088 570 HA ILE 76 HA ILE 76 3.960 7.206 0.989 571 HB ILE 76 HB ILE 76 4.793 4.771 2.591 572 HG12 ILE 76 HG12 ILE 76 2.051 5.987 2.118 573 HG13 ILE 76 HG13 ILE 76 2.635 4.565 1.293 574 HG21 ILE 76 HG21 ILE 76 3.810 6.113 4.472 575 HG22 ILE 76 HG22 ILE 76 3.586 7.462 3.361 576 HG23 ILE 76 HG23 ILE 76 5.211 6.910 3.756 577 HD11 ILE 76 HD11 ILE 76 2.554 4.683 4.308 578 HD12 ILE 76 HD12 ILE 76 2.678 3.262 3.271 579 HD13 ILE 76 HD13 ILE 76 1.162 4.157 3.362 580 H GLU 77 H GLU 77 6.730 5.040 0.745 581 HA GLU 77 HA GLU 77 8.610 6.612 2.123 582 HB2 GLU 77 HB2 GLU 77 8.912 4.610 -0.103 583 HB3 GLU 77 HB3 GLU 77 10.290 5.351 0.705 584 HG2 GLU 77 HG2 GLU 77 9.441 4.497 2.873 585 HG3 GLU 77 HG3 GLU 77 8.103 3.724 2.025 586 H LYS 78 H LYS 78 7.615 6.665 -1.294 587 HA LYS 78 HA LYS 78 9.598 8.689 -1.959 588 HB2 LYS 78 HB2 LYS 78 9.010 6.855 -3.535 589 HB3 LYS 78 HB3 LYS 78 7.380 7.512 -3.651 590 HG2 LYS 78 HG2 LYS 78 8.275 9.625 -4.538 591 HG3 LYS 78 HG3 LYS 78 9.919 9.006 -4.382 592 HD2 LYS 78 HD2 LYS 78 9.356 7.164 -5.949 593 HD3 LYS 78 HD3 LYS 78 7.738 7.841 -6.139 594 HE2 LYS 78 HE2 LYS 78 10.310 9.314 -6.784 595 HE3 LYS 78 HE3 LYS 78 9.274 8.531 -7.977 596 HZ1 LYS 78 HZ1 LYS 78 8.641 10.850 -6.249 597 HZ2 LYS 78 HZ2 LYS 78 7.435 9.962 -7.051 598 HZ3 LYS 78 HZ3 LYS 78 8.633 10.772 -7.944 599 H LYS 79 H LYS 79 6.097 8.475 -1.513 600 HA LYS 79 HA LYS 79 5.353 10.989 -2.495 601 HB2 LYS 79 HB2 LYS 79 3.814 9.093 -1.852 602 HB3 LYS 79 HB3 LYS 79 4.057 9.552 -0.170 603 HG2 LYS 79 HG2 LYS 79 2.054 10.655 -0.837 604 HG3 LYS 79 HG3 LYS 79 3.299 11.905 -0.873 605 HD2 LYS 79 HD2 LYS 79 3.529 11.705 -3.273 606 HD3 LYS 79 HD3 LYS 79 2.473 10.293 -3.305 607 HE2 LYS 79 HE2 LYS 79 0.610 11.707 -2.452 608 HE3 LYS 79 HE3 LYS 79 1.671 13.113 -2.534 609 HZ1 LYS 79 HZ1 LYS 79 0.738 11.414 -4.782 610 HZ2 LYS 79 HZ2 LYS 79 1.992 12.555 -4.934 611 HZ3 LYS 79 HZ3 LYS 79 0.423 13.063 -4.526 612 H LEU 80 H LEU 80 6.342 10.001 0.785 613 HA LEU 80 HA LEU 80 5.959 12.552 1.983 614 HB2 LEU 80 HB2 LEU 80 7.603 10.145 2.777 615 HB3 LEU 80 HB3 LEU 80 7.476 11.592 3.776 616 HG LEU 80 HG LEU 80 5.034 10.082 2.801 617 HD11 LEU 80 HD11 LEU 80 4.981 8.942 4.940 618 HD12 LEU 80 HD12 LEU 80 6.405 9.823 5.495 619 HD13 LEU 80 HD13 LEU 80 6.553 8.634 4.201 620 HD21 LEU 80 HD21 LEU 80 4.020 11.252 4.783 621 HD22 LEU 80 HD22 LEU 80 4.606 12.368 3.551 622 HD23 LEU 80 HD23 LEU 80 5.549 12.099 5.015 623 H GLY 81 H GLY 81 8.601 11.116 0.183 624 HA2 GLY 81 HA2 GLY 81 10.301 12.345 -0.899 625 HA3 GLY 81 HA3 GLY 81 9.999 13.690 0.197 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 12.257 10.842 13.104 2 H2 MET 1 HT2 MET 1 12.473 9.170 12.889 3 H3 MET 1 HT3 MET 1 10.944 9.870 12.647 4 HA MET 1 HA MET 1 11.868 11.176 10.788 5 HB2 MET 1 HB2 MET 1 14.267 9.439 11.422 6 HB3 MET 1 HB3 MET 1 14.068 10.297 9.894 7 HG2 MET 1 HG2 MET 1 13.988 12.436 11.050 8 HG3 MET 1 HG3 MET 1 14.023 11.629 12.617 9 HE1 MET 1 HE1 MET 1 15.782 12.663 9.448 10 HE2 MET 1 HE2 MET 1 15.977 10.924 9.244 11 HE3 MET 1 HE3 MET 1 17.392 11.935 9.519 12 H ALA 2 H ALA 2 11.982 10.172 8.599 13 HA ALA 2 HA ALA 2 10.143 8.040 8.350 14 HB1 ALA 2 HB1 ALA 2 10.337 9.661 6.578 15 HB2 ALA 2 HB2 ALA 2 10.814 8.093 5.928 16 HB3 ALA 2 HB3 ALA 2 12.044 9.283 6.353 17 H SER 3 H SER 3 10.409 5.890 7.805 18 HA SER 3 HA SER 3 12.983 4.751 7.272 19 HB2 SER 3 HB2 SER 3 13.018 5.022 9.779 20 HB3 SER 3 HB3 SER 3 11.639 3.928 9.855 21 HG SER 3 HG SER 3 14.293 3.440 9.072 22 H ARG 4 H ARG 4 12.752 2.738 6.254 23 HA ARG 4 HA ARG 4 10.327 2.099 5.079 24 HB2 ARG 4 HB2 ARG 4 12.548 1.328 4.288 25 HB3 ARG 4 HB3 ARG 4 12.636 0.223 5.657 26 HG2 ARG 4 HG2 ARG 4 10.766 -1.051 4.862 27 HG3 ARG 4 HG3 ARG 4 10.377 0.158 3.641 28 HD2 ARG 4 HD2 ARG 4 12.511 -0.293 2.503 29 HD3 ARG 4 HD3 ARG 4 12.920 -1.487 3.732 30 HE ARG 4 HE ARG 4 11.458 -2.980 2.711 31 HH11 ARG 4 HH11 ARG 4 10.874 0.246 1.459 32 HH12 ARG 4 HH12 ARG 4 9.820 -0.312 0.202 33 HH21 ARG 4 HH21 ARG 4 10.093 -3.655 1.061 34 HH22 ARG 4 HH22 ARG 4 9.381 -2.503 -0.019 35 H GLU 5 H GLU 5 11.761 0.839 8.059 36 HA GLU 5 HA GLU 5 9.927 -1.221 8.587 37 HB2 GLU 5 HB2 GLU 5 10.546 -0.925 10.981 38 HB3 GLU 5 HB3 GLU 5 11.953 -1.004 9.924 39 HG2 GLU 5 HG2 GLU 5 11.951 1.526 9.904 40 HG3 GLU 5 HG3 GLU 5 10.720 1.482 11.155 41 H GLU 6 H GLU 6 9.826 2.221 9.363 42 HA GLU 6 HA GLU 6 7.476 2.162 10.878 43 HB2 GLU 6 HB2 GLU 6 8.848 4.347 9.318 44 HB3 GLU 6 HB3 GLU 6 7.347 4.642 10.193 45 HG2 GLU 6 HG2 GLU 6 9.803 3.426 11.481 46 HG3 GLU 6 HG3 GLU 6 9.456 5.155 11.502 47 H ILE 7 H ILE 7 7.983 2.523 7.381 48 HA ILE 7 HA ILE 7 5.269 3.158 6.784 49 HB ILE 7 HB ILE 7 7.256 1.760 4.968 50 HG12 ILE 7 HG12 ILE 7 8.316 3.825 5.739 51 HG13 ILE 7 HG13 ILE 7 7.771 4.045 4.083 52 HG21 ILE 7 HG21 ILE 7 5.913 2.829 3.171 53 HG22 ILE 7 HG22 ILE 7 4.801 3.442 4.395 54 HG23 ILE 7 HG23 ILE 7 4.963 1.704 4.143 55 HD11 ILE 7 HD11 ILE 7 6.865 5.402 6.551 56 HD12 ILE 7 HD12 ILE 7 5.594 4.973 5.409 57 HD13 ILE 7 HD13 ILE 7 6.938 5.991 4.891 58 H PHE 8 H PHE 8 7.067 0.120 6.262 59 HA PHE 8 HA PHE 8 4.943 -1.503 5.649 60 HB2 PHE 8 HB2 PHE 8 7.304 -2.141 5.402 61 HB3 PHE 8 HB3 PHE 8 7.464 -2.253 7.150 62 HD1 PHE 8 HD1 PHE 8 5.696 -3.696 4.202 63 HD2 PHE 8 HD2 PHE 8 6.783 -4.219 8.325 64 HE1 PHE 8 HE1 PHE 8 4.891 -6.040 4.118 65 HE2 PHE 8 HE2 PHE 8 5.980 -6.563 8.240 66 HZ PHE 8 HZ PHE 8 5.034 -7.475 6.136 67 H SER 9 H SER 9 6.259 -0.932 8.958 68 HA SER 9 HA SER 9 4.576 -2.752 10.277 69 HB2 SER 9 HB2 SER 9 5.130 -1.495 12.315 70 HB3 SER 9 HB3 SER 9 6.558 -1.766 11.321 71 HG SER 9 HG SER 9 5.670 0.517 12.194 72 H LYS 10 H LYS 10 4.107 0.740 9.677 73 HA LYS 10 HA LYS 10 1.581 0.828 11.028 74 HB2 LYS 10 HB2 LYS 10 3.191 2.722 9.366 75 HB3 LYS 10 HB3 LYS 10 1.464 3.033 9.508 76 HG2 LYS 10 HG2 LYS 10 2.534 4.242 11.297 77 HG3 LYS 10 HG3 LYS 10 1.728 2.856 12.027 78 HD2 LYS 10 HD2 LYS 10 3.879 1.617 12.024 79 HD3 LYS 10 HD3 LYS 10 4.675 3.024 11.324 80 HE2 LYS 10 HE2 LYS 10 4.062 4.369 13.290 81 HE3 LYS 10 HE3 LYS 10 3.248 2.973 13.996 82 HZ1 LYS 10 HZ1 LYS 10 6.088 2.831 13.194 83 HZ2 LYS 10 HZ2 LYS 10 5.242 1.858 14.299 84 HZ3 LYS 10 HZ3 LYS 10 5.639 3.458 14.705 85 H VAL 11 H VAL 11 2.558 0.386 7.672 86 HA VAL 11 HA VAL 11 0.018 0.637 6.489 87 HB VAL 11 HB VAL 11 2.505 -0.879 5.652 88 HG11 VAL 11 HG11 VAL 11 0.739 -2.018 4.498 89 HG12 VAL 11 HG12 VAL 11 1.399 -0.862 3.345 90 HG13 VAL 11 HG13 VAL 11 -0.117 -0.512 4.175 91 HG21 VAL 11 HG21 VAL 11 2.979 0.998 4.314 92 HG22 VAL 11 HG22 VAL 11 2.324 1.733 5.775 93 HG23 VAL 11 HG23 VAL 11 1.312 1.569 4.345 94 H LYS 12 H LYS 12 1.772 -2.155 7.790 95 HA LYS 12 HA LYS 12 -0.207 -4.089 7.213 96 HB2 LYS 12 HB2 LYS 12 2.145 -4.641 7.864 97 HB3 LYS 12 HB3 LYS 12 1.755 -4.153 9.513 98 HG2 LYS 12 HG2 LYS 12 -0.291 -5.990 8.639 99 HG3 LYS 12 HG3 LYS 12 1.263 -6.686 8.214 100 HD2 LYS 12 HD2 LYS 12 2.024 -6.589 10.498 101 HD3 LYS 12 HD3 LYS 12 0.646 -5.606 10.975 102 HE2 LYS 12 HE2 LYS 12 -0.741 -7.406 11.155 103 HE3 LYS 12 HE3 LYS 12 -0.077 -8.210 9.730 104 HZ1 LYS 12 HZ1 LYS 12 0.386 -9.327 11.905 105 HZ2 LYS 12 HZ2 LYS 12 1.378 -8.005 12.310 106 HZ3 LYS 12 HZ3 LYS 12 1.761 -8.979 10.975 107 H SER 13 H SER 13 0.272 -1.941 10.027 108 HA SER 13 HA SER 13 -1.595 -3.180 11.726 109 HB2 SER 13 HB2 SER 13 -1.619 -1.135 12.995 110 HB3 SER 13 HB3 SER 13 0.023 -1.408 12.420 111 HG SER 13 HG SER 13 -1.926 0.412 11.500 112 H ILE 14 H ILE 14 -2.128 -0.782 9.147 113 HA ILE 14 HA ILE 14 -4.887 -0.381 9.843 114 HB ILE 14 HB ILE 14 -3.501 0.145 7.201 115 HG12 ILE 14 HG12 ILE 14 -2.297 1.337 8.973 116 HG13 ILE 14 HG13 ILE 14 -3.221 2.488 8.021 117 HG21 ILE 14 HG21 ILE 14 -6.112 0.162 7.440 118 HG22 ILE 14 HG22 ILE 14 -5.313 1.481 6.594 119 HG23 ILE 14 HG23 ILE 14 -5.852 1.700 8.256 120 HD11 ILE 14 HD11 ILE 14 -5.048 2.011 9.941 121 HD12 ILE 14 HD12 ILE 14 -3.789 3.230 10.135 122 HD13 ILE 14 HD13 ILE 14 -3.592 1.637 10.863 123 H ILE 15 H ILE 15 -3.241 -2.181 7.228 124 HA ILE 15 HA ILE 15 -5.517 -3.289 6.039 125 HB ILE 15 HB ILE 15 -2.649 -4.270 6.150 126 HG12 ILE 15 HG12 ILE 15 -4.097 -2.844 3.902 127 HG13 ILE 15 HG13 ILE 15 -3.229 -1.967 5.159 128 HG21 ILE 15 HG21 ILE 15 -4.895 -5.077 4.260 129 HG22 ILE 15 HG22 ILE 15 -4.170 -6.115 5.488 130 HG23 ILE 15 HG23 ILE 15 -3.208 -5.570 4.113 131 HD11 ILE 15 HD11 ILE 15 -1.915 -2.481 3.018 132 HD12 ILE 15 HD12 ILE 15 -1.921 -4.163 3.546 133 HD13 ILE 15 HD13 ILE 15 -1.144 -2.931 4.538 134 H SER 16 H SER 16 -3.341 -4.722 8.453 135 HA SER 16 HA SER 16 -4.692 -7.183 8.697 136 HB2 SER 16 HB2 SER 16 -2.781 -5.757 10.539 137 HB3 SER 16 HB3 SER 16 -3.379 -7.388 10.830 138 HG SER 16 HG SER 16 -2.589 -7.854 8.653 139 H GLU 17 H GLU 17 -5.023 -4.151 10.420 140 HA GLU 17 HA GLU 17 -6.691 -5.138 12.506 141 HB2 GLU 17 HB2 GLU 17 -5.421 -3.081 12.771 142 HB3 GLU 17 HB3 GLU 17 -6.302 -2.325 11.451 143 HG2 GLU 17 HG2 GLU 17 -8.387 -2.454 12.730 144 HG3 GLU 17 HG3 GLU 17 -7.571 -3.331 14.020 145 H LYS 18 H LYS 18 -7.375 -3.652 9.347 146 HA LYS 18 HA LYS 18 -10.228 -3.700 9.840 147 HB2 LYS 18 HB2 LYS 18 -8.507 -2.792 7.553 148 HB3 LYS 18 HB3 LYS 18 -10.233 -3.028 7.306 149 HG2 LYS 18 HG2 LYS 18 -10.175 -0.783 7.934 150 HG3 LYS 18 HG3 LYS 18 -10.470 -1.559 9.488 151 HD2 LYS 18 HD2 LYS 18 -8.009 -1.520 9.926 152 HD3 LYS 18 HD3 LYS 18 -7.790 -0.639 8.411 153 HE2 LYS 18 HE2 LYS 18 -9.232 1.174 9.240 154 HE3 LYS 18 HE3 LYS 18 -9.480 0.297 10.750 155 HZ1 LYS 18 HZ1 LYS 18 -7.361 0.693 11.444 156 HZ2 LYS 18 HZ2 LYS 18 -7.627 2.106 10.536 157 HZ3 LYS 18 HZ3 LYS 18 -6.734 0.821 9.872 158 H LEU 19 H LEU 19 -7.911 -5.810 8.316 159 HA LEU 19 HA LEU 19 -10.083 -7.340 7.032 160 HB2 LEU 19 HB2 LEU 19 -7.086 -7.537 6.674 161 HB3 LEU 19 HB3 LEU 19 -8.278 -8.514 5.822 162 HG LEU 19 HG LEU 19 -8.184 -5.481 5.716 163 HD11 LEU 19 HD11 LEU 19 -6.190 -6.706 4.698 164 HD12 LEU 19 HD12 LEU 19 -7.098 -5.677 3.593 165 HD13 LEU 19 HD13 LEU 19 -7.329 -7.425 3.559 166 HD21 LEU 19 HD21 LEU 19 -9.622 -5.916 3.659 167 HD22 LEU 19 HD22 LEU 19 -10.400 -6.294 5.197 168 HD23 LEU 19 HD23 LEU 19 -9.751 -7.592 4.195 169 H GLY 20 H GLY 20 -7.939 -7.458 9.738 170 HA2 GLY 20 HA2 GLY 20 -7.728 -9.014 11.437 171 HA3 GLY 20 HA3 GLY 20 -9.088 -9.884 10.729 172 H VAL 21 H VAL 21 -5.970 -9.001 9.288 173 HA VAL 21 HA VAL 21 -5.346 -11.890 8.961 174 HB VAL 21 HB VAL 21 -4.781 -9.746 6.897 175 HG11 VAL 21 HG11 VAL 21 -3.215 -11.581 6.797 176 HG12 VAL 21 HG12 VAL 21 -4.367 -11.786 5.477 177 HG13 VAL 21 HG13 VAL 21 -4.515 -12.762 6.934 178 HG21 VAL 21 HG21 VAL 21 -6.568 -10.886 5.566 179 HG22 VAL 21 HG22 VAL 21 -7.207 -10.128 7.023 180 HG23 VAL 21 HG23 VAL 21 -6.958 -11.872 6.974 181 H ASP 22 H ASP 22 -3.193 -12.502 9.150 182 HA ASP 22 HA ASP 22 -1.487 -10.574 10.507 183 HB2 ASP 22 HB2 ASP 22 -1.864 -12.869 11.414 184 HB3 ASP 22 HB3 ASP 22 -0.966 -13.503 10.034 185 H GLU 23 H GLU 23 0.668 -10.311 10.091 186 HA GLU 23 HA GLU 23 1.526 -9.303 7.762 187 HB2 GLU 23 HB2 GLU 23 2.838 -10.341 10.132 188 HB3 GLU 23 HB3 GLU 23 3.834 -10.681 8.727 189 HG2 GLU 23 HG2 GLU 23 4.139 -8.428 8.226 190 HG3 GLU 23 HG3 GLU 23 2.669 -7.935 9.057 191 H SER 24 H SER 24 1.350 -12.785 8.371 192 HA SER 24 HA SER 24 3.058 -13.763 6.428 193 HB2 SER 24 HB2 SER 24 1.660 -15.783 6.431 194 HB3 SER 24 HB3 SER 24 1.912 -15.181 8.068 195 HG SER 24 HG SER 24 -0.138 -14.116 7.848 196 H GLN 25 H GLN 25 -0.245 -12.549 6.032 197 HA GLN 25 HA GLN 25 -0.343 -13.279 3.215 198 HB2 GLN 25 HB2 GLN 25 -2.184 -11.695 4.994 199 HB3 GLN 25 HB3 GLN 25 -2.486 -11.949 3.277 200 HG2 GLN 25 HG2 GLN 25 -2.008 -14.214 5.218 201 HG3 GLN 25 HG3 GLN 25 -3.617 -13.624 4.812 202 HE21 GLN 25 HE21 GLN 25 -3.650 -13.266 2.119 203 HE22 GLN 25 HE22 GLN 25 -3.199 -14.687 1.299 204 H VAL 26 H VAL 26 0.812 -10.611 5.046 205 HA VAL 26 HA VAL 26 0.495 -8.648 2.925 206 HB VAL 26 HB VAL 26 1.987 -8.516 5.569 207 HG11 VAL 26 HG11 VAL 26 2.095 -6.126 5.240 208 HG12 VAL 26 HG12 VAL 26 1.131 -6.234 3.768 209 HG13 VAL 26 HG13 VAL 26 2.768 -6.886 3.799 210 HG21 VAL 26 HG21 VAL 26 -0.728 -7.435 4.748 211 HG22 VAL 26 HG22 VAL 26 0.040 -7.199 6.318 212 HG23 VAL 26 HG23 VAL 26 -0.456 -8.815 5.812 213 H THR 27 H THR 27 1.843 -8.442 1.265 214 HA THR 27 HA THR 27 4.714 -8.930 1.635 215 HB THR 27 HB THR 27 3.387 -10.165 -0.770 216 HG1 THR 27 HG1 THR 27 4.033 -11.479 1.637 217 HG21 THR 27 HG21 THR 27 5.825 -9.769 -0.805 218 HG22 THR 27 HG22 THR 27 5.451 -11.491 -0.809 219 HG23 THR 27 HG23 THR 27 5.990 -10.709 0.678 220 H GLU 28 H GLU 28 5.999 -7.917 0.069 221 HA GLU 28 HA GLU 28 5.015 -5.481 -0.933 222 HB2 GLU 28 HB2 GLU 28 7.482 -7.089 -1.618 223 HB3 GLU 28 HB3 GLU 28 7.162 -5.484 -2.278 224 HG2 GLU 28 HG2 GLU 28 7.047 -4.556 -0.005 225 HG3 GLU 28 HG3 GLU 28 7.334 -6.158 0.673 226 H GLU 29 H GLU 29 5.062 -8.723 -2.235 227 HA GLU 29 HA GLU 29 4.181 -7.739 -4.880 228 HB2 GLU 29 HB2 GLU 29 5.231 -10.457 -4.062 229 HB3 GLU 29 HB3 GLU 29 4.713 -10.016 -5.688 230 HG2 GLU 29 HG2 GLU 29 6.951 -8.662 -4.146 231 HG3 GLU 29 HG3 GLU 29 7.180 -9.857 -5.417 232 H ALA 30 H ALA 30 2.814 -8.804 -2.032 233 HA ALA 30 HA ALA 30 0.791 -10.546 -3.164 234 HB1 ALA 30 HB1 ALA 30 1.382 -11.011 -0.899 235 HB2 ALA 30 HB2 ALA 30 -0.228 -10.297 -0.848 236 HB3 ALA 30 HB3 ALA 30 1.181 -9.324 -0.428 237 H LYS 31 H LYS 31 -1.233 -10.006 -3.752 238 HA LYS 31 HA LYS 31 -1.845 -7.191 -4.131 239 HB2 LYS 31 HB2 LYS 31 -3.376 -9.712 -4.771 240 HB3 LYS 31 HB3 LYS 31 -3.923 -8.089 -5.182 241 HG2 LYS 31 HG2 LYS 31 -1.205 -9.057 -6.067 242 HG3 LYS 31 HG3 LYS 31 -2.648 -9.478 -6.989 243 HD2 LYS 31 HD2 LYS 31 -3.206 -6.978 -6.990 244 HD3 LYS 31 HD3 LYS 31 -1.565 -6.714 -6.401 245 HE2 LYS 31 HE2 LYS 31 -1.587 -6.513 -8.834 246 HE3 LYS 31 HE3 LYS 31 -0.694 -7.964 -8.377 247 HZ1 LYS 31 HZ1 LYS 31 -3.535 -8.383 -8.746 248 HZ2 LYS 31 HZ2 LYS 31 -2.212 -9.291 -9.314 249 HZ3 LYS 31 HZ3 LYS 31 -2.714 -7.904 -10.154 250 H LEU 32 H LEU 32 -3.175 -6.008 -2.882 251 HA LEU 32 HA LEU 32 -3.972 -6.916 -0.336 252 HB2 LEU 32 HB2 LEU 32 -4.746 -4.517 -1.993 253 HB3 LEU 32 HB3 LEU 32 -5.357 -4.774 -0.356 254 HG LEU 32 HG LEU 32 -2.383 -4.864 -0.964 255 HD11 LEU 32 HD11 LEU 32 -2.222 -2.526 -0.413 256 HD12 LEU 32 HD12 LEU 32 -3.929 -2.442 0.022 257 HD13 LEU 32 HD13 LEU 32 -3.457 -2.655 -1.664 258 HD21 LEU 32 HD21 LEU 32 -4.105 -4.507 1.508 259 HD22 LEU 32 HD22 LEU 32 -2.380 -4.146 1.497 260 HD23 LEU 32 HD23 LEU 32 -2.938 -5.786 1.174 261 H ILE 33 H ILE 33 -5.770 -6.646 -3.398 262 HA ILE 33 HA ILE 33 -8.186 -7.620 -2.092 263 HB ILE 33 HB ILE 33 -8.330 -5.778 -3.729 264 HG12 ILE 33 HG12 ILE 33 -9.768 -8.216 -4.803 265 HG13 ILE 33 HG13 ILE 33 -10.200 -7.487 -3.255 266 HG21 ILE 33 HG21 ILE 33 -7.724 -7.866 -5.838 267 HG22 ILE 33 HG22 ILE 33 -6.520 -6.725 -5.242 268 HG23 ILE 33 HG23 ILE 33 -7.959 -6.134 -6.073 269 HD11 ILE 33 HD11 ILE 33 -10.101 -5.958 -5.872 270 HD12 ILE 33 HD12 ILE 33 -10.708 -5.372 -4.323 271 HD13 ILE 33 HD13 ILE 33 -11.574 -6.643 -5.188 272 H ASP 34 H ASP 34 -5.991 -8.763 -4.673 273 HA ASP 34 HA ASP 34 -7.451 -11.231 -4.993 274 HB2 ASP 34 HB2 ASP 34 -4.755 -10.414 -6.080 275 HB3 ASP 34 HB3 ASP 34 -5.673 -11.829 -6.575 276 H ASP 35 H ASP 35 -4.482 -10.310 -3.284 277 HA ASP 35 HA ASP 35 -4.004 -13.126 -2.578 278 HB2 ASP 35 HB2 ASP 35 -2.164 -11.637 -3.463 279 HB3 ASP 35 HB3 ASP 35 -2.246 -10.775 -1.928 280 H LEU 36 H LEU 36 -5.195 -10.185 -1.166 281 HA LEU 36 HA LEU 36 -5.046 -11.430 1.516 282 HB2 LEU 36 HB2 LEU 36 -4.705 -8.662 0.562 283 HB3 LEU 36 HB3 LEU 36 -5.717 -8.807 1.993 284 HG LEU 36 HG LEU 36 -3.026 -10.182 1.812 285 HD11 LEU 36 HD11 LEU 36 -2.134 -8.209 3.096 286 HD12 LEU 36 HD12 LEU 36 -3.632 -7.355 2.730 287 HD13 LEU 36 HD13 LEU 36 -2.549 -7.833 1.424 288 HD21 LEU 36 HD21 LEU 36 -4.555 -10.894 3.594 289 HD22 LEU 36 HD22 LEU 36 -4.770 -9.219 4.104 290 HD23 LEU 36 HD23 LEU 36 -3.201 -10.002 4.288 291 H GLY 37 H GLY 37 -7.187 -10.378 -1.002 292 HA2 GLY 37 HA2 GLY 37 -9.456 -10.881 -1.182 293 HA3 GLY 37 HA3 GLY 37 -9.457 -11.390 0.500 294 H ALA 38 H ALA 38 -8.097 -8.285 -0.204 295 HA ALA 38 HA ALA 38 -10.240 -6.978 1.273 296 HB1 ALA 38 HB1 ALA 38 -7.860 -5.606 0.032 297 HB2 ALA 38 HB2 ALA 38 -7.713 -6.513 1.537 298 HB3 ALA 38 HB3 ALA 38 -8.794 -5.123 1.447 299 H ASP 39 H ASP 39 -11.988 -6.604 0.134 300 HA ASP 39 HA ASP 39 -12.186 -6.301 -2.639 301 HB2 ASP 39 HB2 ASP 39 -14.087 -6.842 -1.095 302 HB3 ASP 39 HB3 ASP 39 -14.096 -5.154 -0.587 303 H SER 40 H SER 40 -12.662 -4.435 -3.919 304 HA SER 40 HA SER 40 -10.865 -2.381 -3.759 305 HB2 SER 40 HB2 SER 40 -12.296 -1.147 -5.334 306 HB3 SER 40 HB3 SER 40 -12.172 -2.849 -5.768 307 HG SER 40 HG SER 40 -14.352 -1.762 -5.676 308 H LEU 41 H LEU 41 -14.152 -2.387 -2.368 309 HA LEU 41 HA LEU 41 -14.170 0.327 -1.551 310 HB2 LEU 41 HB2 LEU 41 -16.206 -1.088 -1.575 311 HB3 LEU 41 HB3 LEU 41 -15.540 -2.066 -0.274 312 HG LEU 41 HG LEU 41 -15.474 -0.006 1.166 313 HD11 LEU 41 HD11 LEU 41 -15.415 1.762 -0.462 314 HD12 LEU 41 HD12 LEU 41 -16.960 1.902 0.375 315 HD13 LEU 41 HD13 LEU 41 -16.891 1.184 -1.234 316 HD21 LEU 41 HD21 LEU 41 -17.952 0.087 1.500 317 HD22 LEU 41 HD22 LEU 41 -17.340 -1.562 1.364 318 HD23 LEU 41 HD23 LEU 41 -18.154 -0.806 -0.006 319 H ASP 42 H ASP 42 -13.240 -2.651 0.104 320 HA ASP 42 HA ASP 42 -12.407 -1.532 2.546 321 HB2 ASP 42 HB2 ASP 42 -11.539 -4.040 1.105 322 HB3 ASP 42 HB3 ASP 42 -11.000 -3.626 2.730 323 H LEU 43 H LEU 43 -10.671 -2.106 -0.475 324 HA LEU 43 HA LEU 43 -8.079 -1.454 0.359 325 HB2 LEU 43 HB2 LEU 43 -8.625 -2.581 -1.776 326 HB3 LEU 43 HB3 LEU 43 -9.364 -1.100 -2.366 327 HG LEU 43 HG LEU 43 -7.151 0.058 -2.098 328 HD11 LEU 43 HD11 LEU 43 -6.122 -1.380 -0.413 329 HD12 LEU 43 HD12 LEU 43 -5.130 -1.399 -1.870 330 HD13 LEU 43 HD13 LEU 43 -6.190 -2.761 -1.508 331 HD21 LEU 43 HD21 LEU 43 -6.132 -0.966 -4.082 332 HD22 LEU 43 HD22 LEU 43 -7.885 -0.902 -4.267 333 HD23 LEU 43 HD23 LEU 43 -7.099 -2.423 -3.845 334 H VAL 44 H VAL 44 -10.703 0.563 -0.955 335 HA VAL 44 HA VAL 44 -9.245 2.960 -1.159 336 HB VAL 44 HB VAL 44 -12.201 2.442 -0.727 337 HG11 VAL 44 HG11 VAL 44 -11.743 4.719 0.030 338 HG12 VAL 44 HG12 VAL 44 -12.532 4.785 -1.545 339 HG13 VAL 44 HG13 VAL 44 -10.791 5.042 -1.418 340 HG21 VAL 44 HG21 VAL 44 -10.763 3.377 -3.218 341 HG22 VAL 44 HG22 VAL 44 -12.392 2.713 -3.087 342 HG23 VAL 44 HG23 VAL 44 -10.990 1.668 -2.852 343 H ASP 45 H ASP 45 -11.195 1.641 1.520 344 HA ASP 45 HA ASP 45 -10.905 3.813 3.284 345 HB2 ASP 45 HB2 ASP 45 -11.354 0.868 3.777 346 HB3 ASP 45 HB3 ASP 45 -11.353 2.062 5.070 347 H LEU 46 H LEU 46 -8.901 0.936 2.793 348 HA LEU 46 HA LEU 46 -7.128 1.306 4.960 349 HB2 LEU 46 HB2 LEU 46 -6.759 -0.050 2.280 350 HB3 LEU 46 HB3 LEU 46 -5.583 -0.136 3.591 351 HG LEU 46 HG LEU 46 -8.487 -0.931 3.925 352 HD11 LEU 46 HD11 LEU 46 -7.187 -2.310 2.212 353 HD12 LEU 46 HD12 LEU 46 -7.866 -3.209 3.568 354 HD13 LEU 46 HD13 LEU 46 -6.149 -2.810 3.546 355 HD21 LEU 46 HD21 LEU 46 -7.398 -2.245 5.859 356 HD22 LEU 46 HD22 LEU 46 -7.520 -0.497 6.049 357 HD23 LEU 46 HD23 LEU 46 -5.982 -1.227 5.590 358 H VAL 47 H VAL 47 -6.761 2.262 1.516 359 HA VAL 47 HA VAL 47 -4.280 3.519 1.862 360 HB VAL 47 HB VAL 47 -5.069 2.926 -0.360 361 HG11 VAL 47 HG11 VAL 47 -7.439 3.339 -0.166 362 HG12 VAL 47 HG12 VAL 47 -6.820 4.379 -1.447 363 HG13 VAL 47 HG13 VAL 47 -7.171 5.055 0.141 364 HG21 VAL 47 HG21 VAL 47 -3.449 4.833 -0.056 365 HG22 VAL 47 HG22 VAL 47 -4.814 5.945 -0.175 366 HG23 VAL 47 HG23 VAL 47 -4.390 4.921 -1.547 367 H MET 48 H MET 48 -7.591 4.808 2.229 368 HA MET 48 HA MET 48 -6.911 7.511 2.571 369 HB2 MET 48 HB2 MET 48 -9.164 5.851 3.720 370 HB3 MET 48 HB3 MET 48 -9.042 7.595 3.947 371 HG2 MET 48 HG2 MET 48 -9.031 6.264 1.227 372 HG3 MET 48 HG3 MET 48 -10.486 6.902 1.991 373 HE1 MET 48 HE1 MET 48 -10.259 10.561 2.032 374 HE2 MET 48 HE2 MET 48 -9.634 9.656 3.410 375 HE3 MET 48 HE3 MET 48 -11.030 9.046 2.524 376 H ASP 49 H ASP 49 -7.072 4.826 4.891 377 HA ASP 49 HA ASP 49 -6.609 6.231 7.252 378 HB2 ASP 49 HB2 ASP 49 -7.044 3.704 6.947 379 HB3 ASP 49 HB3 ASP 49 -5.296 3.561 6.736 380 H PHE 50 H PHE 50 -4.311 5.097 4.803 381 HA PHE 50 HA PHE 50 -1.946 5.982 6.204 382 HB2 PHE 50 HB2 PHE 50 -2.222 5.651 3.207 383 HB3 PHE 50 HB3 PHE 50 -0.749 5.585 4.155 384 HD1 PHE 50 HD1 PHE 50 -2.084 3.539 2.157 385 HD2 PHE 50 HD2 PHE 50 -1.861 3.764 6.444 386 HE1 PHE 50 HE1 PHE 50 -2.348 1.085 2.301 387 HE2 PHE 50 HE2 PHE 50 -2.125 1.308 6.578 388 HZ PHE 50 HZ PHE 50 -2.379 -0.028 4.505 389 H GLU 51 H GLU 51 -4.158 7.379 3.868 390 HA GLU 51 HA GLU 51 -2.739 9.643 3.042 391 HB2 GLU 51 HB2 GLU 51 -4.892 8.758 2.080 392 HB3 GLU 51 HB3 GLU 51 -5.732 9.443 3.465 393 HG2 GLU 51 HG2 GLU 51 -4.824 11.688 2.858 394 HG3 GLU 51 HG3 GLU 51 -4.119 10.966 1.414 395 H SER 52 H SER 52 -5.002 9.256 5.785 396 HA SER 52 HA SER 52 -4.659 11.968 6.694 397 HB2 SER 52 HB2 SER 52 -5.921 9.556 8.002 398 HB3 SER 52 HB3 SER 52 -5.954 11.183 8.674 399 HG SER 52 HG SER 52 -7.380 11.750 7.218 400 H GLU 53 H GLU 53 -3.526 8.803 7.782 401 HA GLU 53 HA GLU 53 -2.201 9.632 10.112 402 HB2 GLU 53 HB2 GLU 53 -1.712 7.281 8.287 403 HB3 GLU 53 HB3 GLU 53 -0.816 7.523 9.785 404 HG2 GLU 53 HG2 GLU 53 -3.839 7.359 9.593 405 HG3 GLU 53 HG3 GLU 53 -2.794 6.032 10.090 406 H PHE 54 H PHE 54 -0.839 9.245 6.808 407 HA PHE 54 HA PHE 54 1.725 10.248 7.715 408 HB2 PHE 54 HB2 PHE 54 0.676 9.427 5.006 409 HB3 PHE 54 HB3 PHE 54 2.288 10.102 5.230 410 HD1 PHE 54 HD1 PHE 54 0.184 7.155 5.620 411 HD2 PHE 54 HD2 PHE 54 3.908 8.949 6.786 412 HE1 PHE 54 HE1 PHE 54 1.013 4.945 6.370 413 HE2 PHE 54 HE2 PHE 54 4.739 6.737 7.534 414 HZ PHE 54 HZ PHE 54 3.291 4.734 7.327 415 H GLY 55 H GLY 55 -1.099 11.854 7.056 416 HA2 GLY 55 HA2 GLY 55 -1.585 14.072 6.668 417 HA3 GLY 55 HA3 GLY 55 0.100 14.404 7.055 418 H VAL 56 H VAL 56 -0.979 12.322 4.438 419 HA VAL 56 HA VAL 56 -0.164 14.360 2.461 420 HB VAL 56 HB VAL 56 0.953 12.578 1.137 421 HG11 VAL 56 HG11 VAL 56 2.115 12.682 3.921 422 HG12 VAL 56 HG12 VAL 56 2.133 14.075 2.841 423 HG13 VAL 56 HG13 VAL 56 2.975 12.595 2.385 424 HG21 VAL 56 HG21 VAL 56 0.287 10.919 3.582 425 HG22 VAL 56 HG22 VAL 56 1.572 10.469 2.461 426 HG23 VAL 56 HG23 VAL 56 -0.097 10.566 1.898 427 H LYS 57 H LYS 57 -1.159 14.227 0.458 428 HA LYS 57 HA LYS 57 -3.735 12.808 0.462 429 HB2 LYS 57 HB2 LYS 57 -3.731 15.259 0.052 430 HB3 LYS 57 HB3 LYS 57 -2.714 15.009 -1.361 431 HG2 LYS 57 HG2 LYS 57 -4.984 15.218 -2.147 432 HG3 LYS 57 HG3 LYS 57 -4.536 13.522 -2.302 433 HD2 LYS 57 HD2 LYS 57 -5.706 12.988 -0.220 434 HD3 LYS 57 HD3 LYS 57 -6.093 14.690 0.027 435 HE2 LYS 57 HE2 LYS 57 -7.396 14.698 -2.070 436 HE3 LYS 57 HE3 LYS 57 -7.012 12.994 -2.313 437 HZ1 LYS 57 HZ1 LYS 57 -7.989 12.807 0.087 438 HZ2 LYS 57 HZ2 LYS 57 -9.014 12.830 -1.267 439 HZ3 LYS 57 HZ3 LYS 57 -8.789 14.238 -0.343 440 H VAL 58 H VAL 58 -4.364 11.413 -1.236 441 HA VAL 58 HA VAL 58 -2.124 10.488 -2.935 442 HB VAL 58 HB VAL 58 -3.313 8.324 -3.079 443 HG11 VAL 58 HG11 VAL 58 -2.633 7.555 -0.922 444 HG12 VAL 58 HG12 VAL 58 -2.955 9.120 -0.174 445 HG13 VAL 58 HG13 VAL 58 -1.591 8.932 -1.272 446 HG21 VAL 58 HG21 VAL 58 -5.606 9.285 -2.600 447 HG22 VAL 58 HG22 VAL 58 -5.124 9.453 -0.914 448 HG23 VAL 58 HG23 VAL 58 -5.217 7.853 -1.644 449 H ASP 59 H ASP 59 -2.431 10.037 -5.021 450 HA ASP 59 HA ASP 59 -4.544 11.503 -6.387 451 HB2 ASP 59 HB2 ASP 59 -2.105 11.536 -7.088 452 HB3 ASP 59 HB3 ASP 59 -2.321 9.873 -7.596 453 H ASP 60 H ASP 60 -6.228 10.642 -7.471 454 HA ASP 60 HA ASP 60 -7.164 8.039 -6.946 455 HB2 ASP 60 HB2 ASP 60 -7.756 9.911 -9.258 456 HB3 ASP 60 HB3 ASP 60 -8.608 8.392 -9.011 457 H ALA 61 H ALA 61 -5.127 9.360 -9.439 458 HA ALA 61 HA ALA 61 -4.896 7.059 -11.100 459 HB1 ALA 61 HB1 ALA 61 -3.329 8.261 -12.277 460 HB2 ALA 61 HB2 ALA 61 -2.619 8.950 -10.823 461 HB3 ALA 61 HB3 ALA 61 -4.136 9.589 -11.444 462 H ASP 62 H ASP 62 -3.121 8.238 -8.210 463 HA ASP 62 HA ASP 62 -1.060 6.303 -8.237 464 HB2 ASP 62 HB2 ASP 62 -2.320 7.791 -5.922 465 HB3 ASP 62 HB3 ASP 62 -0.979 6.683 -5.725 466 H LEU 63 H LEU 63 -4.354 6.273 -6.918 467 HA LEU 63 HA LEU 63 -4.232 3.855 -5.505 468 HB2 LEU 63 HB2 LEU 63 -6.180 5.389 -5.429 469 HB3 LEU 63 HB3 LEU 63 -6.572 4.967 -7.090 470 HG LEU 63 HG LEU 63 -6.837 2.575 -6.366 471 HD11 LEU 63 HD11 LEU 63 -6.407 3.815 -3.634 472 HD12 LEU 63 HD12 LEU 63 -5.504 2.489 -4.366 473 HD13 LEU 63 HD13 LEU 63 -7.178 2.245 -3.866 474 HD21 LEU 63 HD21 LEU 63 -8.551 4.624 -4.927 475 HD22 LEU 63 HD22 LEU 63 -9.007 2.945 -5.225 476 HD23 LEU 63 HD23 LEU 63 -8.786 4.054 -6.580 477 H GLU 64 H GLU 64 -4.987 4.464 -8.963 478 HA GLU 64 HA GLU 64 -5.354 1.757 -9.680 479 HB2 GLU 64 HB2 GLU 64 -4.558 4.196 -11.274 480 HB3 GLU 64 HB3 GLU 64 -4.858 2.621 -12.008 481 HG2 GLU 64 HG2 GLU 64 -7.136 2.600 -11.192 482 HG3 GLU 64 HG3 GLU 64 -6.858 4.053 -10.239 483 H LYS 65 H LYS 65 -2.491 3.720 -9.245 484 HA LYS 65 HA LYS 65 -0.679 1.887 -10.594 485 HB2 LYS 65 HB2 LYS 65 -0.110 4.219 -8.741 486 HB3 LYS 65 HB3 LYS 65 1.092 3.355 -9.694 487 HG2 LYS 65 HG2 LYS 65 0.181 4.145 -11.750 488 HG3 LYS 65 HG3 LYS 65 -1.294 4.702 -10.974 489 HD2 LYS 65 HD2 LYS 65 0.509 6.178 -9.569 490 HD3 LYS 65 HD3 LYS 65 1.412 5.975 -11.063 491 HE2 LYS 65 HE2 LYS 65 -0.027 7.301 -12.273 492 HE3 LYS 65 HE3 LYS 65 -1.444 6.811 -11.343 493 HZ1 LYS 65 HZ1 LYS 65 -0.781 9.142 -10.914 494 HZ2 LYS 65 HZ2 LYS 65 0.715 8.586 -10.322 495 HZ3 LYS 65 HZ3 LYS 65 -0.722 8.174 -9.520 496 H ILE 66 H ILE 66 -2.196 1.974 -7.559 497 HA ILE 66 HA ILE 66 -0.082 0.327 -6.294 498 HB ILE 66 HB ILE 66 -2.323 1.905 -4.994 499 HG12 ILE 66 HG12 ILE 66 0.672 2.357 -4.805 500 HG13 ILE 66 HG13 ILE 66 -0.330 3.162 -6.009 501 HG21 ILE 66 HG21 ILE 66 -0.392 1.171 -3.049 502 HG22 ILE 66 HG22 ILE 66 -0.694 -0.299 -3.970 503 HG23 ILE 66 HG23 ILE 66 -2.032 0.549 -3.205 504 HD11 ILE 66 HD11 ILE 66 -1.797 3.924 -4.039 505 HD12 ILE 66 HD12 ILE 66 -0.212 4.685 -4.184 506 HD13 ILE 66 HD13 ILE 66 -0.470 3.404 -2.999 507 H SER 67 H SER 67 -0.431 -1.794 -6.419 508 HA SER 67 HA SER 67 -3.211 -2.794 -6.169 509 HB2 SER 67 HB2 SER 67 -2.518 -4.716 -7.524 510 HB3 SER 67 HB3 SER 67 -2.246 -3.211 -8.398 511 HG SER 67 HG SER 67 -0.208 -3.685 -8.436 512 H THR 68 H THR 68 0.204 -3.674 -5.586 513 HA THR 68 HA THR 68 -0.618 -5.510 -3.456 514 HB THR 68 HB THR 68 1.746 -6.263 -3.503 515 HG1 THR 68 HG1 THR 68 2.791 -4.430 -4.118 516 HG21 THR 68 HG21 THR 68 0.056 -7.279 -5.030 517 HG22 THR 68 HG22 THR 68 1.682 -7.303 -5.712 518 HG23 THR 68 HG23 THR 68 0.510 -6.110 -6.270 519 H VAL 69 H VAL 69 0.782 -5.549 -1.491 520 HA VAL 69 HA VAL 69 0.660 -3.080 -0.118 521 HB VAL 69 HB VAL 69 2.307 -5.525 0.595 522 HG11 VAL 69 HG11 VAL 69 2.354 -4.681 2.838 523 HG12 VAL 69 HG12 VAL 69 1.237 -3.378 2.436 524 HG13 VAL 69 HG13 VAL 69 2.878 -3.363 1.794 525 HG21 VAL 69 HG21 VAL 69 -0.241 -5.793 0.252 526 HG22 VAL 69 HG22 VAL 69 -0.408 -4.785 1.689 527 HG23 VAL 69 HG23 VAL 69 0.427 -6.333 1.792 528 H GLY 70 H GLY 70 3.163 -4.561 -2.080 529 HA2 GLY 70 HA2 GLY 70 5.421 -3.122 -1.191 530 HA3 GLY 70 HA3 GLY 70 5.209 -3.768 -2.817 531 H ASP 71 H ASP 71 2.929 -2.355 -3.584 532 HA ASP 71 HA ASP 71 4.024 0.101 -4.466 533 HB2 ASP 71 HB2 ASP 71 1.210 -0.990 -4.466 534 HB3 ASP 71 HB3 ASP 71 1.641 0.558 -5.181 535 H ILE 72 H ILE 72 1.784 -0.775 -1.848 536 HA ILE 72 HA ILE 72 1.082 1.859 -1.037 537 HB ILE 72 HB ILE 72 1.267 -0.759 0.491 538 HG12 ILE 72 HG12 ILE 72 -0.415 -0.629 -1.354 539 HG13 ILE 72 HG13 ILE 72 -1.142 -0.862 0.228 540 HG21 ILE 72 HG21 ILE 72 -0.195 0.344 2.218 541 HG22 ILE 72 HG22 ILE 72 0.118 1.889 1.427 542 HG23 ILE 72 HG23 ILE 72 1.447 0.990 2.157 543 HD11 ILE 72 HD11 ILE 72 -2.374 0.813 -1.166 544 HD12 ILE 72 HD12 ILE 72 -0.938 1.830 -1.177 545 HD13 ILE 72 HD13 ILE 72 -1.768 1.500 0.338 546 H VAL 73 H VAL 73 3.599 -0.378 0.113 547 HA VAL 73 HA VAL 73 4.778 1.308 2.023 548 HB VAL 73 HB VAL 73 5.906 -0.993 0.409 549 HG11 VAL 73 HG11 VAL 73 7.624 -1.130 2.258 550 HG12 VAL 73 HG12 VAL 73 7.091 0.463 2.795 551 HG13 VAL 73 HG13 VAL 73 7.819 0.267 1.201 552 HG21 VAL 73 HG21 VAL 73 5.038 -0.883 3.305 553 HG22 VAL 73 HG22 VAL 73 5.396 -2.316 2.341 554 HG23 VAL 73 HG23 VAL 73 3.958 -1.357 1.993 555 H SER 74 H SER 74 5.741 0.705 -1.362 556 HA SER 74 HA SER 74 7.913 2.484 -1.438 557 HB2 SER 74 HB2 SER 74 7.565 0.796 -3.160 558 HB3 SER 74 HB3 SER 74 6.087 1.598 -3.682 559 HG SER 74 HG SER 74 8.192 2.067 -4.807 560 H TYR 75 H TYR 75 4.484 2.979 -2.087 561 HA TYR 75 HA TYR 75 4.621 5.532 -3.208 562 HB2 TYR 75 HB2 TYR 75 2.597 4.109 -3.243 563 HB3 TYR 75 HB3 TYR 75 2.403 4.370 -1.510 564 HD1 TYR 75 HD1 TYR 75 2.485 6.075 -4.814 565 HD2 TYR 75 HD2 TYR 75 1.450 6.394 -0.659 566 HE1 TYR 75 HE1 TYR 75 1.329 8.218 -5.267 567 HE2 TYR 75 HE2 TYR 75 0.288 8.534 -1.111 568 HH TYR 75 HH TYR 75 -0.680 9.520 -4.022 569 H ILE 76 H ILE 76 4.215 4.573 0.200 570 HA ILE 76 HA ILE 76 4.023 7.224 1.175 571 HB ILE 76 HB ILE 76 4.896 4.748 2.688 572 HG12 ILE 76 HG12 ILE 76 2.146 5.993 2.359 573 HG13 ILE 76 HG13 ILE 76 2.682 4.597 1.466 574 HG21 ILE 76 HG21 ILE 76 3.727 7.426 3.559 575 HG22 ILE 76 HG22 ILE 76 5.369 6.873 3.868 576 HG23 ILE 76 HG23 ILE 76 4.006 6.056 4.632 577 HD11 ILE 76 HD11 ILE 76 2.808 4.570 4.473 578 HD12 ILE 76 HD12 ILE 76 2.730 3.210 3.356 579 HD13 ILE 76 HD13 ILE 76 1.299 4.199 3.640 580 H GLU 77 H GLU 77 6.749 5.027 0.793 581 HA GLU 77 HA GLU 77 8.714 6.555 2.101 582 HB2 GLU 77 HB2 GLU 77 8.878 4.564 -0.148 583 HB3 GLU 77 HB3 GLU 77 10.304 5.266 0.609 584 HG2 GLU 77 HG2 GLU 77 9.623 4.363 2.777 585 HG3 GLU 77 HG3 GLU 77 8.130 3.747 2.070 586 H LYS 78 H LYS 78 7.618 6.605 -1.290 587 HA LYS 78 HA LYS 78 9.625 8.573 -2.026 588 HB2 LYS 78 HB2 LYS 78 8.881 6.674 -3.515 589 HB3 LYS 78 HB3 LYS 78 7.341 7.514 -3.695 590 HG2 LYS 78 HG2 LYS 78 8.543 9.510 -4.554 591 HG3 LYS 78 HG3 LYS 78 10.068 8.636 -4.416 592 HD2 LYS 78 HD2 LYS 78 7.747 7.607 -6.064 593 HD3 LYS 78 HD3 LYS 78 9.000 8.646 -6.737 594 HE2 LYS 78 HE2 LYS 78 10.719 6.988 -6.020 595 HE3 LYS 78 HE3 LYS 78 9.429 5.935 -5.444 596 HZ1 LYS 78 HZ1 LYS 78 8.512 6.186 -7.804 597 HZ2 LYS 78 HZ2 LYS 78 9.851 5.168 -7.571 598 HZ3 LYS 78 HZ3 LYS 78 10.067 6.726 -8.212 599 H LYS 79 H LYS 79 6.116 8.456 -1.587 600 HA LYS 79 HA LYS 79 5.456 10.986 -2.588 601 HB2 LYS 79 HB2 LYS 79 3.857 9.134 -1.978 602 HB3 LYS 79 HB3 LYS 79 4.084 9.578 -0.289 603 HG2 LYS 79 HG2 LYS 79 2.123 10.738 -0.979 604 HG3 LYS 79 HG3 LYS 79 3.400 11.955 -0.998 605 HD2 LYS 79 HD2 LYS 79 3.648 11.765 -3.391 606 HD3 LYS 79 HD3 LYS 79 2.583 10.363 -3.445 607 HE2 LYS 79 HE2 LYS 79 0.719 11.796 -2.603 608 HE3 LYS 79 HE3 LYS 79 1.795 13.191 -2.691 609 HZ1 LYS 79 HZ1 LYS 79 0.809 11.499 -4.916 610 HZ2 LYS 79 HZ2 LYS 79 2.136 12.550 -5.092 611 HZ3 LYS 79 HZ3 LYS 79 0.605 13.171 -4.698 612 H LEU 80 H LEU 80 6.373 9.977 0.708 613 HA LEU 80 HA LEU 80 6.024 12.533 1.904 614 HB2 LEU 80 HB2 LEU 80 7.620 10.096 2.708 615 HB3 LEU 80 HB3 LEU 80 7.513 11.544 3.709 616 HG LEU 80 HG LEU 80 5.045 10.086 2.716 617 HD11 LEU 80 HD11 LEU 80 6.390 9.776 5.417 618 HD12 LEU 80 HD12 LEU 80 6.544 8.602 4.111 619 HD13 LEU 80 HD13 LEU 80 4.966 8.916 4.832 620 HD21 LEU 80 HD21 LEU 80 4.016 11.269 4.648 621 HD22 LEU 80 HD22 LEU 80 4.725 12.404 3.504 622 HD23 LEU 80 HD23 LEU 80 5.570 12.020 5.001 623 H GLY 81 H GLY 81 8.662 11.054 0.128 624 HA2 GLY 81 HA2 GLY 81 10.343 12.343 -0.962 625 HA3 GLY 81 HA3 GLY 81 10.131 13.600 0.252 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 10.234 7.934 13.148 2 H2 MET 1 HT2 MET 1 10.402 6.581 12.134 3 H3 MET 1 HT3 MET 1 8.927 6.875 12.926 4 HA MET 1 HA MET 1 8.398 7.683 10.884 5 HB2 MET 1 HB2 MET 1 8.282 9.507 12.615 6 HB3 MET 1 HB3 MET 1 9.876 10.043 12.089 7 HG2 MET 1 HG2 MET 1 9.008 10.400 9.804 8 HG3 MET 1 HG3 MET 1 7.411 9.868 10.329 9 HE1 MET 1 HE1 MET 1 5.972 10.845 11.856 10 HE2 MET 1 HE2 MET 1 6.005 12.472 12.533 11 HE3 MET 1 HE3 MET 1 7.000 11.207 13.249 12 H ALA 2 H ALA 2 9.025 8.383 8.795 13 HA ALA 2 HA ALA 2 10.381 8.368 6.947 14 HB1 ALA 2 HB1 ALA 2 12.153 9.892 6.984 15 HB2 ALA 2 HB2 ALA 2 12.584 9.500 8.649 16 HB3 ALA 2 HB3 ALA 2 11.140 10.454 8.315 17 H SER 3 H SER 3 10.254 5.926 7.614 18 HA SER 3 HA SER 3 12.851 4.833 7.093 19 HB2 SER 3 HB2 SER 3 12.836 5.080 9.610 20 HB3 SER 3 HB3 SER 3 11.492 3.941 9.644 21 HG SER 3 HG SER 3 14.016 3.356 9.610 22 H ARG 4 H ARG 4 12.652 2.855 6.019 23 HA ARG 4 HA ARG 4 10.237 2.197 4.827 24 HB2 ARG 4 HB2 ARG 4 12.462 1.495 3.998 25 HB3 ARG 4 HB3 ARG 4 12.605 0.378 5.352 26 HG2 ARG 4 HG2 ARG 4 10.724 -0.924 4.565 27 HG3 ARG 4 HG3 ARG 4 10.358 0.270 3.320 28 HD2 ARG 4 HD2 ARG 4 12.481 -0.189 2.206 29 HD3 ARG 4 HD3 ARG 4 12.939 -1.308 3.486 30 HE ARG 4 HE ARG 4 11.546 -2.905 2.533 31 HH11 ARG 4 HH11 ARG 4 10.822 0.227 1.131 32 HH12 ARG 4 HH12 ARG 4 9.795 -0.437 -0.098 33 HH21 ARG 4 HH21 ARG 4 10.217 -3.716 0.927 34 HH22 ARG 4 HH22 ARG 4 9.455 -2.654 -0.209 35 H GLU 5 H GLU 5 11.736 0.839 7.736 36 HA GLU 5 HA GLU 5 9.923 -1.247 8.220 37 HB2 GLU 5 HB2 GLU 5 10.606 -1.048 10.609 38 HB3 GLU 5 HB3 GLU 5 11.981 -1.086 9.509 39 HG2 GLU 5 HG2 GLU 5 12.026 1.424 9.597 40 HG3 GLU 5 HG3 GLU 5 10.782 1.375 10.832 41 H GLU 6 H GLU 6 9.816 2.164 9.127 42 HA GLU 6 HA GLU 6 7.553 2.038 10.750 43 HB2 GLU 6 HB2 GLU 6 8.747 4.290 9.137 44 HB3 GLU 6 HB3 GLU 6 7.346 4.515 10.183 45 HG2 GLU 6 HG2 GLU 6 9.963 3.332 11.141 46 HG3 GLU 6 HG3 GLU 6 9.565 5.044 11.273 47 H ILE 7 H ILE 7 7.871 2.489 7.250 48 HA ILE 7 HA ILE 7 5.130 3.117 6.765 49 HB ILE 7 HB ILE 7 7.052 1.737 4.865 50 HG12 ILE 7 HG12 ILE 7 8.127 3.800 5.638 51 HG13 ILE 7 HG13 ILE 7 7.559 4.018 3.989 52 HG21 ILE 7 HG21 ILE 7 5.645 2.856 3.132 53 HG22 ILE 7 HG22 ILE 7 4.562 3.400 4.412 54 HG23 ILE 7 HG23 ILE 7 4.753 1.677 4.095 55 HD11 ILE 7 HD11 ILE 7 6.761 5.975 4.835 56 HD12 ILE 7 HD12 ILE 7 6.661 5.355 6.483 57 HD13 ILE 7 HD13 ILE 7 5.401 4.960 5.316 58 H PHE 8 H PHE 8 6.933 0.083 6.236 59 HA PHE 8 HA PHE 8 4.813 -1.553 5.611 60 HB2 PHE 8 HB2 PHE 8 7.178 -2.181 5.363 61 HB3 PHE 8 HB3 PHE 8 7.338 -2.292 7.113 62 HD1 PHE 8 HD1 PHE 8 5.547 -3.732 4.174 63 HD2 PHE 8 HD2 PHE 8 6.691 -4.269 8.279 64 HE1 PHE 8 HE1 PHE 8 4.752 -6.079 4.088 65 HE2 PHE 8 HE2 PHE 8 5.898 -6.617 8.193 66 HZ PHE 8 HZ PHE 8 4.928 -7.522 6.098 67 H SER 9 H SER 9 6.145 -0.963 8.901 68 HA SER 9 HA SER 9 4.482 -2.762 10.259 69 HB2 SER 9 HB2 SER 9 6.441 -1.742 11.299 70 HB3 SER 9 HB3 SER 9 5.675 -0.158 11.232 71 HG SER 9 HG SER 9 5.385 -2.136 13.041 72 H LYS 10 H LYS 10 4.007 0.738 9.687 73 HA LYS 10 HA LYS 10 1.499 0.883 11.010 74 HB2 LYS 10 HB2 LYS 10 2.778 2.655 8.928 75 HB3 LYS 10 HB3 LYS 10 1.247 3.024 9.718 76 HG2 LYS 10 HG2 LYS 10 2.351 2.935 11.921 77 HG3 LYS 10 HG3 LYS 10 3.885 2.558 11.137 78 HD2 LYS 10 HD2 LYS 10 3.832 4.705 9.949 79 HD3 LYS 10 HD3 LYS 10 2.269 5.082 10.675 80 HE2 LYS 10 HE2 LYS 10 4.043 6.209 11.927 81 HE3 LYS 10 HE3 LYS 10 3.318 4.954 12.930 82 HZ1 LYS 10 HZ1 LYS 10 5.905 5.162 12.667 83 HZ2 LYS 10 HZ2 LYS 10 5.621 4.235 11.272 84 HZ3 LYS 10 HZ3 LYS 10 5.156 3.646 12.797 85 H VAL 11 H VAL 11 2.403 0.335 7.655 86 HA VAL 11 HA VAL 11 -0.161 0.482 6.506 87 HB VAL 11 HB VAL 11 2.361 -0.979 5.680 88 HG11 VAL 11 HG11 VAL 11 -0.229 -0.647 4.122 89 HG12 VAL 11 HG12 VAL 11 0.490 -2.171 4.643 90 HG13 VAL 11 HG13 VAL 11 1.298 -1.188 3.424 91 HG21 VAL 11 HG21 VAL 11 2.736 0.871 4.263 92 HG22 VAL 11 HG22 VAL 11 2.119 1.615 5.737 93 HG23 VAL 11 HG23 VAL 11 1.056 1.400 4.349 94 H LYS 12 H LYS 12 1.673 -2.234 7.850 95 HA LYS 12 HA LYS 12 -0.257 -4.236 7.338 96 HB2 LYS 12 HB2 LYS 12 2.138 -4.658 7.984 97 HB3 LYS 12 HB3 LYS 12 1.712 -4.180 9.626 98 HG2 LYS 12 HG2 LYS 12 -0.234 -6.121 8.781 99 HG3 LYS 12 HG3 LYS 12 1.344 -6.745 8.328 100 HD2 LYS 12 HD2 LYS 12 2.123 -6.745 10.557 101 HD3 LYS 12 HD3 LYS 12 0.860 -5.641 11.094 102 HE2 LYS 12 HE2 LYS 12 -0.613 -7.333 11.463 103 HE3 LYS 12 HE3 LYS 12 -0.206 -8.162 9.956 104 HZ1 LYS 12 HZ1 LYS 12 0.399 -9.346 12.085 105 HZ2 LYS 12 HZ2 LYS 12 1.593 -8.156 12.321 106 HZ3 LYS 12 HZ3 LYS 12 1.656 -9.166 10.959 107 H SER 13 H SER 13 0.212 -2.001 10.045 108 HA SER 13 HA SER 13 -1.542 -3.171 11.870 109 HB2 SER 13 HB2 SER 13 -0.008 -1.369 12.472 110 HB3 SER 13 HB3 SER 13 -0.907 -0.243 11.459 111 HG SER 13 HG SER 13 -1.819 0.049 13.388 112 H ILE 14 H ILE 14 -2.279 -0.796 9.286 113 HA ILE 14 HA ILE 14 -5.021 -0.521 10.076 114 HB ILE 14 HB ILE 14 -3.720 0.107 7.411 115 HG12 ILE 14 HG12 ILE 14 -2.570 1.332 9.194 116 HG13 ILE 14 HG13 ILE 14 -3.568 2.448 8.272 117 HG21 ILE 14 HG21 ILE 14 -6.164 1.457 8.549 118 HG22 ILE 14 HG22 ILE 14 -6.306 -0.021 7.606 119 HG23 ILE 14 HG23 ILE 14 -5.599 1.420 6.882 120 HD11 ILE 14 HD11 ILE 14 -4.227 3.128 10.364 121 HD12 ILE 14 HD12 ILE 14 -3.805 1.591 11.111 122 HD13 ILE 14 HD13 ILE 14 -5.328 1.756 10.241 123 H ILE 15 H ILE 15 -3.404 -2.277 7.422 124 HA ILE 15 HA ILE 15 -5.711 -3.410 6.304 125 HB ILE 15 HB ILE 15 -2.814 -4.305 6.259 126 HG12 ILE 15 HG12 ILE 15 -4.455 -2.931 4.112 127 HG13 ILE 15 HG13 ILE 15 -3.527 -2.030 5.306 128 HG21 ILE 15 HG21 ILE 15 -3.412 -5.660 4.291 129 HG22 ILE 15 HG22 ILE 15 -5.102 -5.184 4.454 130 HG23 ILE 15 HG23 ILE 15 -4.350 -6.197 5.684 131 HD11 ILE 15 HD11 ILE 15 -2.277 -4.176 3.581 132 HD12 ILE 15 HD12 ILE 15 -1.458 -2.941 4.535 133 HD13 ILE 15 HD13 ILE 15 -2.347 -2.486 3.081 134 H SER 16 H SER 16 -3.444 -4.772 8.680 135 HA SER 16 HA SER 16 -4.688 -7.293 8.902 136 HB2 SER 16 HB2 SER 16 -2.812 -5.820 10.739 137 HB3 SER 16 HB3 SER 16 -3.331 -7.482 11.001 138 HG SER 16 HG SER 16 -2.075 -8.105 9.431 139 H GLU 17 H GLU 17 -5.115 -4.320 10.785 140 HA GLU 17 HA GLU 17 -6.737 -5.587 12.783 141 HB2 GLU 17 HB2 GLU 17 -7.069 -3.401 13.708 142 HB3 GLU 17 HB3 GLU 17 -5.397 -3.503 13.164 143 HG2 GLU 17 HG2 GLU 17 -6.108 -2.358 11.031 144 HG3 GLU 17 HG3 GLU 17 -7.692 -2.123 11.746 145 H LYS 18 H LYS 18 -7.420 -3.945 9.751 146 HA LYS 18 HA LYS 18 -10.283 -3.901 10.263 147 HB2 LYS 18 HB2 LYS 18 -8.617 -3.049 7.895 148 HB3 LYS 18 HB3 LYS 18 -10.379 -2.957 7.928 149 HG2 LYS 18 HG2 LYS 18 -10.268 -1.527 9.939 150 HG3 LYS 18 HG3 LYS 18 -8.507 -1.609 9.895 151 HD2 LYS 18 HD2 LYS 18 -8.481 -0.530 7.696 152 HD3 LYS 18 HD3 LYS 18 -10.245 -0.502 7.670 153 HE2 LYS 18 HE2 LYS 18 -9.391 1.688 8.365 154 HE3 LYS 18 HE3 LYS 18 -10.234 0.917 9.708 155 HZ1 LYS 18 HZ1 LYS 18 -8.364 0.770 10.897 156 HZ2 LYS 18 HZ2 LYS 18 -7.741 1.936 9.829 157 HZ3 LYS 18 HZ3 LYS 18 -7.422 0.288 9.571 158 H LEU 19 H LEU 19 -8.003 -6.004 8.696 159 HA LEU 19 HA LEU 19 -10.210 -7.459 7.369 160 HB2 LEU 19 HB2 LEU 19 -7.226 -7.648 6.897 161 HB3 LEU 19 HB3 LEU 19 -8.458 -8.558 6.030 162 HG LEU 19 HG LEU 19 -8.293 -5.525 6.082 163 HD11 LEU 19 HD11 LEU 19 -7.297 -5.635 3.916 164 HD12 LEU 19 HD12 LEU 19 -7.611 -7.365 3.775 165 HD13 LEU 19 HD13 LEU 19 -6.393 -6.780 4.905 166 HD21 LEU 19 HD21 LEU 19 -9.841 -5.801 4.078 167 HD22 LEU 19 HD22 LEU 19 -10.559 -6.244 5.627 168 HD23 LEU 19 HD23 LEU 19 -9.997 -7.500 4.523 169 H GLY 20 H GLY 20 -7.973 -7.665 9.993 170 HA2 GLY 20 HA2 GLY 20 -7.714 -9.284 11.627 171 HA3 GLY 20 HA3 GLY 20 -9.065 -10.155 10.903 172 H VAL 21 H VAL 21 -6.037 -9.142 9.383 173 HA VAL 21 HA VAL 21 -5.307 -11.996 8.979 174 HB VAL 21 HB VAL 21 -4.891 -9.765 6.968 175 HG11 VAL 21 HG11 VAL 21 -4.384 -12.749 6.946 176 HG12 VAL 21 HG12 VAL 21 -3.218 -11.452 6.703 177 HG13 VAL 21 HG13 VAL 21 -4.434 -11.787 5.471 178 HG21 VAL 21 HG21 VAL 21 -7.274 -10.253 7.070 179 HG22 VAL 21 HG22 VAL 21 -6.964 -11.989 7.071 180 HG23 VAL 21 HG23 VAL 21 -6.623 -11.034 5.629 181 H ASP 22 H ASP 22 -3.130 -12.512 9.133 182 HA ASP 22 HA ASP 22 -1.472 -10.502 10.430 183 HB2 ASP 22 HB2 ASP 22 -1.471 -13.462 10.256 184 HB3 ASP 22 HB3 ASP 22 0.104 -12.686 10.416 185 H GLU 23 H GLU 23 0.534 -9.947 9.824 186 HA GLU 23 HA GLU 23 1.008 -9.095 7.306 187 HB2 GLU 23 HB2 GLU 23 3.335 -8.773 7.893 188 HB3 GLU 23 HB3 GLU 23 2.318 -8.419 9.282 189 HG2 GLU 23 HG2 GLU 23 2.721 -10.893 9.941 190 HG3 GLU 23 HG3 GLU 23 4.050 -10.817 8.785 191 H SER 24 H SER 24 1.303 -12.446 8.232 192 HA SER 24 HA SER 24 3.263 -13.333 6.437 193 HB2 SER 24 HB2 SER 24 0.721 -14.697 7.364 194 HB3 SER 24 HB3 SER 24 2.015 -15.506 6.484 195 HG SER 24 HG SER 24 1.869 -14.718 9.110 196 H GLN 25 H GLN 25 -0.181 -12.640 5.998 197 HA GLN 25 HA GLN 25 -0.286 -13.403 3.218 198 HB2 GLN 25 HB2 GLN 25 -2.090 -11.759 4.992 199 HB3 GLN 25 HB3 GLN 25 -2.415 -12.010 3.280 200 HG2 GLN 25 HG2 GLN 25 -1.957 -14.285 5.211 201 HG3 GLN 25 HG3 GLN 25 -3.560 -13.648 4.847 202 HE21 GLN 25 HE21 GLN 25 -3.650 -13.271 2.155 203 HE22 GLN 25 HE22 GLN 25 -3.254 -14.698 1.316 204 H VAL 26 H VAL 26 0.785 -10.640 4.987 205 HA VAL 26 HA VAL 26 0.549 -8.759 2.820 206 HB VAL 26 HB VAL 26 1.908 -8.533 5.515 207 HG11 VAL 26 HG11 VAL 26 1.123 -6.282 3.652 208 HG12 VAL 26 HG12 VAL 26 2.753 -6.954 3.703 209 HG13 VAL 26 HG13 VAL 26 2.075 -6.177 5.132 210 HG21 VAL 26 HG21 VAL 26 -0.765 -7.501 4.510 211 HG22 VAL 26 HG22 VAL 26 -0.084 -7.194 6.109 212 HG23 VAL 26 HG23 VAL 26 -0.541 -8.833 5.645 213 H THR 27 H THR 27 1.940 -8.593 1.203 214 HA THR 27 HA THR 27 4.805 -9.029 1.663 215 HB THR 27 HB THR 27 3.531 -10.330 -0.740 216 HG1 THR 27 HG1 THR 27 4.140 -11.540 1.734 217 HG21 THR 27 HG21 THR 27 5.616 -11.613 -0.743 218 HG22 THR 27 HG22 THR 27 6.126 -10.814 0.744 219 HG23 THR 27 HG23 THR 27 5.967 -9.887 -0.746 220 H GLU 28 H GLU 28 6.109 -8.014 0.102 221 HA GLU 28 HA GLU 28 5.121 -5.612 -0.970 222 HB2 GLU 28 HB2 GLU 28 7.593 -7.230 -1.615 223 HB3 GLU 28 HB3 GLU 28 7.273 -5.638 -2.305 224 HG2 GLU 28 HG2 GLU 28 7.153 -4.667 -0.050 225 HG3 GLU 28 HG3 GLU 28 7.439 -6.255 0.659 226 H GLU 29 H GLU 29 5.223 -8.880 -2.209 227 HA GLU 29 HA GLU 29 4.347 -7.968 -4.880 228 HB2 GLU 29 HB2 GLU 29 5.382 -10.665 -3.983 229 HB3 GLU 29 HB3 GLU 29 4.880 -10.263 -5.625 230 HG2 GLU 29 HG2 GLU 29 6.589 -8.456 -5.670 231 HG3 GLU 29 HG3 GLU 29 7.127 -8.953 -4.069 232 H ALA 30 H ALA 30 2.967 -8.979 -2.020 233 HA ALA 30 HA ALA 30 0.933 -10.720 -3.132 234 HB1 ALA 30 HB1 ALA 30 1.336 -11.260 -0.907 235 HB2 ALA 30 HB2 ALA 30 -0.091 -10.234 -0.765 236 HB3 ALA 30 HB3 ALA 30 1.508 -9.574 -0.422 237 H LYS 31 H LYS 31 -1.089 -10.171 -3.731 238 HA LYS 31 HA LYS 31 -1.666 -7.360 -4.169 239 HB2 LYS 31 HB2 LYS 31 -3.252 -9.863 -4.749 240 HB3 LYS 31 HB3 LYS 31 -3.746 -8.237 -5.215 241 HG2 LYS 31 HG2 LYS 31 -1.052 -9.322 -6.040 242 HG3 LYS 31 HG3 LYS 31 -2.500 -9.712 -6.967 243 HD2 LYS 31 HD2 LYS 31 -2.963 -7.195 -7.038 244 HD3 LYS 31 HD3 LYS 31 -1.319 -6.978 -6.439 245 HE2 LYS 31 HE2 LYS 31 -1.304 -6.842 -8.875 246 HE3 LYS 31 HE3 LYS 31 -0.479 -8.318 -8.373 247 HZ1 LYS 31 HZ1 LYS 31 -3.342 -8.586 -8.782 248 HZ2 LYS 31 HZ2 LYS 31 -2.069 -9.609 -9.255 249 HZ3 LYS 31 HZ3 LYS 31 -2.447 -8.240 -10.184 250 H LEU 32 H LEU 32 -2.940 -6.119 -2.929 251 HA LEU 32 HA LEU 32 -3.793 -6.984 -0.380 252 HB2 LEU 32 HB2 LEU 32 -4.433 -4.544 -2.032 253 HB3 LEU 32 HB3 LEU 32 -5.066 -4.779 -0.403 254 HG LEU 32 HG LEU 32 -2.100 -4.976 -1.007 255 HD11 LEU 32 HD11 LEU 32 -3.568 -2.529 0.027 256 HD12 LEU 32 HD12 LEU 32 -3.092 -2.720 -1.659 257 HD13 LEU 32 HD13 LEU 32 -1.862 -2.654 -0.397 258 HD21 LEU 32 HD21 LEU 32 -3.817 -4.673 1.471 259 HD22 LEU 32 HD22 LEU 32 -2.102 -4.274 1.488 260 HD23 LEU 32 HD23 LEU 32 -2.619 -5.917 1.115 261 H ILE 33 H ILE 33 -5.530 -6.633 -3.464 262 HA ILE 33 HA ILE 33 -8.025 -7.447 -2.203 263 HB ILE 33 HB ILE 33 -8.029 -5.643 -3.875 264 HG12 ILE 33 HG12 ILE 33 -9.554 -8.023 -4.949 265 HG13 ILE 33 HG13 ILE 33 -9.998 -7.232 -3.436 266 HG21 ILE 33 HG21 ILE 33 -7.499 -7.772 -5.956 267 HG22 ILE 33 HG22 ILE 33 -6.215 -6.752 -5.303 268 HG23 ILE 33 HG23 ILE 33 -7.559 -6.023 -6.181 269 HD11 ILE 33 HD11 ILE 33 -10.176 -5.065 -4.669 270 HD12 ILE 33 HD12 ILE 33 -11.316 -6.276 -5.255 271 HD13 ILE 33 HD13 ILE 33 -9.853 -5.928 -6.173 272 H ASP 34 H ASP 34 -5.843 -8.763 -4.709 273 HA ASP 34 HA ASP 34 -7.428 -11.157 -5.009 274 HB2 ASP 34 HB2 ASP 34 -4.686 -10.485 -6.081 275 HB3 ASP 34 HB3 ASP 34 -5.667 -11.862 -6.569 276 H ASP 35 H ASP 35 -4.440 -10.342 -3.299 277 HA ASP 35 HA ASP 35 -4.084 -13.160 -2.534 278 HB2 ASP 35 HB2 ASP 35 -2.210 -11.676 -3.455 279 HB3 ASP 35 HB3 ASP 35 -2.211 -10.919 -1.864 280 H LEU 36 H LEU 36 -5.266 -10.206 -1.202 281 HA LEU 36 HA LEU 36 -5.157 -11.406 1.505 282 HB2 LEU 36 HB2 LEU 36 -4.659 -8.653 0.551 283 HB3 LEU 36 HB3 LEU 36 -5.640 -8.767 2.005 284 HG LEU 36 HG LEU 36 -3.033 -10.279 1.734 285 HD11 LEU 36 HD11 LEU 36 -2.381 -7.992 1.385 286 HD12 LEU 36 HD12 LEU 36 -2.050 -8.354 3.078 287 HD13 LEU 36 HD13 LEU 36 -3.482 -7.422 2.638 288 HD21 LEU 36 HD21 LEU 36 -4.513 -10.960 3.548 289 HD22 LEU 36 HD22 LEU 36 -4.700 -9.285 4.067 290 HD23 LEU 36 HD23 LEU 36 -3.139 -10.090 4.229 291 H GLY 37 H GLY 37 -7.189 -10.254 -1.049 292 HA2 GLY 37 HA2 GLY 37 -9.480 -10.633 -1.257 293 HA3 GLY 37 HA3 GLY 37 -9.537 -11.101 0.434 294 H ALA 38 H ALA 38 -8.017 -8.076 -0.338 295 HA ALA 38 HA ALA 38 -10.136 -6.646 1.070 296 HB1 ALA 38 HB1 ALA 38 -7.535 -6.319 1.298 297 HB2 ALA 38 HB2 ALA 38 -8.607 -4.920 1.358 298 HB3 ALA 38 HB3 ALA 38 -7.739 -5.303 -0.130 299 H ASP 39 H ASP 39 -11.838 -6.255 -0.140 300 HA ASP 39 HA ASP 39 -11.907 -5.930 -2.928 301 HB2 ASP 39 HB2 ASP 39 -13.867 -6.541 -1.509 302 HB3 ASP 39 HB3 ASP 39 -13.925 -4.877 -0.931 303 H SER 40 H SER 40 -12.484 -4.026 -4.166 304 HA SER 40 HA SER 40 -10.725 -1.934 -3.968 305 HB2 SER 40 HB2 SER 40 -12.189 -0.690 -5.493 306 HB3 SER 40 HB3 SER 40 -12.029 -2.377 -5.982 307 HG SER 40 HG SER 40 -14.240 -1.178 -5.685 308 H LEU 41 H LEU 41 -14.000 -2.045 -2.558 309 HA LEU 41 HA LEU 41 -14.060 0.651 -1.678 310 HB2 LEU 41 HB2 LEU 41 -16.073 -0.801 -1.718 311 HB3 LEU 41 HB3 LEU 41 -15.378 -1.796 -0.444 312 HG LEU 41 HG LEU 41 -15.336 0.231 1.042 313 HD11 LEU 41 HD11 LEU 41 -16.810 1.454 -1.308 314 HD12 LEU 41 HD12 LEU 41 -15.320 2.030 -0.561 315 HD13 LEU 41 HD13 LEU 41 -16.845 2.137 0.318 316 HD21 LEU 41 HD21 LEU 41 -17.183 -1.396 1.150 317 HD22 LEU 41 HD22 LEU 41 -18.038 -0.516 -0.116 318 HD23 LEU 41 HD23 LEU 41 -17.774 0.237 1.455 319 H ASP 42 H ASP 42 -13.065 -2.349 -0.111 320 HA ASP 42 HA ASP 42 -12.227 -1.274 2.350 321 HB2 ASP 42 HB2 ASP 42 -11.324 -3.734 0.843 322 HB3 ASP 42 HB3 ASP 42 -10.775 -3.343 2.472 323 H LEU 43 H LEU 43 -10.493 -1.711 -0.721 324 HA LEU 43 HA LEU 43 -7.920 -1.027 0.157 325 HB2 LEU 43 HB2 LEU 43 -9.252 -0.718 -2.540 326 HB3 LEU 43 HB3 LEU 43 -7.548 -0.373 -2.261 327 HG LEU 43 HG LEU 43 -8.837 -3.042 -1.616 328 HD11 LEU 43 HD11 LEU 43 -7.589 -1.985 -4.151 329 HD12 LEU 43 HD12 LEU 43 -8.992 -3.032 -3.950 330 HD13 LEU 43 HD13 LEU 43 -7.374 -3.684 -3.733 331 HD21 LEU 43 HD21 LEU 43 -6.809 -2.734 -0.366 332 HD22 LEU 43 HD22 LEU 43 -5.980 -2.031 -1.756 333 HD23 LEU 43 HD23 LEU 43 -6.387 -3.744 -1.746 334 H VAL 44 H VAL 44 -10.596 0.980 -1.044 335 HA VAL 44 HA VAL 44 -9.181 3.417 -1.145 336 HB VAL 44 HB VAL 44 -12.124 2.829 -0.695 337 HG11 VAL 44 HG11 VAL 44 -11.741 5.073 0.130 338 HG12 VAL 44 HG12 VAL 44 -12.461 5.209 -1.474 339 HG13 VAL 44 HG13 VAL 44 -10.730 5.464 -1.261 340 HG21 VAL 44 HG21 VAL 44 -12.355 3.209 -3.044 341 HG22 VAL 44 HG22 VAL 44 -10.971 2.133 -2.861 342 HG23 VAL 44 HG23 VAL 44 -10.717 3.849 -3.171 343 H ASP 45 H ASP 45 -11.089 1.904 1.441 344 HA ASP 45 HA ASP 45 -10.797 3.958 3.352 345 HB2 ASP 45 HB2 ASP 45 -11.319 0.997 3.626 346 HB3 ASP 45 HB3 ASP 45 -11.305 2.096 5.001 347 H LEU 46 H LEU 46 -8.823 1.083 2.661 348 HA LEU 46 HA LEU 46 -7.084 1.286 4.892 349 HB2 LEU 46 HB2 LEU 46 -6.702 0.090 2.138 350 HB3 LEU 46 HB3 LEU 46 -5.517 -0.062 3.434 351 HG LEU 46 HG LEU 46 -8.412 -0.886 3.765 352 HD11 LEU 46 HD11 LEU 46 -6.018 -2.466 2.806 353 HD12 LEU 46 HD12 LEU 46 -7.588 -2.300 2.025 354 HD13 LEU 46 HD13 LEU 46 -7.439 -3.239 3.510 355 HD21 LEU 46 HD21 LEU 46 -7.331 -2.301 5.587 356 HD22 LEU 46 HD22 LEU 46 -7.318 -0.562 5.873 357 HD23 LEU 46 HD23 LEU 46 -5.855 -1.373 5.315 358 H VAL 47 H VAL 47 -6.637 2.411 1.513 359 HA VAL 47 HA VAL 47 -4.172 3.661 2.005 360 HB VAL 47 HB VAL 47 -4.931 3.128 -0.274 361 HG11 VAL 47 HG11 VAL 47 -6.585 4.628 -1.377 362 HG12 VAL 47 HG12 VAL 47 -6.884 5.414 0.173 363 HG13 VAL 47 HG13 VAL 47 -7.306 3.718 -0.051 364 HG21 VAL 47 HG21 VAL 47 -3.192 4.833 0.027 365 HG22 VAL 47 HG22 VAL 47 -4.424 6.084 0.193 366 HG23 VAL 47 HG23 VAL 47 -4.222 5.246 -1.345 367 H MET 48 H MET 48 -7.510 4.866 2.292 368 HA MET 48 HA MET 48 -6.956 7.575 2.719 369 HB2 MET 48 HB2 MET 48 -9.233 6.593 2.400 370 HB3 MET 48 HB3 MET 48 -9.133 5.908 4.020 371 HG2 MET 48 HG2 MET 48 -10.368 7.992 4.152 372 HG3 MET 48 HG3 MET 48 -8.797 8.233 4.915 373 HE1 MET 48 HE1 MET 48 -10.366 10.444 4.450 374 HE2 MET 48 HE2 MET 48 -9.743 11.610 3.283 375 HE3 MET 48 HE3 MET 48 -8.696 11.017 4.571 376 H ASP 49 H ASP 49 -7.119 4.851 5.007 377 HA ASP 49 HA ASP 49 -6.702 6.242 7.384 378 HB2 ASP 49 HB2 ASP 49 -7.143 3.733 7.100 379 HB3 ASP 49 HB3 ASP 49 -5.405 3.560 6.846 380 H PHE 50 H PHE 50 -4.357 5.129 4.975 381 HA PHE 50 HA PHE 50 -2.024 6.044 6.420 382 HB2 PHE 50 HB2 PHE 50 -2.210 5.659 3.425 383 HB3 PHE 50 HB3 PHE 50 -0.773 5.583 4.429 384 HD1 PHE 50 HD1 PHE 50 -2.006 3.535 2.399 385 HD2 PHE 50 HD2 PHE 50 -2.054 3.799 6.691 386 HE1 PHE 50 HE1 PHE 50 -2.321 1.090 2.546 387 HE2 PHE 50 HE2 PHE 50 -2.369 1.347 6.827 388 HZ PHE 50 HZ PHE 50 -2.512 -0.001 4.752 389 H GLU 51 H GLU 51 -4.235 7.404 4.066 390 HA GLU 51 HA GLU 51 -2.819 9.634 3.157 391 HB2 GLU 51 HB2 GLU 51 -5.019 8.761 2.280 392 HB3 GLU 51 HB3 GLU 51 -5.800 9.492 3.676 393 HG2 GLU 51 HG2 GLU 51 -4.837 11.704 2.986 394 HG3 GLU 51 HG3 GLU 51 -4.259 10.924 1.513 395 H SER 52 H SER 52 -5.024 9.327 5.949 396 HA SER 52 HA SER 52 -4.653 12.039 6.818 397 HB2 SER 52 HB2 SER 52 -5.824 9.626 8.212 398 HB3 SER 52 HB3 SER 52 -5.854 11.263 8.860 399 HG SER 52 HG SER 52 -7.321 11.810 7.427 400 H GLU 53 H GLU 53 -3.411 8.900 7.855 401 HA GLU 53 HA GLU 53 -2.010 9.750 10.136 402 HB2 GLU 53 HB2 GLU 53 -1.528 7.429 8.271 403 HB3 GLU 53 HB3 GLU 53 -0.592 7.681 9.744 404 HG2 GLU 53 HG2 GLU 53 -2.581 7.551 11.111 405 HG3 GLU 53 HG3 GLU 53 -3.618 7.529 9.692 406 H PHE 54 H PHE 54 -0.797 9.385 6.785 407 HA PHE 54 HA PHE 54 1.783 10.456 7.551 408 HB2 PHE 54 HB2 PHE 54 0.624 9.566 4.905 409 HB3 PHE 54 HB3 PHE 54 2.246 10.243 5.056 410 HD1 PHE 54 HD1 PHE 54 0.216 7.279 5.443 411 HD2 PHE 54 HD2 PHE 54 3.855 9.159 6.739 412 HE1 PHE 54 HE1 PHE 54 1.059 5.093 6.244 413 HE2 PHE 54 HE2 PHE 54 4.701 6.970 7.535 414 HZ PHE 54 HZ PHE 54 3.303 4.936 7.289 415 H GLY 55 H GLY 55 -1.123 11.964 6.937 416 HA2 GLY 55 HA2 GLY 55 -1.687 14.159 6.533 417 HA3 GLY 55 HA3 GLY 55 -0.009 14.551 6.890 418 H VAL 56 H VAL 56 -1.055 12.409 4.303 419 HA VAL 56 HA VAL 56 -0.358 14.463 2.301 420 HB VAL 56 HB VAL 56 0.819 12.721 0.973 421 HG11 VAL 56 HG11 VAL 56 2.857 12.749 2.266 422 HG12 VAL 56 HG12 VAL 56 1.956 12.995 3.762 423 HG13 VAL 56 HG13 VAL 56 2.012 14.271 2.546 424 HG21 VAL 56 HG21 VAL 56 1.544 10.649 2.257 425 HG22 VAL 56 HG22 VAL 56 -0.157 10.680 1.793 426 HG23 VAL 56 HG23 VAL 56 0.311 11.054 3.452 427 H LYS 57 H LYS 57 -1.431 14.299 0.338 428 HA LYS 57 HA LYS 57 -3.923 12.745 0.423 429 HB2 LYS 57 HB2 LYS 57 -4.035 15.194 -0.016 430 HB3 LYS 57 HB3 LYS 57 -3.068 14.959 -1.468 431 HG2 LYS 57 HG2 LYS 57 -5.379 15.059 -2.155 432 HG3 LYS 57 HG3 LYS 57 -4.863 13.380 -2.301 433 HD2 LYS 57 HD2 LYS 57 -5.923 12.829 -0.170 434 HD3 LYS 57 HD3 LYS 57 -6.361 14.519 0.081 435 HE2 LYS 57 HE2 LYS 57 -7.761 14.457 -1.950 436 HE3 LYS 57 HE3 LYS 57 -7.322 12.767 -2.201 437 HZ1 LYS 57 HZ1 LYS 57 -8.177 12.591 0.264 438 HZ2 LYS 57 HZ2 LYS 57 -9.247 12.503 -1.052 439 HZ3 LYS 57 HZ3 LYS 57 -9.080 13.955 -0.188 440 H VAL 58 H VAL 58 -4.497 11.240 -1.177 441 HA VAL 58 HA VAL 58 -2.262 10.396 -2.914 442 HB VAL 58 HB VAL 58 -3.417 8.208 -3.049 443 HG11 VAL 58 HG11 VAL 58 -3.039 9.025 -0.154 444 HG12 VAL 58 HG12 VAL 58 -1.684 8.854 -1.267 445 HG13 VAL 58 HG13 VAL 58 -2.701 7.462 -0.897 446 HG21 VAL 58 HG21 VAL 58 -5.291 7.714 -1.569 447 HG22 VAL 58 HG22 VAL 58 -5.722 9.103 -2.566 448 HG23 VAL 58 HG23 VAL 58 -5.236 9.340 -0.887 449 H ASP 59 H ASP 59 -2.495 10.065 -4.995 450 HA ASP 59 HA ASP 59 -4.606 11.458 -6.398 451 HB2 ASP 59 HB2 ASP 59 -2.163 11.458 -7.069 452 HB3 ASP 59 HB3 ASP 59 -2.380 9.785 -7.547 453 H ASP 60 H ASP 60 -6.299 10.603 -7.498 454 HA ASP 60 HA ASP 60 -7.263 8.011 -6.974 455 HB2 ASP 60 HB2 ASP 60 -8.606 9.914 -7.960 456 HB3 ASP 60 HB3 ASP 60 -7.804 9.610 -9.496 457 H ALA 61 H ALA 61 -5.170 9.297 -9.441 458 HA ALA 61 HA ALA 61 -4.921 6.991 -11.087 459 HB1 ALA 61 HB1 ALA 61 -3.340 8.183 -12.239 460 HB2 ALA 61 HB2 ALA 61 -2.600 8.817 -10.774 461 HB3 ALA 61 HB3 ALA 61 -4.094 9.525 -11.380 462 H ASP 62 H ASP 62 -3.205 8.150 -8.157 463 HA ASP 62 HA ASP 62 -1.185 6.179 -8.130 464 HB2 ASP 62 HB2 ASP 62 -2.470 7.687 -5.842 465 HB3 ASP 62 HB3 ASP 62 -1.158 6.551 -5.618 466 H LEU 63 H LEU 63 -4.512 6.210 -6.861 467 HA LEU 63 HA LEU 63 -4.461 3.798 -5.441 468 HB2 LEU 63 HB2 LEU 63 -6.426 5.318 -5.476 469 HB3 LEU 63 HB3 LEU 63 -6.733 4.877 -7.151 470 HG LEU 63 HG LEU 63 -7.018 2.492 -6.423 471 HD11 LEU 63 HD11 LEU 63 -6.730 3.742 -3.676 472 HD12 LEU 63 HD12 LEU 63 -5.770 2.433 -4.364 473 HD13 LEU 63 HD13 LEU 63 -7.461 2.160 -3.945 474 HD21 LEU 63 HD21 LEU 63 -8.968 3.951 -6.730 475 HD22 LEU 63 HD22 LEU 63 -8.807 4.538 -5.074 476 HD23 LEU 63 HD23 LEU 63 -9.238 2.854 -5.374 477 H GLU 64 H GLU 64 -5.061 4.373 -8.928 478 HA GLU 64 HA GLU 64 -5.357 1.669 -9.666 479 HB2 GLU 64 HB2 GLU 64 -5.968 3.627 -11.090 480 HB3 GLU 64 HB3 GLU 64 -4.252 3.954 -11.322 481 HG2 GLU 64 HG2 GLU 64 -5.091 2.683 -13.230 482 HG3 GLU 64 HG3 GLU 64 -3.978 1.682 -12.306 483 H LYS 65 H LYS 65 -2.553 3.665 -9.026 484 HA LYS 65 HA LYS 65 -0.618 1.852 -10.191 485 HB2 LYS 65 HB2 LYS 65 -0.250 4.237 -8.358 486 HB3 LYS 65 HB3 LYS 65 1.052 3.366 -9.160 487 HG2 LYS 65 HG2 LYS 65 0.273 4.019 -11.334 488 HG3 LYS 65 HG3 LYS 65 -1.233 4.642 -10.678 489 HD2 LYS 65 HD2 LYS 65 0.505 6.174 -9.258 490 HD3 LYS 65 HD3 LYS 65 1.497 5.864 -10.675 491 HE2 LYS 65 HE2 LYS 65 0.197 7.165 -12.039 492 HE3 LYS 65 HE3 LYS 65 -1.307 6.700 -11.243 493 HZ1 LYS 65 HZ1 LYS 65 -0.751 9.037 -10.825 494 HZ2 LYS 65 HZ2 LYS 65 0.725 8.560 -10.121 495 HZ3 LYS 65 HZ3 LYS 65 -0.744 8.127 -9.392 496 H ILE 66 H ILE 66 -2.415 1.796 -7.319 497 HA ILE 66 HA ILE 66 -0.311 0.321 -5.835 498 HB ILE 66 HB ILE 66 -2.954 1.416 -4.835 499 HG12 ILE 66 HG12 ILE 66 -1.408 3.242 -5.338 500 HG13 ILE 66 HG13 ILE 66 -1.601 3.087 -3.610 501 HG21 ILE 66 HG21 ILE 66 -0.745 0.557 -2.990 502 HG22 ILE 66 HG22 ILE 66 -1.808 -0.667 -3.671 503 HG23 ILE 66 HG23 ILE 66 -2.483 0.640 -2.715 504 HD11 ILE 66 HD11 ILE 66 0.715 3.400 -3.901 505 HD12 ILE 66 HD12 ILE 66 0.774 2.350 -5.316 506 HD13 ILE 66 HD13 ILE 66 0.559 1.654 -3.711 507 H SER 67 H SER 67 -0.351 -1.780 -6.412 508 HA SER 67 HA SER 67 -2.960 -3.171 -6.483 509 HB2 SER 67 HB2 SER 67 -0.293 -3.924 -7.701 510 HB3 SER 67 HB3 SER 67 -1.724 -4.951 -7.723 511 HG SER 67 HG SER 67 -2.569 -3.723 -9.218 512 H THR 68 H THR 68 0.443 -3.883 -5.650 513 HA THR 68 HA THR 68 -0.447 -5.690 -3.523 514 HB THR 68 HB THR 68 1.925 -6.432 -3.486 515 HG1 THR 68 HG1 THR 68 3.269 -5.587 -5.146 516 HG21 THR 68 HG21 THR 68 0.297 -7.507 -5.019 517 HG22 THR 68 HG22 THR 68 1.925 -7.500 -5.694 518 HG23 THR 68 HG23 THR 68 0.725 -6.343 -6.272 519 H VAL 69 H VAL 69 0.953 -5.723 -1.537 520 HA VAL 69 HA VAL 69 0.765 -3.275 -0.140 521 HB VAL 69 HB VAL 69 2.508 -5.659 0.540 522 HG11 VAL 69 HG11 VAL 69 1.306 -3.709 2.498 523 HG12 VAL 69 HG12 VAL 69 2.874 -3.407 1.757 524 HG13 VAL 69 HG13 VAL 69 2.634 -4.841 2.742 525 HG21 VAL 69 HG21 VAL 69 -0.220 -5.124 1.703 526 HG22 VAL 69 HG22 VAL 69 0.678 -6.638 1.644 527 HG23 VAL 69 HG23 VAL 69 -0.064 -5.999 0.181 528 H GLY 70 H GLY 70 3.304 -4.706 -2.095 529 HA2 GLY 70 HA2 GLY 70 5.527 -3.208 -1.227 530 HA3 GLY 70 HA3 GLY 70 5.320 -3.868 -2.850 531 H ASP 71 H ASP 71 2.968 -2.494 -3.569 532 HA ASP 71 HA ASP 71 4.010 -0.032 -4.498 533 HB2 ASP 71 HB2 ASP 71 1.194 -1.127 -4.405 534 HB3 ASP 71 HB3 ASP 71 1.620 0.401 -5.162 535 H ILE 72 H ILE 72 1.844 -0.917 -1.808 536 HA ILE 72 HA ILE 72 1.171 1.723 -0.978 537 HB ILE 72 HB ILE 72 1.341 -0.916 0.502 538 HG12 ILE 72 HG12 ILE 72 -0.436 -0.670 -1.215 539 HG13 ILE 72 HG13 ILE 72 -1.097 -0.857 0.402 540 HG21 ILE 72 HG21 ILE 72 1.648 0.562 2.306 541 HG22 ILE 72 HG22 ILE 72 -0.099 0.328 2.273 542 HG23 ILE 72 HG23 ILE 72 0.606 1.796 1.599 543 HD11 ILE 72 HD11 ILE 72 -0.911 1.695 -1.233 544 HD12 ILE 72 HD12 ILE 72 -1.296 1.698 0.485 545 HD13 ILE 72 HD13 ILE 72 -2.367 0.890 -0.652 546 H VAL 73 H VAL 73 3.716 -0.514 0.106 547 HA VAL 73 HA VAL 73 4.918 1.164 1.998 548 HB VAL 73 HB VAL 73 6.025 -1.126 0.359 549 HG11 VAL 73 HG11 VAL 73 7.762 -1.265 2.209 550 HG12 VAL 73 HG12 VAL 73 7.250 0.345 2.715 551 HG13 VAL 73 HG13 VAL 73 7.959 0.106 1.118 552 HG21 VAL 73 HG21 VAL 73 5.159 -1.001 3.259 553 HG22 VAL 73 HG22 VAL 73 5.582 -2.442 2.335 554 HG23 VAL 73 HG23 VAL 73 4.116 -1.544 1.946 555 H SER 74 H SER 74 5.864 0.574 -1.398 556 HA SER 74 HA SER 74 8.010 2.403 -1.436 557 HB2 SER 74 HB2 SER 74 7.876 2.207 -3.871 558 HB3 SER 74 HB3 SER 74 7.702 0.628 -3.111 559 HG SER 74 HG SER 74 5.838 2.205 -4.458 560 H TYR 75 H TYR 75 4.576 2.807 -2.073 561 HA TYR 75 HA TYR 75 4.637 5.326 -3.294 562 HB2 TYR 75 HB2 TYR 75 2.668 3.886 -3.329 563 HB3 TYR 75 HB3 TYR 75 2.492 4.048 -1.585 564 HD1 TYR 75 HD1 TYR 75 2.518 5.993 -4.776 565 HD2 TYR 75 HD2 TYR 75 1.308 5.881 -0.657 566 HE1 TYR 75 HE1 TYR 75 1.192 8.062 -5.108 567 HE2 TYR 75 HE2 TYR 75 -0.018 7.945 -0.989 568 HH TYR 75 HH TYR 75 -0.282 9.759 -2.423 569 H ILE 76 H ILE 76 4.185 4.483 0.133 570 HA ILE 76 HA ILE 76 3.934 7.153 1.017 571 HB ILE 76 HB ILE 76 4.804 4.736 2.623 572 HG12 ILE 76 HG12 ILE 76 2.050 5.936 2.178 573 HG13 ILE 76 HG13 ILE 76 2.631 4.513 1.356 574 HG21 ILE 76 HG21 ILE 76 5.228 6.889 3.765 575 HG22 ILE 76 HG22 ILE 76 3.850 6.084 4.511 576 HG23 ILE 76 HG23 ILE 76 3.590 7.423 3.399 577 HD11 ILE 76 HD11 ILE 76 1.180 4.192 3.504 578 HD12 ILE 76 HD12 ILE 76 2.668 4.588 4.362 579 HD13 ILE 76 HD13 ILE 76 2.617 3.192 3.287 580 H GLU 77 H GLU 77 6.721 5.011 0.744 581 HA GLU 77 HA GLU 77 8.588 6.598 2.109 582 HB2 GLU 77 HB2 GLU 77 8.895 4.612 -0.130 583 HB3 GLU 77 HB3 GLU 77 10.276 5.375 0.655 584 HG2 GLU 77 HG2 GLU 77 9.479 4.508 2.838 585 HG3 GLU 77 HG3 GLU 77 8.138 3.716 2.016 586 H LYS 78 H LYS 78 7.620 6.690 -1.350 587 HA LYS 78 HA LYS 78 9.544 8.832 -1.830 588 HB2 LYS 78 HB2 LYS 78 8.927 8.660 -4.168 589 HB3 LYS 78 HB3 LYS 78 9.268 7.059 -3.524 590 HG2 LYS 78 HG2 LYS 78 6.837 6.657 -3.253 591 HG3 LYS 78 HG3 LYS 78 6.506 8.254 -3.921 592 HD2 LYS 78 HD2 LYS 78 7.637 7.619 -6.019 593 HD3 LYS 78 HD3 LYS 78 7.967 6.018 -5.358 594 HE2 LYS 78 HE2 LYS 78 5.550 5.601 -5.139 595 HE3 LYS 78 HE3 LYS 78 5.210 7.206 -5.789 596 HZ1 LYS 78 HZ1 LYS 78 6.273 4.832 -7.151 597 HZ2 LYS 78 HZ2 LYS 78 6.709 6.371 -7.723 598 HZ3 LYS 78 HZ3 LYS 78 5.074 5.917 -7.659 599 H LYS 79 H LYS 79 6.086 8.448 -1.403 600 HA LYS 79 HA LYS 79 5.202 10.893 -2.470 601 HB2 LYS 79 HB2 LYS 79 3.731 8.986 -1.762 602 HB3 LYS 79 HB3 LYS 79 4.025 9.439 -0.087 603 HG2 LYS 79 HG2 LYS 79 1.958 10.476 -0.684 604 HG3 LYS 79 HG3 LYS 79 3.159 11.768 -0.729 605 HD2 LYS 79 HD2 LYS 79 3.339 11.598 -3.144 606 HD3 LYS 79 HD3 LYS 79 2.298 10.174 -3.163 607 HE2 LYS 79 HE2 LYS 79 0.447 11.555 -2.235 608 HE3 LYS 79 HE3 LYS 79 1.489 12.974 -2.322 609 HZ1 LYS 79 HZ1 LYS 79 0.521 11.304 -4.577 610 HZ2 LYS 79 HZ2 LYS 79 1.745 12.473 -4.737 611 HZ3 LYS 79 HZ3 LYS 79 0.179 12.939 -4.276 612 H LEU 80 H LEU 80 6.324 10.042 0.801 613 HA LEU 80 HA LEU 80 5.859 12.606 1.947 614 HB2 LEU 80 HB2 LEU 80 7.650 10.305 2.745 615 HB3 LEU 80 HB3 LEU 80 7.473 11.768 3.712 616 HG LEU 80 HG LEU 80 5.098 10.091 2.847 617 HD11 LEU 80 HD11 LEU 80 5.169 9.007 5.001 618 HD12 LEU 80 HD12 LEU 80 6.514 10.019 5.526 619 HD13 LEU 80 HD13 LEU 80 6.760 8.810 4.267 620 HD21 LEU 80 HD21 LEU 80 4.491 12.335 3.517 621 HD22 LEU 80 HD22 LEU 80 5.553 12.260 4.922 622 HD23 LEU 80 HD23 LEU 80 4.097 11.266 4.864 623 H GLY 81 H GLY 81 8.500 11.242 0.091 624 HA2 GLY 81 HA2 GLY 81 9.684 13.373 -0.948 625 HA3 GLY 81 HA3 GLY 81 10.286 13.478 0.704 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 10.987 13.292 11.152 2 H2 MET 1 HT2 MET 1 9.901 12.036 11.511 3 H3 MET 1 HT3 MET 1 9.832 12.816 10.003 4 HA MET 1 HA MET 1 12.085 11.987 9.503 5 HB2 MET 1 HB2 MET 1 11.593 10.551 12.125 6 HB3 MET 1 HB3 MET 1 12.834 10.064 10.969 7 HG2 MET 1 HG2 MET 1 13.923 12.232 11.147 8 HG3 MET 1 HG3 MET 1 12.629 12.834 12.183 9 HE1 MET 1 HE1 MET 1 15.920 9.816 13.127 10 HE2 MET 1 HE2 MET 1 15.509 10.578 11.592 11 HE3 MET 1 HE3 MET 1 14.520 9.255 12.204 12 H ALA 2 H ALA 2 12.376 9.583 8.835 13 HA ALA 2 HA ALA 2 9.870 8.106 8.582 14 HB1 ALA 2 HB1 ALA 2 11.393 9.060 6.144 15 HB2 ALA 2 HB2 ALA 2 9.836 9.693 6.679 16 HB3 ALA 2 HB3 ALA 2 9.969 8.019 6.142 17 H SER 3 H SER 3 10.169 5.947 7.784 18 HA SER 3 HA SER 3 12.787 4.940 7.205 19 HB2 SER 3 HB2 SER 3 12.825 5.134 9.722 20 HB3 SER 3 HB3 SER 3 11.497 3.977 9.768 21 HG SER 3 HG SER 3 13.995 3.544 8.489 22 H ARG 4 H ARG 4 12.632 2.940 6.132 23 HA ARG 4 HA ARG 4 10.221 2.249 4.947 24 HB2 ARG 4 HB2 ARG 4 12.451 1.578 4.106 25 HB3 ARG 4 HB3 ARG 4 12.617 0.460 5.457 26 HG2 ARG 4 HG2 ARG 4 10.757 -0.871 4.676 27 HG3 ARG 4 HG3 ARG 4 10.356 0.323 3.443 28 HD2 ARG 4 HD2 ARG 4 12.473 -0.091 2.302 29 HD3 ARG 4 HD3 ARG 4 12.966 -1.211 3.570 30 HE ARG 4 HE ARG 4 11.589 -2.828 2.623 31 HH11 ARG 4 HH11 ARG 4 10.789 0.301 1.250 32 HH12 ARG 4 HH12 ARG 4 9.768 -0.374 0.025 33 HH21 ARG 4 HH21 ARG 4 10.264 -3.656 1.011 34 HH22 ARG 4 HH22 ARG 4 9.472 -2.597 -0.106 35 H GLU 5 H GLU 5 11.743 0.924 7.860 36 HA GLU 5 HA GLU 5 9.965 -1.196 8.345 37 HB2 GLU 5 HB2 GLU 5 10.641 -0.987 10.730 38 HB3 GLU 5 HB3 GLU 5 12.021 -0.991 9.635 39 HG2 GLU 5 HG2 GLU 5 11.996 1.526 9.729 40 HG3 GLU 5 HG3 GLU 5 10.767 1.427 10.979 41 H GLU 6 H GLU 6 9.811 2.213 9.259 42 HA GLU 6 HA GLU 6 7.531 2.054 10.859 43 HB2 GLU 6 HB2 GLU 6 8.723 4.328 9.273 44 HB3 GLU 6 HB3 GLU 6 7.310 4.535 10.305 45 HG2 GLU 6 HG2 GLU 6 9.927 3.365 11.282 46 HG3 GLU 6 HG3 GLU 6 9.516 5.072 11.424 47 H ILE 7 H ILE 7 7.890 2.526 7.369 48 HA ILE 7 HA ILE 7 5.140 3.105 6.854 49 HB ILE 7 HB ILE 7 7.131 1.828 4.957 50 HG12 ILE 7 HG12 ILE 7 8.129 3.905 5.793 51 HG13 ILE 7 HG13 ILE 7 7.576 4.145 4.144 52 HG21 ILE 7 HG21 ILE 7 4.834 1.718 4.162 53 HG22 ILE 7 HG22 ILE 7 5.718 2.918 3.221 54 HG23 ILE 7 HG23 ILE 7 4.606 3.435 4.488 55 HD11 ILE 7 HD11 ILE 7 6.728 6.059 5.040 56 HD12 ILE 7 HD12 ILE 7 6.576 5.373 6.659 57 HD13 ILE 7 HD13 ILE 7 5.375 4.996 5.425 58 H PHE 8 H PHE 8 7.018 0.135 6.221 59 HA PHE 8 HA PHE 8 4.942 -1.536 5.578 60 HB2 PHE 8 HB2 PHE 8 7.325 -2.111 5.345 61 HB3 PHE 8 HB3 PHE 8 7.465 -2.257 7.091 62 HD1 PHE 8 HD1 PHE 8 5.764 -3.672 4.093 63 HD2 PHE 8 HD2 PHE 8 6.806 -4.258 8.219 64 HE1 PHE 8 HE1 PHE 8 5.007 -6.029 3.951 65 HE2 PHE 8 HE2 PHE 8 6.049 -6.614 8.076 66 HZ PHE 8 HZ PHE 8 5.149 -7.499 5.941 67 H SER 9 H SER 9 6.239 -0.954 8.887 68 HA SER 9 HA SER 9 4.591 -2.798 10.216 69 HB2 SER 9 HB2 SER 9 6.527 -1.757 11.284 70 HB3 SER 9 HB3 SER 9 5.736 -0.185 11.225 71 HG SER 9 HG SER 9 4.836 -2.505 12.600 72 H LYS 10 H LYS 10 4.084 0.693 9.653 73 HA LYS 10 HA LYS 10 1.562 0.827 10.946 74 HB2 LYS 10 HB2 LYS 10 2.851 2.585 8.857 75 HB3 LYS 10 HB3 LYS 10 1.304 2.953 9.619 76 HG2 LYS 10 HG2 LYS 10 2.377 2.900 11.840 77 HG3 LYS 10 HG3 LYS 10 3.927 2.529 11.082 78 HD2 LYS 10 HD2 LYS 10 3.872 4.660 9.869 79 HD3 LYS 10 HD3 LYS 10 2.293 5.029 10.560 80 HE2 LYS 10 HE2 LYS 10 4.033 6.194 11.827 81 HE3 LYS 10 HE3 LYS 10 3.299 4.946 12.835 82 HZ1 LYS 10 HZ1 LYS 10 5.898 5.186 12.595 83 HZ2 LYS 10 HZ2 LYS 10 5.630 4.201 11.236 84 HZ3 LYS 10 HZ3 LYS 10 5.157 3.671 12.780 85 H VAL 11 H VAL 11 2.505 0.235 7.611 86 HA VAL 11 HA VAL 11 -0.042 0.343 6.431 87 HB VAL 11 HB VAL 11 2.505 -1.098 5.649 88 HG11 VAL 11 HG11 VAL 11 1.430 -1.268 3.360 89 HG12 VAL 11 HG12 VAL 11 -0.106 -0.849 4.116 90 HG13 VAL 11 HG13 VAL 11 0.721 -2.339 4.568 91 HG21 VAL 11 HG21 VAL 11 2.864 0.737 4.202 92 HG22 VAL 11 HG22 VAL 11 2.254 1.486 5.677 93 HG23 VAL 11 HG23 VAL 11 1.183 1.261 4.297 94 H LYS 12 H LYS 12 1.798 -2.328 7.864 95 HA LYS 12 HA LYS 12 -0.086 -4.366 7.351 96 HB2 LYS 12 HB2 LYS 12 2.273 -4.750 8.149 97 HB3 LYS 12 HB3 LYS 12 1.752 -4.211 9.747 98 HG2 LYS 12 HG2 LYS 12 -0.165 -6.152 8.981 99 HG3 LYS 12 HG3 LYS 12 1.373 -6.809 8.442 100 HD2 LYS 12 HD2 LYS 12 2.258 -6.876 10.621 101 HD3 LYS 12 HD3 LYS 12 1.103 -5.696 11.230 102 HE2 LYS 12 HE2 LYS 12 -0.446 -7.291 11.705 103 HE3 LYS 12 HE3 LYS 12 -0.195 -8.142 10.177 104 HZ1 LYS 12 HZ1 LYS 12 0.462 -9.403 12.211 105 HZ2 LYS 12 HZ2 LYS 12 1.715 -8.277 12.449 106 HZ3 LYS 12 HZ3 LYS 12 1.685 -9.229 11.057 107 H SER 13 H SER 13 0.227 -2.028 9.995 108 HA SER 13 HA SER 13 -1.644 -3.126 11.759 109 HB2 SER 13 HB2 SER 13 -0.143 -1.300 12.385 110 HB3 SER 13 HB3 SER 13 -0.978 -0.217 11.276 111 HG SER 13 HG SER 13 -1.835 -1.337 13.704 112 H ILE 14 H ILE 14 -2.197 -0.862 9.034 113 HA ILE 14 HA ILE 14 -4.983 -0.581 9.641 114 HB ILE 14 HB ILE 14 -3.509 -0.008 7.054 115 HG12 ILE 14 HG12 ILE 14 -2.530 1.287 8.888 116 HG13 ILE 14 HG13 ILE 14 -3.480 2.356 7.865 117 HG21 ILE 14 HG21 ILE 14 -5.385 1.412 6.480 118 HG22 ILE 14 HG22 ILE 14 -6.145 1.120 8.044 119 HG23 ILE 14 HG23 ILE 14 -6.010 -0.191 6.873 120 HD11 ILE 14 HD11 ILE 14 -5.377 1.707 9.685 121 HD12 ILE 14 HD12 ILE 14 -4.274 3.062 9.907 122 HD13 ILE 14 HD13 ILE 14 -3.943 1.520 10.692 123 H ILE 15 H ILE 15 -3.193 -2.423 7.149 124 HA ILE 15 HA ILE 15 -5.401 -3.624 5.928 125 HB ILE 15 HB ILE 15 -2.507 -4.489 6.205 126 HG12 ILE 15 HG12 ILE 15 -3.905 -3.388 3.764 127 HG13 ILE 15 HG13 ILE 15 -3.236 -2.303 4.977 128 HG21 ILE 15 HG21 ILE 15 -3.956 -6.456 5.646 129 HG22 ILE 15 HG22 ILE 15 -2.883 -6.014 4.319 130 HG23 ILE 15 HG23 ILE 15 -4.586 -5.562 4.261 131 HD11 ILE 15 HD11 ILE 15 -1.565 -2.643 3.254 132 HD12 ILE 15 HD12 ILE 15 -1.749 -4.394 3.353 133 HD13 ILE 15 HD13 ILE 15 -1.030 -3.505 4.697 134 H SER 16 H SER 16 -3.307 -4.883 8.504 135 HA SER 16 HA SER 16 -4.633 -7.354 8.827 136 HB2 SER 16 HB2 SER 16 -2.813 -5.814 10.671 137 HB3 SER 16 HB3 SER 16 -3.367 -7.457 10.979 138 HG SER 16 HG SER 16 -2.012 -8.156 9.536 139 H GLU 17 H GLU 17 -5.030 -4.254 10.413 140 HA GLU 17 HA GLU 17 -6.740 -5.171 12.494 141 HB2 GLU 17 HB2 GLU 17 -5.479 -3.095 12.701 142 HB3 GLU 17 HB3 GLU 17 -6.356 -2.393 11.349 143 HG2 GLU 17 HG2 GLU 17 -8.447 -2.482 12.603 144 HG3 GLU 17 HG3 GLU 17 -7.660 -3.344 13.922 145 H LYS 18 H LYS 18 -7.355 -3.810 9.270 146 HA LYS 18 HA LYS 18 -10.220 -3.861 9.703 147 HB2 LYS 18 HB2 LYS 18 -8.445 -2.980 7.450 148 HB3 LYS 18 HB3 LYS 18 -10.154 -3.264 7.142 149 HG2 LYS 18 HG2 LYS 18 -10.109 -0.984 7.705 150 HG3 LYS 18 HG3 LYS 18 -10.554 -1.748 9.230 151 HD2 LYS 18 HD2 LYS 18 -8.165 -1.696 9.924 152 HD3 LYS 18 HD3 LYS 18 -7.768 -0.870 8.416 153 HE2 LYS 18 HE2 LYS 18 -9.258 0.989 9.020 154 HE3 LYS 18 HE3 LYS 18 -9.690 0.168 10.519 155 HZ1 LYS 18 HZ1 LYS 18 -7.745 0.699 11.475 156 HZ2 LYS 18 HZ2 LYS 18 -7.712 1.941 10.316 157 HZ3 LYS 18 HZ3 LYS 18 -6.846 0.504 10.050 158 H LEU 19 H LEU 19 -7.850 -5.998 8.311 159 HA LEU 19 HA LEU 19 -9.976 -7.583 7.014 160 HB2 LEU 19 HB2 LEU 19 -6.968 -7.775 6.751 161 HB3 LEU 19 HB3 LEU 19 -8.131 -8.777 5.889 162 HG LEU 19 HG LEU 19 -8.039 -5.748 5.701 163 HD11 LEU 19 HD11 LEU 19 -6.008 -7.000 4.788 164 HD12 LEU 19 HD12 LEU 19 -6.877 -6.001 3.626 165 HD13 LEU 19 HD13 LEU 19 -7.106 -7.749 3.629 166 HD21 LEU 19 HD21 LEU 19 -9.422 -6.218 3.630 167 HD22 LEU 19 HD22 LEU 19 -10.238 -6.622 5.141 168 HD23 LEU 19 HD23 LEU 19 -9.527 -7.899 4.152 169 H GLY 20 H GLY 20 -7.895 -7.607 9.777 170 HA2 GLY 20 HA2 GLY 20 -7.703 -9.118 11.519 171 HA3 GLY 20 HA3 GLY 20 -9.047 -10.015 10.812 172 H VAL 21 H VAL 21 -5.919 -9.134 9.406 173 HA VAL 21 HA VAL 21 -5.245 -12.019 9.143 174 HB VAL 21 HB VAL 21 -4.725 -9.904 7.036 175 HG11 VAL 21 HG11 VAL 21 -3.112 -11.670 6.902 176 HG12 VAL 21 HG12 VAL 21 -4.305 -11.990 5.646 177 HG13 VAL 21 HG13 VAL 21 -4.346 -12.906 7.150 178 HG21 VAL 21 HG21 VAL 21 -7.125 -10.296 7.098 179 HG22 VAL 21 HG22 VAL 21 -6.886 -12.038 7.211 180 HG23 VAL 21 HG23 VAL 21 -6.475 -11.189 5.722 181 H ASP 22 H ASP 22 -3.037 -12.558 9.232 182 HA ASP 22 HA ASP 22 -1.364 -10.555 10.536 183 HB2 ASP 22 HB2 ASP 22 -1.364 -13.518 10.346 184 HB3 ASP 22 HB3 ASP 22 0.206 -12.737 10.515 185 H GLU 23 H GLU 23 0.634 -9.975 9.886 186 HA GLU 23 HA GLU 23 1.037 -9.152 7.351 187 HB2 GLU 23 HB2 GLU 23 3.276 -8.632 7.870 188 HB3 GLU 23 HB3 GLU 23 2.401 -8.545 9.388 189 HG2 GLU 23 HG2 GLU 23 3.999 -10.948 8.476 190 HG3 GLU 23 HG3 GLU 23 4.602 -9.712 9.577 191 H SER 24 H SER 24 1.417 -12.494 8.293 192 HA SER 24 HA SER 24 3.309 -13.383 6.442 193 HB2 SER 24 HB2 SER 24 2.173 -15.560 6.575 194 HB3 SER 24 HB3 SER 24 2.304 -14.832 8.174 195 HG SER 24 HG SER 24 0.089 -15.387 6.642 196 H GLN 25 H GLN 25 -0.129 -12.666 6.061 197 HA GLN 25 HA GLN 25 -0.275 -13.446 3.282 198 HB2 GLN 25 HB2 GLN 25 -2.079 -11.851 5.101 199 HB3 GLN 25 HB3 GLN 25 -2.432 -12.092 3.391 200 HG2 GLN 25 HG2 GLN 25 -1.872 -14.384 5.275 201 HG3 GLN 25 HG3 GLN 25 -3.501 -13.781 4.971 202 HE21 GLN 25 HE21 GLN 25 -3.696 -13.363 2.308 203 HE22 GLN 25 HE22 GLN 25 -3.289 -14.760 1.422 204 H VAL 26 H VAL 26 0.759 -10.661 5.030 205 HA VAL 26 HA VAL 26 0.480 -8.777 2.872 206 HB VAL 26 HB VAL 26 1.903 -8.562 5.540 207 HG11 VAL 26 HG11 VAL 26 2.706 -6.973 3.709 208 HG12 VAL 26 HG12 VAL 26 2.067 -6.204 5.160 209 HG13 VAL 26 HG13 VAL 26 1.077 -6.300 3.705 210 HG21 VAL 26 HG21 VAL 26 -0.526 -8.856 5.756 211 HG22 VAL 26 HG22 VAL 26 -0.801 -7.561 4.591 212 HG23 VAL 26 HG23 VAL 26 -0.080 -7.198 6.159 213 H THR 27 H THR 27 1.836 -8.569 1.245 214 HA THR 27 HA THR 27 4.705 -9.058 1.613 215 HB THR 27 HB THR 27 3.335 -10.193 -0.822 216 HG1 THR 27 HG1 THR 27 2.467 -11.269 0.931 217 HG21 THR 27 HG21 THR 27 5.384 -11.509 -0.977 218 HG22 THR 27 HG22 THR 27 5.946 -10.857 0.562 219 HG23 THR 27 HG23 THR 27 5.793 -9.801 -0.840 220 H GLU 28 H GLU 28 5.986 -7.977 0.074 221 HA GLU 28 HA GLU 28 4.970 -5.517 -0.850 222 HB2 GLU 28 HB2 GLU 28 7.471 -7.059 -1.564 223 HB3 GLU 28 HB3 GLU 28 7.128 -5.440 -2.175 224 HG2 GLU 28 HG2 GLU 28 6.969 -4.593 0.132 225 HG3 GLU 28 HG3 GLU 28 7.295 -6.209 0.753 226 H GLU 29 H GLU 29 5.022 -8.714 -2.235 227 HA GLU 29 HA GLU 29 4.179 -7.659 -4.862 228 HB2 GLU 29 HB2 GLU 29 4.746 -9.886 -5.755 229 HB3 GLU 29 HB3 GLU 29 6.125 -9.120 -4.973 230 HG2 GLU 29 HG2 GLU 29 5.684 -10.442 -2.922 231 HG3 GLU 29 HG3 GLU 29 4.325 -11.224 -3.725 232 H ALA 30 H ALA 30 2.768 -8.771 -2.077 233 HA ALA 30 HA ALA 30 0.765 -10.494 -3.262 234 HB1 ALA 30 HB1 ALA 30 1.179 -11.060 -1.034 235 HB2 ALA 30 HB2 ALA 30 -0.298 -10.104 -0.914 236 HB3 ALA 30 HB3 ALA 30 1.258 -9.376 -0.517 237 H LYS 31 H LYS 31 -1.258 -9.956 -3.872 238 HA LYS 31 HA LYS 31 -1.873 -7.117 -4.181 239 HB2 LYS 31 HB2 LYS 31 -3.453 -9.563 -5.005 240 HB3 LYS 31 HB3 LYS 31 -3.804 -7.906 -5.479 241 HG2 LYS 31 HG2 LYS 31 -1.087 -9.068 -6.066 242 HG3 LYS 31 HG3 LYS 31 -2.443 -9.494 -7.103 243 HD2 LYS 31 HD2 LYS 31 -1.811 -6.613 -6.441 244 HD3 LYS 31 HD3 LYS 31 -1.027 -7.443 -7.785 245 HE2 LYS 31 HE2 LYS 31 -4.028 -7.160 -7.424 246 HE3 LYS 31 HE3 LYS 31 -3.045 -6.207 -8.532 247 HZ1 LYS 31 HZ1 LYS 31 -3.867 -8.998 -8.712 248 HZ2 LYS 31 HZ2 LYS 31 -2.310 -8.622 -9.276 249 HZ3 LYS 31 HZ3 LYS 31 -3.667 -7.843 -9.938 250 H LEU 32 H LEU 32 -3.160 -6.032 -2.823 251 HA LEU 32 HA LEU 32 -4.003 -7.176 -0.398 252 HB2 LEU 32 HB2 LEU 32 -4.667 -4.578 -1.756 253 HB3 LEU 32 HB3 LEU 32 -5.349 -5.015 -0.189 254 HG LEU 32 HG LEU 32 -2.833 -5.531 0.446 255 HD11 LEU 32 HD11 LEU 32 -2.586 -3.749 -1.980 256 HD12 LEU 32 HD12 LEU 32 -1.786 -5.290 -1.673 257 HD13 LEU 32 HD13 LEU 32 -1.327 -3.864 -0.749 258 HD21 LEU 32 HD21 LEU 32 -3.759 -2.662 0.094 259 HD22 LEU 32 HD22 LEU 32 -2.581 -3.251 1.266 260 HD23 LEU 32 HD23 LEU 32 -4.274 -3.723 1.405 261 H ILE 33 H ILE 33 -5.811 -6.667 -3.415 262 HA ILE 33 HA ILE 33 -8.277 -7.462 -2.120 263 HB ILE 33 HB ILE 33 -8.283 -5.735 -3.877 264 HG12 ILE 33 HG12 ILE 33 -9.846 -8.153 -4.807 265 HG13 ILE 33 HG13 ILE 33 -10.261 -7.277 -3.331 266 HG21 ILE 33 HG21 ILE 33 -6.501 -6.906 -5.276 267 HG22 ILE 33 HG22 ILE 33 -7.870 -6.259 -6.178 268 HG23 ILE 33 HG23 ILE 33 -7.777 -7.987 -5.837 269 HD11 ILE 33 HD11 ILE 33 -10.706 -5.261 -4.538 270 HD12 ILE 33 HD12 ILE 33 -11.498 -6.547 -5.448 271 HD13 ILE 33 HD13 ILE 33 -9.960 -5.891 -6.007 272 H ASP 34 H ASP 34 -6.005 -8.969 -4.426 273 HA ASP 34 HA ASP 34 -7.665 -11.361 -4.554 274 HB2 ASP 34 HB2 ASP 34 -4.938 -10.799 -5.723 275 HB3 ASP 34 HB3 ASP 34 -5.927 -12.215 -6.066 276 H ASP 35 H ASP 35 -4.345 -10.642 -3.461 277 HA ASP 35 HA ASP 35 -3.906 -13.214 -2.335 278 HB2 ASP 35 HB2 ASP 35 -2.183 -11.461 -3.106 279 HB3 ASP 35 HB3 ASP 35 -2.415 -10.747 -1.511 280 H LEU 36 H LEU 36 -5.305 -10.261 -1.019 281 HA LEU 36 HA LEU 36 -5.349 -11.548 1.647 282 HB2 LEU 36 HB2 LEU 36 -4.954 -8.738 0.777 283 HB3 LEU 36 HB3 LEU 36 -5.892 -8.978 2.245 284 HG LEU 36 HG LEU 36 -3.210 -10.329 1.844 285 HD11 LEU 36 HD11 LEU 36 -3.730 -7.621 3.115 286 HD12 LEU 36 HD12 LEU 36 -2.902 -7.877 1.579 287 HD13 LEU 36 HD13 LEU 36 -2.182 -8.468 3.078 288 HD21 LEU 36 HD21 LEU 36 -4.900 -9.564 4.245 289 HD22 LEU 36 HD22 LEU 36 -3.277 -10.248 4.355 290 HD23 LEU 36 HD23 LEU 36 -4.587 -11.195 3.651 291 H GLY 37 H GLY 37 -7.364 -10.284 -0.933 292 HA2 GLY 37 HA2 GLY 37 -9.663 -10.755 -1.147 293 HA3 GLY 37 HA3 GLY 37 -9.706 -11.212 0.544 294 H ALA 38 H ALA 38 -8.207 -8.175 -0.229 295 HA ALA 38 HA ALA 38 -10.321 -6.762 1.200 296 HB1 ALA 38 HB1 ALA 38 -8.808 -4.880 1.209 297 HB2 ALA 38 HB2 ALA 38 -7.769 -5.654 0.013 298 HB3 ALA 38 HB3 ALA 38 -7.892 -6.323 1.640 299 H ASP 39 H ASP 39 -12.040 -6.375 0.022 300 HA ASP 39 HA ASP 39 -12.139 -5.995 -2.765 301 HB2 ASP 39 HB2 ASP 39 -14.080 -6.683 -1.368 302 HB3 ASP 39 HB3 ASP 39 -14.157 -5.046 -0.717 303 H SER 40 H SER 40 -12.837 -4.046 -3.922 304 HA SER 40 HA SER 40 -11.100 -1.937 -3.743 305 HB2 SER 40 HB2 SER 40 -12.682 -0.631 -5.095 306 HB3 SER 40 HB3 SER 40 -12.549 -2.288 -5.680 307 HG SER 40 HG SER 40 -14.742 -1.297 -5.339 308 H LEU 41 H LEU 41 -14.246 -2.206 -2.109 309 HA LEU 41 HA LEU 41 -14.313 0.425 -1.049 310 HB2 LEU 41 HB2 LEU 41 -16.281 -1.083 -1.047 311 HB3 LEU 41 HB3 LEU 41 -15.467 -2.144 0.096 312 HG LEU 41 HG LEU 41 -15.375 -0.234 1.725 313 HD11 LEU 41 HD11 LEU 41 -17.043 1.118 -0.416 314 HD12 LEU 41 HD12 LEU 41 -15.512 1.678 0.261 315 HD13 LEU 41 HD13 LEU 41 -16.970 1.678 1.255 316 HD21 LEU 41 HD21 LEU 41 -18.151 -0.921 0.713 317 HD22 LEU 41 HD22 LEU 41 -17.747 -0.359 2.337 318 HD23 LEU 41 HD23 LEU 41 -17.183 -1.936 1.782 319 H ASP 42 H ASP 42 -13.103 -2.644 0.222 320 HA ASP 42 HA ASP 42 -12.144 -1.735 2.708 321 HB2 ASP 42 HB2 ASP 42 -11.159 -3.988 0.934 322 HB3 ASP 42 HB3 ASP 42 -10.567 -3.706 2.561 323 H LEU 43 H LEU 43 -10.586 -1.894 -0.483 324 HA LEU 43 HA LEU 43 -8.009 -1.107 0.285 325 HB2 LEU 43 HB2 LEU 43 -9.495 -0.766 -2.327 326 HB3 LEU 43 HB3 LEU 43 -7.787 -0.385 -2.121 327 HG LEU 43 HG LEU 43 -8.977 -3.105 -1.496 328 HD11 LEU 43 HD11 LEU 43 -9.256 -2.859 -3.845 329 HD12 LEU 43 HD12 LEU 43 -7.736 -3.728 -3.669 330 HD13 LEU 43 HD13 LEU 43 -7.727 -1.999 -4.020 331 HD21 LEU 43 HD21 LEU 43 -6.885 -2.754 -0.339 332 HD22 LEU 43 HD22 LEU 43 -6.146 -2.050 -1.778 333 HD23 LEU 43 HD23 LEU 43 -6.544 -3.765 -1.740 334 H VAL 44 H VAL 44 -10.847 0.814 -0.663 335 HA VAL 44 HA VAL 44 -9.553 3.315 -0.778 336 HB VAL 44 HB VAL 44 -12.423 2.573 -0.136 337 HG11 VAL 44 HG11 VAL 44 -12.950 4.955 -0.726 338 HG12 VAL 44 HG12 VAL 44 -11.222 5.304 -0.702 339 HG13 VAL 44 HG13 VAL 44 -12.041 4.801 0.777 340 HG21 VAL 44 HG21 VAL 44 -12.849 3.028 -2.436 341 HG22 VAL 44 HG22 VAL 44 -11.378 2.056 -2.420 342 HG23 VAL 44 HG23 VAL 44 -11.276 3.799 -2.652 343 H ASP 45 H ASP 45 -11.203 1.659 1.910 344 HA ASP 45 HA ASP 45 -10.830 3.664 3.856 345 HB2 ASP 45 HB2 ASP 45 -11.170 0.671 4.076 346 HB3 ASP 45 HB3 ASP 45 -11.091 1.724 5.480 347 H LEU 46 H LEU 46 -8.806 0.935 2.886 348 HA LEU 46 HA LEU 46 -6.850 1.169 4.919 349 HB2 LEU 46 HB2 LEU 46 -7.120 -0.220 2.302 350 HB3 LEU 46 HB3 LEU 46 -5.484 0.025 2.873 351 HG LEU 46 HG LEU 46 -5.982 -1.175 4.949 352 HD11 LEU 46 HD11 LEU 46 -8.509 -0.476 4.920 353 HD12 LEU 46 HD12 LEU 46 -8.088 -2.068 5.537 354 HD13 LEU 46 HD13 LEU 46 -8.729 -1.900 3.905 355 HD21 LEU 46 HD21 LEU 46 -6.141 -3.364 4.004 356 HD22 LEU 46 HD22 LEU 46 -5.395 -2.364 2.759 357 HD23 LEU 46 HD23 LEU 46 -7.102 -2.784 2.646 358 H VAL 47 H VAL 47 -6.559 2.108 1.453 359 HA VAL 47 HA VAL 47 -4.151 3.468 1.741 360 HB VAL 47 HB VAL 47 -5.060 2.841 -0.449 361 HG11 VAL 47 HG11 VAL 47 -7.446 3.635 0.218 362 HG12 VAL 47 HG12 VAL 47 -6.926 3.907 -1.444 363 HG13 VAL 47 HG13 VAL 47 -6.904 5.235 -0.284 364 HG21 VAL 47 HG21 VAL 47 -4.739 5.851 -0.391 365 HG22 VAL 47 HG22 VAL 47 -4.226 4.718 -1.641 366 HG23 VAL 47 HG23 VAL 47 -3.384 4.762 -0.095 367 H MET 48 H MET 48 -7.487 4.763 2.044 368 HA MET 48 HA MET 48 -6.770 7.450 2.425 369 HB2 MET 48 HB2 MET 48 -9.122 5.839 3.431 370 HB3 MET 48 HB3 MET 48 -8.973 7.577 3.690 371 HG2 MET 48 HG2 MET 48 -8.847 6.269 0.959 372 HG3 MET 48 HG3 MET 48 -10.317 6.957 1.647 373 HE1 MET 48 HE1 MET 48 -9.607 9.578 -0.949 374 HE2 MET 48 HE2 MET 48 -10.401 8.064 -0.526 375 HE3 MET 48 HE3 MET 48 -8.789 8.036 -1.234 376 H ASP 49 H ASP 49 -7.086 4.768 4.730 377 HA ASP 49 HA ASP 49 -6.752 6.129 7.123 378 HB2 ASP 49 HB2 ASP 49 -7.047 3.570 6.676 379 HB3 ASP 49 HB3 ASP 49 -5.282 3.539 6.690 380 H PHE 50 H PHE 50 -4.324 5.190 4.739 381 HA PHE 50 HA PHE 50 -2.063 6.159 6.297 382 HB2 PHE 50 HB2 PHE 50 -2.073 5.755 3.301 383 HB3 PHE 50 HB3 PHE 50 -0.699 5.710 4.391 384 HD1 PHE 50 HD1 PHE 50 -2.207 3.658 2.317 385 HD2 PHE 50 HD2 PHE 50 -1.632 3.891 6.570 386 HE1 PHE 50 HE1 PHE 50 -2.483 1.208 2.486 387 HE2 PHE 50 HE2 PHE 50 -1.909 1.432 6.730 388 HZ PHE 50 HZ PHE 50 -2.342 0.099 4.686 389 H GLU 51 H GLU 51 -4.297 7.458 3.955 390 HA GLU 51 HA GLU 51 -2.922 9.706 3.002 391 HB2 GLU 51 HB2 GLU 51 -5.116 8.776 2.155 392 HB3 GLU 51 HB3 GLU 51 -5.894 9.527 3.542 393 HG2 GLU 51 HG2 GLU 51 -4.977 11.733 2.808 394 HG3 GLU 51 HG3 GLU 51 -4.369 10.944 1.352 395 H SER 52 H SER 52 -4.989 9.309 5.875 396 HA SER 52 HA SER 52 -4.619 12.074 6.684 397 HB2 SER 52 HB2 SER 52 -5.998 9.745 8.029 398 HB3 SER 52 HB3 SER 52 -5.979 11.392 8.655 399 HG SER 52 HG SER 52 -7.784 10.591 7.176 400 H GLU 53 H GLU 53 -3.578 8.872 7.769 401 HA GLU 53 HA GLU 53 -2.268 9.658 10.127 402 HB2 GLU 53 HB2 GLU 53 -1.753 7.341 8.263 403 HB3 GLU 53 HB3 GLU 53 -0.882 7.556 9.782 404 HG2 GLU 53 HG2 GLU 53 -2.940 7.470 11.051 405 HG3 GLU 53 HG3 GLU 53 -3.906 7.485 9.582 406 H PHE 54 H PHE 54 -0.905 9.305 6.822 407 HA PHE 54 HA PHE 54 1.645 10.364 7.724 408 HB2 PHE 54 HB2 PHE 54 0.622 9.504 5.015 409 HB3 PHE 54 HB3 PHE 54 2.230 10.178 5.260 410 HD1 PHE 54 HD1 PHE 54 0.071 7.269 5.739 411 HD2 PHE 54 HD2 PHE 54 3.869 9.010 6.729 412 HE1 PHE 54 HE1 PHE 54 0.885 5.056 6.505 413 HE2 PHE 54 HE2 PHE 54 4.686 6.797 7.493 414 HZ PHE 54 HZ PHE 54 3.192 4.819 7.382 415 H GLY 55 H GLY 55 -1.235 11.870 7.004 416 HA2 GLY 55 HA2 GLY 55 -1.792 14.058 6.553 417 HA3 GLY 55 HA3 GLY 55 -0.128 14.460 6.966 418 H VAL 56 H VAL 56 -1.169 12.310 4.372 419 HA VAL 56 HA VAL 56 -0.285 14.301 2.373 420 HB VAL 56 HB VAL 56 0.819 12.479 1.099 421 HG11 VAL 56 HG11 VAL 56 2.263 13.823 2.437 422 HG12 VAL 56 HG12 VAL 56 2.729 12.153 2.761 423 HG13 VAL 56 HG13 VAL 56 1.736 13.033 3.922 424 HG21 VAL 56 HG21 VAL 56 0.037 10.866 3.538 425 HG22 VAL 56 HG22 VAL 56 1.355 10.371 2.476 426 HG23 VAL 56 HG23 VAL 56 -0.287 10.498 1.845 427 H LYS 57 H LYS 57 -1.232 14.157 0.351 428 HA LYS 57 HA LYS 57 -3.813 12.745 0.305 429 HB2 LYS 57 HB2 LYS 57 -3.858 15.198 -0.059 430 HB3 LYS 57 HB3 LYS 57 -2.795 15.006 -1.450 431 HG2 LYS 57 HG2 LYS 57 -5.068 15.192 -2.272 432 HG3 LYS 57 HG3 LYS 57 -4.550 13.524 -2.499 433 HD2 LYS 57 HD2 LYS 57 -5.730 12.866 -0.442 434 HD3 LYS 57 HD3 LYS 57 -6.226 14.534 -0.178 435 HE2 LYS 57 HE2 LYS 57 -7.489 14.514 -2.279 436 HE3 LYS 57 HE3 LYS 57 -6.957 12.863 -2.599 437 HZ1 LYS 57 HZ1 LYS 57 -8.001 12.252 -0.431 438 HZ2 LYS 57 HZ2 LYS 57 -9.098 12.735 -1.637 439 HZ3 LYS 57 HZ3 LYS 57 -8.685 13.804 -0.381 440 H VAL 58 H VAL 58 -4.375 11.322 -1.367 441 HA VAL 58 HA VAL 58 -2.105 10.462 -3.055 442 HB VAL 58 HB VAL 58 -3.254 8.278 -3.215 443 HG11 VAL 58 HG11 VAL 58 -2.588 7.519 -1.054 444 HG12 VAL 58 HG12 VAL 58 -2.959 9.074 -0.306 445 HG13 VAL 58 HG13 VAL 58 -1.572 8.921 -1.382 446 HG21 VAL 58 HG21 VAL 58 -5.138 9.427 -1.118 447 HG22 VAL 58 HG22 VAL 58 -5.157 7.782 -1.753 448 HG23 VAL 58 HG23 VAL 58 -5.571 9.137 -2.802 449 H ASP 59 H ASP 59 -2.355 10.046 -5.146 450 HA ASP 59 HA ASP 59 -4.461 11.471 -6.550 451 HB2 ASP 59 HB2 ASP 59 -2.021 11.538 -7.213 452 HB3 ASP 59 HB3 ASP 59 -2.188 9.860 -7.692 453 H ASP 60 H ASP 60 -6.104 10.588 -7.691 454 HA ASP 60 HA ASP 60 -7.037 7.984 -7.163 455 HB2 ASP 60 HB2 ASP 60 -7.576 9.822 -9.515 456 HB3 ASP 60 HB3 ASP 60 -8.422 8.298 -9.273 457 H ALA 61 H ALA 61 -4.933 9.285 -9.608 458 HA ALA 61 HA ALA 61 -4.633 6.954 -11.224 459 HB1 ALA 61 HB1 ALA 61 -2.386 8.876 -10.936 460 HB2 ALA 61 HB2 ALA 61 -3.896 9.492 -11.594 461 HB3 ALA 61 HB3 ALA 61 -3.064 8.157 -12.390 462 H ASP 62 H ASP 62 -2.955 8.217 -8.313 463 HA ASP 62 HA ASP 62 -0.866 6.315 -8.246 464 HB2 ASP 62 HB2 ASP 62 -2.199 7.852 -6.008 465 HB3 ASP 62 HB3 ASP 62 -0.865 6.749 -5.736 466 H LEU 63 H LEU 63 -4.190 6.259 -6.998 467 HA LEU 63 HA LEU 63 -4.031 3.861 -5.542 468 HB2 LEU 63 HB2 LEU 63 -6.336 5.081 -7.084 469 HB3 LEU 63 HB3 LEU 63 -6.505 3.661 -6.057 470 HG LEU 63 HG LEU 63 -5.358 6.279 -5.049 471 HD11 LEU 63 HD11 LEU 63 -8.191 5.271 -4.679 472 HD12 LEU 63 HD12 LEU 63 -7.748 6.461 -5.902 473 HD13 LEU 63 HD13 LEU 63 -7.534 6.834 -4.191 474 HD21 LEU 63 HD21 LEU 63 -6.102 5.249 -2.848 475 HD22 LEU 63 HD22 LEU 63 -4.784 4.396 -3.648 476 HD23 LEU 63 HD23 LEU 63 -6.426 3.761 -3.736 477 H GLU 64 H GLU 64 -4.719 4.440 -9.011 478 HA GLU 64 HA GLU 64 -5.119 1.733 -9.721 479 HB2 GLU 64 HB2 GLU 64 -4.225 4.143 -11.311 480 HB3 GLU 64 HB3 GLU 64 -4.555 2.573 -12.038 481 HG2 GLU 64 HG2 GLU 64 -6.537 4.199 -10.413 482 HG3 GLU 64 HG3 GLU 64 -6.523 4.079 -12.169 483 H LYS 65 H LYS 65 -2.243 3.709 -9.352 484 HA LYS 65 HA LYS 65 -0.408 1.837 -10.581 485 HB2 LYS 65 HB2 LYS 65 0.115 4.190 -8.740 486 HB3 LYS 65 HB3 LYS 65 1.339 3.318 -9.657 487 HG2 LYS 65 HG2 LYS 65 0.485 4.097 -11.741 488 HG3 LYS 65 HG3 LYS 65 -1.019 4.642 -11.011 489 HD2 LYS 65 HD2 LYS 65 0.715 6.148 -9.562 490 HD3 LYS 65 HD3 LYS 65 1.677 5.942 -11.018 491 HE2 LYS 65 HE2 LYS 65 0.267 7.237 -12.297 492 HE3 LYS 65 HE3 LYS 65 -1.176 6.750 -11.407 493 HZ1 LYS 65 HZ1 LYS 65 -0.552 9.086 -10.983 494 HZ2 LYS 65 HZ2 LYS 65 0.938 8.555 -10.349 495 HZ3 LYS 65 HZ3 LYS 65 -0.514 8.136 -9.576 496 H ILE 66 H ILE 66 -1.943 2.074 -7.544 497 HA ILE 66 HA ILE 66 0.076 0.346 -6.228 498 HB ILE 66 HB ILE 66 -2.072 2.090 -4.968 499 HG12 ILE 66 HG12 ILE 66 0.944 2.403 -4.833 500 HG13 ILE 66 HG13 ILE 66 -0.032 3.220 -6.050 501 HG21 ILE 66 HG21 ILE 66 -0.721 1.542 -2.863 502 HG22 ILE 66 HG22 ILE 66 0.039 0.256 -3.798 503 HG23 ILE 66 HG23 ILE 66 -1.699 0.224 -3.506 504 HD11 ILE 66 HD11 ILE 66 -0.113 3.572 -3.049 505 HD12 ILE 66 HD12 ILE 66 -1.435 4.114 -4.082 506 HD13 ILE 66 HD13 ILE 66 0.178 4.798 -4.284 507 H SER 67 H SER 67 -0.431 -1.756 -6.332 508 HA SER 67 HA SER 67 -3.268 -2.543 -5.973 509 HB2 SER 67 HB2 SER 67 -2.855 -4.443 -7.441 510 HB3 SER 67 HB3 SER 67 -2.481 -2.943 -8.282 511 HG SER 67 HG SER 67 -0.751 -4.231 -8.633 512 H THR 68 H THR 68 0.129 -3.428 -5.466 513 HA THR 68 HA THR 68 -0.672 -5.409 -3.441 514 HB THR 68 HB THR 68 1.689 -6.187 -3.586 515 HG1 THR 68 HG1 THR 68 3.107 -5.007 -4.561 516 HG21 THR 68 HG21 THR 68 0.270 -5.913 -6.257 517 HG22 THR 68 HG22 THR 68 0.036 -7.206 -5.080 518 HG23 THR 68 HG23 THR 68 1.580 -7.046 -5.919 519 H VAL 69 H VAL 69 0.759 -5.476 -1.506 520 HA VAL 69 HA VAL 69 0.672 -2.978 -0.162 521 HB VAL 69 HB VAL 69 2.160 -5.515 0.603 522 HG11 VAL 69 HG11 VAL 69 1.254 -3.230 2.376 523 HG12 VAL 69 HG12 VAL 69 2.911 -3.439 1.812 524 HG13 VAL 69 HG13 VAL 69 2.180 -4.648 2.866 525 HG21 VAL 69 HG21 VAL 69 -0.521 -4.535 1.607 526 HG22 VAL 69 HG22 VAL 69 0.202 -6.129 1.824 527 HG23 VAL 69 HG23 VAL 69 -0.369 -5.634 0.235 528 H GLY 70 H GLY 70 3.190 -4.552 -2.042 529 HA2 GLY 70 HA2 GLY 70 5.449 -3.149 -1.077 530 HA3 GLY 70 HA3 GLY 70 5.293 -3.817 -2.699 531 H ASP 71 H ASP 71 3.110 -2.395 -3.617 532 HA ASP 71 HA ASP 71 4.276 0.039 -4.470 533 HB2 ASP 71 HB2 ASP 71 1.456 -1.031 -4.631 534 HB3 ASP 71 HB3 ASP 71 1.941 0.507 -5.337 535 H ILE 72 H ILE 72 1.913 -0.792 -1.960 536 HA ILE 72 HA ILE 72 1.127 1.849 -1.269 537 HB ILE 72 HB ILE 72 1.284 -0.613 0.519 538 HG12 ILE 72 HG12 ILE 72 -1.031 0.474 -1.114 539 HG13 ILE 72 HG13 ILE 72 -0.069 -0.904 -1.577 540 HG21 ILE 72 HG21 ILE 72 -0.328 1.960 0.755 541 HG22 ILE 72 HG22 ILE 72 1.045 1.517 1.769 542 HG23 ILE 72 HG23 ILE 72 -0.447 0.580 1.846 543 HD11 ILE 72 HD11 ILE 72 -0.743 -1.848 0.767 544 HD12 ILE 72 HD12 ILE 72 -1.915 -1.882 -0.548 545 HD13 ILE 72 HD13 ILE 72 -2.023 -0.638 0.690 546 H VAL 73 H VAL 73 3.559 -0.349 0.115 547 HA VAL 73 HA VAL 73 4.605 1.386 2.052 548 HB VAL 73 HB VAL 73 5.841 -0.957 0.584 549 HG11 VAL 73 HG11 VAL 73 7.684 0.350 1.486 550 HG12 VAL 73 HG12 VAL 73 7.437 -1.049 2.530 551 HG13 VAL 73 HG13 VAL 73 6.850 0.538 3.029 552 HG21 VAL 73 HG21 VAL 73 4.774 -0.777 3.409 553 HG22 VAL 73 HG22 VAL 73 5.189 -2.233 2.505 554 HG23 VAL 73 HG23 VAL 73 3.782 -1.277 2.039 555 H SER 74 H SER 74 5.775 0.699 -1.252 556 HA SER 74 HA SER 74 7.961 2.471 -1.227 557 HB2 SER 74 HB2 SER 74 6.264 1.517 -3.539 558 HB3 SER 74 HB3 SER 74 7.795 2.367 -3.708 559 HG SER 74 HG SER 74 7.266 -0.193 -2.645 560 H TYR 75 H TYR 75 4.570 2.946 -2.025 561 HA TYR 75 HA TYR 75 4.723 5.476 -3.198 562 HB2 TYR 75 HB2 TYR 75 2.714 4.054 -3.287 563 HB3 TYR 75 HB3 TYR 75 2.474 4.289 -1.556 564 HD1 TYR 75 HD1 TYR 75 2.623 6.055 -4.833 565 HD2 TYR 75 HD2 TYR 75 1.444 6.269 -0.708 566 HE1 TYR 75 HE1 TYR 75 1.431 8.179 -5.282 567 HE2 TYR 75 HE2 TYR 75 0.251 8.390 -1.159 568 HH TYR 75 HH TYR 75 -0.596 9.426 -4.144 569 H ILE 76 H ILE 76 4.202 4.584 0.215 570 HA ILE 76 HA ILE 76 3.951 7.246 1.138 571 HB ILE 76 HB ILE 76 4.833 4.812 2.718 572 HG12 ILE 76 HG12 ILE 76 2.067 5.988 2.280 573 HG13 ILE 76 HG13 ILE 76 2.664 4.574 1.454 574 HG21 ILE 76 HG21 ILE 76 3.841 6.142 4.612 575 HG22 ILE 76 HG22 ILE 76 3.615 7.493 3.505 576 HG23 ILE 76 HG23 ILE 76 5.241 6.939 3.895 577 HD11 ILE 76 HD11 ILE 76 2.590 4.715 4.470 578 HD12 ILE 76 HD12 ILE 76 2.778 3.288 3.452 579 HD13 ILE 76 HD13 ILE 76 1.226 4.121 3.524 580 H GLU 77 H GLU 77 6.721 5.080 0.887 581 HA GLU 77 HA GLU 77 8.621 6.660 2.223 582 HB2 GLU 77 HB2 GLU 77 8.884 4.626 0.023 583 HB3 GLU 77 HB3 GLU 77 10.277 5.367 0.805 584 HG2 GLU 77 HG2 GLU 77 9.447 4.542 2.991 585 HG3 GLU 77 HG3 GLU 77 8.094 3.768 2.165 586 H LYS 78 H LYS 78 7.628 6.653 -1.201 587 HA LYS 78 HA LYS 78 9.627 8.655 -1.882 588 HB2 LYS 78 HB2 LYS 78 7.526 7.202 -3.492 589 HB3 LYS 78 HB3 LYS 78 8.606 8.422 -4.172 590 HG2 LYS 78 HG2 LYS 78 10.559 7.097 -3.448 591 HG3 LYS 78 HG3 LYS 78 9.479 5.877 -2.773 592 HD2 LYS 78 HD2 LYS 78 8.520 5.482 -5.011 593 HD3 LYS 78 HD3 LYS 78 9.598 6.702 -5.689 594 HE2 LYS 78 HE2 LYS 78 11.555 5.384 -4.973 595 HE3 LYS 78 HE3 LYS 78 10.483 4.164 -4.284 596 HZ1 LYS 78 HZ1 LYS 78 9.478 4.174 -6.662 597 HZ2 LYS 78 HZ2 LYS 78 10.901 3.299 -6.348 598 HZ3 LYS 78 HZ3 LYS 78 10.984 4.818 -7.104 599 H LYS 79 H LYS 79 6.137 8.484 -1.426 600 HA LYS 79 HA LYS 79 5.422 10.956 -2.554 601 HB2 LYS 79 HB2 LYS 79 3.838 9.127 -1.870 602 HB3 LYS 79 HB3 LYS 79 4.089 9.607 -0.194 603 HG2 LYS 79 HG2 LYS 79 2.100 10.729 -0.897 604 HG3 LYS 79 HG3 LYS 79 3.366 11.958 -0.923 605 HD2 LYS 79 HD2 LYS 79 3.625 11.736 -3.322 606 HD3 LYS 79 HD3 LYS 79 2.535 10.351 -3.356 607 HE2 LYS 79 HE2 LYS 79 0.695 11.813 -2.539 608 HE3 LYS 79 HE3 LYS 79 1.793 13.192 -2.604 609 HZ1 LYS 79 HZ1 LYS 79 0.841 11.521 -4.863 610 HZ2 LYS 79 HZ2 LYS 79 2.141 12.611 -5.000 611 HZ3 LYS 79 HZ3 LYS 79 0.587 13.182 -4.617 612 H LEU 80 H LEU 80 6.365 10.092 0.772 613 HA LEU 80 HA LEU 80 6.019 12.706 1.847 614 HB2 LEU 80 HB2 LEU 80 7.589 10.302 2.780 615 HB3 LEU 80 HB3 LEU 80 7.499 11.800 3.703 616 HG LEU 80 HG LEU 80 5.017 10.316 2.783 617 HD11 LEU 80 HD11 LEU 80 4.918 9.266 4.956 618 HD12 LEU 80 HD12 LEU 80 6.336 10.159 5.511 619 HD13 LEU 80 HD13 LEU 80 6.506 8.910 4.276 620 HD21 LEU 80 HD21 LEU 80 5.581 12.426 4.898 621 HD22 LEU 80 HD22 LEU 80 4.029 11.614 4.698 622 HD23 LEU 80 HD23 LEU 80 4.654 12.648 3.414 623 H GLY 81 H GLY 81 8.652 11.131 0.150 624 HA2 GLY 81 HA2 GLY 81 10.347 12.343 -0.994 625 HA3 GLY 81 HA3 GLY 81 10.127 13.675 0.138 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 11.908 8.742 12.890 2 H2 MET 1 HT2 MET 1 10.773 9.924 12.438 3 H3 MET 1 HT3 MET 1 12.240 10.383 13.163 4 HA MET 1 HA MET 1 12.225 10.776 10.751 5 HB2 MET 1 HB2 MET 1 14.127 8.715 11.893 6 HB3 MET 1 HB3 MET 1 14.370 9.490 10.326 7 HG2 MET 1 HG2 MET 1 14.227 11.719 11.500 8 HG3 MET 1 HG3 MET 1 14.224 10.846 13.033 9 HE1 MET 1 HE1 MET 1 16.211 8.430 12.689 10 HE2 MET 1 HE2 MET 1 15.931 9.566 14.006 11 HE3 MET 1 HE3 MET 1 17.572 9.280 13.433 12 H ALA 2 H ALA 2 11.988 9.957 8.683 13 HA ALA 2 HA ALA 2 10.188 7.803 8.321 14 HB1 ALA 2 HB1 ALA 2 11.929 9.336 6.384 15 HB2 ALA 2 HB2 ALA 2 10.209 9.562 6.698 16 HB3 ALA 2 HB3 ALA 2 10.771 8.106 5.877 17 H SER 3 H SER 3 10.481 5.734 7.521 18 HA SER 3 HA SER 3 13.045 4.729 6.748 19 HB2 SER 3 HB2 SER 3 13.199 4.730 9.272 20 HB3 SER 3 HB3 SER 3 11.856 3.590 9.289 21 HG SER 3 HG SER 3 14.380 3.030 9.015 22 H ARG 4 H ARG 4 12.781 2.796 5.547 23 HA ARG 4 HA ARG 4 10.284 2.269 4.446 24 HB2 ARG 4 HB2 ARG 4 12.460 1.601 3.443 25 HB3 ARG 4 HB3 ARG 4 12.628 0.359 4.680 26 HG2 ARG 4 HG2 ARG 4 10.599 -0.757 3.886 27 HG3 ARG 4 HG3 ARG 4 10.332 0.522 2.700 28 HD2 ARG 4 HD2 ARG 4 12.442 -0.042 1.587 29 HD3 ARG 4 HD3 ARG 4 12.766 -1.283 2.794 30 HE ARG 4 HE ARG 4 11.224 -2.671 1.733 31 HH11 ARG 4 HH11 ARG 4 10.925 0.582 0.459 32 HH12 ARG 4 HH12 ARG 4 9.892 0.098 -0.845 33 HH21 ARG 4 HH21 ARG 4 9.888 -3.253 0.019 34 HH22 ARG 4 HH22 ARG 4 9.308 -2.054 -1.087 35 H GLU 5 H GLU 5 11.944 0.678 7.141 36 HA GLU 5 HA GLU 5 10.120 -1.412 7.586 37 HB2 GLU 5 HB2 GLU 5 10.982 -1.429 9.921 38 HB3 GLU 5 HB3 GLU 5 12.272 -1.395 8.722 39 HG2 GLU 5 HG2 GLU 5 12.385 1.096 9.019 40 HG3 GLU 5 HG3 GLU 5 11.232 0.963 10.333 41 H GLU 6 H GLU 6 10.169 1.914 8.781 42 HA GLU 6 HA GLU 6 8.028 1.695 10.552 43 HB2 GLU 6 HB2 GLU 6 9.247 4.006 9.059 44 HB3 GLU 6 HB3 GLU 6 7.814 4.241 10.058 45 HG2 GLU 6 HG2 GLU 6 10.276 2.860 11.133 46 HG3 GLU 6 HG3 GLU 6 10.099 4.614 11.189 47 H ILE 7 H ILE 7 8.095 2.466 7.091 48 HA ILE 7 HA ILE 7 5.349 3.152 6.847 49 HB ILE 7 HB ILE 7 7.157 1.882 4.766 50 HG12 ILE 7 HG12 ILE 7 8.189 3.948 5.601 51 HG13 ILE 7 HG13 ILE 7 7.554 4.211 3.988 52 HG21 ILE 7 HG21 ILE 7 4.801 1.787 4.136 53 HG22 ILE 7 HG22 ILE 7 5.630 2.994 3.152 54 HG23 ILE 7 HG23 ILE 7 4.612 3.502 4.498 55 HD11 ILE 7 HD11 ILE 7 6.659 5.376 6.578 56 HD12 ILE 7 HD12 ILE 7 5.420 5.049 5.368 57 HD13 ILE 7 HD13 ILE 7 6.770 6.116 4.981 58 H PHE 8 H PHE 8 7.055 0.094 6.171 59 HA PHE 8 HA PHE 8 4.882 -1.480 5.551 60 HB2 PHE 8 HB2 PHE 8 7.231 -2.148 5.234 61 HB3 PHE 8 HB3 PHE 8 7.421 -2.316 6.977 62 HD1 PHE 8 HD1 PHE 8 5.552 -3.628 4.027 63 HD2 PHE 8 HD2 PHE 8 6.732 -4.303 8.103 64 HE1 PHE 8 HE1 PHE 8 4.693 -5.949 3.892 65 HE2 PHE 8 HE2 PHE 8 5.873 -6.625 7.966 66 HZ PHE 8 HZ PHE 8 4.853 -7.450 5.861 67 H SER 9 H SER 9 6.301 -0.972 8.812 68 HA SER 9 HA SER 9 4.663 -2.776 10.189 69 HB2 SER 9 HB2 SER 9 5.963 -0.216 11.126 70 HB3 SER 9 HB3 SER 9 5.205 -1.389 12.199 71 HG SER 9 HG SER 9 7.449 -1.760 11.974 72 H LYS 10 H LYS 10 4.159 0.731 9.632 73 HA LYS 10 HA LYS 10 1.661 0.780 11.022 74 HB2 LYS 10 HB2 LYS 10 3.118 2.710 9.246 75 HB3 LYS 10 HB3 LYS 10 1.417 2.989 9.609 76 HG2 LYS 10 HG2 LYS 10 2.641 4.181 11.283 77 HG3 LYS 10 HG3 LYS 10 2.032 2.731 12.075 78 HD2 LYS 10 HD2 LYS 10 4.225 1.633 11.747 79 HD3 LYS 10 HD3 LYS 10 4.825 3.089 10.958 80 HE2 LYS 10 HE2 LYS 10 4.431 4.383 13.011 81 HE3 LYS 10 HE3 LYS 10 3.809 2.938 13.807 82 HZ1 LYS 10 HZ1 LYS 10 6.456 2.758 12.578 83 HZ2 LYS 10 HZ2 LYS 10 5.864 2.040 14.001 84 HZ3 LYS 10 HZ3 LYS 10 6.324 3.675 14.000 85 H VAL 11 H VAL 11 2.559 0.410 7.628 86 HA VAL 11 HA VAL 11 -0.029 0.596 6.529 87 HB VAL 11 HB VAL 11 2.482 -0.815 5.584 88 HG11 VAL 11 HG11 VAL 11 0.688 -1.981 4.472 89 HG12 VAL 11 HG12 VAL 11 1.317 -0.806 3.317 90 HG13 VAL 11 HG13 VAL 11 -0.188 -0.479 4.178 91 HG21 VAL 11 HG21 VAL 11 2.256 1.768 5.773 92 HG22 VAL 11 HG22 VAL 11 1.144 1.631 4.415 93 HG23 VAL 11 HG23 VAL 11 2.817 1.102 4.240 94 H LYS 12 H LYS 12 1.849 -2.167 7.722 95 HA LYS 12 HA LYS 12 -0.075 -4.164 7.170 96 HB2 LYS 12 HB2 LYS 12 2.305 -4.645 7.782 97 HB3 LYS 12 HB3 LYS 12 1.931 -4.159 9.434 98 HG2 LYS 12 HG2 LYS 12 -0.067 -6.074 8.621 99 HG3 LYS 12 HG3 LYS 12 1.500 -6.719 8.158 100 HD2 LYS 12 HD2 LYS 12 2.305 -6.667 10.398 101 HD3 LYS 12 HD3 LYS 12 1.005 -5.608 10.924 102 HE2 LYS 12 HE2 LYS 12 -0.503 -7.327 11.129 103 HE3 LYS 12 HE3 LYS 12 0.167 -8.243 9.777 104 HZ1 LYS 12 HZ1 LYS 12 0.517 -9.097 12.167 105 HZ2 LYS 12 HZ2 LYS 12 1.720 -7.896 12.262 106 HZ3 LYS 12 HZ3 LYS 12 1.827 -9.118 11.092 107 H SER 13 H SER 13 0.395 -1.994 9.928 108 HA SER 13 HA SER 13 -1.365 -3.196 11.734 109 HB2 SER 13 HB2 SER 13 0.161 -1.390 12.367 110 HB3 SER 13 HB3 SER 13 -0.745 -0.257 11.369 111 HG SER 13 HG SER 13 -2.455 -0.428 12.731 112 H ILE 14 H ILE 14 -2.073 -0.825 9.147 113 HA ILE 14 HA ILE 14 -4.825 -0.576 9.911 114 HB ILE 14 HB ILE 14 -3.508 0.090 7.264 115 HG12 ILE 14 HG12 ILE 14 -2.377 1.306 9.067 116 HG13 ILE 14 HG13 ILE 14 -3.378 2.423 8.150 117 HG21 ILE 14 HG21 ILE 14 -5.970 1.415 8.397 118 HG22 ILE 14 HG22 ILE 14 -6.097 -0.069 7.456 119 HG23 ILE 14 HG23 ILE 14 -5.400 1.374 6.729 120 HD11 ILE 14 HD11 ILE 14 -5.162 1.777 10.060 121 HD12 ILE 14 HD12 ILE 14 -3.980 3.064 10.291 122 HD13 ILE 14 HD13 ILE 14 -3.685 1.465 10.969 123 H ILE 15 H ILE 15 -3.165 -2.284 7.228 124 HA ILE 15 HA ILE 15 -5.442 -3.447 6.101 125 HB ILE 15 HB ILE 15 -2.540 -4.319 6.095 126 HG12 ILE 15 HG12 ILE 15 -4.178 -2.996 3.913 127 HG13 ILE 15 HG13 ILE 15 -3.279 -2.062 5.105 128 HG21 ILE 15 HG21 ILE 15 -4.791 -5.244 4.267 129 HG22 ILE 15 HG22 ILE 15 -4.062 -6.233 5.532 130 HG23 ILE 15 HG23 ILE 15 -3.096 -5.715 4.151 131 HD11 ILE 15 HD11 ILE 15 -2.093 -4.120 3.213 132 HD12 ILE 15 HD12 ILE 15 -1.191 -3.200 4.417 133 HD13 ILE 15 HD13 ILE 15 -1.944 -2.370 3.056 134 H SER 16 H SER 16 -3.202 -4.796 8.496 135 HA SER 16 HA SER 16 -4.487 -7.296 8.771 136 HB2 SER 16 HB2 SER 16 -2.630 -5.776 10.602 137 HB3 SER 16 HB3 SER 16 -3.167 -7.427 10.906 138 HG SER 16 HG SER 16 -1.985 -8.122 9.275 139 H GLU 17 H GLU 17 -4.834 -4.260 10.481 140 HA GLU 17 HA GLU 17 -6.571 -5.230 12.533 141 HB2 GLU 17 HB2 GLU 17 -5.262 -3.207 12.870 142 HB3 GLU 17 HB3 GLU 17 -6.054 -2.423 11.510 143 HG2 GLU 17 HG2 GLU 17 -8.220 -2.552 12.700 144 HG3 GLU 17 HG3 GLU 17 -7.431 -3.349 14.054 145 H LYS 18 H LYS 18 -7.077 -3.704 9.381 146 HA LYS 18 HA LYS 18 -9.930 -3.521 9.729 147 HB2 LYS 18 HB2 LYS 18 -8.192 -3.104 7.288 148 HB3 LYS 18 HB3 LYS 18 -9.901 -2.692 7.394 149 HG2 LYS 18 HG2 LYS 18 -7.962 -1.577 9.419 150 HG3 LYS 18 HG3 LYS 18 -8.086 -0.833 7.832 151 HD2 LYS 18 HD2 LYS 18 -10.535 -0.575 8.173 152 HD3 LYS 18 HD3 LYS 18 -10.351 -1.218 9.807 153 HE2 LYS 18 HE2 LYS 18 -8.961 1.257 8.732 154 HE3 LYS 18 HE3 LYS 18 -10.371 1.268 9.787 155 HZ1 LYS 18 HZ1 LYS 18 -9.106 0.184 11.501 156 HZ2 LYS 18 HZ2 LYS 18 -8.259 1.565 10.985 157 HZ3 LYS 18 HZ3 LYS 18 -7.763 0.024 10.475 158 H LEU 19 H LEU 19 -7.711 -5.825 8.295 159 HA LEU 19 HA LEU 19 -9.954 -7.259 7.026 160 HB2 LEU 19 HB2 LEU 19 -6.972 -7.580 6.652 161 HB3 LEU 19 HB3 LEU 19 -8.204 -8.507 5.803 162 HG LEU 19 HG LEU 19 -7.931 -5.485 5.697 163 HD11 LEU 19 HD11 LEU 19 -7.286 -7.474 3.508 164 HD12 LEU 19 HD12 LEU 19 -6.065 -6.873 4.628 165 HD13 LEU 19 HD13 LEU 19 -6.905 -5.752 3.556 166 HD21 LEU 19 HD21 LEU 19 -10.221 -6.156 5.241 167 HD22 LEU 19 HD22 LEU 19 -9.679 -7.462 4.187 168 HD23 LEU 19 HD23 LEU 19 -9.462 -5.785 3.694 169 H GLY 20 H GLY 20 -7.862 -7.460 9.757 170 HA2 GLY 20 HA2 GLY 20 -7.797 -9.008 11.475 171 HA3 GLY 20 HA3 GLY 20 -9.117 -9.865 10.687 172 H VAL 21 H VAL 21 -5.933 -9.082 9.351 173 HA VAL 21 HA VAL 21 -5.248 -11.967 9.323 174 HB VAL 21 HB VAL 21 -3.942 -11.215 7.078 175 HG11 VAL 21 HG11 VAL 21 -5.349 -13.137 7.101 176 HG12 VAL 21 HG12 VAL 21 -5.946 -12.117 5.794 177 HG13 VAL 21 HG13 VAL 21 -6.804 -12.165 7.335 178 HG21 VAL 21 HG21 VAL 21 -6.439 -9.496 7.135 179 HG22 VAL 21 HG22 VAL 21 -5.538 -9.867 5.675 180 HG23 VAL 21 HG23 VAL 21 -4.776 -8.937 6.963 181 H ASP 22 H ASP 22 -3.063 -12.504 9.412 182 HA ASP 22 HA ASP 22 -1.436 -10.470 10.720 183 HB2 ASP 22 HB2 ASP 22 -1.736 -12.780 11.682 184 HB3 ASP 22 HB3 ASP 22 -0.773 -13.384 10.334 185 H GLU 23 H GLU 23 0.787 -10.320 10.264 186 HA GLU 23 HA GLU 23 1.557 -9.277 7.927 187 HB2 GLU 23 HB2 GLU 23 2.958 -10.347 10.191 188 HB3 GLU 23 HB3 GLU 23 3.832 -10.854 8.756 189 HG2 GLU 23 HG2 GLU 23 4.347 -8.683 8.129 190 HG3 GLU 23 HG3 GLU 23 2.948 -7.994 8.945 191 H SER 24 H SER 24 1.246 -12.771 8.402 192 HA SER 24 HA SER 24 2.782 -13.699 6.271 193 HB2 SER 24 HB2 SER 24 1.788 -15.188 7.937 194 HB3 SER 24 HB3 SER 24 0.176 -14.813 7.331 195 HG SER 24 HG SER 24 1.620 -16.742 6.522 196 H GLN 25 H GLN 25 -0.629 -12.580 6.252 197 HA GLN 25 HA GLN 25 -0.973 -13.137 3.448 198 HB2 GLN 25 HB2 GLN 25 -2.575 -11.523 5.431 199 HB3 GLN 25 HB3 GLN 25 -3.020 -11.678 3.734 200 HG2 GLN 25 HG2 GLN 25 -2.570 -14.028 5.576 201 HG3 GLN 25 HG3 GLN 25 -4.157 -13.346 5.222 202 HE21 GLN 25 HE21 GLN 25 -4.115 -12.899 2.476 203 HE22 GLN 25 HE22 GLN 25 -3.815 -14.360 1.655 204 H VAL 26 H VAL 26 0.394 -10.524 5.256 205 HA VAL 26 HA VAL 26 0.134 -8.615 3.048 206 HB VAL 26 HB VAL 26 1.411 -8.333 5.790 207 HG11 VAL 26 HG11 VAL 26 1.561 -5.980 5.362 208 HG12 VAL 26 HG12 VAL 26 0.635 -6.124 3.870 209 HG13 VAL 26 HG13 VAL 26 2.270 -6.776 3.958 210 HG21 VAL 26 HG21 VAL 26 -1.277 -7.451 4.693 211 HG22 VAL 26 HG22 VAL 26 -0.624 -6.940 6.248 212 HG23 VAL 26 HG23 VAL 26 -0.998 -8.641 5.965 213 H THR 27 H THR 27 1.636 -8.386 1.525 214 HA THR 27 HA THR 27 4.462 -8.841 2.138 215 HB THR 27 HB THR 27 3.347 -10.195 -0.313 216 HG1 THR 27 HG1 THR 27 3.845 -11.409 2.179 217 HG21 THR 27 HG21 THR 27 5.435 -11.477 -0.141 218 HG22 THR 27 HG22 THR 27 5.847 -10.618 1.341 219 HG23 THR 27 HG23 THR 27 5.773 -9.747 -0.188 220 H GLU 28 H GLU 28 5.856 -7.873 0.623 221 HA GLU 28 HA GLU 28 4.935 -5.475 -0.528 222 HB2 GLU 28 HB2 GLU 28 7.447 -7.098 -0.992 223 HB3 GLU 28 HB3 GLU 28 7.170 -5.516 -1.721 224 HG2 GLU 28 HG2 GLU 28 6.998 -4.467 0.448 225 HG3 GLU 28 HG3 GLU 28 7.020 -6.027 1.261 226 H GLU 29 H GLU 29 5.131 -8.761 -1.717 227 HA GLU 29 HA GLU 29 4.417 -7.893 -4.449 228 HB2 GLU 29 HB2 GLU 29 5.331 -10.592 -3.430 229 HB3 GLU 29 HB3 GLU 29 4.950 -10.213 -5.109 230 HG2 GLU 29 HG2 GLU 29 6.705 -8.456 -5.085 231 HG3 GLU 29 HG3 GLU 29 7.117 -8.912 -3.434 232 H ALA 30 H ALA 30 2.889 -8.906 -1.642 233 HA ALA 30 HA ALA 30 0.890 -10.620 -2.812 234 HB1 ALA 30 HB1 ALA 30 1.308 -9.363 -0.123 235 HB2 ALA 30 HB2 ALA 30 1.161 -11.068 -0.546 236 HB3 ALA 30 HB3 ALA 30 -0.269 -10.035 -0.535 237 H LYS 31 H LYS 31 -1.069 -10.092 -3.573 238 HA LYS 31 HA LYS 31 -1.613 -7.309 -4.168 239 HB2 LYS 31 HB2 LYS 31 -3.162 -9.844 -4.704 240 HB3 LYS 31 HB3 LYS 31 -3.664 -8.247 -5.250 241 HG2 LYS 31 HG2 LYS 31 -0.927 -9.327 -5.930 242 HG3 LYS 31 HG3 LYS 31 -2.336 -9.755 -6.901 243 HD2 LYS 31 HD2 LYS 31 -2.805 -7.236 -7.058 244 HD3 LYS 31 HD3 LYS 31 -1.180 -7.002 -6.415 245 HE2 LYS 31 HE2 LYS 31 -1.092 -6.938 -8.855 246 HE3 LYS 31 HE3 LYS 31 -0.280 -8.394 -8.282 247 HZ1 LYS 31 HZ1 LYS 31 -3.114 -8.736 -8.740 248 HZ2 LYS 31 HZ2 LYS 31 -1.803 -9.707 -9.225 249 HZ3 LYS 31 HZ3 LYS 31 -2.236 -8.344 -10.140 250 H LEU 32 H LEU 32 -2.965 -6.002 -3.086 251 HA LEU 32 HA LEU 32 -3.921 -6.674 -0.519 252 HB2 LEU 32 HB2 LEU 32 -4.506 -4.405 -2.416 253 HB3 LEU 32 HB3 LEU 32 -5.205 -4.491 -0.800 254 HG LEU 32 HG LEU 32 -2.210 -4.750 -1.228 255 HD11 LEU 32 HD11 LEU 32 -1.948 -2.390 -0.973 256 HD12 LEU 32 HD12 LEU 32 -3.645 -2.164 -0.545 257 HD13 LEU 32 HD13 LEU 32 -3.200 -2.576 -2.201 258 HD21 LEU 32 HD21 LEU 32 -2.853 -5.409 0.957 259 HD22 LEU 32 HD22 LEU 32 -4.061 -4.133 1.090 260 HD23 LEU 32 HD23 LEU 32 -2.345 -3.734 1.154 261 H ILE 33 H ILE 33 -5.507 -6.556 -3.696 262 HA ILE 33 HA ILE 33 -8.067 -7.293 -2.534 263 HB ILE 33 HB ILE 33 -7.945 -5.623 -4.343 264 HG12 ILE 33 HG12 ILE 33 -9.396 -8.091 -5.327 265 HG13 ILE 33 HG13 ILE 33 -9.950 -7.167 -3.931 266 HG21 ILE 33 HG21 ILE 33 -6.038 -6.789 -5.554 267 HG22 ILE 33 HG22 ILE 33 -7.344 -6.207 -6.587 268 HG23 ILE 33 HG23 ILE 33 -7.237 -7.920 -6.183 269 HD11 ILE 33 HD11 ILE 33 -9.555 -6.079 -6.738 270 HD12 ILE 33 HD12 ILE 33 -10.063 -5.129 -5.343 271 HD13 ILE 33 HD13 ILE 33 -11.106 -6.409 -5.965 272 H ASP 34 H ASP 34 -5.751 -8.791 -4.819 273 HA ASP 34 HA ASP 34 -7.312 -11.215 -4.996 274 HB2 ASP 34 HB2 ASP 34 -4.535 -10.601 -6.010 275 HB3 ASP 34 HB3 ASP 34 -5.489 -12.016 -6.431 276 H ASP 35 H ASP 35 -4.367 -10.264 -3.267 277 HA ASP 35 HA ASP 35 -4.044 -13.012 -2.273 278 HB2 ASP 35 HB2 ASP 35 -2.131 -11.648 -3.252 279 HB3 ASP 35 HB3 ASP 35 -2.196 -10.707 -1.763 280 H LEU 36 H LEU 36 -5.329 -10.010 -1.205 281 HA LEU 36 HA LEU 36 -5.242 -10.994 1.587 282 HB2 LEU 36 HB2 LEU 36 -4.795 -8.311 0.430 283 HB3 LEU 36 HB3 LEU 36 -5.764 -8.345 1.895 284 HG LEU 36 HG LEU 36 -3.139 -9.846 1.739 285 HD11 LEU 36 HD11 LEU 36 -2.548 -7.579 1.101 286 HD12 LEU 36 HD12 LEU 36 -2.081 -7.823 2.785 287 HD13 LEU 36 HD13 LEU 36 -3.542 -6.913 2.398 288 HD21 LEU 36 HD21 LEU 36 -4.661 -10.257 3.640 289 HD22 LEU 36 HD22 LEU 36 -4.683 -8.531 3.998 290 HD23 LEU 36 HD23 LEU 36 -3.187 -9.449 4.177 291 H GLY 37 H GLY 37 -7.212 -9.998 -1.095 292 HA2 GLY 37 HA2 GLY 37 -9.490 -10.409 -1.367 293 HA3 GLY 37 HA3 GLY 37 -9.592 -10.854 0.328 294 H ALA 38 H ALA 38 -8.144 -7.798 -0.518 295 HA ALA 38 HA ALA 38 -10.445 -6.414 0.697 296 HB1 ALA 38 HB1 ALA 38 -8.497 -5.709 1.793 297 HB2 ALA 38 HB2 ALA 38 -8.746 -4.441 0.593 298 HB3 ALA 38 HB3 ALA 38 -7.549 -5.703 0.306 299 H ASP 39 H ASP 39 -11.936 -5.963 -0.837 300 HA ASP 39 HA ASP 39 -11.277 -5.464 -3.563 301 HB2 ASP 39 HB2 ASP 39 -13.646 -5.078 -3.877 302 HB3 ASP 39 HB3 ASP 39 -13.420 -6.454 -2.808 303 H SER 40 H SER 40 -12.447 -3.429 -4.605 304 HA SER 40 HA SER 40 -10.849 -1.237 -4.209 305 HB2 SER 40 HB2 SER 40 -12.530 0.078 -5.424 306 HB3 SER 40 HB3 SER 40 -12.272 -1.495 -6.175 307 HG SER 40 HG SER 40 -14.265 -1.996 -5.728 308 H LEU 41 H LEU 41 -14.013 -1.815 -2.650 309 HA LEU 41 HA LEU 41 -14.179 0.698 -1.345 310 HB2 LEU 41 HB2 LEU 41 -16.100 -0.857 -1.524 311 HB3 LEU 41 HB3 LEU 41 -15.278 -1.996 -0.465 312 HG LEU 41 HG LEU 41 -15.273 -0.243 1.334 313 HD11 LEU 41 HD11 LEU 41 -16.934 1.257 -0.712 314 HD12 LEU 41 HD12 LEU 41 -15.438 1.793 0.052 315 HD13 LEU 41 HD13 LEU 41 -16.917 1.660 1.005 316 HD21 LEU 41 HD21 LEU 41 -17.629 -0.513 1.901 317 HD22 LEU 41 HD22 LEU 41 -17.041 -2.000 1.155 318 HD23 LEU 41 HD23 LEU 41 -18.023 -0.872 0.220 319 H ASP 42 H ASP 42 -12.927 -2.433 -0.326 320 HA ASP 42 HA ASP 42 -12.031 -1.738 2.245 321 HB2 ASP 42 HB2 ASP 42 -11.013 -3.806 0.283 322 HB3 ASP 42 HB3 ASP 42 -10.421 -3.671 1.931 323 H LEU 43 H LEU 43 -10.411 -1.577 -0.906 324 HA LEU 43 HA LEU 43 -7.860 -0.818 -0.021 325 HB2 LEU 43 HB2 LEU 43 -9.319 -0.318 -2.620 326 HB3 LEU 43 HB3 LEU 43 -7.634 0.127 -2.361 327 HG LEU 43 HG LEU 43 -8.672 -2.686 -1.921 328 HD11 LEU 43 HD11 LEU 43 -7.496 -3.117 -4.154 329 HD12 LEU 43 HD12 LEU 43 -7.522 -1.370 -4.394 330 HD13 LEU 43 HD13 LEU 43 -9.034 -2.263 -4.248 331 HD21 LEU 43 HD21 LEU 43 -5.936 -1.402 -2.145 332 HD22 LEU 43 HD22 LEU 43 -6.174 -3.140 -2.316 333 HD23 LEU 43 HD23 LEU 43 -6.585 -2.340 -0.799 334 H VAL 44 H VAL 44 -10.709 1.129 -0.900 335 HA VAL 44 HA VAL 44 -9.450 3.651 -0.740 336 HB VAL 44 HB VAL 44 -12.342 2.822 -0.358 337 HG11 VAL 44 HG11 VAL 44 -12.871 5.237 -0.795 338 HG12 VAL 44 HG12 VAL 44 -11.155 5.605 -0.618 339 HG13 VAL 44 HG13 VAL 44 -12.067 4.972 0.753 340 HG21 VAL 44 HG21 VAL 44 -11.051 4.263 -2.683 341 HG22 VAL 44 HG22 VAL 44 -12.618 3.456 -2.640 342 HG23 VAL 44 HG23 VAL 44 -11.136 2.504 -2.599 343 H ASP 45 H ASP 45 -11.218 1.755 1.695 344 HA ASP 45 HA ASP 45 -11.030 3.621 3.798 345 HB2 ASP 45 HB2 ASP 45 -11.319 0.614 3.784 346 HB3 ASP 45 HB3 ASP 45 -11.361 1.571 5.259 347 H LEU 46 H LEU 46 -8.893 0.973 2.806 348 HA LEU 46 HA LEU 46 -7.104 1.143 5.016 349 HB2 LEU 46 HB2 LEU 46 -6.733 0.076 2.205 350 HB3 LEU 46 HB3 LEU 46 -5.527 -0.087 3.478 351 HG LEU 46 HG LEU 46 -8.382 -1.047 3.785 352 HD11 LEU 46 HD11 LEU 46 -5.903 -2.491 2.819 353 HD12 LEU 46 HD12 LEU 46 -7.452 -2.343 1.990 354 HD13 LEU 46 HD13 LEU 46 -7.321 -3.335 3.441 355 HD21 LEU 46 HD21 LEU 46 -7.222 -2.471 5.558 356 HD22 LEU 46 HD22 LEU 46 -7.324 -0.748 5.905 357 HD23 LEU 46 HD23 LEU 46 -5.809 -1.441 5.329 358 H VAL 47 H VAL 47 -6.787 2.395 1.659 359 HA VAL 47 HA VAL 47 -4.356 3.715 2.139 360 HB VAL 47 HB VAL 47 -5.129 3.200 -0.136 361 HG11 VAL 47 HG11 VAL 47 -6.964 4.285 -1.163 362 HG12 VAL 47 HG12 VAL 47 -7.026 5.554 0.061 363 HG13 VAL 47 HG13 VAL 47 -7.561 3.923 0.452 364 HG21 VAL 47 HG21 VAL 47 -4.824 6.198 0.222 365 HG22 VAL 47 HG22 VAL 47 -4.361 5.233 -1.179 366 HG23 VAL 47 HG23 VAL 47 -3.482 5.059 0.341 367 H MET 48 H MET 48 -7.725 4.804 2.506 368 HA MET 48 HA MET 48 -7.261 7.522 2.984 369 HB2 MET 48 HB2 MET 48 -9.506 6.440 2.711 370 HB3 MET 48 HB3 MET 48 -9.325 5.734 4.312 371 HG2 MET 48 HG2 MET 48 -10.652 7.756 4.514 372 HG3 MET 48 HG3 MET 48 -9.072 8.054 5.242 373 HE1 MET 48 HE1 MET 48 -10.865 9.697 1.394 374 HE2 MET 48 HE2 MET 48 -11.543 8.562 2.559 375 HE3 MET 48 HE3 MET 48 -10.344 8.005 1.394 376 H ASP 49 H ASP 49 -7.319 4.747 5.205 377 HA ASP 49 HA ASP 49 -6.847 6.046 7.616 378 HB2 ASP 49 HB2 ASP 49 -7.209 3.513 7.127 379 HB3 ASP 49 HB3 ASP 49 -5.451 3.447 6.992 380 H PHE 50 H PHE 50 -4.569 5.140 5.059 381 HA PHE 50 HA PHE 50 -2.202 5.995 6.472 382 HB2 PHE 50 HB2 PHE 50 -2.554 5.756 3.476 383 HB3 PHE 50 HB3 PHE 50 -1.040 5.773 4.362 384 HD1 PHE 50 HD1 PHE 50 -2.171 3.694 2.360 385 HD2 PHE 50 HD2 PHE 50 -2.077 3.821 6.657 386 HE1 PHE 50 HE1 PHE 50 -2.259 1.227 2.434 387 HE2 PHE 50 HE2 PHE 50 -2.165 1.347 6.719 388 HZ PHE 50 HZ PHE 50 -2.267 0.058 4.607 389 H GLU 51 H GLU 51 -4.586 7.545 4.421 390 HA GLU 51 HA GLU 51 -3.174 9.818 3.582 391 HB2 GLU 51 HB2 GLU 51 -5.437 9.186 2.739 392 HB3 GLU 51 HB3 GLU 51 -6.123 9.663 4.287 393 HG2 GLU 51 HG2 GLU 51 -5.229 11.965 3.945 394 HG3 GLU 51 HG3 GLU 51 -4.662 11.476 2.357 395 H SER 52 H SER 52 -5.173 9.302 6.485 396 HA SER 52 HA SER 52 -4.616 11.903 7.568 397 HB2 SER 52 HB2 SER 52 -5.822 9.422 8.809 398 HB3 SER 52 HB3 SER 52 -5.709 10.981 9.621 399 HG SER 52 HG SER 52 -6.861 11.824 7.739 400 H GLU 53 H GLU 53 -3.399 8.641 8.121 401 HA GLU 53 HA GLU 53 -1.833 9.147 10.395 402 HB2 GLU 53 HB2 GLU 53 -2.327 6.878 9.539 403 HB3 GLU 53 HB3 GLU 53 -1.275 7.174 8.159 404 HG2 GLU 53 HG2 GLU 53 -0.054 5.903 9.853 405 HG3 GLU 53 HG3 GLU 53 0.637 7.516 9.716 406 H PHE 54 H PHE 54 -0.848 9.196 6.946 407 HA PHE 54 HA PHE 54 1.690 10.433 7.693 408 HB2 PHE 54 HB2 PHE 54 0.619 9.426 5.056 409 HB3 PHE 54 HB3 PHE 54 2.201 10.177 5.245 410 HD1 PHE 54 HD1 PHE 54 0.182 7.190 5.841 411 HD2 PHE 54 HD2 PHE 54 3.930 9.105 6.696 412 HE1 PHE 54 HE1 PHE 54 1.106 5.029 6.630 413 HE2 PHE 54 HE2 PHE 54 4.856 6.943 7.481 414 HZ PHE 54 HZ PHE 54 3.444 4.904 7.449 415 H GLY 55 H GLY 55 -1.365 11.616 6.997 416 HA2 GLY 55 HA2 GLY 55 -2.151 13.714 6.459 417 HA3 GLY 55 HA3 GLY 55 -0.546 14.302 6.877 418 H VAL 56 H VAL 56 -1.361 12.002 4.320 419 HA VAL 56 HA VAL 56 -0.702 14.038 2.279 420 HB VAL 56 HB VAL 56 0.645 12.353 1.043 421 HG11 VAL 56 HG11 VAL 56 1.601 14.046 2.705 422 HG12 VAL 56 HG12 VAL 56 2.625 12.662 2.319 423 HG13 VAL 56 HG13 VAL 56 1.732 12.700 3.836 424 HG21 VAL 56 HG21 VAL 56 -0.147 10.255 1.838 425 HG22 VAL 56 HG22 VAL 56 0.087 10.718 3.521 426 HG23 VAL 56 HG23 VAL 56 1.485 10.392 2.497 427 H LYS 57 H LYS 57 -1.925 13.965 0.475 428 HA LYS 57 HA LYS 57 -4.164 12.089 0.442 429 HB2 LYS 57 HB2 LYS 57 -4.464 14.569 0.103 430 HB3 LYS 57 HB3 LYS 57 -3.641 14.389 -1.446 431 HG2 LYS 57 HG2 LYS 57 -5.334 12.811 -2.217 432 HG3 LYS 57 HG3 LYS 57 -6.123 12.841 -0.641 433 HD2 LYS 57 HD2 LYS 57 -5.754 15.344 -2.300 434 HD3 LYS 57 HD3 LYS 57 -7.170 14.308 -2.470 435 HE2 LYS 57 HE2 LYS 57 -6.265 15.596 0.127 436 HE3 LYS 57 HE3 LYS 57 -7.578 16.183 -0.891 437 HZ1 LYS 57 HZ1 LYS 57 -7.431 13.613 0.578 438 HZ2 LYS 57 HZ2 LYS 57 -8.584 13.915 -0.634 439 HZ3 LYS 57 HZ3 LYS 57 -8.560 14.864 0.775 440 H VAL 58 H VAL 58 -4.560 10.567 -1.114 441 HA VAL 58 HA VAL 58 -2.307 9.975 -2.912 442 HB VAL 58 HB VAL 58 -3.335 7.742 -3.159 443 HG11 VAL 58 HG11 VAL 58 -2.640 6.936 -1.038 444 HG12 VAL 58 HG12 VAL 58 -3.167 8.399 -0.205 445 HG13 VAL 58 HG13 VAL 58 -1.741 8.438 -1.235 446 HG21 VAL 58 HG21 VAL 58 -5.704 8.487 -2.761 447 HG22 VAL 58 HG22 VAL 58 -5.315 8.702 -1.055 448 HG23 VAL 58 HG23 VAL 58 -5.247 7.095 -1.777 449 H ASP 59 H ASP 59 -2.496 9.805 -5.046 450 HA ASP 59 HA ASP 59 -4.691 11.145 -6.357 451 HB2 ASP 59 HB2 ASP 59 -2.256 11.284 -7.063 452 HB3 ASP 59 HB3 ASP 59 -2.416 9.631 -7.619 453 H ASP 60 H ASP 60 -6.341 10.250 -7.495 454 HA ASP 60 HA ASP 60 -7.189 7.611 -7.024 455 HB2 ASP 60 HB2 ASP 60 -7.831 9.500 -9.305 456 HB3 ASP 60 HB3 ASP 60 -8.631 7.947 -9.093 457 H ALA 61 H ALA 61 -5.190 9.035 -9.489 458 HA ALA 61 HA ALA 61 -4.868 6.758 -11.175 459 HB1 ALA 61 HB1 ALA 61 -2.693 8.770 -10.861 460 HB2 ALA 61 HB2 ALA 61 -4.228 9.303 -11.535 461 HB3 ALA 61 HB3 ALA 61 -3.313 8.018 -12.326 462 H ASP 62 H ASP 62 -3.144 7.989 -8.279 463 HA ASP 62 HA ASP 62 -1.000 6.147 -8.325 464 HB2 ASP 62 HB2 ASP 62 -2.310 7.584 -6.007 465 HB3 ASP 62 HB3 ASP 62 -0.929 6.524 -5.810 466 H LEU 63 H LEU 63 -4.279 5.968 -6.977 467 HA LEU 63 HA LEU 63 -4.005 3.545 -5.583 468 HB2 LEU 63 HB2 LEU 63 -6.396 4.714 -7.032 469 HB3 LEU 63 HB3 LEU 63 -6.485 3.295 -5.992 470 HG LEU 63 HG LEU 63 -5.393 5.963 -5.051 471 HD11 LEU 63 HD11 LEU 63 -7.545 6.432 -4.096 472 HD12 LEU 63 HD12 LEU 63 -8.157 4.838 -4.537 473 HD13 LEU 63 HD13 LEU 63 -7.824 6.031 -5.792 474 HD21 LEU 63 HD21 LEU 63 -6.353 3.465 -3.608 475 HD22 LEU 63 HD22 LEU 63 -5.902 4.971 -2.810 476 HD23 LEU 63 HD23 LEU 63 -4.692 4.048 -3.694 477 H GLU 64 H GLU 64 -4.814 4.182 -9.011 478 HA GLU 64 HA GLU 64 -5.154 1.483 -9.779 479 HB2 GLU 64 HB2 GLU 64 -5.868 3.508 -11.093 480 HB3 GLU 64 HB3 GLU 64 -4.172 3.775 -11.493 481 HG2 GLU 64 HG2 GLU 64 -4.060 1.535 -12.527 482 HG3 GLU 64 HG3 GLU 64 -5.755 1.266 -12.128 483 H LYS 65 H LYS 65 -2.334 3.548 -9.434 484 HA LYS 65 HA LYS 65 -0.468 1.767 -10.743 485 HB2 LYS 65 HB2 LYS 65 0.015 4.101 -8.868 486 HB3 LYS 65 HB3 LYS 65 1.249 3.288 -9.825 487 HG2 LYS 65 HG2 LYS 65 0.324 4.061 -11.877 488 HG3 LYS 65 HG3 LYS 65 -1.181 4.549 -11.108 489 HD2 LYS 65 HD2 LYS 65 0.552 6.088 -9.678 490 HD3 LYS 65 HD3 LYS 65 1.465 5.942 -11.172 491 HE2 LYS 65 HE2 LYS 65 -0.033 7.211 -12.374 492 HE3 LYS 65 HE3 LYS 65 -1.427 6.655 -11.444 493 HZ1 LYS 65 HZ1 LYS 65 -0.868 9.006 -10.996 494 HZ2 LYS 65 HZ2 LYS 65 0.658 8.514 -10.419 495 HZ3 LYS 65 HZ3 LYS 65 -0.753 8.032 -9.611 496 H ILE 66 H ILE 66 -1.976 1.781 -7.694 497 HA ILE 66 HA ILE 66 0.191 0.194 -6.445 498 HB ILE 66 HB ILE 66 -2.116 1.692 -5.169 499 HG12 ILE 66 HG12 ILE 66 0.860 2.205 -4.902 500 HG13 ILE 66 HG13 ILE 66 -0.128 2.996 -6.125 501 HG21 ILE 66 HG21 ILE 66 -0.117 0.901 -3.243 502 HG22 ILE 66 HG22 ILE 66 -0.624 -0.536 -4.125 503 HG23 ILE 66 HG23 ILE 66 -1.821 0.457 -3.310 504 HD11 ILE 66 HD11 ILE 66 -0.853 3.064 -3.192 505 HD12 ILE 66 HD12 ILE 66 -1.451 4.105 -4.484 506 HD13 ILE 66 HD13 ILE 66 0.211 4.268 -3.918 507 H SER 67 H SER 67 -0.077 -1.934 -6.642 508 HA SER 67 HA SER 67 -2.818 -3.047 -6.537 509 HB2 SER 67 HB2 SER 67 -0.286 -4.166 -7.755 510 HB3 SER 67 HB3 SER 67 -1.814 -5.037 -7.656 511 HG SER 67 HG SER 67 -1.406 -2.520 -8.913 512 H THR 68 H THR 68 0.531 -3.879 -5.613 513 HA THR 68 HA THR 68 -0.469 -5.612 -3.476 514 HB THR 68 HB THR 68 1.898 -6.354 -3.296 515 HG1 THR 68 HG1 THR 68 2.243 -4.502 -5.414 516 HG21 THR 68 HG21 THR 68 2.021 -7.460 -5.488 517 HG22 THR 68 HG22 THR 68 0.831 -6.330 -6.137 518 HG23 THR 68 HG23 THR 68 0.366 -7.478 -4.880 519 H VAL 69 H VAL 69 0.798 -5.591 -1.409 520 HA VAL 69 HA VAL 69 0.544 -3.085 -0.118 521 HB VAL 69 HB VAL 69 2.166 -5.484 0.780 522 HG11 VAL 69 HG11 VAL 69 2.611 -3.283 1.954 523 HG12 VAL 69 HG12 VAL 69 2.037 -4.583 2.995 524 HG13 VAL 69 HG13 VAL 69 0.928 -3.313 2.479 525 HG21 VAL 69 HG21 VAL 69 -0.627 -4.786 1.681 526 HG22 VAL 69 HG22 VAL 69 0.223 -6.323 1.827 527 HG23 VAL 69 HG23 VAL 69 -0.359 -5.786 0.254 528 H GLY 70 H GLY 70 3.167 -4.599 -1.856 529 HA2 GLY 70 HA2 GLY 70 5.364 -3.121 -0.883 530 HA3 GLY 70 HA3 GLY 70 5.253 -3.828 -2.496 531 H ASP 71 H ASP 71 3.008 -2.451 -3.447 532 HA ASP 71 HA ASP 71 4.151 -0.021 -4.348 533 HB2 ASP 71 HB2 ASP 71 1.340 -1.109 -4.479 534 HB3 ASP 71 HB3 ASP 71 1.835 0.402 -5.237 535 H ILE 72 H ILE 72 1.752 -0.808 -1.842 536 HA ILE 72 HA ILE 72 1.008 1.855 -1.152 537 HB ILE 72 HB ILE 72 1.111 -0.720 0.455 538 HG12 ILE 72 HG12 ILE 72 -0.513 -0.648 -1.419 539 HG13 ILE 72 HG13 ILE 72 -1.310 -0.752 0.143 540 HG21 ILE 72 HG21 ILE 72 1.275 1.126 2.055 541 HG22 ILE 72 HG22 ILE 72 -0.330 0.397 2.144 542 HG23 ILE 72 HG23 ILE 72 -0.105 1.931 1.302 543 HD11 ILE 72 HD11 ILE 72 -1.684 1.736 0.062 544 HD12 ILE 72 HD12 ILE 72 -2.500 0.868 -1.235 545 HD13 ILE 72 HD13 ILE 72 -1.010 1.745 -1.566 546 H VAL 73 H VAL 73 3.475 -0.341 0.176 547 HA VAL 73 HA VAL 73 4.552 1.401 2.084 548 HB VAL 73 HB VAL 73 5.755 -0.953 0.612 549 HG11 VAL 73 HG11 VAL 73 7.640 0.297 1.455 550 HG12 VAL 73 HG12 VAL 73 7.359 -1.029 2.582 551 HG13 VAL 73 HG13 VAL 73 6.825 0.601 2.990 552 HG21 VAL 73 HG21 VAL 73 4.714 -0.728 3.448 553 HG22 VAL 73 HG22 VAL 73 5.153 -2.201 2.580 554 HG23 VAL 73 HG23 VAL 73 3.730 -1.281 2.090 555 H SER 74 H SER 74 5.717 0.693 -1.221 556 HA SER 74 HA SER 74 7.885 2.493 -1.194 557 HB2 SER 74 HB2 SER 74 7.872 2.247 -3.627 558 HB3 SER 74 HB3 SER 74 7.626 0.686 -2.852 559 HG SER 74 HG SER 74 5.333 1.096 -3.143 560 H TYR 75 H TYR 75 4.488 2.922 -1.921 561 HA TYR 75 HA TYR 75 4.597 5.411 -3.206 562 HB2 TYR 75 HB2 TYR 75 2.597 3.970 -3.199 563 HB3 TYR 75 HB3 TYR 75 2.394 4.270 -1.473 564 HD1 TYR 75 HD1 TYR 75 2.451 5.897 -4.817 565 HD2 TYR 75 HD2 TYR 75 1.395 6.287 -0.674 566 HE1 TYR 75 HE1 TYR 75 1.252 8.005 -5.320 567 HE2 TYR 75 HE2 TYR 75 0.189 8.391 -1.179 568 HH TYR 75 HH TYR 75 -0.773 9.295 -4.133 569 H ILE 76 H ILE 76 4.167 4.613 0.235 570 HA ILE 76 HA ILE 76 3.902 7.287 1.103 571 HB ILE 76 HB ILE 76 4.840 4.891 2.707 572 HG12 ILE 76 HG12 ILE 76 2.064 6.059 2.309 573 HG13 ILE 76 HG13 ILE 76 2.647 4.624 1.507 574 HG21 ILE 76 HG21 ILE 76 5.284 7.027 3.847 575 HG22 ILE 76 HG22 ILE 76 3.896 6.251 4.608 576 HG23 ILE 76 HG23 ILE 76 3.653 7.587 3.486 577 HD11 ILE 76 HD11 ILE 76 2.685 3.347 3.466 578 HD12 ILE 76 HD12 ILE 76 1.235 4.328 3.679 579 HD13 ILE 76 HD13 ILE 76 2.727 4.768 4.509 580 H GLU 77 H GLU 77 6.708 5.164 0.814 581 HA GLU 77 HA GLU 77 8.598 6.810 2.093 582 HB2 GLU 77 HB2 GLU 77 8.871 4.748 -0.081 583 HB3 GLU 77 HB3 GLU 77 10.263 5.547 0.647 584 HG2 GLU 77 HG2 GLU 77 9.436 4.769 2.888 585 HG3 GLU 77 HG3 GLU 77 8.185 3.854 2.049 586 H LYS 78 H LYS 78 7.516 6.767 -1.308 587 HA LYS 78 HA LYS 78 9.452 8.812 -2.052 588 HB2 LYS 78 HB2 LYS 78 8.885 6.944 -3.584 589 HB3 LYS 78 HB3 LYS 78 7.230 7.541 -3.670 590 HG2 LYS 78 HG2 LYS 78 8.034 9.670 -4.616 591 HG3 LYS 78 HG3 LYS 78 9.699 9.097 -4.507 592 HD2 LYS 78 HD2 LYS 78 9.164 7.235 -6.037 593 HD3 LYS 78 HD3 LYS 78 7.499 7.808 -6.150 594 HE2 LYS 78 HE2 LYS 78 8.290 9.943 -7.093 595 HE3 LYS 78 HE3 LYS 78 9.958 9.383 -6.973 596 HZ1 LYS 78 HZ1 LYS 78 8.674 9.112 -9.184 597 HZ2 LYS 78 HZ2 LYS 78 7.973 7.766 -8.422 598 HZ3 LYS 78 HZ3 LYS 78 9.657 7.844 -8.633 599 H LYS 79 H LYS 79 5.963 8.545 -1.553 600 HA LYS 79 HA LYS 79 5.158 11.027 -2.562 601 HB2 LYS 79 HB2 LYS 79 3.664 9.117 -1.889 602 HB3 LYS 79 HB3 LYS 79 3.927 9.577 -0.210 603 HG2 LYS 79 HG2 LYS 79 1.881 10.627 -0.857 604 HG3 LYS 79 HG3 LYS 79 3.093 11.908 -0.875 605 HD2 LYS 79 HD2 LYS 79 3.302 11.789 -3.270 606 HD3 LYS 79 HD3 LYS 79 2.333 10.320 -3.340 607 HE2 LYS 79 HE2 LYS 79 0.388 11.604 -2.449 608 HE3 LYS 79 HE3 LYS 79 1.367 13.070 -2.510 609 HZ1 LYS 79 HZ1 LYS 79 0.527 11.359 -4.785 610 HZ2 LYS 79 HZ2 LYS 79 1.713 12.572 -4.920 611 HZ3 LYS 79 HZ3 LYS 79 0.118 12.982 -4.500 612 H LEU 80 H LEU 80 6.217 10.116 0.716 613 HA LEU 80 HA LEU 80 5.774 12.667 1.889 614 HB2 LEU 80 HB2 LEU 80 7.518 10.331 2.681 615 HB3 LEU 80 HB3 LEU 80 7.345 11.781 3.667 616 HG LEU 80 HG LEU 80 4.962 10.152 2.737 617 HD11 LEU 80 HD11 LEU 80 6.625 8.854 4.180 618 HD12 LEU 80 HD12 LEU 80 4.992 8.989 4.828 619 HD13 LEU 80 HD13 LEU 80 6.279 10.015 5.462 620 HD21 LEU 80 HD21 LEU 80 4.383 12.398 3.434 621 HD22 LEU 80 HD22 LEU 80 5.409 12.274 4.862 622 HD23 LEU 80 HD23 LEU 80 3.938 11.309 4.748 623 H GLY 81 H GLY 81 8.429 11.291 0.059 624 HA2 GLY 81 HA2 GLY 81 9.626 13.796 -0.476 625 HA3 GLY 81 HA3 GLY 81 10.528 12.988 0.803 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 12.567 8.997 12.669 2 H2 MET 1 HT2 MET 1 10.978 9.599 12.669 3 H3 MET 1 HT3 MET 1 12.280 10.630 13.023 4 HA MET 1 HA MET 1 11.563 11.073 10.799 5 HB2 MET 1 HB2 MET 1 14.166 9.598 11.186 6 HB3 MET 1 HB3 MET 1 13.715 10.186 9.588 7 HG2 MET 1 HG2 MET 1 13.795 11.936 12.063 8 HG3 MET 1 HG3 MET 1 15.125 11.804 10.913 9 HE1 MET 1 HE1 MET 1 14.929 14.648 10.230 10 HE2 MET 1 HE2 MET 1 14.150 14.263 11.762 11 HE3 MET 1 HE3 MET 1 13.311 15.272 10.586 12 H ALA 2 H ALA 2 11.683 10.126 8.506 13 HA ALA 2 HA ALA 2 9.845 7.983 8.300 14 HB1 ALA 2 HB1 ALA 2 10.413 8.090 5.850 15 HB2 ALA 2 HB2 ALA 2 11.638 9.295 6.248 16 HB3 ALA 2 HB3 ALA 2 9.934 9.636 6.554 17 H SER 3 H SER 3 10.106 5.853 7.670 18 HA SER 3 HA SER 3 12.662 4.750 7.004 19 HB2 SER 3 HB2 SER 3 12.793 4.948 9.519 20 HB3 SER 3 HB3 SER 3 11.431 3.835 9.612 21 HG SER 3 HG SER 3 14.013 3.398 8.530 22 H ARG 4 H ARG 4 12.393 2.749 5.947 23 HA ARG 4 HA ARG 4 9.911 2.152 4.858 24 HB2 ARG 4 HB2 ARG 4 12.087 1.396 3.934 25 HB3 ARG 4 HB3 ARG 4 12.246 0.261 5.273 26 HG2 ARG 4 HG2 ARG 4 10.228 -0.920 4.559 27 HG3 ARG 4 HG3 ARG 4 9.960 0.259 3.277 28 HD2 ARG 4 HD2 ARG 4 12.057 -0.392 2.201 29 HD3 ARG 4 HD3 ARG 4 12.404 -1.517 3.512 30 HE ARG 4 HE ARG 4 10.867 -3.006 2.595 31 HH11 ARG 4 HH11 ARG 4 10.537 0.117 1.034 32 HH12 ARG 4 HH12 ARG 4 9.464 -0.481 -0.188 33 HH21 ARG 4 HH21 ARG 4 9.452 -3.727 1.017 34 HH22 ARG 4 HH22 ARG 4 8.855 -2.644 -0.196 35 H GLU 5 H GLU 5 11.508 0.767 7.702 36 HA GLU 5 HA GLU 5 9.695 -1.294 8.274 37 HB2 GLU 5 HB2 GLU 5 10.456 -1.076 10.636 38 HB3 GLU 5 HB3 GLU 5 11.796 -1.128 9.494 39 HG2 GLU 5 HG2 GLU 5 11.818 1.397 9.555 40 HG3 GLU 5 HG3 GLU 5 10.654 1.330 10.866 41 H GLU 6 H GLU 6 9.650 2.122 9.167 42 HA GLU 6 HA GLU 6 7.416 2.026 10.841 43 HB2 GLU 6 HB2 GLU 6 8.616 4.263 9.206 44 HB3 GLU 6 HB3 GLU 6 7.239 4.509 10.277 45 HG2 GLU 6 HG2 GLU 6 9.853 3.282 11.187 46 HG3 GLU 6 HG3 GLU 6 9.488 5.001 11.326 47 H ILE 7 H ILE 7 7.693 2.464 7.340 48 HA ILE 7 HA ILE 7 4.961 3.128 6.870 49 HB ILE 7 HB ILE 7 6.858 1.722 4.968 50 HG12 ILE 7 HG12 ILE 7 7.969 3.764 5.741 51 HG13 ILE 7 HG13 ILE 7 7.395 3.998 4.099 52 HG21 ILE 7 HG21 ILE 7 4.530 1.713 4.231 53 HG22 ILE 7 HG22 ILE 7 5.467 2.821 3.230 54 HG23 ILE 7 HG23 ILE 7 4.417 3.451 4.497 55 HD11 ILE 7 HD11 ILE 7 6.655 5.970 4.976 56 HD12 ILE 7 HD12 ILE 7 6.507 5.320 6.610 57 HD13 ILE 7 HD13 ILE 7 5.262 4.978 5.409 58 H PHE 8 H PHE 8 6.694 0.072 6.238 59 HA PHE 8 HA PHE 8 4.527 -1.516 5.693 60 HB2 PHE 8 HB2 PHE 8 6.874 -2.189 5.370 61 HB3 PHE 8 HB3 PHE 8 7.077 -2.324 7.115 62 HD1 PHE 8 HD1 PHE 8 5.199 -3.694 4.201 63 HD2 PHE 8 HD2 PHE 8 6.388 -4.288 8.286 64 HE1 PHE 8 HE1 PHE 8 4.341 -6.021 4.113 65 HE2 PHE 8 HE2 PHE 8 5.531 -6.614 8.198 66 HZ PHE 8 HZ PHE 8 4.508 -7.479 6.111 67 H SER 9 H SER 9 5.970 -0.942 8.939 68 HA SER 9 HA SER 9 4.319 -2.718 10.351 69 HB2 SER 9 HB2 SER 9 5.648 -0.155 11.242 70 HB3 SER 9 HB3 SER 9 4.879 -1.301 12.336 71 HG SER 9 HG SER 9 6.519 -2.604 12.101 72 H LYS 10 H LYS 10 3.873 0.772 9.723 73 HA LYS 10 HA LYS 10 1.406 0.977 11.123 74 HB2 LYS 10 HB2 LYS 10 2.664 2.703 8.990 75 HB3 LYS 10 HB3 LYS 10 1.153 3.109 9.805 76 HG2 LYS 10 HG2 LYS 10 2.303 3.029 11.987 77 HG3 LYS 10 HG3 LYS 10 3.815 2.622 11.175 78 HD2 LYS 10 HD2 LYS 10 3.764 4.754 9.960 79 HD3 LYS 10 HD3 LYS 10 2.221 5.160 10.711 80 HE2 LYS 10 HE2 LYS 10 4.034 6.283 11.911 81 HE3 LYS 10 HE3 LYS 10 3.312 5.052 12.947 82 HZ1 LYS 10 HZ1 LYS 10 5.898 5.224 12.626 83 HZ2 LYS 10 HZ2 LYS 10 5.570 4.273 11.257 84 HZ3 LYS 10 HZ3 LYS 10 5.133 3.723 12.804 85 H VAL 11 H VAL 11 2.221 0.374 7.756 86 HA VAL 11 HA VAL 11 -0.367 0.540 6.672 87 HB VAL 11 HB VAL 11 2.114 -0.960 5.790 88 HG11 VAL 11 HG11 VAL 11 0.950 -1.074 3.537 89 HG12 VAL 11 HG12 VAL 11 -0.545 -0.629 4.359 90 HG13 VAL 11 HG13 VAL 11 0.264 -2.143 4.763 91 HG21 VAL 11 HG21 VAL 11 1.961 1.620 5.847 92 HG22 VAL 11 HG22 VAL 11 0.806 1.455 4.525 93 HG23 VAL 11 HG23 VAL 11 2.460 0.874 4.330 94 H LYS 12 H LYS 12 1.478 -2.185 7.998 95 HA LYS 12 HA LYS 12 -0.505 -4.161 7.567 96 HB2 LYS 12 HB2 LYS 12 1.886 -4.664 8.178 97 HB3 LYS 12 HB3 LYS 12 1.513 -4.126 9.818 98 HG2 LYS 12 HG2 LYS 12 -0.532 -5.900 9.444 99 HG3 LYS 12 HG3 LYS 12 0.682 -6.618 8.392 100 HD2 LYS 12 HD2 LYS 12 2.246 -6.822 10.223 101 HD3 LYS 12 HD3 LYS 12 1.210 -5.868 11.277 102 HE2 LYS 12 HE2 LYS 12 -0.248 -7.600 11.667 103 HE3 LYS 12 HE3 LYS 12 -0.025 -8.320 10.068 104 HZ1 LYS 12 HZ1 LYS 12 0.956 -9.644 11.891 105 HZ2 LYS 12 HZ2 LYS 12 2.010 -8.358 12.247 106 HZ3 LYS 12 HZ3 LYS 12 2.110 -9.154 10.751 107 H SER 13 H SER 13 0.072 -1.880 10.229 108 HA SER 13 HA SER 13 -1.648 -2.996 12.113 109 HB2 SER 13 HB2 SER 13 -0.948 -0.102 11.600 110 HB3 SER 13 HB3 SER 13 -1.810 -0.671 13.027 111 HG SER 13 HG SER 13 0.688 -0.500 12.901 112 H ILE 14 H ILE 14 -2.433 -0.716 9.464 113 HA ILE 14 HA ILE 14 -5.169 -0.471 10.303 114 HB ILE 14 HB ILE 14 -3.959 0.149 7.595 115 HG12 ILE 14 HG12 ILE 14 -2.763 1.422 9.315 116 HG13 ILE 14 HG13 ILE 14 -3.820 2.506 8.419 117 HG21 ILE 14 HG21 ILE 14 -5.879 1.509 7.192 118 HG22 ILE 14 HG22 ILE 14 -6.416 1.372 8.866 119 HG23 ILE 14 HG23 ILE 14 -6.497 -0.027 7.800 120 HD11 ILE 14 HD11 ILE 14 -5.499 1.841 10.445 121 HD12 ILE 14 HD12 ILE 14 -4.373 3.195 10.549 122 HD13 ILE 14 HD13 ILE 14 -3.955 1.644 11.274 123 H ILE 15 H ILE 15 -3.572 -2.213 7.610 124 HA ILE 15 HA ILE 15 -5.894 -3.408 6.586 125 HB ILE 15 HB ILE 15 -2.989 -4.273 6.437 126 HG12 ILE 15 HG12 ILE 15 -4.705 -2.893 4.354 127 HG13 ILE 15 HG13 ILE 15 -3.734 -1.996 5.517 128 HG21 ILE 15 HG21 ILE 15 -5.429 -5.222 4.886 129 HG22 ILE 15 HG22 ILE 15 -4.345 -6.209 5.868 130 HG23 ILE 15 HG23 ILE 15 -3.770 -5.505 4.356 131 HD11 ILE 15 HD11 ILE 15 -1.705 -3.196 4.713 132 HD12 ILE 15 HD12 ILE 15 -2.481 -2.269 3.430 133 HD13 ILE 15 HD13 ILE 15 -2.695 -4.018 3.505 134 H SER 16 H SER 16 -3.469 -4.796 8.802 135 HA SER 16 HA SER 16 -4.695 -7.312 9.101 136 HB2 SER 16 HB2 SER 16 -2.357 -6.977 9.667 137 HB3 SER 16 HB3 SER 16 -2.793 -5.829 10.929 138 HG SER 16 HG SER 16 -3.811 -8.468 10.907 139 H GLU 17 H GLU 17 -4.997 -4.358 10.985 140 HA GLU 17 HA GLU 17 -6.467 -5.457 13.144 141 HB2 GLU 17 HB2 GLU 17 -5.290 -3.326 13.324 142 HB3 GLU 17 HB3 GLU 17 -6.327 -2.619 12.092 143 HG2 GLU 17 HG2 GLU 17 -8.292 -2.942 13.559 144 HG3 GLU 17 HG3 GLU 17 -7.259 -3.662 14.787 145 H LYS 18 H LYS 18 -7.476 -3.881 10.126 146 HA LYS 18 HA LYS 18 -10.274 -4.169 10.857 147 HB2 LYS 18 HB2 LYS 18 -8.933 -2.953 8.439 148 HB3 LYS 18 HB3 LYS 18 -10.679 -2.983 8.692 149 HG2 LYS 18 HG2 LYS 18 -10.401 -1.758 10.815 150 HG3 LYS 18 HG3 LYS 18 -8.654 -1.734 10.578 151 HD2 LYS 18 HD2 LYS 18 -8.946 -0.439 8.501 152 HD3 LYS 18 HD3 LYS 18 -10.696 -0.470 8.725 153 HE2 LYS 18 HE2 LYS 18 -9.804 1.656 9.550 154 HE3 LYS 18 HE3 LYS 18 -10.412 0.704 10.904 155 HZ1 LYS 18 HZ1 LYS 18 -8.352 0.399 11.735 156 HZ2 LYS 18 HZ2 LYS 18 -7.997 1.814 10.857 157 HZ3 LYS 18 HZ3 LYS 18 -7.617 0.290 10.207 158 H LEU 19 H LEU 19 -7.968 -5.937 9.020 159 HA LEU 19 HA LEU 19 -10.077 -7.396 7.571 160 HB2 LEU 19 HB2 LEU 19 -8.144 -6.468 6.280 161 HB3 LEU 19 HB3 LEU 19 -7.078 -7.535 7.189 162 HG LEU 19 HG LEU 19 -8.374 -9.485 6.352 163 HD11 LEU 19 HD11 LEU 19 -10.527 -8.530 5.850 164 HD12 LEU 19 HD12 LEU 19 -9.835 -9.042 4.309 165 HD13 LEU 19 HD13 LEU 19 -9.810 -7.339 4.765 166 HD21 LEU 19 HD21 LEU 19 -7.400 -7.734 4.086 167 HD22 LEU 19 HD22 LEU 19 -7.366 -9.496 4.172 168 HD23 LEU 19 HD23 LEU 19 -6.313 -8.541 5.218 169 H GLY 20 H GLY 20 -7.766 -7.734 10.146 170 HA2 GLY 20 HA2 GLY 20 -7.501 -9.408 11.717 171 HA3 GLY 20 HA3 GLY 20 -8.853 -10.257 10.972 172 H VAL 21 H VAL 21 -5.780 -9.178 9.549 173 HA VAL 21 HA VAL 21 -5.058 -12.027 9.068 174 HB VAL 21 HB VAL 21 -4.795 -9.809 7.022 175 HG11 VAL 21 HG11 VAL 21 -4.085 -12.753 7.027 176 HG12 VAL 21 HG12 VAL 21 -3.033 -11.382 6.681 177 HG13 VAL 21 HG13 VAL 21 -4.288 -11.841 5.532 178 HG21 VAL 21 HG21 VAL 21 -6.607 -10.856 5.837 179 HG22 VAL 21 HG22 VAL 21 -7.156 -10.704 7.505 180 HG23 VAL 21 HG23 VAL 21 -6.586 -12.258 6.905 181 H ASP 22 H ASP 22 -2.892 -12.543 9.144 182 HA ASP 22 HA ASP 22 -1.181 -10.545 10.387 183 HB2 ASP 22 HB2 ASP 22 -1.471 -13.116 10.992 184 HB3 ASP 22 HB3 ASP 22 -0.202 -13.292 9.782 185 H GLU 23 H GLU 23 0.812 -9.989 9.686 186 HA GLU 23 HA GLU 23 1.152 -9.137 7.143 187 HB2 GLU 23 HB2 GLU 23 3.504 -8.801 7.598 188 HB3 GLU 23 HB3 GLU 23 2.557 -8.432 9.031 189 HG2 GLU 23 HG2 GLU 23 3.009 -10.885 9.716 190 HG3 GLU 23 HG3 GLU 23 4.263 -10.840 8.478 191 H SER 24 H SER 24 1.486 -12.484 8.051 192 HA SER 24 HA SER 24 3.377 -13.380 6.192 193 HB2 SER 24 HB2 SER 24 2.386 -14.839 7.917 194 HB3 SER 24 HB3 SER 24 0.829 -14.757 7.100 195 HG SER 24 HG SER 24 1.744 -16.558 6.298 196 H GLN 25 H GLN 25 -0.080 -12.688 5.865 197 HA GLN 25 HA GLN 25 -0.278 -13.429 3.085 198 HB2 GLN 25 HB2 GLN 25 -2.011 -11.772 4.918 199 HB3 GLN 25 HB3 GLN 25 -2.400 -12.042 3.222 200 HG2 GLN 25 HG2 GLN 25 -1.871 -14.297 5.155 201 HG3 GLN 25 HG3 GLN 25 -3.486 -13.661 4.849 202 HE21 GLN 25 HE21 GLN 25 -3.660 -13.306 2.149 203 HE22 GLN 25 HE22 GLN 25 -3.306 -14.746 1.314 204 H VAL 26 H VAL 26 0.869 -10.680 4.824 205 HA VAL 26 HA VAL 26 0.574 -8.790 2.665 206 HB VAL 26 HB VAL 26 1.987 -8.569 5.332 207 HG11 VAL 26 HG11 VAL 26 2.761 -6.975 3.486 208 HG12 VAL 26 HG12 VAL 26 2.156 -6.222 4.959 209 HG13 VAL 26 HG13 VAL 26 1.134 -6.300 3.527 210 HG21 VAL 26 HG21 VAL 26 -0.664 -7.381 4.469 211 HG22 VAL 26 HG22 VAL 26 0.023 -7.402 6.094 212 HG23 VAL 26 HG23 VAL 26 -0.532 -8.904 5.351 213 H THR 27 H THR 27 1.957 -8.578 1.040 214 HA THR 27 HA THR 27 4.820 -9.046 1.460 215 HB THR 27 HB THR 27 3.529 -10.281 -0.965 216 HG1 THR 27 HG1 THR 27 4.105 -11.536 1.494 217 HG21 THR 27 HG21 THR 27 5.604 -11.599 -0.979 218 HG22 THR 27 HG22 THR 27 6.123 -10.802 0.506 219 HG23 THR 27 HG23 THR 27 5.961 -9.872 -0.984 220 H GLU 28 H GLU 28 6.120 -8.022 -0.103 221 HA GLU 28 HA GLU 28 5.157 -5.578 -1.103 222 HB2 GLU 28 HB2 GLU 28 7.584 -7.230 -1.833 223 HB3 GLU 28 HB3 GLU 28 7.282 -5.619 -2.483 224 HG2 GLU 28 HG2 GLU 28 7.259 -4.677 -0.227 225 HG3 GLU 28 HG3 GLU 28 7.470 -6.282 0.468 226 H GLU 29 H GLU 29 5.221 -8.821 -2.429 227 HA GLU 29 HA GLU 29 4.290 -7.836 -5.054 228 HB2 GLU 29 HB2 GLU 29 5.367 -10.540 -4.235 229 HB3 GLU 29 HB3 GLU 29 4.794 -10.133 -5.851 230 HG2 GLU 29 HG2 GLU 29 6.994 -8.613 -4.429 231 HG3 GLU 29 HG3 GLU 29 7.297 -9.941 -5.549 232 H ALA 30 H ALA 30 2.944 -8.898 -2.197 233 HA ALA 30 HA ALA 30 0.900 -10.622 -3.324 234 HB1 ALA 30 HB1 ALA 30 1.508 -9.545 -0.593 235 HB2 ALA 30 HB2 ALA 30 1.342 -11.220 -1.120 236 HB3 ALA 30 HB3 ALA 30 -0.090 -10.208 -0.934 237 H LYS 31 H LYS 31 -1.124 -10.064 -3.890 238 HA LYS 31 HA LYS 31 -1.731 -7.249 -4.243 239 HB2 LYS 31 HB2 LYS 31 -3.321 -9.744 -4.835 240 HB3 LYS 31 HB3 LYS 31 -3.809 -8.113 -5.284 241 HG2 LYS 31 HG2 LYS 31 -1.131 -9.204 -6.148 242 HG3 LYS 31 HG3 LYS 31 -2.591 -9.587 -7.059 243 HD2 LYS 31 HD2 LYS 31 -3.044 -7.062 -7.106 244 HD3 LYS 31 HD3 LYS 31 -1.385 -6.862 -6.543 245 HE2 LYS 31 HE2 LYS 31 -1.431 -6.716 -8.980 246 HE3 LYS 31 HE3 LYS 31 -0.599 -8.195 -8.502 247 HZ1 LYS 31 HZ1 LYS 31 -3.461 -8.492 -8.822 248 HZ2 LYS 31 HZ2 LYS 31 -2.189 -9.470 -9.390 249 HZ3 LYS 31 HZ3 LYS 31 -2.644 -8.079 -10.252 250 H LEU 32 H LEU 32 -3.000 -6.055 -2.949 251 HA LEU 32 HA LEU 32 -3.815 -6.993 -0.412 252 HB2 LEU 32 HB2 LEU 32 -4.496 -4.521 -1.996 253 HB3 LEU 32 HB3 LEU 32 -5.108 -4.800 -0.366 254 HG LEU 32 HG LEU 32 -2.148 -4.963 -1.007 255 HD11 LEU 32 HD11 LEU 32 -3.564 -2.539 0.136 256 HD12 LEU 32 HD12 LEU 32 -3.214 -2.697 -1.586 257 HD13 LEU 32 HD13 LEU 32 -1.895 -2.667 -0.418 258 HD21 LEU 32 HD21 LEU 32 -2.120 -4.323 1.501 259 HD22 LEU 32 HD22 LEU 32 -2.649 -5.955 1.100 260 HD23 LEU 32 HD23 LEU 32 -3.838 -4.717 1.495 261 H ILE 33 H ILE 33 -5.583 -6.611 -3.473 262 HA ILE 33 HA ILE 33 -8.063 -7.445 -2.200 263 HB ILE 33 HB ILE 33 -8.077 -5.644 -3.878 264 HG12 ILE 33 HG12 ILE 33 -9.611 -8.031 -4.925 265 HG13 ILE 33 HG13 ILE 33 -10.041 -7.232 -3.413 266 HG21 ILE 33 HG21 ILE 33 -7.538 -7.797 -5.936 267 HG22 ILE 33 HG22 ILE 33 -6.278 -6.726 -5.323 268 HG23 ILE 33 HG23 ILE 33 -7.655 -6.057 -6.198 269 HD11 ILE 33 HD11 ILE 33 -11.367 -6.313 -5.269 270 HD12 ILE 33 HD12 ILE 33 -9.889 -5.907 -6.141 271 HD13 ILE 33 HD13 ILE 33 -10.276 -5.083 -4.630 272 H ASP 34 H ASP 34 -5.864 -8.760 -4.696 273 HA ASP 34 HA ASP 34 -7.444 -11.168 -4.970 274 HB2 ASP 34 HB2 ASP 34 -4.731 -10.476 -6.102 275 HB3 ASP 34 HB3 ASP 34 -5.710 -11.860 -6.564 276 H ASP 35 H ASP 35 -4.473 -10.302 -3.260 277 HA ASP 35 HA ASP 35 -4.034 -13.121 -2.537 278 HB2 ASP 35 HB2 ASP 35 -2.195 -11.536 -3.393 279 HB3 ASP 35 HB3 ASP 35 -2.239 -10.850 -1.770 280 H LEU 36 H LEU 36 -5.302 -10.215 -1.172 281 HA LEU 36 HA LEU 36 -5.205 -11.456 1.514 282 HB2 LEU 36 HB2 LEU 36 -4.749 -8.673 0.613 283 HB3 LEU 36 HB3 LEU 36 -5.705 -8.846 2.079 284 HG LEU 36 HG LEU 36 -3.081 -10.311 1.732 285 HD11 LEU 36 HD11 LEU 36 -2.445 -8.021 1.411 286 HD12 LEU 36 HD12 LEU 36 -2.107 -8.387 3.102 287 HD13 LEU 36 HD13 LEU 36 -3.549 -7.468 2.669 288 HD21 LEU 36 HD21 LEU 36 -4.780 -9.419 4.078 289 HD22 LEU 36 HD22 LEU 36 -3.154 -10.077 4.258 290 HD23 LEU 36 HD23 LEU 36 -4.439 -11.074 3.572 291 H GLY 37 H GLY 37 -7.221 -10.241 -1.038 292 HA2 GLY 37 HA2 GLY 37 -9.512 -10.633 -1.269 293 HA3 GLY 37 HA3 GLY 37 -9.579 -11.129 0.414 294 H ALA 38 H ALA 38 -8.059 -8.094 -0.362 295 HA ALA 38 HA ALA 38 -10.163 -6.673 1.088 296 HB1 ALA 38 HB1 ALA 38 -7.555 -6.359 1.297 297 HB2 ALA 38 HB2 ALA 38 -8.626 -4.960 1.392 298 HB3 ALA 38 HB3 ALA 38 -7.774 -5.318 -0.110 299 H ASP 39 H ASP 39 -11.870 -6.280 -0.114 300 HA ASP 39 HA ASP 39 -11.946 -5.918 -2.896 301 HB2 ASP 39 HB2 ASP 39 -13.899 -6.559 -1.482 302 HB3 ASP 39 HB3 ASP 39 -13.965 -4.904 -0.882 303 H SER 40 H SER 40 -12.577 -3.996 -4.098 304 HA SER 40 HA SER 40 -10.825 -1.896 -3.903 305 HB2 SER 40 HB2 SER 40 -12.324 -0.645 -5.387 306 HB3 SER 40 HB3 SER 40 -12.159 -2.324 -5.899 307 HG SER 40 HG SER 40 -14.143 -2.764 -4.941 308 H LEU 41 H LEU 41 -14.074 -2.057 -2.438 309 HA LEU 41 HA LEU 41 -14.149 0.627 -1.522 310 HB2 LEU 41 HB2 LEU 41 -16.144 -0.849 -1.537 311 HB3 LEU 41 HB3 LEU 41 -15.410 -1.853 -0.293 312 HG LEU 41 HG LEU 41 -15.363 0.150 1.222 313 HD11 LEU 41 HD11 LEU 41 -16.921 2.046 0.551 314 HD12 LEU 41 HD12 LEU 41 -16.881 1.393 -1.087 315 HD13 LEU 41 HD13 LEU 41 -15.398 1.981 -0.338 316 HD21 LEU 41 HD21 LEU 41 -18.077 -0.614 0.104 317 HD22 LEU 41 HD22 LEU 41 -17.795 0.128 1.678 318 HD23 LEU 41 HD23 LEU 41 -17.188 -1.495 1.347 319 H ASP 42 H ASP 42 -13.098 -2.379 -0.003 320 HA ASP 42 HA ASP 42 -12.222 -1.325 2.449 321 HB2 ASP 42 HB2 ASP 42 -11.323 -3.756 0.897 322 HB3 ASP 42 HB3 ASP 42 -10.747 -3.379 2.520 323 H LEU 43 H LEU 43 -10.538 -1.708 -0.655 324 HA LEU 43 HA LEU 43 -7.958 -0.999 0.194 325 HB2 LEU 43 HB2 LEU 43 -9.328 -0.705 -2.485 326 HB3 LEU 43 HB3 LEU 43 -7.626 -0.333 -2.227 327 HG LEU 43 HG LEU 43 -8.862 -3.023 -1.566 328 HD11 LEU 43 HD11 LEU 43 -9.060 -2.953 -3.909 329 HD12 LEU 43 HD12 LEU 43 -7.469 -3.669 -3.694 330 HD13 LEU 43 HD13 LEU 43 -7.616 -1.963 -4.106 331 HD21 LEU 43 HD21 LEU 43 -6.027 -1.962 -1.750 332 HD22 LEU 43 HD22 LEU 43 -6.404 -3.683 -1.733 333 HD23 LEU 43 HD23 LEU 43 -6.820 -2.681 -0.348 334 H VAL 44 H VAL 44 -10.675 0.980 -0.959 335 HA VAL 44 HA VAL 44 -9.291 3.433 -1.082 336 HB VAL 44 HB VAL 44 -12.218 2.807 -0.591 337 HG11 VAL 44 HG11 VAL 44 -10.875 5.465 -1.172 338 HG12 VAL 44 HG12 VAL 44 -11.845 5.055 0.241 339 HG13 VAL 44 HG13 VAL 44 -12.608 5.182 -1.345 340 HG21 VAL 44 HG21 VAL 44 -12.488 3.188 -2.934 341 HG22 VAL 44 HG22 VAL 44 -11.078 2.141 -2.776 342 HG23 VAL 44 HG23 VAL 44 -10.867 3.865 -3.081 343 H ASP 45 H ASP 45 -11.147 1.912 1.541 344 HA ASP 45 HA ASP 45 -10.839 3.978 3.437 345 HB2 ASP 45 HB2 ASP 45 -11.328 1.015 3.737 346 HB3 ASP 45 HB3 ASP 45 -11.302 2.122 5.104 347 H LEU 46 H LEU 46 -8.861 1.116 2.730 348 HA LEU 46 HA LEU 46 -7.087 1.344 4.931 349 HB2 LEU 46 HB2 LEU 46 -6.746 0.117 2.187 350 HB3 LEU 46 HB3 LEU 46 -5.543 -0.023 3.466 351 HG LEU 46 HG LEU 46 -8.433 -0.835 3.852 352 HD11 LEU 46 HD11 LEU 46 -7.453 -3.199 3.614 353 HD12 LEU 46 HD12 LEU 46 -6.065 -2.425 2.848 354 HD13 LEU 46 HD13 LEU 46 -7.666 -2.281 2.123 355 HD21 LEU 46 HD21 LEU 46 -7.338 -2.229 5.674 356 HD22 LEU 46 HD22 LEU 46 -7.298 -0.488 5.937 357 HD23 LEU 46 HD23 LEU 46 -5.856 -1.325 5.365 358 H VAL 47 H VAL 47 -6.681 2.436 1.532 359 HA VAL 47 HA VAL 47 -4.208 3.684 1.975 360 HB VAL 47 HB VAL 47 -5.004 3.148 -0.287 361 HG11 VAL 47 HG11 VAL 47 -7.380 3.746 -0.000 362 HG12 VAL 47 HG12 VAL 47 -6.689 4.625 -1.361 363 HG13 VAL 47 HG13 VAL 47 -6.945 5.443 0.179 364 HG21 VAL 47 HG21 VAL 47 -4.585 6.136 0.038 365 HG22 VAL 47 HG22 VAL 47 -4.211 5.160 -1.382 366 HG23 VAL 47 HG23 VAL 47 -3.289 4.941 0.107 367 H MET 48 H MET 48 -7.532 4.899 2.320 368 HA MET 48 HA MET 48 -6.960 7.607 2.729 369 HB2 MET 48 HB2 MET 48 -9.243 6.623 2.434 370 HB3 MET 48 HB3 MET 48 -9.128 5.957 4.062 371 HG2 MET 48 HG2 MET 48 -10.354 8.042 4.192 372 HG3 MET 48 HG3 MET 48 -8.767 8.297 4.918 373 HE1 MET 48 HE1 MET 48 -10.344 10.488 4.456 374 HE2 MET 48 HE2 MET 48 -9.786 11.632 3.238 375 HE3 MET 48 HE3 MET 48 -8.684 11.094 4.504 376 H ASP 49 H ASP 49 -7.138 4.898 5.034 377 HA ASP 49 HA ASP 49 -6.706 6.284 7.402 378 HB2 ASP 49 HB2 ASP 49 -7.162 3.778 7.107 379 HB3 ASP 49 HB3 ASP 49 -5.420 3.598 6.875 380 H PHE 50 H PHE 50 -4.353 5.177 5.001 381 HA PHE 50 HA PHE 50 -2.068 6.167 6.514 382 HB2 PHE 50 HB2 PHE 50 -1.934 5.627 3.559 383 HB3 PHE 50 HB3 PHE 50 -0.680 5.439 4.773 384 HD1 PHE 50 HD1 PHE 50 -2.185 3.539 2.561 385 HD2 PHE 50 HD2 PHE 50 -2.035 3.765 6.851 386 HE1 PHE 50 HE1 PHE 50 -2.754 1.138 2.706 387 HE2 PHE 50 HE2 PHE 50 -2.603 1.359 6.986 388 HZ PHE 50 HZ PHE 50 -2.972 0.051 4.912 389 H GLU 51 H GLU 51 -4.303 7.410 4.173 390 HA GLU 51 HA GLU 51 -2.847 9.524 3.034 391 HB2 GLU 51 HB2 GLU 51 -5.102 8.652 2.284 392 HB3 GLU 51 HB3 GLU 51 -5.814 9.530 3.634 393 HG2 GLU 51 HG2 GLU 51 -4.848 11.637 2.764 394 HG3 GLU 51 HG3 GLU 51 -4.191 10.748 1.391 395 H SER 52 H SER 52 -4.837 9.364 5.979 396 HA SER 52 HA SER 52 -4.228 12.145 6.644 397 HB2 SER 52 HB2 SER 52 -5.739 11.818 8.519 398 HB3 SER 52 HB3 SER 52 -6.493 11.205 7.050 399 HG SER 52 HG SER 52 -6.188 9.175 7.727 400 H GLU 53 H GLU 53 -3.349 8.896 7.635 401 HA GLU 53 HA GLU 53 -2.078 9.471 10.075 402 HB2 GLU 53 HB2 GLU 53 -2.560 7.168 9.278 403 HB3 GLU 53 HB3 GLU 53 -1.306 7.345 8.055 404 HG2 GLU 53 HG2 GLU 53 -0.398 6.137 9.975 405 HG3 GLU 53 HG3 GLU 53 0.372 7.714 9.855 406 H PHE 54 H PHE 54 -0.704 9.306 6.770 407 HA PHE 54 HA PHE 54 1.831 10.381 7.710 408 HB2 PHE 54 HB2 PHE 54 0.833 9.499 5.001 409 HB3 PHE 54 HB3 PHE 54 2.437 10.184 5.255 410 HD1 PHE 54 HD1 PHE 54 0.242 7.299 5.846 411 HD2 PHE 54 HD2 PHE 54 4.113 8.991 6.619 412 HE1 PHE 54 HE1 PHE 54 1.054 5.088 6.620 413 HE2 PHE 54 HE2 PHE 54 4.926 6.781 7.392 414 HZ PHE 54 HZ PHE 54 3.396 4.828 7.392 415 H GLY 55 H GLY 55 -1.050 11.859 7.005 416 HA2 GLY 55 HA2 GLY 55 -1.631 14.036 6.524 417 HA3 GLY 55 HA3 GLY 55 0.036 14.456 6.904 418 H VAL 56 H VAL 56 -1.031 12.260 4.360 419 HA VAL 56 HA VAL 56 -0.176 14.220 2.314 420 HB VAL 56 HB VAL 56 0.879 12.362 1.046 421 HG11 VAL 56 HG11 VAL 56 2.368 13.701 2.335 422 HG12 VAL 56 HG12 VAL 56 2.815 12.029 2.676 423 HG13 VAL 56 HG13 VAL 56 1.857 12.942 3.843 424 HG21 VAL 56 HG21 VAL 56 1.408 10.266 2.441 425 HG22 VAL 56 HG22 VAL 56 -0.244 10.410 1.838 426 HG23 VAL 56 HG23 VAL 56 0.115 10.796 3.519 427 H LYS 57 H LYS 57 -1.209 14.087 0.324 428 HA LYS 57 HA LYS 57 -3.790 12.654 0.365 429 HB2 LYS 57 HB2 LYS 57 -3.766 15.157 0.062 430 HB3 LYS 57 HB3 LYS 57 -2.926 14.907 -1.465 431 HG2 LYS 57 HG2 LYS 57 -5.216 15.073 -2.066 432 HG3 LYS 57 HG3 LYS 57 -4.875 13.344 -2.092 433 HD2 LYS 57 HD2 LYS 57 -5.815 13.113 0.176 434 HD3 LYS 57 HD3 LYS 57 -6.137 14.847 0.225 435 HE2 LYS 57 HE2 LYS 57 -8.192 13.747 -0.396 436 HE3 LYS 57 HE3 LYS 57 -7.565 14.548 -1.838 437 HZ1 LYS 57 HZ1 LYS 57 -7.038 11.703 -1.186 438 HZ2 LYS 57 HZ2 LYS 57 -6.707 12.508 -2.645 439 HZ3 LYS 57 HZ3 LYS 57 -8.315 12.212 -2.182 440 H VAL 58 H VAL 58 -4.376 11.223 -1.276 441 HA VAL 58 HA VAL 58 -2.230 10.571 -3.209 442 HB VAL 58 HB VAL 58 -3.100 8.266 -3.211 443 HG11 VAL 58 HG11 VAL 58 -1.375 9.237 -1.485 444 HG12 VAL 58 HG12 VAL 58 -2.039 7.626 -1.218 445 HG13 VAL 58 HG13 VAL 58 -2.671 9.003 -0.316 446 HG21 VAL 58 HG21 VAL 58 -4.797 7.555 -1.616 447 HG22 VAL 58 HG22 VAL 58 -5.459 8.882 -2.570 448 HG23 VAL 58 HG23 VAL 58 -4.890 9.176 -0.926 449 H ASP 59 H ASP 59 -2.719 10.153 -5.275 450 HA ASP 59 HA ASP 59 -5.280 11.233 -6.228 451 HB2 ASP 59 HB2 ASP 59 -4.119 10.807 -8.567 452 HB3 ASP 59 HB3 ASP 59 -3.735 12.212 -7.607 453 H ASP 60 H ASP 60 -6.634 10.283 -7.644 454 HA ASP 60 HA ASP 60 -7.209 7.543 -7.289 455 HB2 ASP 60 HB2 ASP 60 -7.982 9.465 -9.503 456 HB3 ASP 60 HB3 ASP 60 -8.603 7.822 -9.399 457 H ALA 61 H ALA 61 -5.080 9.290 -9.419 458 HA ALA 61 HA ALA 61 -4.548 7.239 -11.334 459 HB1 ALA 61 HB1 ALA 61 -2.243 8.553 -11.368 460 HB2 ALA 61 HB2 ALA 61 -3.157 9.730 -10.425 461 HB3 ALA 61 HB3 ALA 61 -3.703 9.280 -12.039 462 H ASP 62 H ASP 62 -3.109 8.152 -8.200 463 HA ASP 62 HA ASP 62 -1.045 6.215 -8.166 464 HB2 ASP 62 HB2 ASP 62 -2.477 7.647 -5.923 465 HB3 ASP 62 HB3 ASP 62 -1.144 6.536 -5.652 466 H LEU 63 H LEU 63 -4.423 6.134 -7.072 467 HA LEU 63 HA LEU 63 -4.410 3.699 -5.713 468 HB2 LEU 63 HB2 LEU 63 -6.468 5.246 -7.232 469 HB3 LEU 63 HB3 LEU 63 -6.843 3.567 -6.877 470 HG LEU 63 HG LEU 63 -7.736 5.089 -5.145 471 HD11 LEU 63 HD11 LEU 63 -6.819 2.740 -4.627 472 HD12 LEU 63 HD12 LEU 63 -7.084 3.829 -3.265 473 HD13 LEU 63 HD13 LEU 63 -5.453 3.574 -3.887 474 HD21 LEU 63 HD21 LEU 63 -5.874 6.805 -5.405 475 HD22 LEU 63 HD22 LEU 63 -4.868 5.743 -4.420 476 HD23 LEU 63 HD23 LEU 63 -6.338 6.442 -3.743 477 H GLU 64 H GLU 64 -4.855 4.319 -9.207 478 HA GLU 64 HA GLU 64 -5.112 1.628 -9.986 479 HB2 GLU 64 HB2 GLU 64 -4.228 4.105 -11.469 480 HB3 GLU 64 HB3 GLU 64 -4.434 2.537 -12.250 481 HG2 GLU 64 HG2 GLU 64 -6.771 2.461 -11.633 482 HG3 GLU 64 HG3 GLU 64 -6.603 3.902 -10.636 483 H LYS 65 H LYS 65 -2.302 3.676 -9.419 484 HA LYS 65 HA LYS 65 -0.403 1.852 -10.614 485 HB2 LYS 65 HB2 LYS 65 0.003 4.219 -8.771 486 HB3 LYS 65 HB3 LYS 65 1.306 3.307 -9.523 487 HG2 LYS 65 HG2 LYS 65 0.193 3.844 -11.770 488 HG3 LYS 65 HG3 LYS 65 -0.796 5.002 -10.884 489 HD2 LYS 65 HD2 LYS 65 2.237 5.008 -10.822 490 HD3 LYS 65 HD3 LYS 65 1.291 5.987 -11.936 491 HE2 LYS 65 HE2 LYS 65 0.972 6.127 -8.922 492 HE3 LYS 65 HE3 LYS 65 2.042 7.191 -9.832 493 HZ1 LYS 65 HZ1 LYS 65 0.099 8.407 -9.727 494 HZ2 LYS 65 HZ2 LYS 65 -0.886 7.039 -9.867 495 HZ3 LYS 65 HZ3 LYS 65 -0.071 7.630 -11.230 496 H ILE 66 H ILE 66 -2.077 1.901 -7.646 497 HA ILE 66 HA ILE 66 0.010 0.276 -6.322 498 HB ILE 66 HB ILE 66 -2.308 1.783 -5.084 499 HG12 ILE 66 HG12 ILE 66 0.667 2.326 -4.828 500 HG13 ILE 66 HG13 ILE 66 -0.342 3.119 -6.031 501 HG21 ILE 66 HG21 ILE 66 -0.909 -0.452 -4.025 502 HG22 ILE 66 HG22 ILE 66 -1.948 0.665 -3.152 503 HG23 ILE 66 HG23 ILE 66 -0.213 0.952 -3.220 504 HD11 ILE 66 HD11 ILE 66 -0.689 3.241 -3.020 505 HD12 ILE 66 HD12 ILE 66 -1.820 3.937 -4.180 506 HD13 ILE 66 HD13 ILE 66 -0.173 4.558 -4.073 507 H SER 67 H SER 67 -0.274 -1.837 -6.557 508 HA SER 67 HA SER 67 -3.023 -2.929 -6.377 509 HB2 SER 67 HB2 SER 67 -0.590 -4.022 -7.804 510 HB3 SER 67 HB3 SER 67 -2.121 -4.877 -7.640 511 HG SER 67 HG SER 67 -1.886 -3.655 -9.615 512 H THR 68 H THR 68 0.383 -3.784 -5.710 513 HA THR 68 HA THR 68 -0.475 -5.592 -3.572 514 HB THR 68 HB THR 68 1.890 -6.352 -3.584 515 HG1 THR 68 HG1 THR 68 2.753 -4.329 -4.264 516 HG21 THR 68 HG21 THR 68 1.827 -7.438 -5.757 517 HG22 THR 68 HG22 THR 68 0.701 -6.229 -6.370 518 HG23 THR 68 HG23 THR 68 0.186 -7.358 -5.117 519 H VAL 69 H VAL 69 0.942 -5.650 -1.615 520 HA VAL 69 HA VAL 69 0.788 -3.218 -0.189 521 HB VAL 69 HB VAL 69 2.505 -5.635 0.445 522 HG11 VAL 69 HG11 VAL 69 1.347 -3.737 2.476 523 HG12 VAL 69 HG12 VAL 69 2.884 -3.376 1.694 524 HG13 VAL 69 HG13 VAL 69 2.707 -4.844 2.638 525 HG21 VAL 69 HG21 VAL 69 -0.092 -5.905 0.104 526 HG22 VAL 69 HG22 VAL 69 -0.194 -5.092 1.665 527 HG23 VAL 69 HG23 VAL 69 0.673 -6.619 1.521 528 H GLY 70 H GLY 70 3.314 -4.638 -2.174 529 HA2 GLY 70 HA2 GLY 70 5.550 -3.174 -1.279 530 HA3 GLY 70 HA3 GLY 70 5.339 -3.798 -2.915 531 H ASP 71 H ASP 71 3.026 -2.405 -3.633 532 HA ASP 71 HA ASP 71 4.075 0.079 -4.492 533 HB2 ASP 71 HB2 ASP 71 1.269 -1.035 -4.462 534 HB3 ASP 71 HB3 ASP 71 1.686 0.524 -5.164 535 H ILE 72 H ILE 72 1.852 -0.853 -1.868 536 HA ILE 72 HA ILE 72 1.151 1.776 -1.023 537 HB ILE 72 HB ILE 72 1.311 -0.865 0.465 538 HG12 ILE 72 HG12 ILE 72 -0.387 -0.720 -1.335 539 HG13 ILE 72 HG13 ILE 72 -1.124 -0.868 0.252 540 HG21 ILE 72 HG21 ILE 72 1.497 0.732 2.220 541 HG22 ILE 72 HG22 ILE 72 -0.213 0.301 2.167 542 HG23 ILE 72 HG23 ILE 72 0.335 1.822 1.460 543 HD11 ILE 72 HD11 ILE 72 -0.874 1.678 -1.389 544 HD12 ILE 72 HD12 ILE 72 -1.477 1.625 0.265 545 HD13 ILE 72 HD13 ILE 72 -2.357 0.801 -1.019 546 H VAL 73 H VAL 73 3.670 -0.473 0.116 547 HA VAL 73 HA VAL 73 4.827 1.204 2.048 548 HB VAL 73 HB VAL 73 5.967 -1.087 0.428 549 HG11 VAL 73 HG11 VAL 73 7.720 -1.243 2.183 550 HG12 VAL 73 HG12 VAL 73 7.122 0.251 2.902 551 HG13 VAL 73 HG13 VAL 73 7.836 0.274 1.290 552 HG21 VAL 73 HG21 VAL 73 5.086 -1.003 3.321 553 HG22 VAL 73 HG22 VAL 73 5.433 -2.426 2.340 554 HG23 VAL 73 HG23 VAL 73 4.003 -1.452 2.003 555 H SER 74 H SER 74 5.842 0.617 -1.329 556 HA SER 74 HA SER 74 8.004 2.422 -1.345 557 HB2 SER 74 HB2 SER 74 6.268 1.441 -3.614 558 HB3 SER 74 HB3 SER 74 7.773 2.329 -3.821 559 HG SER 74 HG SER 74 7.531 -0.232 -3.566 560 H TYR 75 H TYR 75 4.590 2.853 -2.075 561 HA TYR 75 HA TYR 75 4.702 5.385 -3.244 562 HB2 TYR 75 HB2 TYR 75 2.710 3.967 -3.350 563 HB3 TYR 75 HB3 TYR 75 2.483 4.128 -1.610 564 HD1 TYR 75 HD1 TYR 75 2.580 6.036 -4.812 565 HD2 TYR 75 HD2 TYR 75 1.397 6.036 -0.686 566 HE1 TYR 75 HE1 TYR 75 1.347 8.152 -5.166 567 HE2 TYR 75 HE2 TYR 75 0.158 8.148 -1.040 568 HH TYR 75 HH TYR 75 -0.774 9.282 -3.880 569 H ILE 76 H ILE 76 4.173 4.503 0.176 570 HA ILE 76 HA ILE 76 3.919 7.176 1.062 571 HB ILE 76 HB ILE 76 4.736 4.748 2.684 572 HG12 ILE 76 HG12 ILE 76 2.009 5.982 2.169 573 HG13 ILE 76 HG13 ILE 76 2.591 4.539 1.386 574 HG21 ILE 76 HG21 ILE 76 3.745 6.115 4.552 575 HG22 ILE 76 HG22 ILE 76 3.559 7.460 3.430 576 HG23 ILE 76 HG23 ILE 76 5.170 6.880 3.849 577 HD11 ILE 76 HD11 ILE 76 2.622 3.291 3.410 578 HD12 ILE 76 HD12 ILE 76 1.086 4.157 3.417 579 HD13 ILE 76 HD13 ILE 76 2.432 4.741 4.394 580 H GLU 77 H GLU 77 6.690 5.003 0.876 581 HA GLU 77 HA GLU 77 8.562 6.608 2.229 582 HB2 GLU 77 HB2 GLU 77 8.880 4.540 0.062 583 HB3 GLU 77 HB3 GLU 77 10.254 5.308 0.856 584 HG2 GLU 77 HG2 GLU 77 9.338 4.537 3.052 585 HG3 GLU 77 HG3 GLU 77 8.073 3.677 2.176 586 H LYS 78 H LYS 78 7.586 6.573 -1.192 587 HA LYS 78 HA LYS 78 9.580 8.571 -1.895 588 HB2 LYS 78 HB2 LYS 78 7.454 7.129 -3.482 589 HB3 LYS 78 HB3 LYS 78 8.531 8.344 -4.174 590 HG2 LYS 78 HG2 LYS 78 10.487 7.007 -3.473 591 HG3 LYS 78 HG3 LYS 78 9.406 5.789 -2.792 592 HD2 LYS 78 HD2 LYS 78 8.432 5.385 -5.009 593 HD3 LYS 78 HD3 LYS 78 9.465 6.633 -5.704 594 HE2 LYS 78 HE2 LYS 78 10.455 4.435 -6.115 595 HE3 LYS 78 HE3 LYS 78 11.466 5.335 -4.986 596 HZ1 LYS 78 HZ1 LYS 78 10.745 2.876 -4.505 597 HZ2 LYS 78 HZ2 LYS 78 9.352 3.633 -3.890 598 HZ3 LYS 78 HZ3 LYS 78 10.881 4.010 -3.252 599 H LYS 79 H LYS 79 6.109 8.416 -1.343 600 HA LYS 79 HA LYS 79 5.353 10.871 -2.485 601 HB2 LYS 79 HB2 LYS 79 3.802 9.043 -1.701 602 HB3 LYS 79 HB3 LYS 79 4.103 9.577 -0.051 603 HG2 LYS 79 HG2 LYS 79 2.092 10.672 -0.723 604 HG3 LYS 79 HG3 LYS 79 3.351 11.903 -0.836 605 HD2 LYS 79 HD2 LYS 79 3.520 11.612 -3.228 606 HD3 LYS 79 HD3 LYS 79 2.463 10.203 -3.184 607 HE2 LYS 79 HE2 LYS 79 0.618 11.655 -2.346 608 HE3 LYS 79 HE3 LYS 79 1.680 13.052 -2.507 609 HZ1 LYS 79 HZ1 LYS 79 0.675 11.277 -4.660 610 HZ2 LYS 79 HZ2 LYS 79 1.953 12.377 -4.892 611 HZ3 LYS 79 HZ3 LYS 79 0.407 12.942 -4.473 612 H LEU 80 H LEU 80 6.445 10.050 0.802 613 HA LEU 80 HA LEU 80 6.098 12.656 1.888 614 HB2 LEU 80 HB2 LEU 80 7.789 10.301 2.739 615 HB3 LEU 80 HB3 LEU 80 7.677 11.792 3.670 616 HG LEU 80 HG LEU 80 5.234 10.196 2.847 617 HD11 LEU 80 HD11 LEU 80 5.261 9.147 5.010 618 HD12 LEU 80 HD12 LEU 80 6.619 10.139 5.540 619 HD13 LEU 80 HD13 LEU 80 6.861 8.900 4.309 620 HD21 LEU 80 HD21 LEU 80 4.283 11.464 4.832 621 HD22 LEU 80 HD22 LEU 80 4.714 12.477 3.457 622 HD23 LEU 80 HD23 LEU 80 5.777 12.400 4.862 623 H GLY 81 H GLY 81 8.680 11.141 0.059 624 HA2 GLY 81 HA2 GLY 81 9.927 13.587 -0.601 625 HA3 GLY 81 HA3 GLY 81 10.828 12.825 0.706 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 12.151 9.351 12.359 2 H2 MET 1 HT2 MET 1 10.895 10.271 11.679 3 H3 MET 1 HT3 MET 1 12.279 11.042 12.294 4 HA MET 1 HA MET 1 12.473 11.039 9.941 5 HB2 MET 1 HB2 MET 1 14.500 10.485 11.335 6 HB3 MET 1 HB3 MET 1 14.170 8.778 11.045 7 HG2 MET 1 HG2 MET 1 14.353 9.152 8.612 8 HG3 MET 1 HG3 MET 1 14.679 10.861 8.898 9 HE1 MET 1 HE1 MET 1 16.395 11.828 10.039 10 HE2 MET 1 HE2 MET 1 18.027 11.212 10.287 11 HE3 MET 1 HE3 MET 1 16.774 10.869 11.477 12 H ALA 2 H ALA 2 12.172 10.029 7.963 13 HA ALA 2 HA ALA 2 10.170 8.039 7.796 14 HB1 ALA 2 HB1 ALA 2 12.108 8.985 5.673 15 HB2 ALA 2 HB2 ALA 2 10.540 9.707 6.029 16 HB3 ALA 2 HB3 ALA 2 10.631 8.069 5.381 17 H SER 3 H SER 3 10.251 5.874 7.262 18 HA SER 3 HA SER 3 12.704 4.529 6.651 19 HB2 SER 3 HB2 SER 3 12.821 3.114 8.616 20 HB3 SER 3 HB3 SER 3 12.890 4.795 9.133 21 HG SER 3 HG SER 3 11.392 3.433 10.319 22 H ARG 4 H ARG 4 12.268 2.532 5.673 23 HA ARG 4 HA ARG 4 9.681 2.073 4.705 24 HB2 ARG 4 HB2 ARG 4 12.137 0.326 4.861 25 HB3 ARG 4 HB3 ARG 4 10.642 -0.230 4.110 26 HG2 ARG 4 HG2 ARG 4 11.907 2.404 3.317 27 HG3 ARG 4 HG3 ARG 4 12.415 0.886 2.577 28 HD2 ARG 4 HD2 ARG 4 9.519 1.766 2.681 29 HD3 ARG 4 HD3 ARG 4 10.581 2.139 1.333 30 HE ARG 4 HE ARG 4 9.486 -0.473 2.017 31 HH11 ARG 4 HH11 ARG 4 11.834 1.332 0.123 32 HH12 ARG 4 HH12 ARG 4 12.078 0.040 -1.007 33 HH21 ARG 4 HH21 ARG 4 9.855 -2.130 0.530 34 HH22 ARG 4 HH22 ARG 4 10.966 -1.898 -0.780 35 H GLU 5 H GLU 5 11.367 0.763 7.506 36 HA GLU 5 HA GLU 5 9.593 -1.295 8.193 37 HB2 GLU 5 HB2 GLU 5 10.411 -0.961 10.529 38 HB3 GLU 5 HB3 GLU 5 11.719 -1.067 9.356 39 HG2 GLU 5 HG2 GLU 5 11.738 1.466 9.295 40 HG3 GLU 5 HG3 GLU 5 10.614 1.455 10.642 41 H GLU 6 H GLU 6 9.561 2.147 9.000 42 HA GLU 6 HA GLU 6 7.303 2.059 10.651 43 HB2 GLU 6 HB2 GLU 6 8.690 4.251 9.133 44 HB3 GLU 6 HB3 GLU 6 7.168 4.577 9.961 45 HG2 GLU 6 HG2 GLU 6 9.467 3.227 11.382 46 HG3 GLU 6 HG3 GLU 6 9.351 4.985 11.285 47 H ILE 7 H ILE 7 7.641 2.509 7.158 48 HA ILE 7 HA ILE 7 4.892 3.172 6.720 49 HB ILE 7 HB ILE 7 6.809 1.913 4.739 50 HG12 ILE 7 HG12 ILE 7 7.867 3.942 5.616 51 HG13 ILE 7 HG13 ILE 7 7.281 4.255 3.990 52 HG21 ILE 7 HG21 ILE 7 5.372 2.995 3.069 53 HG22 ILE 7 HG22 ILE 7 4.354 3.646 4.353 54 HG23 ILE 7 HG23 ILE 7 4.430 1.904 4.086 55 HD11 ILE 7 HD11 ILE 7 5.131 5.131 5.293 56 HD12 ILE 7 HD12 ILE 7 6.539 6.169 5.076 57 HD13 ILE 7 HD13 ILE 7 6.286 5.333 6.607 58 H PHE 8 H PHE 8 6.686 0.164 5.969 59 HA PHE 8 HA PHE 8 4.521 -1.431 5.392 60 HB2 PHE 8 HB2 PHE 8 6.869 -2.071 5.004 61 HB3 PHE 8 HB3 PHE 8 7.107 -2.258 6.737 62 HD1 PHE 8 HD1 PHE 8 5.204 -3.561 3.809 63 HD2 PHE 8 HD2 PHE 8 6.440 -4.258 7.865 64 HE1 PHE 8 HE1 PHE 8 4.363 -5.890 3.666 65 HE2 PHE 8 HE2 PHE 8 5.601 -6.586 7.720 66 HZ PHE 8 HZ PHE 8 4.563 -7.403 5.622 67 H SER 9 H SER 9 6.024 -0.948 8.622 68 HA SER 9 HA SER 9 4.426 -2.782 10.020 69 HB2 SER 9 HB2 SER 9 6.446 -1.802 10.980 70 HB3 SER 9 HB3 SER 9 5.688 -0.213 10.999 71 HG SER 9 HG SER 9 4.811 -2.537 12.382 72 H LYS 10 H LYS 10 3.948 0.728 9.546 73 HA LYS 10 HA LYS 10 1.513 0.865 11.008 74 HB2 LYS 10 HB2 LYS 10 2.636 2.684 8.865 75 HB3 LYS 10 HB3 LYS 10 1.239 3.064 9.872 76 HG2 LYS 10 HG2 LYS 10 3.951 2.364 11.027 77 HG3 LYS 10 HG3 LYS 10 3.464 4.021 10.679 78 HD2 LYS 10 HD2 LYS 10 1.509 3.723 12.198 79 HD3 LYS 10 HD3 LYS 10 2.087 2.101 12.586 80 HE2 LYS 10 HE2 LYS 10 3.684 4.645 13.010 81 HE3 LYS 10 HE3 LYS 10 2.799 3.795 14.276 82 HZ1 LYS 10 HZ1 LYS 10 5.331 3.146 13.046 83 HZ2 LYS 10 HZ2 LYS 10 4.272 1.820 13.174 84 HZ3 LYS 10 HZ3 LYS 10 4.710 2.697 14.560 85 H VAL 11 H VAL 11 2.261 0.357 7.612 86 HA VAL 11 HA VAL 11 -0.345 0.538 6.562 87 HB VAL 11 HB VAL 11 2.134 -0.938 5.634 88 HG11 VAL 11 HG11 VAL 11 0.337 -2.152 4.597 89 HG12 VAL 11 HG12 VAL 11 0.924 -1.016 3.383 90 HG13 VAL 11 HG13 VAL 11 -0.560 -0.671 4.267 91 HG21 VAL 11 HG21 VAL 11 0.798 1.448 4.348 92 HG22 VAL 11 HG22 VAL 11 2.474 0.914 4.216 93 HG23 VAL 11 HG23 VAL 11 1.903 1.661 5.706 94 H LYS 12 H LYS 12 1.526 -2.200 7.815 95 HA LYS 12 HA LYS 12 -0.455 -4.179 7.409 96 HB2 LYS 12 HB2 LYS 12 1.935 -4.691 7.905 97 HB3 LYS 12 HB3 LYS 12 1.675 -4.130 9.554 98 HG2 LYS 12 HG2 LYS 12 -0.391 -6.069 8.868 99 HG3 LYS 12 HG3 LYS 12 1.189 -6.743 8.485 100 HD2 LYS 12 HD2 LYS 12 1.954 -6.516 10.717 101 HD3 LYS 12 HD3 LYS 12 0.643 -5.423 11.146 102 HE2 LYS 12 HE2 LYS 12 -0.756 -7.137 11.645 103 HE3 LYS 12 HE3 LYS 12 -0.338 -8.041 10.187 104 HZ1 LYS 12 HZ1 LYS 12 0.341 -8.828 12.626 105 HZ2 LYS 12 HZ2 LYS 12 1.710 -7.879 12.267 106 HZ3 LYS 12 HZ3 LYS 12 1.280 -9.175 11.261 107 H SER 13 H SER 13 0.156 -1.909 10.066 108 HA SER 13 HA SER 13 -1.509 -3.039 11.993 109 HB2 SER 13 HB2 SER 13 0.022 -1.188 12.470 110 HB3 SER 13 HB3 SER 13 -0.949 -0.112 11.471 111 HG SER 13 HG SER 13 -1.575 0.128 13.605 112 H ILE 14 H ILE 14 -2.371 -0.746 9.372 113 HA ILE 14 HA ILE 14 -5.094 -0.515 10.247 114 HB ILE 14 HB ILE 14 -3.920 0.059 7.512 115 HG12 ILE 14 HG12 ILE 14 -2.720 1.368 9.204 116 HG13 ILE 14 HG13 ILE 14 -3.779 2.428 8.286 117 HG21 ILE 14 HG21 ILE 14 -6.459 -0.124 7.741 118 HG22 ILE 14 HG22 ILE 14 -5.848 1.395 7.087 119 HG23 ILE 14 HG23 ILE 14 -6.372 1.305 8.768 120 HD11 ILE 14 HD11 ILE 14 -5.449 1.790 10.339 121 HD12 ILE 14 HD12 ILE 14 -4.351 3.168 10.388 122 HD13 ILE 14 HD13 ILE 14 -3.894 1.652 11.161 123 H ILE 15 H ILE 15 -3.526 -2.292 7.576 124 HA ILE 15 HA ILE 15 -5.831 -3.511 6.551 125 HB ILE 15 HB ILE 15 -2.913 -4.344 6.462 126 HG12 ILE 15 HG12 ILE 15 -4.611 -3.033 4.320 127 HG13 ILE 15 HG13 ILE 15 -3.689 -2.093 5.492 128 HG21 ILE 15 HG21 ILE 15 -3.503 -5.749 4.545 129 HG22 ILE 15 HG22 ILE 15 -5.195 -5.278 4.683 130 HG23 ILE 15 HG23 ILE 15 -4.450 -6.263 5.941 131 HD11 ILE 15 HD11 ILE 15 -1.612 -2.935 4.698 132 HD12 ILE 15 HD12 ILE 15 -2.540 -2.582 3.241 133 HD13 ILE 15 HD13 ILE 15 -2.392 -4.245 3.809 134 H SER 16 H SER 16 -3.433 -4.819 8.823 135 HA SER 16 HA SER 16 -4.623 -7.339 9.192 136 HB2 SER 16 HB2 SER 16 -2.290 -6.942 9.724 137 HB3 SER 16 HB3 SER 16 -2.741 -5.774 10.961 138 HG SER 16 HG SER 16 -2.580 -8.453 11.118 139 H GLU 17 H GLU 17 -4.921 -4.344 10.986 140 HA GLU 17 HA GLU 17 -6.392 -5.359 13.184 141 HB2 GLU 17 HB2 GLU 17 -5.190 -3.245 13.303 142 HB3 GLU 17 HB3 GLU 17 -6.208 -2.558 12.045 143 HG2 GLU 17 HG2 GLU 17 -8.185 -2.813 13.518 144 HG3 GLU 17 HG3 GLU 17 -7.157 -3.484 14.777 145 H LYS 18 H LYS 18 -7.390 -3.882 10.116 146 HA LYS 18 HA LYS 18 -10.182 -4.071 10.875 147 HB2 LYS 18 HB2 LYS 18 -8.818 -3.011 8.400 148 HB3 LYS 18 HB3 LYS 18 -10.570 -3.010 8.634 149 HG2 LYS 18 HG2 LYS 18 -10.305 -1.690 10.696 150 HG3 LYS 18 HG3 LYS 18 -8.555 -1.700 10.486 151 HD2 LYS 18 HD2 LYS 18 -8.787 -0.484 8.362 152 HD3 LYS 18 HD3 LYS 18 -10.544 -0.498 8.537 153 HE2 LYS 18 HE2 LYS 18 -9.652 1.657 9.296 154 HE3 LYS 18 HE3 LYS 18 -10.324 0.769 10.662 155 HZ1 LYS 18 HZ1 LYS 18 -8.284 0.405 11.556 156 HZ2 LYS 18 HZ2 LYS 18 -7.932 1.852 10.736 157 HZ3 LYS 18 HZ3 LYS 18 -7.496 0.361 10.053 158 H LEU 19 H LEU 19 -7.953 -6.040 9.124 159 HA LEU 19 HA LEU 19 -10.184 -7.525 7.872 160 HB2 LEU 19 HB2 LEU 19 -7.221 -7.659 7.264 161 HB3 LEU 19 HB3 LEU 19 -8.481 -8.570 6.438 162 HG LEU 19 HG LEU 19 -8.321 -5.537 6.527 163 HD11 LEU 19 HD11 LEU 19 -7.811 -7.322 4.137 164 HD12 LEU 19 HD12 LEU 19 -6.510 -6.820 5.215 165 HD13 LEU 19 HD13 LEU 19 -7.432 -5.609 4.324 166 HD21 LEU 19 HD21 LEU 19 -9.989 -5.783 4.610 167 HD22 LEU 19 HD22 LEU 19 -10.614 -6.226 6.198 168 HD23 LEU 19 HD23 LEU 19 -10.135 -7.484 5.058 169 H GLY 20 H GLY 20 -7.795 -7.718 10.364 170 HA2 GLY 20 HA2 GLY 20 -7.433 -9.333 11.979 171 HA3 GLY 20 HA3 GLY 20 -8.801 -10.229 11.319 172 H VAL 21 H VAL 21 -5.845 -9.144 9.686 173 HA VAL 21 HA VAL 21 -5.094 -11.988 9.241 174 HB VAL 21 HB VAL 21 -4.890 -9.774 7.183 175 HG11 VAL 21 HG11 VAL 21 -4.437 -11.786 5.687 176 HG12 VAL 21 HG12 VAL 21 -4.266 -12.734 7.161 177 HG13 VAL 21 HG13 VAL 21 -3.165 -11.395 6.844 178 HG21 VAL 21 HG21 VAL 21 -6.852 -12.078 7.474 179 HG22 VAL 21 HG22 VAL 21 -6.646 -11.157 5.984 180 HG23 VAL 21 HG23 VAL 21 -7.233 -10.356 7.441 181 H ASP 22 H ASP 22 -2.937 -12.486 9.385 182 HA ASP 22 HA ASP 22 -1.213 -10.387 10.450 183 HB2 ASP 22 HB2 ASP 22 -1.259 -13.349 10.587 184 HB3 ASP 22 HB3 ASP 22 0.324 -12.575 10.663 185 H GLU 23 H GLU 23 0.907 -10.152 9.876 186 HA GLU 23 HA GLU 23 1.566 -9.303 7.431 187 HB2 GLU 23 HB2 GLU 23 3.306 -10.620 9.500 188 HB3 GLU 23 HB3 GLU 23 3.997 -9.997 8.002 189 HG2 GLU 23 HG2 GLU 23 3.197 -7.783 8.459 190 HG3 GLU 23 HG3 GLU 23 2.227 -8.359 9.803 191 H SER 24 H SER 24 1.488 -12.739 8.262 192 HA SER 24 HA SER 24 3.097 -13.817 6.285 193 HB2 SER 24 HB2 SER 24 1.677 -15.818 6.423 194 HB3 SER 24 HB3 SER 24 1.989 -15.159 8.025 195 HG SER 24 HG SER 24 -0.353 -15.155 6.488 196 H GLN 25 H GLN 25 -0.166 -12.515 6.010 197 HA GLN 25 HA GLN 25 -0.432 -13.288 3.210 198 HB2 GLN 25 HB2 GLN 25 -2.169 -11.679 5.072 199 HB3 GLN 25 HB3 GLN 25 -2.565 -11.977 3.383 200 HG2 GLN 25 HG2 GLN 25 -1.962 -14.205 5.331 201 HG3 GLN 25 HG3 GLN 25 -3.596 -13.613 5.041 202 HE21 GLN 25 HE21 GLN 25 -3.824 -13.279 2.357 203 HE22 GLN 25 HE22 GLN 25 -3.446 -14.713 1.518 204 H VAL 26 H VAL 26 0.737 -10.578 5.027 205 HA VAL 26 HA VAL 26 0.406 -8.666 2.860 206 HB VAL 26 HB VAL 26 1.822 -8.425 5.547 207 HG11 VAL 26 HG11 VAL 26 0.965 -6.199 3.677 208 HG12 VAL 26 HG12 VAL 26 2.608 -6.838 3.716 209 HG13 VAL 26 HG13 VAL 26 1.930 -6.059 5.146 210 HG21 VAL 26 HG21 VAL 26 -0.161 -7.202 6.245 211 HG22 VAL 26 HG22 VAL 26 -0.662 -8.777 5.629 212 HG23 VAL 26 HG23 VAL 26 -0.860 -7.337 4.631 213 H THR 27 H THR 27 1.803 -8.416 1.254 214 HA THR 27 HA THR 27 4.668 -8.907 1.677 215 HB THR 27 HB THR 27 3.364 -10.121 -0.753 216 HG1 THR 27 HG1 THR 27 2.638 -11.638 0.446 217 HG21 THR 27 HG21 THR 27 5.937 -10.764 0.705 218 HG22 THR 27 HG22 THR 27 5.832 -9.697 -0.692 219 HG23 THR 27 HG23 THR 27 5.421 -11.402 -0.856 220 H GLU 28 H GLU 28 5.979 -7.851 0.147 221 HA GLU 28 HA GLU 28 4.942 -5.438 -0.878 222 HB2 GLU 28 HB2 GLU 28 7.511 -6.920 -1.444 223 HB3 GLU 28 HB3 GLU 28 7.141 -5.343 -2.140 224 HG2 GLU 28 HG2 GLU 28 6.927 -4.360 0.079 225 HG3 GLU 28 HG3 GLU 28 7.144 -5.936 0.835 226 H GLU 29 H GLU 29 5.118 -8.673 -2.163 227 HA GLU 29 HA GLU 29 4.387 -7.717 -4.863 228 HB2 GLU 29 HB2 GLU 29 5.336 -10.438 -3.947 229 HB3 GLU 29 HB3 GLU 29 4.927 -10.011 -5.609 230 HG2 GLU 29 HG2 GLU 29 6.661 -8.228 -5.544 231 HG3 GLU 29 HG3 GLU 29 7.105 -8.744 -3.919 232 H ALA 30 H ALA 30 2.861 -8.809 -2.093 233 HA ALA 30 HA ALA 30 0.836 -10.435 -3.401 234 HB1 ALA 30 HB1 ALA 30 1.186 -11.167 -1.216 235 HB2 ALA 30 HB2 ALA 30 -0.242 -10.148 -1.034 236 HB3 ALA 30 HB3 ALA 30 1.348 -9.528 -0.587 237 H LYS 31 H LYS 31 -1.236 -9.811 -3.893 238 HA LYS 31 HA LYS 31 -1.699 -6.938 -4.048 239 HB2 LYS 31 HB2 LYS 31 -3.007 -9.347 -5.270 240 HB3 LYS 31 HB3 LYS 31 -3.862 -7.809 -5.213 241 HG2 LYS 31 HG2 LYS 31 -2.793 -7.334 -7.162 242 HG3 LYS 31 HG3 LYS 31 -1.396 -7.000 -6.159 243 HD2 LYS 31 HD2 LYS 31 -0.594 -8.511 -7.798 244 HD3 LYS 31 HD3 LYS 31 -0.853 -9.514 -6.372 245 HE2 LYS 31 HE2 LYS 31 -1.802 -10.668 -8.280 246 HE3 LYS 31 HE3 LYS 31 -3.130 -10.088 -7.277 247 HZ1 LYS 31 HZ1 LYS 31 -3.696 -8.492 -8.779 248 HZ2 LYS 31 HZ2 LYS 31 -3.100 -9.673 -9.846 249 HZ3 LYS 31 HZ3 LYS 31 -2.128 -8.348 -9.410 250 H LEU 32 H LEU 32 -3.082 -5.829 -2.832 251 HA LEU 32 HA LEU 32 -3.960 -6.872 -0.377 252 HB2 LEU 32 HB2 LEU 32 -4.691 -4.381 -1.904 253 HB3 LEU 32 HB3 LEU 32 -5.360 -4.736 -0.311 254 HG LEU 32 HG LEU 32 -2.368 -4.776 -0.822 255 HD11 LEU 32 HD11 LEU 32 -2.408 -2.463 0.216 256 HD12 LEU 32 HD12 LEU 32 -4.156 -2.456 -0.014 257 HD13 LEU 32 HD13 LEU 32 -3.082 -2.533 -1.410 258 HD21 LEU 32 HD21 LEU 32 -4.178 -4.645 1.606 259 HD22 LEU 32 HD22 LEU 32 -2.471 -4.217 1.696 260 HD23 LEU 32 HD23 LEU 32 -2.946 -5.847 1.227 261 H ILE 33 H ILE 33 -5.724 -6.513 -3.449 262 HA ILE 33 HA ILE 33 -8.184 -7.381 -2.188 263 HB ILE 33 HB ILE 33 -8.211 -5.652 -3.945 264 HG12 ILE 33 HG12 ILE 33 -9.682 -8.114 -4.910 265 HG13 ILE 33 HG13 ILE 33 -10.151 -7.260 -3.441 266 HG21 ILE 33 HG21 ILE 33 -7.608 -7.887 -5.898 267 HG22 ILE 33 HG22 ILE 33 -6.368 -6.779 -5.310 268 HG23 ILE 33 HG23 ILE 33 -7.735 -6.161 -6.236 269 HD11 ILE 33 HD11 ILE 33 -10.598 -5.236 -4.659 270 HD12 ILE 33 HD12 ILE 33 -11.392 -6.541 -5.537 271 HD13 ILE 33 HD13 ILE 33 -9.864 -5.885 -6.124 272 H ASP 34 H ASP 34 -5.830 -8.815 -4.447 273 HA ASP 34 HA ASP 34 -7.407 -11.249 -4.641 274 HB2 ASP 34 HB2 ASP 34 -4.642 -10.601 -5.675 275 HB3 ASP 34 HB3 ASP 34 -5.577 -12.040 -6.078 276 H ASP 35 H ASP 35 -4.143 -10.472 -3.429 277 HA ASP 35 HA ASP 35 -3.702 -13.038 -2.292 278 HB2 ASP 35 HB2 ASP 35 -1.966 -11.318 -3.009 279 HB3 ASP 35 HB3 ASP 35 -2.281 -10.527 -1.467 280 H LEU 36 H LEU 36 -5.212 -10.124 -1.011 281 HA LEU 36 HA LEU 36 -5.290 -11.422 1.650 282 HB2 LEU 36 HB2 LEU 36 -4.950 -8.603 0.794 283 HB3 LEU 36 HB3 LEU 36 -5.916 -8.868 2.238 284 HG LEU 36 HG LEU 36 -3.209 -10.183 1.914 285 HD11 LEU 36 HD11 LEU 36 -3.832 -7.368 2.838 286 HD12 LEU 36 HD12 LEU 36 -2.655 -7.878 1.628 287 HD13 LEU 36 HD13 LEU 36 -2.367 -8.218 3.333 288 HD21 LEU 36 HD21 LEU 36 -4.587 -11.015 3.723 289 HD22 LEU 36 HD22 LEU 36 -4.961 -9.375 4.255 290 HD23 LEU 36 HD23 LEU 36 -3.324 -10.007 4.431 291 H GLY 37 H GLY 37 -7.257 -10.219 -0.983 292 HA2 GLY 37 HA2 GLY 37 -9.538 -10.715 -1.275 293 HA3 GLY 37 HA3 GLY 37 -9.619 -11.215 0.404 294 H ALA 38 H ALA 38 -8.183 -8.127 -0.354 295 HA ALA 38 HA ALA 38 -10.363 -6.786 1.070 296 HB1 ALA 38 HB1 ALA 38 -8.890 -4.935 1.295 297 HB2 ALA 38 HB2 ALA 38 -7.844 -5.513 -0.002 298 HB3 ALA 38 HB3 ALA 38 -7.887 -6.364 1.541 299 H ASP 39 H ASP 39 -12.042 -6.388 -0.185 300 HA ASP 39 HA ASP 39 -12.035 -6.012 -2.955 301 HB2 ASP 39 HB2 ASP 39 -14.032 -6.577 -1.503 302 HB3 ASP 39 HB3 ASP 39 -14.103 -4.871 -1.069 303 H SER 40 H SER 40 -12.538 -4.083 -4.188 304 HA SER 40 HA SER 40 -10.727 -2.050 -3.925 305 HB2 SER 40 HB2 SER 40 -12.122 -0.752 -5.478 306 HB3 SER 40 HB3 SER 40 -12.006 -2.441 -5.970 307 HG SER 40 HG SER 40 -14.167 -1.526 -5.982 308 H LEU 41 H LEU 41 -14.025 -2.098 -2.567 309 HA LEU 41 HA LEU 41 -14.054 0.591 -1.663 310 HB2 LEU 41 HB2 LEU 41 -16.087 -0.826 -1.745 311 HB3 LEU 41 HB3 LEU 41 -15.426 -1.846 -0.473 312 HG LEU 41 HG LEU 41 -15.374 0.163 1.036 313 HD11 LEU 41 HD11 LEU 41 -15.300 1.985 -0.534 314 HD12 LEU 41 HD12 LEU 41 -16.849 2.100 0.303 315 HD13 LEU 41 HD13 LEU 41 -16.775 1.438 -1.330 316 HD21 LEU 41 HD21 LEU 41 -17.825 0.219 1.399 317 HD22 LEU 41 HD22 LEU 41 -17.249 -1.424 1.111 318 HD23 LEU 41 HD23 LEU 41 -18.065 -0.537 -0.176 319 H ASP 42 H ASP 42 -13.145 -2.439 -0.096 320 HA ASP 42 HA ASP 42 -12.316 -1.401 2.382 321 HB2 ASP 42 HB2 ASP 42 -11.452 -3.866 0.864 322 HB3 ASP 42 HB3 ASP 42 -10.916 -3.508 2.504 323 H LEU 43 H LEU 43 -10.572 -1.885 -0.651 324 HA LEU 43 HA LEU 43 -7.983 -1.266 0.206 325 HB2 LEU 43 HB2 LEU 43 -8.527 -2.318 -1.965 326 HB3 LEU 43 HB3 LEU 43 -9.266 -0.818 -2.505 327 HG LEU 43 HG LEU 43 -7.052 0.329 -2.200 328 HD11 LEU 43 HD11 LEU 43 -6.014 -1.149 -0.566 329 HD12 LEU 43 HD12 LEU 43 -5.033 -1.150 -2.031 330 HD13 LEU 43 HD13 LEU 43 -6.103 -2.508 -1.685 331 HD21 LEU 43 HD21 LEU 43 -7.198 -2.065 -4.051 332 HD22 LEU 43 HD22 LEU 43 -5.965 -0.810 -4.175 333 HD23 LEU 43 HD23 LEU 43 -7.663 -0.404 -4.415 334 H VAL 44 H VAL 44 -10.599 0.804 -1.043 335 HA VAL 44 HA VAL 44 -9.139 3.205 -1.166 336 HB VAL 44 HB VAL 44 -12.094 2.679 -0.737 337 HG11 VAL 44 HG11 VAL 44 -10.652 5.293 -1.280 338 HG12 VAL 44 HG12 VAL 44 -11.696 4.918 0.091 339 HG13 VAL 44 HG13 VAL 44 -12.383 5.065 -1.527 340 HG21 VAL 44 HG21 VAL 44 -10.674 3.704 -3.203 341 HG22 VAL 44 HG22 VAL 44 -12.296 3.026 -3.083 342 HG23 VAL 44 HG23 VAL 44 -10.889 1.980 -2.895 343 H ASP 45 H ASP 45 -11.084 1.794 1.463 344 HA ASP 45 HA ASP 45 -10.722 3.902 3.320 345 HB2 ASP 45 HB2 ASP 45 -11.324 0.960 3.684 346 HB3 ASP 45 HB3 ASP 45 -11.269 2.099 5.024 347 H LEU 46 H LEU 46 -8.838 0.953 2.666 348 HA LEU 46 HA LEU 46 -7.063 1.167 4.863 349 HB2 LEU 46 HB2 LEU 46 -6.735 -0.087 2.130 350 HB3 LEU 46 HB3 LEU 46 -5.529 -0.225 3.407 351 HG LEU 46 HG LEU 46 -8.425 -1.019 3.801 352 HD11 LEU 46 HD11 LEU 46 -6.054 -2.641 2.850 353 HD12 LEU 46 HD12 LEU 46 -7.627 -2.469 2.074 354 HD13 LEU 46 HD13 LEU 46 -7.481 -3.383 3.575 355 HD21 LEU 46 HD21 LEU 46 -7.341 -2.400 5.639 356 HD22 LEU 46 HD22 LEU 46 -7.279 -0.655 5.887 357 HD23 LEU 46 HD23 LEU 46 -5.849 -1.516 5.319 358 H VAL 47 H VAL 47 -6.661 2.222 1.456 359 HA VAL 47 HA VAL 47 -4.191 3.500 1.899 360 HB VAL 47 HB VAL 47 -4.961 2.906 -0.363 361 HG11 VAL 47 HG11 VAL 47 -6.939 5.171 0.050 362 HG12 VAL 47 HG12 VAL 47 -7.331 3.466 -0.152 363 HG13 VAL 47 HG13 VAL 47 -6.629 4.371 -1.489 364 HG21 VAL 47 HG21 VAL 47 -4.193 4.925 -1.488 365 HG22 VAL 47 HG22 VAL 47 -3.255 4.698 -0.011 366 HG23 VAL 47 HG23 VAL 47 -4.548 5.897 -0.060 367 H MET 48 H MET 48 -7.539 4.648 2.177 368 HA MET 48 HA MET 48 -7.061 7.372 2.542 369 HB2 MET 48 HB2 MET 48 -9.297 6.367 2.218 370 HB3 MET 48 HB3 MET 48 -9.184 5.602 3.799 371 HG2 MET 48 HG2 MET 48 -9.074 7.797 4.878 372 HG3 MET 48 HG3 MET 48 -9.126 8.596 3.305 373 HE1 MET 48 HE1 MET 48 -12.517 8.350 1.985 374 HE2 MET 48 HE2 MET 48 -11.432 7.018 1.595 375 HE3 MET 48 HE3 MET 48 -10.787 8.648 1.767 376 H ASP 49 H ASP 49 -7.207 4.716 4.921 377 HA ASP 49 HA ASP 49 -6.782 6.178 7.248 378 HB2 ASP 49 HB2 ASP 49 -7.221 3.663 7.037 379 HB3 ASP 49 HB3 ASP 49 -5.482 3.486 6.786 380 H PHE 50 H PHE 50 -4.444 5.044 4.858 381 HA PHE 50 HA PHE 50 -2.112 5.974 6.302 382 HB2 PHE 50 HB2 PHE 50 -2.250 5.506 3.318 383 HB3 PHE 50 HB3 PHE 50 -0.840 5.422 4.357 384 HD1 PHE 50 HD1 PHE 50 -2.015 3.341 2.351 385 HD2 PHE 50 HD2 PHE 50 -2.276 3.734 6.625 386 HE1 PHE 50 HE1 PHE 50 -2.402 0.908 2.554 387 HE2 PHE 50 HE2 PHE 50 -2.659 1.299 6.816 388 HZ PHE 50 HZ PHE 50 -2.732 -0.108 4.780 389 H GLU 51 H GLU 51 -4.355 7.301 3.984 390 HA GLU 51 HA GLU 51 -2.920 9.500 2.992 391 HB2 GLU 51 HB2 GLU 51 -5.139 8.628 2.147 392 HB3 GLU 51 HB3 GLU 51 -5.899 9.412 3.527 393 HG2 GLU 51 HG2 GLU 51 -4.967 11.587 2.793 394 HG3 GLU 51 HG3 GLU 51 -4.267 10.791 1.385 395 H SER 52 H SER 52 -4.963 9.165 5.885 396 HA SER 52 HA SER 52 -4.419 11.922 6.691 397 HB2 SER 52 HB2 SER 52 -5.959 11.477 8.521 398 HB3 SER 52 HB3 SER 52 -6.675 10.932 7.007 399 HG SER 52 HG SER 52 -6.165 8.841 7.539 400 H GLU 53 H GLU 53 -3.530 8.642 7.566 401 HA GLU 53 HA GLU 53 -2.305 9.128 10.050 402 HB2 GLU 53 HB2 GLU 53 -2.756 6.855 9.162 403 HB3 GLU 53 HB3 GLU 53 -1.485 7.082 7.962 404 HG2 GLU 53 HG2 GLU 53 -0.598 5.811 9.849 405 HG3 GLU 53 HG3 GLU 53 0.164 7.395 9.800 406 H PHE 54 H PHE 54 -0.853 9.095 6.769 407 HA PHE 54 HA PHE 54 1.649 10.155 7.809 408 HB2 PHE 54 HB2 PHE 54 0.728 9.391 5.036 409 HB3 PHE 54 HB3 PHE 54 2.322 10.063 5.370 410 HD1 PHE 54 HD1 PHE 54 0.111 7.155 5.769 411 HD2 PHE 54 HD2 PHE 54 3.962 8.805 6.713 412 HE1 PHE 54 HE1 PHE 54 0.905 4.908 6.456 413 HE2 PHE 54 HE2 PHE 54 4.758 6.559 7.399 414 HZ PHE 54 HZ PHE 54 3.228 4.610 7.271 415 H GLY 55 H GLY 55 -1.229 11.634 7.103 416 HA2 GLY 55 HA2 GLY 55 -1.825 13.820 6.684 417 HA3 GLY 55 HA3 GLY 55 -0.174 14.242 7.128 418 H VAL 56 H VAL 56 -1.150 12.138 4.466 419 HA VAL 56 HA VAL 56 -0.229 14.180 2.534 420 HB VAL 56 HB VAL 56 0.832 12.369 1.210 421 HG11 VAL 56 HG11 VAL 56 2.036 13.760 2.991 422 HG12 VAL 56 HG12 VAL 56 2.815 12.254 2.503 423 HG13 VAL 56 HG13 VAL 56 1.923 12.334 4.022 424 HG21 VAL 56 HG21 VAL 56 1.292 10.202 2.517 425 HG22 VAL 56 HG22 VAL 56 -0.338 10.400 1.877 426 HG23 VAL 56 HG23 VAL 56 -0.021 10.700 3.584 427 H LYS 57 H LYS 57 -1.089 14.023 0.437 428 HA LYS 57 HA LYS 57 -3.743 12.729 0.335 429 HB2 LYS 57 HB2 LYS 57 -3.677 15.203 0.053 430 HB3 LYS 57 HB3 LYS 57 -2.631 14.999 -1.348 431 HG2 LYS 57 HG2 LYS 57 -4.875 15.289 -2.176 432 HG3 LYS 57 HG3 LYS 57 -4.461 13.591 -2.396 433 HD2 LYS 57 HD2 LYS 57 -5.696 12.991 -0.372 434 HD3 LYS 57 HD3 LYS 57 -6.043 14.690 -0.051 435 HE2 LYS 57 HE2 LYS 57 -7.296 14.835 -2.174 436 HE3 LYS 57 HE3 LYS 57 -6.955 13.133 -2.489 437 HZ1 LYS 57 HZ1 LYS 57 -7.999 12.822 -0.151 438 HZ2 LYS 57 HZ2 LYS 57 -9.006 13.023 -1.505 439 HZ3 LYS 57 HZ3 LYS 57 -8.712 14.330 -0.461 440 H VAL 58 H VAL 58 -4.273 11.318 -1.339 441 HA VAL 58 HA VAL 58 -2.015 10.537 -3.086 442 HB VAL 58 HB VAL 58 -3.097 8.319 -3.247 443 HG11 VAL 58 HG11 VAL 58 -2.347 7.555 -1.117 444 HG12 VAL 58 HG12 VAL 58 -2.754 9.083 -0.335 445 HG13 VAL 58 HG13 VAL 58 -1.390 8.998 -1.446 446 HG21 VAL 58 HG21 VAL 58 -4.947 9.337 -1.057 447 HG22 VAL 58 HG22 VAL 58 -4.958 7.736 -1.793 448 HG23 VAL 58 HG23 VAL 58 -5.430 9.144 -2.743 449 H ASP 59 H ASP 59 -2.309 10.113 -5.177 450 HA ASP 59 HA ASP 59 -4.475 11.504 -6.521 451 HB2 ASP 59 HB2 ASP 59 -2.047 11.585 -7.247 452 HB3 ASP 59 HB3 ASP 59 -2.225 9.910 -7.733 453 H ASP 60 H ASP 60 -6.198 10.588 -7.506 454 HA ASP 60 HA ASP 60 -7.040 7.969 -6.980 455 HB2 ASP 60 HB2 ASP 60 -8.505 9.784 -7.898 456 HB3 ASP 60 HB3 ASP 60 -7.717 9.577 -9.462 457 H ALA 61 H ALA 61 -5.054 9.299 -9.508 458 HA ALA 61 HA ALA 61 -4.812 6.985 -11.157 459 HB1 ALA 61 HB1 ALA 61 -2.571 8.928 -10.947 460 HB2 ALA 61 HB2 ALA 61 -4.113 9.526 -11.542 461 HB3 ALA 61 HB3 ALA 61 -3.294 8.205 -12.378 462 H ASP 62 H ASP 62 -2.983 8.241 -8.341 463 HA ASP 62 HA ASP 62 -0.888 6.346 -8.380 464 HB2 ASP 62 HB2 ASP 62 -2.135 7.853 -6.070 465 HB3 ASP 62 HB3 ASP 62 -0.770 6.772 -5.875 466 H LEU 63 H LEU 63 -4.149 6.278 -6.974 467 HA LEU 63 HA LEU 63 -3.939 3.881 -5.534 468 HB2 LEU 63 HB2 LEU 63 -5.905 5.386 -5.403 469 HB3 LEU 63 HB3 LEU 63 -6.348 4.946 -7.048 470 HG LEU 63 HG LEU 63 -6.557 2.557 -6.296 471 HD11 LEU 63 HD11 LEU 63 -6.802 2.239 -3.784 472 HD12 LEU 63 HD12 LEU 63 -6.043 3.819 -3.590 473 HD13 LEU 63 HD13 LEU 63 -5.151 2.500 -4.348 474 HD21 LEU 63 HD21 LEU 63 -8.665 2.955 -4.964 475 HD22 LEU 63 HD22 LEU 63 -8.565 3.887 -6.457 476 HD23 LEU 63 HD23 LEU 63 -8.234 4.664 -4.909 477 H GLU 64 H GLU 64 -4.831 4.442 -8.965 478 HA GLU 64 HA GLU 64 -5.203 1.743 -9.669 479 HB2 GLU 64 HB2 GLU 64 -5.942 3.688 -11.032 480 HB3 GLU 64 HB3 GLU 64 -4.256 4.042 -11.404 481 HG2 GLU 64 HG2 GLU 64 -5.244 2.779 -13.247 482 HG3 GLU 64 HG3 GLU 64 -4.037 1.787 -12.438 483 H LYS 65 H LYS 65 -2.336 3.775 -9.475 484 HA LYS 65 HA LYS 65 -0.528 1.927 -10.758 485 HB2 LYS 65 HB2 LYS 65 0.024 4.275 -8.922 486 HB3 LYS 65 HB3 LYS 65 1.233 3.420 -9.872 487 HG2 LYS 65 HG2 LYS 65 0.297 4.174 -11.933 488 HG3 LYS 65 HG3 LYS 65 -1.177 4.723 -11.151 489 HD2 LYS 65 HD2 LYS 65 0.625 6.233 -9.777 490 HD3 LYS 65 HD3 LYS 65 1.510 6.027 -11.280 491 HE2 LYS 65 HE2 LYS 65 0.041 7.328 -12.483 492 HE3 LYS 65 HE3 LYS 65 -1.360 6.825 -11.535 493 HZ1 LYS 65 HZ1 LYS 65 -0.734 9.162 -11.125 494 HZ2 LYS 65 HZ2 LYS 65 0.783 8.641 -10.555 495 HZ3 LYS 65 HZ3 LYS 65 -0.631 8.207 -9.725 496 H ILE 66 H ILE 66 -1.989 2.043 -7.691 497 HA ILE 66 HA ILE 66 0.130 0.384 -6.451 498 HB ILE 66 HB ILE 66 -2.067 2.019 -5.145 499 HG12 ILE 66 HG12 ILE 66 0.938 2.396 -4.975 500 HG13 ILE 66 HG13 ILE 66 -0.044 3.210 -6.188 501 HG21 ILE 66 HG21 ILE 66 -1.814 0.591 -3.401 502 HG22 ILE 66 HG22 ILE 66 -0.224 1.308 -3.165 503 HG23 ILE 66 HG23 ILE 66 -0.393 -0.172 -4.101 504 HD11 ILE 66 HD11 ILE 66 -1.485 4.037 -4.223 505 HD12 ILE 66 HD12 ILE 66 0.120 4.753 -4.380 506 HD13 ILE 66 HD13 ILE 66 -0.172 3.494 -3.180 507 H SER 67 H SER 67 -0.254 -1.731 -6.588 508 HA SER 67 HA SER 67 -3.038 -2.702 -6.300 509 HB2 SER 67 HB2 SER 67 -2.104 -3.150 -8.530 510 HB3 SER 67 HB3 SER 67 -0.731 -3.972 -7.794 511 HG SER 67 HG SER 67 -3.442 -4.726 -7.902 512 H THR 68 H THR 68 0.368 -3.596 -5.721 513 HA THR 68 HA THR 68 -0.449 -5.451 -3.622 514 HB THR 68 HB THR 68 1.916 -6.174 -3.630 515 HG1 THR 68 HG1 THR 68 3.281 -4.773 -4.333 516 HG21 THR 68 HG21 THR 68 1.990 -6.966 -6.035 517 HG22 THR 68 HG22 THR 68 0.554 -5.986 -6.330 518 HG23 THR 68 HG23 THR 68 0.487 -7.326 -5.185 519 H VAL 69 H VAL 69 0.871 -5.483 -1.612 520 HA VAL 69 HA VAL 69 0.690 -3.008 -0.250 521 HB VAL 69 HB VAL 69 2.297 -5.457 0.533 522 HG11 VAL 69 HG11 VAL 69 2.227 -4.605 2.785 523 HG12 VAL 69 HG12 VAL 69 1.175 -3.274 2.302 524 HG13 VAL 69 HG13 VAL 69 2.850 -3.319 1.752 525 HG21 VAL 69 HG21 VAL 69 0.364 -6.244 1.669 526 HG22 VAL 69 HG22 VAL 69 -0.227 -5.727 0.091 527 HG23 VAL 69 HG23 VAL 69 -0.461 -4.696 1.501 528 H GLY 70 H GLY 70 3.228 -4.488 -2.138 529 HA2 GLY 70 HA2 GLY 70 5.477 -3.074 -1.178 530 HA3 GLY 70 HA3 GLY 70 5.307 -3.726 -2.807 531 H ASP 71 H ASP 71 3.086 -2.310 -3.671 532 HA ASP 71 HA ASP 71 4.222 0.143 -4.509 533 HB2 ASP 71 HB2 ASP 71 1.421 -0.966 -4.662 534 HB3 ASP 71 HB3 ASP 71 1.870 0.588 -5.349 535 H ILE 72 H ILE 72 1.853 -0.710 -1.997 536 HA ILE 72 HA ILE 72 1.125 1.927 -1.226 537 HB ILE 72 HB ILE 72 1.216 -0.709 0.273 538 HG12 ILE 72 HG12 ILE 72 -0.410 -0.479 -1.616 539 HG13 ILE 72 HG13 ILE 72 -1.177 -0.772 -0.067 540 HG21 ILE 72 HG21 ILE 72 0.232 1.973 1.261 541 HG22 ILE 72 HG22 ILE 72 1.351 0.861 2.048 542 HG23 ILE 72 HG23 ILE 72 -0.359 0.452 1.930 543 HD11 ILE 72 HD11 ILE 72 -2.350 0.985 -1.416 544 HD12 ILE 72 HD12 ILE 72 -0.901 1.982 -1.335 545 HD13 ILE 72 HD13 ILE 72 -1.782 1.588 0.138 546 H VAL 73 H VAL 73 3.554 -0.322 0.030 547 HA VAL 73 HA VAL 73 4.650 1.330 2.001 548 HB VAL 73 HB VAL 73 5.834 -0.979 0.447 549 HG11 VAL 73 HG11 VAL 73 7.699 0.290 1.383 550 HG12 VAL 73 HG12 VAL 73 7.454 -1.163 2.354 551 HG13 VAL 73 HG13 VAL 73 6.883 0.397 2.944 552 HG21 VAL 73 HG21 VAL 73 4.803 -0.886 3.288 553 HG22 VAL 73 HG22 VAL 73 5.174 -2.312 2.319 554 HG23 VAL 73 HG23 VAL 73 3.781 -1.308 1.914 555 H SER 74 H SER 74 5.835 0.725 -1.317 556 HA SER 74 HA SER 74 8.009 2.533 -1.168 557 HB2 SER 74 HB2 SER 74 8.119 2.283 -3.598 558 HB3 SER 74 HB3 SER 74 7.854 0.721 -2.833 559 HG SER 74 HG SER 74 6.219 2.207 -4.481 560 H TYR 75 H TYR 75 4.633 2.959 -2.061 561 HA TYR 75 HA TYR 75 4.828 5.439 -3.358 562 HB2 TYR 75 HB2 TYR 75 2.794 4.075 -3.453 563 HB3 TYR 75 HB3 TYR 75 2.540 4.307 -1.725 564 HD1 TYR 75 HD1 TYR 75 2.643 6.030 -5.018 565 HD2 TYR 75 HD2 TYR 75 1.608 6.338 -0.862 566 HE1 TYR 75 HE1 TYR 75 1.476 8.170 -5.466 567 HE2 TYR 75 HE2 TYR 75 0.440 8.473 -1.310 568 HH TYR 75 HH TYR 75 -0.492 9.475 -4.274 569 H ILE 76 H ILE 76 4.183 4.678 0.053 570 HA ILE 76 HA ILE 76 4.019 7.380 0.896 571 HB ILE 76 HB ILE 76 4.716 4.938 2.559 572 HG12 ILE 76 HG12 ILE 76 2.027 6.232 1.989 573 HG13 ILE 76 HG13 ILE 76 2.590 4.767 1.226 574 HG21 ILE 76 HG21 ILE 76 3.639 7.703 3.244 575 HG22 ILE 76 HG22 ILE 76 5.195 7.034 3.733 576 HG23 ILE 76 HG23 ILE 76 3.701 6.361 4.387 577 HD11 ILE 76 HD11 ILE 76 2.422 3.491 3.168 578 HD12 ILE 76 HD12 ILE 76 1.040 4.573 3.332 579 HD13 ILE 76 HD13 ILE 76 2.524 4.898 4.226 580 H GLU 77 H GLU 77 6.661 5.060 0.745 581 HA GLU 77 HA GLU 77 8.622 6.449 2.166 582 HB2 GLU 77 HB2 GLU 77 8.595 4.051 1.163 583 HB3 GLU 77 HB3 GLU 77 9.226 4.816 -0.289 584 HG2 GLU 77 HG2 GLU 77 10.784 5.814 1.897 585 HG3 GLU 77 HG3 GLU 77 10.621 4.077 2.125 586 H LYS 78 H LYS 78 7.706 6.667 -1.269 587 HA LYS 78 HA LYS 78 9.779 8.644 -1.808 588 HB2 LYS 78 HB2 LYS 78 9.140 6.827 -3.432 589 HB3 LYS 78 HB3 LYS 78 7.607 7.663 -3.665 590 HG2 LYS 78 HG2 LYS 78 8.814 9.695 -4.377 591 HG3 LYS 78 HG3 LYS 78 10.352 8.868 -4.141 592 HD2 LYS 78 HD2 LYS 78 8.219 7.803 -6.002 593 HD3 LYS 78 HD3 LYS 78 9.460 8.931 -6.542 594 HE2 LYS 78 HE2 LYS 78 10.011 6.246 -5.238 595 HE3 LYS 78 HE3 LYS 78 10.092 6.562 -6.970 596 HZ1 LYS 78 HZ1 LYS 78 11.668 8.464 -6.217 597 HZ2 LYS 78 HZ2 LYS 78 12.258 6.875 -6.343 598 HZ3 LYS 78 HZ3 LYS 78 11.855 7.517 -4.824 599 H LYS 79 H LYS 79 6.263 8.516 -1.490 600 HA LYS 79 HA LYS 79 5.606 11.050 -2.476 601 HB2 LYS 79 HB2 LYS 79 4.009 9.184 -1.878 602 HB3 LYS 79 HB3 LYS 79 4.215 9.640 -0.191 603 HG2 LYS 79 HG2 LYS 79 2.260 10.791 -0.900 604 HG3 LYS 79 HG3 LYS 79 3.533 12.013 -0.934 605 HD2 LYS 79 HD2 LYS 79 3.788 11.797 -3.321 606 HD3 LYS 79 HD3 LYS 79 2.740 10.379 -3.360 607 HE2 LYS 79 HE2 LYS 79 0.855 11.804 -2.545 608 HE3 LYS 79 HE3 LYS 79 1.914 13.209 -2.655 609 HZ1 LYS 79 HZ1 LYS 79 0.990 11.454 -4.863 610 HZ2 LYS 79 HZ2 LYS 79 2.264 12.571 -5.039 611 HZ3 LYS 79 HZ3 LYS 79 0.701 13.117 -4.660 612 H LEU 80 H LEU 80 6.473 10.029 0.832 613 HA LEU 80 HA LEU 80 6.113 12.587 2.020 614 HB2 LEU 80 HB2 LEU 80 7.673 10.142 2.866 615 HB3 LEU 80 HB3 LEU 80 7.543 11.590 3.862 616 HG LEU 80 HG LEU 80 5.109 10.123 2.801 617 HD11 LEU 80 HD11 LEU 80 6.312 9.873 5.572 618 HD12 LEU 80 HD12 LEU 80 6.601 8.696 4.291 619 HD13 LEU 80 HD13 LEU 80 4.966 8.956 4.894 620 HD21 LEU 80 HD21 LEU 80 4.651 12.400 3.507 621 HD22 LEU 80 HD22 LEU 80 5.588 12.181 4.984 622 HD23 LEU 80 HD23 LEU 80 4.062 11.321 4.771 623 H GLY 81 H GLY 81 8.777 11.087 0.306 624 HA2 GLY 81 HA2 GLY 81 10.130 13.412 -0.328 625 HA3 GLY 81 HA3 GLY 81 10.832 12.864 1.194 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 12.214 13.386 9.618 2 H2 MET 1 HT2 MET 1 10.795 12.716 8.966 3 H3 MET 1 HT3 MET 1 12.182 12.886 7.998 4 HA MET 1 HA MET 1 13.297 11.156 9.016 5 HB2 MET 1 HB2 MET 1 11.375 11.729 11.269 6 HB3 MET 1 HB3 MET 1 12.192 10.170 11.180 7 HG2 MET 1 HG2 MET 1 13.637 12.835 11.114 8 HG3 MET 1 HG3 MET 1 13.405 11.880 12.579 9 HE1 MET 1 HE1 MET 1 17.150 11.726 11.386 10 HE2 MET 1 HE2 MET 1 16.286 11.594 12.915 11 HE3 MET 1 HE3 MET 1 15.900 12.906 11.804 12 H ALA 2 H ALA 2 12.945 9.260 8.051 13 HA ALA 2 HA ALA 2 10.295 8.041 8.014 14 HB1 ALA 2 HB1 ALA 2 10.420 9.612 6.032 15 HB2 ALA 2 HB2 ALA 2 10.109 7.923 5.631 16 HB3 ALA 2 HB3 ALA 2 11.724 8.600 5.410 17 H SER 3 H SER 3 10.342 5.830 7.211 18 HA SER 3 HA SER 3 12.829 4.571 6.578 19 HB2 SER 3 HB2 SER 3 12.906 4.826 9.115 20 HB3 SER 3 HB3 SER 3 11.537 3.719 9.174 21 HG SER 3 HG SER 3 14.194 3.270 8.488 22 H ARG 4 H ARG 4 12.416 2.653 5.469 23 HA ARG 4 HA ARG 4 9.858 2.198 4.463 24 HB2 ARG 4 HB2 ARG 4 12.021 1.407 3.459 25 HB3 ARG 4 HB3 ARG 4 12.069 0.142 4.686 26 HG2 ARG 4 HG2 ARG 4 9.950 -0.770 3.885 27 HG3 ARG 4 HG3 ARG 4 9.791 0.547 2.723 28 HD2 ARG 4 HD2 ARG 4 11.872 -0.192 1.611 29 HD3 ARG 4 HD3 ARG 4 12.008 -1.520 2.760 30 HE ARG 4 HE ARG 4 10.320 -2.642 1.611 31 HH11 ARG 4 HH11 ARG 4 10.480 0.685 0.510 32 HH12 ARG 4 HH12 ARG 4 9.395 0.417 -0.814 33 HH21 ARG 4 HH21 ARG 4 8.908 -2.937 -0.119 34 HH22 ARG 4 HH22 ARG 4 8.514 -1.615 -1.165 35 H GLU 5 H GLU 5 11.530 0.686 7.186 36 HA GLU 5 HA GLU 5 9.695 -1.356 7.760 37 HB2 GLU 5 HB2 GLU 5 10.588 -1.246 10.089 38 HB3 GLU 5 HB3 GLU 5 11.855 -1.310 8.869 39 HG2 GLU 5 HG2 GLU 5 11.991 1.200 9.003 40 HG3 GLU 5 HG3 GLU 5 10.891 1.155 10.366 41 H GLU 6 H GLU 6 9.799 2.017 8.833 42 HA GLU 6 HA GLU 6 7.662 1.883 10.619 43 HB2 GLU 6 HB2 GLU 6 8.825 4.157 9.018 44 HB3 GLU 6 HB3 GLU 6 7.485 4.396 10.139 45 HG2 GLU 6 HG2 GLU 6 10.102 3.092 10.931 46 HG3 GLU 6 HG3 GLU 6 9.778 4.814 11.130 47 H ILE 7 H ILE 7 7.745 2.534 7.150 48 HA ILE 7 HA ILE 7 4.977 3.214 6.887 49 HB ILE 7 HB ILE 7 6.831 2.029 4.800 50 HG12 ILE 7 HG12 ILE 7 7.845 4.067 5.724 51 HG13 ILE 7 HG13 ILE 7 7.238 4.392 4.108 52 HG21 ILE 7 HG21 ILE 7 4.419 1.975 4.234 53 HG22 ILE 7 HG22 ILE 7 5.315 3.078 3.193 54 HG23 ILE 7 HG23 ILE 7 4.328 3.714 4.508 55 HD11 ILE 7 HD11 ILE 7 5.076 5.198 5.434 56 HD12 ILE 7 HD12 ILE 7 6.462 6.269 5.245 57 HD13 ILE 7 HD13 ILE 7 6.228 5.391 6.755 58 H PHE 8 H PHE 8 6.748 0.198 6.120 59 HA PHE 8 HA PHE 8 4.584 -1.379 5.473 60 HB2 PHE 8 HB2 PHE 8 6.935 -2.029 5.131 61 HB3 PHE 8 HB3 PHE 8 7.140 -2.223 6.868 62 HD1 PHE 8 HD1 PHE 8 5.276 -3.510 3.907 63 HD2 PHE 8 HD2 PHE 8 6.461 -4.232 7.971 64 HE1 PHE 8 HE1 PHE 8 4.437 -5.837 3.737 65 HE2 PHE 8 HE2 PHE 8 5.622 -6.558 7.803 66 HZ PHE 8 HZ PHE 8 4.611 -7.362 5.686 67 H SER 9 H SER 9 6.033 -0.955 8.732 68 HA SER 9 HA SER 9 4.368 -2.777 10.072 69 HB2 SER 9 HB2 SER 9 5.743 -0.279 11.073 70 HB3 SER 9 HB3 SER 9 4.962 -1.462 12.118 71 HG SER 9 HG SER 9 7.180 -1.908 11.882 72 H LYS 10 H LYS 10 3.969 0.736 9.573 73 HA LYS 10 HA LYS 10 1.528 0.943 11.016 74 HB2 LYS 10 HB2 LYS 10 2.772 2.694 8.895 75 HB3 LYS 10 HB3 LYS 10 1.291 3.110 9.760 76 HG2 LYS 10 HG2 LYS 10 2.494 2.958 11.907 77 HG3 LYS 10 HG3 LYS 10 3.975 2.528 11.052 78 HD2 LYS 10 HD2 LYS 10 3.947 4.689 9.880 79 HD3 LYS 10 HD3 LYS 10 2.444 5.121 10.695 80 HE2 LYS 10 HE2 LYS 10 4.332 6.157 11.857 81 HE3 LYS 10 HE3 LYS 10 3.607 4.924 12.888 82 HZ1 LYS 10 HZ1 LYS 10 6.175 5.006 12.524 83 HZ2 LYS 10 HZ2 LYS 10 5.804 4.161 11.098 84 HZ3 LYS 10 HZ3 LYS 10 5.367 3.516 12.607 85 H VAL 11 H VAL 11 2.280 0.417 7.622 86 HA VAL 11 HA VAL 11 -0.333 0.619 6.591 87 HB VAL 11 HB VAL 11 2.138 -0.838 5.619 88 HG11 VAL 11 HG11 VAL 11 0.311 -2.020 4.579 89 HG12 VAL 11 HG12 VAL 11 0.914 -0.875 3.380 90 HG13 VAL 11 HG13 VAL 11 -0.565 -0.520 4.273 91 HG21 VAL 11 HG21 VAL 11 1.934 1.749 5.747 92 HG22 VAL 11 HG22 VAL 11 0.789 1.589 4.421 93 HG23 VAL 11 HG23 VAL 11 2.453 1.041 4.219 94 H LYS 12 H LYS 12 1.541 -2.132 7.799 95 HA LYS 12 HA LYS 12 -0.439 -4.108 7.364 96 HB2 LYS 12 HB2 LYS 12 1.950 -4.632 7.829 97 HB3 LYS 12 HB3 LYS 12 1.715 -4.088 9.488 98 HG2 LYS 12 HG2 LYS 12 -0.347 -6.042 8.752 99 HG3 LYS 12 HG3 LYS 12 1.260 -6.694 8.446 100 HD2 LYS 12 HD2 LYS 12 1.919 -6.460 10.702 101 HD3 LYS 12 HD3 LYS 12 0.610 -5.341 11.062 102 HE2 LYS 12 HE2 LYS 12 -0.789 -7.030 11.604 103 HE3 LYS 12 HE3 LYS 12 -0.437 -7.920 10.120 104 HZ1 LYS 12 HZ1 LYS 12 0.243 -8.828 12.487 105 HZ2 LYS 12 HZ2 LYS 12 1.617 -7.859 12.215 106 HZ3 LYS 12 HZ3 LYS 12 1.216 -9.095 11.127 107 H SER 13 H SER 13 0.192 -1.890 10.056 108 HA SER 13 HA SER 13 -1.469 -3.047 11.972 109 HB2 SER 13 HB2 SER 13 0.080 -1.223 12.479 110 HB3 SER 13 HB3 SER 13 -0.880 -0.117 11.502 111 HG SER 13 HG SER 13 -2.032 0.168 13.226 112 H ILE 14 H ILE 14 -2.318 -0.702 9.398 113 HA ILE 14 HA ILE 14 -5.031 -0.445 10.283 114 HB ILE 14 HB ILE 14 -3.859 0.136 7.548 115 HG12 ILE 14 HG12 ILE 14 -2.644 1.423 9.248 116 HG13 ILE 14 HG13 ILE 14 -3.692 2.500 8.330 117 HG21 ILE 14 HG21 ILE 14 -5.774 1.490 7.134 118 HG22 ILE 14 HG22 ILE 14 -6.299 1.396 8.812 119 HG23 ILE 14 HG23 ILE 14 -6.399 -0.025 7.779 120 HD11 ILE 14 HD11 ILE 14 -5.403 2.146 10.254 121 HD12 ILE 14 HD12 ILE 14 -4.003 3.165 10.587 122 HD13 ILE 14 HD13 ILE 14 -4.039 1.501 11.168 123 H ILE 15 H ILE 15 -3.500 -2.203 7.571 124 HA ILE 15 HA ILE 15 -5.836 -3.379 6.568 125 HB ILE 15 HB ILE 15 -2.942 -4.276 6.414 126 HG12 ILE 15 HG12 ILE 15 -4.632 -2.873 4.326 127 HG13 ILE 15 HG13 ILE 15 -3.666 -1.983 5.498 128 HG21 ILE 15 HG21 ILE 15 -3.730 -5.494 4.334 129 HG22 ILE 15 HG22 ILE 15 -5.389 -5.184 4.849 130 HG23 ILE 15 HG23 ILE 15 -4.332 -6.189 5.840 131 HD11 ILE 15 HD11 ILE 15 -1.632 -2.812 4.634 132 HD12 ILE 15 HD12 ILE 15 -2.596 -2.508 3.190 133 HD13 ILE 15 HD13 ILE 15 -2.424 -4.151 3.803 134 H SER 16 H SER 16 -3.406 -4.795 8.748 135 HA SER 16 HA SER 16 -4.660 -7.295 9.061 136 HB2 SER 16 HB2 SER 16 -2.313 -6.998 9.569 137 HB3 SER 16 HB3 SER 16 -2.692 -5.829 10.829 138 HG SER 16 HG SER 16 -3.731 -8.464 10.852 139 H GLU 17 H GLU 17 -4.881 -4.349 10.958 140 HA GLU 17 HA GLU 17 -6.310 -5.432 13.149 141 HB2 GLU 17 HB2 GLU 17 -5.101 -3.320 13.307 142 HB3 GLU 17 HB3 GLU 17 -6.158 -2.593 12.106 143 HG2 GLU 17 HG2 GLU 17 -8.087 -2.886 13.616 144 HG3 GLU 17 HG3 GLU 17 -7.042 -3.641 14.814 145 H LYS 18 H LYS 18 -7.377 -3.827 10.165 146 HA LYS 18 HA LYS 18 -10.158 -4.104 10.962 147 HB2 LYS 18 HB2 LYS 18 -8.863 -2.856 8.538 148 HB3 LYS 18 HB3 LYS 18 -10.606 -2.894 8.814 149 HG2 LYS 18 HG2 LYS 18 -10.301 -1.709 10.956 150 HG3 LYS 18 HG3 LYS 18 -8.559 -1.673 10.690 151 HD2 LYS 18 HD2 LYS 18 -8.883 -0.337 8.651 152 HD3 LYS 18 HD3 LYS 18 -10.631 -0.387 8.889 153 HE2 LYS 18 HE2 LYS 18 -9.749 1.731 9.746 154 HE3 LYS 18 HE3 LYS 18 -10.341 0.747 11.084 155 HZ1 LYS 18 HZ1 LYS 18 -8.262 0.400 11.876 156 HZ2 LYS 18 HZ2 LYS 18 -7.955 1.875 11.088 157 HZ3 LYS 18 HZ3 LYS 18 -7.541 0.407 10.340 158 H LEU 19 H LEU 19 -7.913 -5.890 9.079 159 HA LEU 19 HA LEU 19 -10.068 -7.310 7.657 160 HB2 LEU 19 HB2 LEU 19 -8.151 -6.390 6.332 161 HB3 LEU 19 HB3 LEU 19 -7.082 -7.482 7.203 162 HG LEU 19 HG LEU 19 -8.427 -9.405 6.380 163 HD11 LEU 19 HD11 LEU 19 -9.860 -7.217 4.846 164 HD12 LEU 19 HD12 LEU 19 -10.574 -8.413 5.927 165 HD13 LEU 19 HD13 LEU 19 -9.919 -8.915 4.368 166 HD21 LEU 19 HD21 LEU 19 -7.352 -7.567 4.221 167 HD22 LEU 19 HD22 LEU 19 -7.565 -9.312 4.073 168 HD23 LEU 19 HD23 LEU 19 -6.384 -8.661 5.208 169 H GLY 20 H GLY 20 -7.716 -7.683 10.186 170 HA2 GLY 20 HA2 GLY 20 -7.431 -9.373 11.736 171 HA3 GLY 20 HA3 GLY 20 -8.798 -10.213 11.004 172 H VAL 21 H VAL 21 -5.773 -9.116 9.504 173 HA VAL 21 HA VAL 21 -5.049 -11.958 8.986 174 HB VAL 21 HB VAL 21 -4.898 -9.693 6.978 175 HG11 VAL 21 HG11 VAL 21 -4.340 -12.652 6.632 176 HG12 VAL 21 HG12 VAL 21 -3.092 -11.418 6.800 177 HG13 VAL 21 HG13 VAL 21 -4.170 -11.397 5.405 178 HG21 VAL 21 HG21 VAL 21 -6.614 -12.195 6.896 179 HG22 VAL 21 HG22 VAL 21 -6.701 -10.800 5.822 180 HG23 VAL 21 HG23 VAL 21 -7.207 -10.651 7.505 181 H ASP 22 H ASP 22 -2.898 -12.476 9.170 182 HA ASP 22 HA ASP 22 -1.187 -10.403 10.292 183 HB2 ASP 22 HB2 ASP 22 -1.247 -13.362 10.393 184 HB3 ASP 22 HB3 ASP 22 0.339 -12.601 10.505 185 H GLU 23 H GLU 23 0.936 -10.157 9.801 186 HA GLU 23 HA GLU 23 1.668 -9.253 7.402 187 HB2 GLU 23 HB2 GLU 23 3.323 -10.547 9.548 188 HB3 GLU 23 HB3 GLU 23 4.091 -9.954 8.075 189 HG2 GLU 23 HG2 GLU 23 3.290 -7.729 8.447 190 HG3 GLU 23 HG3 GLU 23 2.233 -8.270 9.741 191 H SER 24 H SER 24 1.578 -12.710 8.135 192 HA SER 24 HA SER 24 3.315 -13.665 6.174 193 HB2 SER 24 HB2 SER 24 0.710 -14.840 7.171 194 HB3 SER 24 HB3 SER 24 1.871 -15.711 6.173 195 HG SER 24 HG SER 24 1.884 -15.470 8.773 196 H GLN 25 H GLN 25 -0.064 -12.657 5.923 197 HA GLN 25 HA GLN 25 -0.306 -13.296 3.116 198 HB2 GLN 25 HB2 GLN 25 -1.988 -11.708 5.034 199 HB3 GLN 25 HB3 GLN 25 -2.415 -11.914 3.340 200 HG2 GLN 25 HG2 GLN 25 -1.890 -14.221 5.228 201 HG3 GLN 25 HG3 GLN 25 -3.500 -13.593 4.882 202 HE21 GLN 25 HE21 GLN 25 -3.630 -13.231 2.200 203 HE22 GLN 25 HE22 GLN 25 -3.236 -14.652 1.355 204 H VAL 26 H VAL 26 0.773 -10.559 4.997 205 HA VAL 26 HA VAL 26 0.477 -8.632 2.849 206 HB VAL 26 HB VAL 26 1.915 -8.441 5.526 207 HG11 VAL 26 HG11 VAL 26 2.040 -6.084 5.184 208 HG12 VAL 26 HG12 VAL 26 1.013 -6.161 3.754 209 HG13 VAL 26 HG13 VAL 26 2.651 -6.811 3.699 210 HG21 VAL 26 HG21 VAL 26 -0.061 -7.293 6.306 211 HG22 VAL 26 HG22 VAL 26 -0.585 -8.815 5.586 212 HG23 VAL 26 HG23 VAL 26 -0.771 -7.306 4.692 213 H THR 27 H THR 27 1.856 -8.372 1.230 214 HA THR 27 HA THR 27 4.726 -8.835 1.634 215 HB THR 27 HB THR 27 3.433 -10.037 -0.808 216 HG1 THR 27 HG1 THR 27 4.056 -11.379 1.594 217 HG21 THR 27 HG21 THR 27 5.873 -9.618 -0.801 218 HG22 THR 27 HG22 THR 27 5.508 -11.341 -0.859 219 HG23 THR 27 HG23 THR 27 6.023 -10.600 0.655 220 H GLU 28 H GLU 28 6.019 -7.783 0.096 221 HA GLU 28 HA GLU 28 5.032 -5.334 -0.877 222 HB2 GLU 28 HB2 GLU 28 7.506 -6.928 -1.577 223 HB3 GLU 28 HB3 GLU 28 7.188 -5.312 -2.208 224 HG2 GLU 28 HG2 GLU 28 7.158 -4.372 0.018 225 HG3 GLU 28 HG3 GLU 28 7.227 -5.972 0.748 226 H GLU 29 H GLU 29 5.105 -8.556 -2.226 227 HA GLU 29 HA GLU 29 4.219 -7.542 -4.857 228 HB2 GLU 29 HB2 GLU 29 5.281 -10.263 -4.071 229 HB3 GLU 29 HB3 GLU 29 4.755 -9.811 -5.691 230 HG2 GLU 29 HG2 GLU 29 6.989 -8.456 -4.143 231 HG3 GLU 29 HG3 GLU 29 7.224 -9.639 -5.425 232 H ALA 30 H ALA 30 2.848 -8.636 -2.028 233 HA ALA 30 HA ALA 30 0.829 -10.366 -3.182 234 HB1 ALA 30 HB1 ALA 30 1.326 -9.240 -0.435 235 HB2 ALA 30 HB2 ALA 30 1.331 -10.926 -0.955 236 HB3 ALA 30 HB3 ALA 30 -0.193 -10.047 -0.827 237 H LYS 31 H LYS 31 -1.198 -9.830 -3.752 238 HA LYS 31 HA LYS 31 -1.840 -7.015 -4.091 239 HB2 LYS 31 HB2 LYS 31 -3.348 -9.543 -4.762 240 HB3 LYS 31 HB3 LYS 31 -3.899 -7.921 -5.168 241 HG2 LYS 31 HG2 LYS 31 -1.167 -8.857 -6.042 242 HG3 LYS 31 HG3 LYS 31 -2.597 -9.314 -6.964 243 HD2 LYS 31 HD2 LYS 31 -3.203 -6.821 -6.981 244 HD3 LYS 31 HD3 LYS 31 -1.562 -6.528 -6.407 245 HE2 LYS 31 HE2 LYS 31 -1.601 -6.354 -8.840 246 HE3 LYS 31 HE3 LYS 31 -0.688 -7.789 -8.377 247 HZ1 LYS 31 HZ1 LYS 31 -3.528 -8.239 -8.721 248 HZ2 LYS 31 HZ2 LYS 31 -2.202 -9.142 -9.286 249 HZ3 LYS 31 HZ3 LYS 31 -2.720 -7.770 -10.140 250 H LEU 32 H LEU 32 -3.173 -5.869 -2.799 251 HA LEU 32 HA LEU 32 -4.006 -6.877 -0.292 252 HB2 LEU 32 HB2 LEU 32 -4.743 -4.396 -1.839 253 HB3 LEU 32 HB3 LEU 32 -5.388 -4.734 -0.233 254 HG LEU 32 HG LEU 32 -2.404 -4.780 -0.797 255 HD11 LEU 32 HD11 LEU 32 -4.211 -2.462 -0.032 256 HD12 LEU 32 HD12 LEU 32 -3.054 -2.539 -1.362 257 HD13 LEU 32 HD13 LEU 32 -2.480 -2.462 0.303 258 HD21 LEU 32 HD21 LEU 32 -2.972 -5.858 1.263 259 HD22 LEU 32 HD22 LEU 32 -4.160 -4.621 1.671 260 HD23 LEU 32 HD23 LEU 32 -2.441 -4.237 1.712 261 H ILE 33 H ILE 33 -5.732 -6.536 -3.380 262 HA ILE 33 HA ILE 33 -8.198 -7.465 -2.145 263 HB ILE 33 HB ILE 33 -8.250 -5.646 -3.814 264 HG12 ILE 33 HG12 ILE 33 -9.690 -8.077 -4.900 265 HG13 ILE 33 HG13 ILE 33 -10.167 -7.307 -3.387 266 HG21 ILE 33 HG21 ILE 33 -7.584 -7.784 -5.856 267 HG22 ILE 33 HG22 ILE 33 -6.401 -6.628 -5.245 268 HG23 ILE 33 HG23 ILE 33 -7.808 -6.059 -6.144 269 HD11 ILE 33 HD11 ILE 33 -10.688 -5.249 -4.482 270 HD12 ILE 33 HD12 ILE 33 -11.401 -6.514 -5.484 271 HD13 ILE 33 HD13 ILE 33 -9.885 -5.755 -5.970 272 H ASP 34 H ASP 34 -5.936 -8.684 -4.631 273 HA ASP 34 HA ASP 34 -7.425 -11.143 -4.928 274 HB2 ASP 34 HB2 ASP 34 -4.723 -10.354 -6.022 275 HB3 ASP 34 HB3 ASP 34 -5.649 -11.769 -6.502 276 H ASP 35 H ASP 35 -4.548 -10.174 -3.128 277 HA ASP 35 HA ASP 35 -3.988 -12.982 -2.453 278 HB2 ASP 35 HB2 ASP 35 -2.208 -11.295 -3.220 279 HB3 ASP 35 HB3 ASP 35 -2.326 -10.647 -1.587 280 H LEU 36 H LEU 36 -5.376 -10.129 -1.028 281 HA LEU 36 HA LEU 36 -5.314 -11.475 1.613 282 HB2 LEU 36 HB2 LEU 36 -5.036 -8.606 0.851 283 HB3 LEU 36 HB3 LEU 36 -5.898 -8.966 2.338 284 HG LEU 36 HG LEU 36 -3.862 -10.439 2.940 285 HD11 LEU 36 HD11 LEU 36 -1.747 -9.457 1.780 286 HD12 LEU 36 HD12 LEU 36 -2.857 -8.948 0.512 287 HD13 LEU 36 HD13 LEU 36 -2.690 -10.660 0.904 288 HD21 LEU 36 HD21 LEU 36 -2.583 -8.455 3.734 289 HD22 LEU 36 HD22 LEU 36 -4.315 -8.279 4.022 290 HD23 LEU 36 HD23 LEU 36 -3.553 -7.428 2.678 291 H GLY 37 H GLY 37 -7.304 -10.256 -0.951 292 HA2 GLY 37 HA2 GLY 37 -9.575 -10.704 -1.250 293 HA3 GLY 37 HA3 GLY 37 -9.675 -11.229 0.425 294 H ALA 38 H ALA 38 -8.221 -8.142 -0.311 295 HA ALA 38 HA ALA 38 -10.389 -6.788 1.120 296 HB1 ALA 38 HB1 ALA 38 -8.908 -4.993 1.410 297 HB2 ALA 38 HB2 ALA 38 -7.947 -5.434 -0.002 298 HB3 ALA 38 HB3 ALA 38 -7.840 -6.396 1.473 299 H ASP 39 H ASP 39 -12.084 -6.396 -0.130 300 HA ASP 39 HA ASP 39 -12.082 -6.076 -2.913 301 HB2 ASP 39 HB2 ASP 39 -14.082 -6.643 -1.529 302 HB3 ASP 39 HB3 ASP 39 -14.131 -4.968 -0.980 303 H SER 40 H SER 40 -12.655 -4.154 -4.171 304 HA SER 40 HA SER 40 -10.850 -2.102 -3.984 305 HB2 SER 40 HB2 SER 40 -12.318 -0.802 -5.467 306 HB3 SER 40 HB3 SER 40 -12.223 -2.487 -5.975 307 HG SER 40 HG SER 40 -14.387 -1.237 -5.622 308 H LEU 41 H LEU 41 -14.068 -2.229 -2.491 309 HA LEU 41 HA LEU 41 -14.107 0.438 -1.515 310 HB2 LEU 41 HB2 LEU 41 -16.124 -1.005 -1.571 311 HB3 LEU 41 HB3 LEU 41 -15.403 -2.058 -0.358 312 HG LEU 41 HG LEU 41 -15.319 -0.099 1.215 313 HD11 LEU 41 HD11 LEU 41 -16.840 1.234 -1.046 314 HD12 LEU 41 HD12 LEU 41 -15.331 1.770 -0.307 315 HD13 LEU 41 HD13 LEU 41 -16.835 1.844 0.610 316 HD21 LEU 41 HD21 LEU 41 -17.170 -1.720 1.297 317 HD22 LEU 41 HD22 LEU 41 -18.049 -0.790 0.084 318 HD23 LEU 41 HD23 LEU 41 -17.751 -0.099 1.679 319 H ASP 42 H ASP 42 -13.054 -2.633 -0.109 320 HA ASP 42 HA ASP 42 -12.198 -1.687 2.400 321 HB2 ASP 42 HB2 ASP 42 -11.191 -4.014 0.738 322 HB3 ASP 42 HB3 ASP 42 -10.674 -3.705 2.384 323 H LEU 43 H LEU 43 -10.504 -1.961 -0.694 324 HA LEU 43 HA LEU 43 -7.931 -1.235 0.147 325 HB2 LEU 43 HB2 LEU 43 -8.460 -2.272 -2.038 326 HB3 LEU 43 HB3 LEU 43 -9.266 -0.792 -2.539 327 HG LEU 43 HG LEU 43 -7.097 0.439 -2.224 328 HD11 LEU 43 HD11 LEU 43 -5.987 -1.048 -0.640 329 HD12 LEU 43 HD12 LEU 43 -5.019 -0.959 -2.112 330 HD13 LEU 43 HD13 LEU 43 -6.027 -2.372 -1.804 331 HD21 LEU 43 HD21 LEU 43 -5.993 -0.592 -4.245 332 HD22 LEU 43 HD22 LEU 43 -7.715 -0.272 -4.452 333 HD23 LEU 43 HD23 LEU 43 -7.156 -1.914 -4.135 334 H VAL 44 H VAL 44 -10.654 0.732 -1.044 335 HA VAL 44 HA VAL 44 -9.301 3.196 -1.125 336 HB VAL 44 HB VAL 44 -12.230 2.531 -0.720 337 HG11 VAL 44 HG11 VAL 44 -10.936 5.221 -1.282 338 HG12 VAL 44 HG12 VAL 44 -11.871 4.788 0.148 339 HG13 VAL 44 HG13 VAL 44 -12.663 4.895 -1.423 340 HG21 VAL 44 HG21 VAL 44 -12.438 2.909 -3.063 341 HG22 VAL 44 HG22 VAL 44 -10.992 1.916 -2.880 342 HG23 VAL 44 HG23 VAL 44 -10.840 3.649 -3.162 343 H ASP 45 H ASP 45 -11.200 1.681 1.479 344 HA ASP 45 HA ASP 45 -10.987 3.768 3.351 345 HB2 ASP 45 HB2 ASP 45 -12.547 1.851 3.555 346 HB3 ASP 45 HB3 ASP 45 -11.175 0.799 3.899 347 H LEU 46 H LEU 46 -8.917 0.968 2.742 348 HA LEU 46 HA LEU 46 -7.145 1.293 4.920 349 HB2 LEU 46 HB2 LEU 46 -6.765 0.049 2.190 350 HB3 LEU 46 HB3 LEU 46 -5.565 -0.046 3.478 351 HG LEU 46 HG LEU 46 -8.436 -0.920 3.867 352 HD11 LEU 46 HD11 LEU 46 -7.401 -3.268 3.644 353 HD12 LEU 46 HD12 LEU 46 -6.041 -2.467 2.856 354 HD13 LEU 46 HD13 LEU 46 -7.653 -2.367 2.149 355 HD21 LEU 46 HD21 LEU 46 -7.347 -2.262 5.707 356 HD22 LEU 46 HD22 LEU 46 -7.265 -0.519 5.942 357 HD23 LEU 46 HD23 LEU 46 -5.848 -1.398 5.372 358 H VAL 47 H VAL 47 -6.802 2.389 1.515 359 HA VAL 47 HA VAL 47 -4.352 3.683 1.919 360 HB VAL 47 HB VAL 47 -5.133 3.148 -0.324 361 HG11 VAL 47 HG11 VAL 47 -6.888 4.611 -1.370 362 HG12 VAL 47 HG12 VAL 47 -7.235 5.264 0.229 363 HG13 VAL 47 HG13 VAL 47 -7.507 3.554 -0.105 364 HG21 VAL 47 HG21 VAL 47 -3.494 4.969 -0.066 365 HG22 VAL 47 HG22 VAL 47 -4.805 6.137 0.090 366 HG23 VAL 47 HG23 VAL 47 -4.566 5.279 -1.432 367 H MET 48 H MET 48 -7.692 4.899 2.318 368 HA MET 48 HA MET 48 -7.036 7.596 2.765 369 HB2 MET 48 HB2 MET 48 -9.305 5.889 3.808 370 HB3 MET 48 HB3 MET 48 -9.193 7.625 4.097 371 HG2 MET 48 HG2 MET 48 -9.137 6.378 1.338 372 HG3 MET 48 HG3 MET 48 -10.596 7.010 2.095 373 HE1 MET 48 HE1 MET 48 -9.748 9.684 3.607 374 HE2 MET 48 HE2 MET 48 -11.137 9.179 2.647 375 HE3 MET 48 HE3 MET 48 -10.300 10.679 2.252 376 H ASP 49 H ASP 49 -7.244 4.832 4.987 377 HA ASP 49 HA ASP 49 -6.830 6.126 7.411 378 HB2 ASP 49 HB2 ASP 49 -7.183 3.594 6.931 379 HB3 ASP 49 HB3 ASP 49 -5.421 3.527 6.828 380 H PHE 50 H PHE 50 -4.479 5.184 4.945 381 HA PHE 50 HA PHE 50 -2.199 6.172 6.469 382 HB2 PHE 50 HB2 PHE 50 -2.105 5.705 3.497 383 HB3 PHE 50 HB3 PHE 50 -0.817 5.537 4.678 384 HD1 PHE 50 HD1 PHE 50 -2.311 3.624 2.470 385 HD2 PHE 50 HD2 PHE 50 -2.070 3.787 6.758 386 HE1 PHE 50 HE1 PHE 50 -2.798 1.203 2.588 387 HE2 PHE 50 HE2 PHE 50 -2.558 1.363 6.867 388 HZ PHE 50 HZ PHE 50 -2.929 0.075 4.782 389 H GLU 51 H GLU 51 -4.518 7.469 4.238 390 HA GLU 51 HA GLU 51 -3.112 9.638 3.120 391 HB2 GLU 51 HB2 GLU 51 -5.401 8.844 2.419 392 HB3 GLU 51 HB3 GLU 51 -6.051 9.605 3.869 393 HG2 GLU 51 HG2 GLU 51 -4.965 11.765 3.084 394 HG3 GLU 51 HG3 GLU 51 -4.655 10.946 1.559 395 H SER 52 H SER 52 -4.991 9.348 6.120 396 HA SER 52 HA SER 52 -4.385 12.088 6.905 397 HB2 SER 52 HB2 SER 52 -5.912 9.881 8.297 398 HB3 SER 52 HB3 SER 52 -5.727 11.516 8.923 399 HG SER 52 HG SER 52 -6.738 12.268 7.016 400 H GLU 53 H GLU 53 -3.492 8.798 7.815 401 HA GLU 53 HA GLU 53 -2.094 9.360 10.184 402 HB2 GLU 53 HB2 GLU 53 -2.665 7.068 9.425 403 HB3 GLU 53 HB3 GLU 53 -1.470 7.208 8.139 404 HG2 GLU 53 HG2 GLU 53 -0.498 5.986 10.017 405 HG3 GLU 53 HG3 GLU 53 0.304 7.542 9.850 406 H PHE 54 H PHE 54 -0.828 9.125 6.827 407 HA PHE 54 HA PHE 54 1.742 10.182 7.701 408 HB2 PHE 54 HB2 PHE 54 0.740 9.273 4.998 409 HB3 PHE 54 HB3 PHE 54 2.374 9.850 5.298 410 HD1 PHE 54 HD1 PHE 54 -0.002 7.110 5.771 411 HD2 PHE 54 HD2 PHE 54 3.890 8.590 6.826 412 HE1 PHE 54 HE1 PHE 54 0.625 4.862 6.611 413 HE2 PHE 54 HE2 PHE 54 4.518 6.342 7.662 414 HZ PHE 54 HZ PHE 54 2.886 4.480 7.556 415 H GLY 55 H GLY 55 -1.129 11.669 6.930 416 HA2 GLY 55 HA2 GLY 55 -1.676 13.837 6.365 417 HA3 GLY 55 HA3 GLY 55 -0.002 14.246 6.730 418 H VAL 56 H VAL 56 -1.130 11.974 4.280 419 HA VAL 56 HA VAL 56 -0.197 13.809 2.155 420 HB VAL 56 HB VAL 56 0.773 11.855 0.971 421 HG11 VAL 56 HG11 VAL 56 2.327 13.162 2.204 422 HG12 VAL 56 HG12 VAL 56 2.683 11.490 2.634 423 HG13 VAL 56 HG13 VAL 56 1.768 12.510 3.742 424 HG21 VAL 56 HG21 VAL 56 -0.422 9.979 1.809 425 HG22 VAL 56 HG22 VAL 56 -0.110 10.427 3.485 426 HG23 VAL 56 HG23 VAL 56 1.197 9.797 2.482 427 H LYS 57 H LYS 57 -1.254 13.667 0.184 428 HA LYS 57 HA LYS 57 -3.874 12.319 0.275 429 HB2 LYS 57 HB2 LYS 57 -3.791 14.812 -0.050 430 HB3 LYS 57 HB3 LYS 57 -3.017 14.518 -1.606 431 HG2 LYS 57 HG2 LYS 57 -4.925 13.331 -2.439 432 HG3 LYS 57 HG3 LYS 57 -5.658 13.251 -0.840 433 HD2 LYS 57 HD2 LYS 57 -5.078 15.895 -2.189 434 HD3 LYS 57 HD3 LYS 57 -6.585 15.023 -2.468 435 HE2 LYS 57 HE2 LYS 57 -5.554 15.847 0.265 436 HE3 LYS 57 HE3 LYS 57 -6.793 16.708 -0.643 437 HZ1 LYS 57 HZ1 LYS 57 -6.928 13.953 0.448 438 HZ2 LYS 57 HZ2 LYS 57 -8.035 14.544 -0.698 439 HZ3 LYS 57 HZ3 LYS 57 -7.918 15.278 0.829 440 H VAL 58 H VAL 58 -4.595 10.985 -1.407 441 HA VAL 58 HA VAL 58 -2.471 10.118 -3.277 442 HB VAL 58 HB VAL 58 -3.592 7.923 -3.317 443 HG11 VAL 58 HG11 VAL 58 -2.715 7.173 -1.266 444 HG12 VAL 58 HG12 VAL 58 -3.176 8.646 -0.412 445 HG13 VAL 58 HG13 VAL 58 -1.830 8.670 -1.545 446 HG21 VAL 58 HG21 VAL 58 -5.398 9.155 -1.199 447 HG22 VAL 58 HG22 VAL 58 -5.366 7.445 -1.630 448 HG23 VAL 58 HG23 VAL 58 -5.892 8.642 -2.814 449 H ASP 59 H ASP 59 -2.848 9.996 -5.359 450 HA ASP 59 HA ASP 59 -5.321 11.186 -6.388 451 HB2 ASP 59 HB2 ASP 59 -4.010 10.890 -8.666 452 HB3 ASP 59 HB3 ASP 59 -3.640 12.206 -7.584 453 H ASP 60 H ASP 60 -6.339 10.405 -8.258 454 HA ASP 60 HA ASP 60 -7.210 7.717 -8.078 455 HB2 ASP 60 HB2 ASP 60 -7.368 9.728 -10.340 456 HB3 ASP 60 HB3 ASP 60 -8.124 8.140 -10.413 457 H ALA 61 H ALA 61 -4.633 9.344 -9.785 458 HA ALA 61 HA ALA 61 -3.889 7.231 -11.562 459 HB1 ALA 61 HB1 ALA 61 -3.085 9.815 -11.253 460 HB2 ALA 61 HB2 ALA 61 -2.192 8.615 -12.184 461 HB3 ALA 61 HB3 ALA 61 -1.726 8.965 -10.521 462 H ASP 62 H ASP 62 -2.949 8.120 -8.247 463 HA ASP 62 HA ASP 62 -0.957 6.153 -7.887 464 HB2 ASP 62 HB2 ASP 62 -2.707 7.623 -5.915 465 HB3 ASP 62 HB3 ASP 62 -1.446 6.503 -5.425 466 H LEU 63 H LEU 63 -4.462 6.133 -7.294 467 HA LEU 63 HA LEU 63 -4.602 3.666 -5.964 468 HB2 LEU 63 HB2 LEU 63 -6.589 5.048 -7.780 469 HB3 LEU 63 HB3 LEU 63 -6.963 3.577 -6.884 470 HG LEU 63 HG LEU 63 -5.922 6.091 -5.550 471 HD11 LEU 63 HD11 LEU 63 -8.186 6.678 -5.013 472 HD12 LEU 63 HD12 LEU 63 -8.802 5.161 -5.667 473 HD13 LEU 63 HD13 LEU 63 -8.149 6.387 -6.752 474 HD21 LEU 63 HD21 LEU 63 -7.223 3.530 -4.572 475 HD22 LEU 63 HD22 LEU 63 -7.039 4.960 -3.557 476 HD23 LEU 63 HD23 LEU 63 -5.613 4.131 -4.179 477 H GLU 64 H GLU 64 -4.770 4.382 -9.472 478 HA GLU 64 HA GLU 64 -5.117 1.707 -10.298 479 HB2 GLU 64 HB2 GLU 64 -4.077 4.161 -11.715 480 HB3 GLU 64 HB3 GLU 64 -4.330 2.613 -12.521 481 HG2 GLU 64 HG2 GLU 64 -6.699 2.640 -11.850 482 HG3 GLU 64 HG3 GLU 64 -6.454 4.178 -11.029 483 H LYS 65 H LYS 65 -2.257 3.632 -9.606 484 HA LYS 65 HA LYS 65 -0.418 1.672 -10.725 485 HB2 LYS 65 HB2 LYS 65 0.037 4.206 -9.136 486 HB3 LYS 65 HB3 LYS 65 1.326 3.204 -9.803 487 HG2 LYS 65 HG2 LYS 65 0.419 3.537 -12.072 488 HG3 LYS 65 HG3 LYS 65 -0.878 4.530 -11.419 489 HD2 LYS 65 HD2 LYS 65 1.854 5.406 -10.611 490 HD3 LYS 65 HD3 LYS 65 1.543 5.499 -12.338 491 HE2 LYS 65 HE2 LYS 65 0.736 7.565 -11.752 492 HE3 LYS 65 HE3 LYS 65 -0.738 6.648 -11.456 493 HZ1 LYS 65 HZ1 LYS 65 -0.558 7.643 -9.445 494 HZ2 LYS 65 HZ2 LYS 65 1.127 7.839 -9.562 495 HZ3 LYS 65 HZ3 LYS 65 0.477 6.334 -9.128 496 H ILE 66 H ILE 66 -2.026 2.065 -7.748 497 HA ILE 66 HA ILE 66 0.010 0.479 -6.297 498 HB ILE 66 HB ILE 66 -2.213 2.248 -5.227 499 HG12 ILE 66 HG12 ILE 66 0.788 2.598 -4.975 500 HG13 ILE 66 HG13 ILE 66 -0.125 3.311 -6.300 501 HG21 ILE 66 HG21 ILE 66 -1.945 0.573 -3.578 502 HG22 ILE 66 HG22 ILE 66 -0.860 1.855 -3.045 503 HG23 ILE 66 HG23 ILE 66 -0.213 0.440 -3.867 504 HD11 ILE 66 HD11 ILE 66 -0.521 3.831 -3.337 505 HD12 ILE 66 HD12 ILE 66 -1.589 4.446 -4.598 506 HD13 ILE 66 HD13 ILE 66 0.094 4.970 -4.537 507 H SER 67 H SER 67 -0.409 -1.645 -6.430 508 HA SER 67 HA SER 67 -3.207 -2.555 -6.053 509 HB2 SER 67 HB2 SER 67 -0.980 -3.804 -7.671 510 HB3 SER 67 HB3 SER 67 -2.526 -4.583 -7.345 511 HG SER 67 HG SER 67 -1.887 -2.618 -9.121 512 H THR 68 H THR 68 0.200 -3.514 -5.556 513 HA THR 68 HA THR 68 -0.609 -5.348 -3.423 514 HB THR 68 HB THR 68 1.756 -6.106 -3.495 515 HG1 THR 68 HG1 THR 68 1.974 -4.244 -5.619 516 HG21 THR 68 HG21 THR 68 1.680 -7.110 -5.729 517 HG22 THR 68 HG22 THR 68 0.475 -5.926 -6.240 518 HG23 THR 68 HG23 THR 68 0.070 -7.122 -5.008 519 H VAL 69 H VAL 69 0.791 -5.403 -1.470 520 HA VAL 69 HA VAL 69 0.673 -2.949 -0.080 521 HB VAL 69 HB VAL 69 2.296 -5.414 0.612 522 HG11 VAL 69 HG11 VAL 69 2.887 -3.269 1.838 523 HG12 VAL 69 HG12 VAL 69 2.351 -4.595 2.864 524 HG13 VAL 69 HG13 VAL 69 1.244 -3.280 2.478 525 HG21 VAL 69 HG21 VAL 69 -0.269 -5.623 0.256 526 HG22 VAL 69 HG22 VAL 69 -0.406 -4.670 1.732 527 HG23 VAL 69 HG23 VAL 69 0.404 -6.235 1.764 528 H GLY 70 H GLY 70 3.181 -4.403 -2.053 529 HA2 GLY 70 HA2 GLY 70 5.436 -2.979 -1.119 530 HA3 GLY 70 HA3 GLY 70 5.239 -3.602 -2.757 531 H ASP 71 H ASP 71 2.995 -2.191 -3.553 532 HA ASP 71 HA ASP 71 4.091 0.288 -4.367 533 HB2 ASP 71 HB2 ASP 71 1.295 -0.839 -4.477 534 HB3 ASP 71 HB3 ASP 71 1.727 0.729 -5.157 535 H ILE 72 H ILE 72 1.779 -0.638 -1.831 536 HA ILE 72 HA ILE 72 1.015 1.969 -1.002 537 HB ILE 72 HB ILE 72 1.249 -0.650 0.525 538 HG12 ILE 72 HG12 ILE 72 -0.365 -0.620 -1.386 539 HG13 ILE 72 HG13 ILE 72 -1.131 -0.891 0.169 540 HG21 ILE 72 HG21 ILE 72 1.254 1.024 2.224 541 HG22 ILE 72 HG22 ILE 72 -0.411 0.445 2.132 542 HG23 ILE 72 HG23 ILE 72 0.029 1.984 1.390 543 HD11 ILE 72 HD11 ILE 72 -2.129 1.236 0.195 544 HD12 ILE 72 HD12 ILE 72 -2.234 0.788 -1.505 545 HD13 ILE 72 HD13 ILE 72 -0.986 1.903 -0.963 546 H VAL 73 H VAL 73 3.505 -0.258 0.190 547 HA VAL 73 HA VAL 73 4.596 1.387 2.167 548 HB VAL 73 HB VAL 73 5.796 -0.890 0.581 549 HG11 VAL 73 HG11 VAL 73 6.852 0.524 3.052 550 HG12 VAL 73 HG12 VAL 73 7.673 0.327 1.503 551 HG13 VAL 73 HG13 VAL 73 7.397 -1.074 2.539 552 HG21 VAL 73 HG21 VAL 73 5.151 -2.254 2.431 553 HG22 VAL 73 HG22 VAL 73 3.750 -1.250 2.062 554 HG23 VAL 73 HG23 VAL 73 4.785 -0.851 3.431 555 H SER 74 H SER 74 5.775 0.822 -1.153 556 HA SER 74 HA SER 74 7.945 2.626 -1.022 557 HB2 SER 74 HB2 SER 74 7.790 0.877 -2.731 558 HB3 SER 74 HB3 SER 74 6.377 1.663 -3.432 559 HG SER 74 HG SER 74 7.617 3.259 -4.176 560 H TYR 75 H TYR 75 4.587 3.060 -1.995 561 HA TYR 75 HA TYR 75 4.743 5.569 -3.203 562 HB2 TYR 75 HB2 TYR 75 2.759 4.194 -3.352 563 HB3 TYR 75 HB3 TYR 75 2.535 4.247 -1.608 564 HD1 TYR 75 HD1 TYR 75 2.563 6.349 -4.691 565 HD2 TYR 75 HD2 TYR 75 1.358 6.025 -0.584 566 HE1 TYR 75 HE1 TYR 75 1.200 8.405 -4.926 567 HE2 TYR 75 HE2 TYR 75 -0.005 8.075 -0.819 568 HH TYR 75 HH TYR 75 -0.115 10.054 -2.239 569 H ILE 76 H ILE 76 4.086 4.757 0.195 570 HA ILE 76 HA ILE 76 3.951 7.463 1.080 571 HB ILE 76 HB ILE 76 4.546 4.976 2.713 572 HG12 ILE 76 HG12 ILE 76 1.885 6.300 2.093 573 HG13 ILE 76 HG13 ILE 76 2.458 4.832 1.346 574 HG21 ILE 76 HG21 ILE 76 5.032 7.034 3.924 575 HG22 ILE 76 HG22 ILE 76 3.519 6.376 4.543 576 HG23 ILE 76 HG23 ILE 76 3.496 7.739 3.424 577 HD11 ILE 76 HD11 ILE 76 2.315 4.952 4.340 578 HD12 ILE 76 HD12 ILE 76 2.224 3.553 3.274 579 HD13 ILE 76 HD13 ILE 76 0.851 4.648 3.408 580 H GLU 77 H GLU 77 6.479 5.005 0.994 581 HA GLU 77 HA GLU 77 8.474 6.262 2.482 582 HB2 GLU 77 HB2 GLU 77 8.304 3.875 1.466 583 HB3 GLU 77 HB3 GLU 77 9.029 4.599 0.035 584 HG2 GLU 77 HG2 GLU 77 10.769 5.538 1.843 585 HG3 GLU 77 HG3 GLU 77 10.199 4.127 2.730 586 H LYS 78 H LYS 78 7.821 6.401 -1.015 587 HA LYS 78 HA LYS 78 10.026 8.151 -1.581 588 HB2 LYS 78 HB2 LYS 78 9.134 6.528 -3.231 589 HB3 LYS 78 HB3 LYS 78 7.623 7.432 -3.281 590 HG2 LYS 78 HG2 LYS 78 8.825 9.425 -4.093 591 HG3 LYS 78 HG3 LYS 78 10.350 8.540 -4.020 592 HD2 LYS 78 HD2 LYS 78 9.492 6.913 -5.663 593 HD3 LYS 78 HD3 LYS 78 7.966 7.795 -5.739 594 HE2 LYS 78 HE2 LYS 78 9.154 9.798 -6.545 595 HE3 LYS 78 HE3 LYS 78 10.686 8.926 -6.462 596 HZ1 LYS 78 HZ1 LYS 78 8.364 8.090 -8.112 597 HZ2 LYS 78 HZ2 LYS 78 9.908 7.382 -8.097 598 HZ3 LYS 78 HZ3 LYS 78 9.697 8.956 -8.703 599 H LYS 79 H LYS 79 6.518 8.525 -1.245 600 HA LYS 79 HA LYS 79 6.350 11.207 -2.028 601 HB2 LYS 79 HB2 LYS 79 4.421 9.638 -1.781 602 HB3 LYS 79 HB3 LYS 79 4.572 9.804 -0.032 603 HG2 LYS 79 HG2 LYS 79 3.746 11.954 -0.002 604 HG3 LYS 79 HG3 LYS 79 4.417 12.363 -1.579 605 HD2 LYS 79 HD2 LYS 79 2.112 10.425 -1.287 606 HD3 LYS 79 HD3 LYS 79 1.854 12.166 -1.416 607 HE2 LYS 79 HE2 LYS 79 3.335 12.059 -3.524 608 HE3 LYS 79 HE3 LYS 79 3.116 10.312 -3.446 609 HZ1 LYS 79 HZ1 LYS 79 0.994 10.465 -4.109 610 HZ2 LYS 79 HZ2 LYS 79 1.455 11.988 -4.705 611 HZ3 LYS 79 HZ3 LYS 79 0.683 11.862 -3.197 612 H LEU 80 H LEU 80 6.836 9.810 1.233 613 HA LEU 80 HA LEU 80 6.755 12.313 2.577 614 HB2 LEU 80 HB2 LEU 80 7.950 9.649 3.346 615 HB3 LEU 80 HB3 LEU 80 7.974 11.050 4.410 616 HG LEU 80 HG LEU 80 5.416 9.934 3.210 617 HD11 LEU 80 HD11 LEU 80 6.462 9.503 6.020 618 HD12 LEU 80 HD12 LEU 80 6.685 8.323 4.726 619 HD13 LEU 80 HD13 LEU 80 5.061 8.752 5.260 620 HD21 LEU 80 HD21 LEU 80 4.465 11.208 5.208 621 HD22 LEU 80 HD22 LEU 80 5.152 12.218 3.937 622 HD23 LEU 80 HD23 LEU 80 6.065 11.918 5.414 623 H GLY 81 H GLY 81 9.315 10.592 0.891 624 HA2 GLY 81 HA2 GLY 81 11.185 11.803 -0.008 625 HA3 GLY 81 HA3 GLY 81 11.096 12.896 1.370 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 12.830 11.884 7.637 2 H2 MET 1 HT2 MET 1 13.886 12.658 8.720 3 H3 MET 1 HT3 MET 1 12.211 12.929 8.821 4 HA MET 1 HA MET 1 13.789 10.628 9.707 5 HB2 MET 1 HB2 MET 1 11.307 12.029 10.754 6 HB3 MET 1 HB3 MET 1 12.176 10.738 11.581 7 HG2 MET 1 HG2 MET 1 13.382 13.416 10.816 8 HG3 MET 1 HG3 MET 1 12.805 12.999 12.427 9 HE1 MET 1 HE1 MET 1 13.595 11.404 13.896 10 HE2 MET 1 HE2 MET 1 15.123 10.528 13.876 11 HE3 MET 1 HE3 MET 1 13.769 9.943 12.914 12 H ALA 2 H ALA 2 13.425 8.946 8.338 13 HA ALA 2 HA ALA 2 10.737 7.812 8.306 14 HB1 ALA 2 HB1 ALA 2 10.805 7.466 5.841 15 HB2 ALA 2 HB2 ALA 2 12.244 8.482 5.766 16 HB3 ALA 2 HB3 ALA 2 10.705 9.169 6.288 17 H SER 3 H SER 3 10.725 5.570 7.576 18 HA SER 3 HA SER 3 13.186 4.211 7.047 19 HB2 SER 3 HB2 SER 3 13.244 4.544 9.564 20 HB3 SER 3 HB3 SER 3 11.813 3.519 9.651 21 HG SER 3 HG SER 3 14.405 2.839 9.328 22 H ARG 4 H ARG 4 12.751 2.213 6.055 23 HA ARG 4 HA ARG 4 10.218 1.796 4.973 24 HB2 ARG 4 HB2 ARG 4 12.308 0.843 4.043 25 HB3 ARG 4 HB3 ARG 4 12.399 -0.265 5.411 26 HG2 ARG 4 HG2 ARG 4 10.333 -1.344 4.761 27 HG3 ARG 4 HG3 ARG 4 10.039 -0.136 3.513 28 HD2 ARG 4 HD2 ARG 4 12.008 -0.877 2.277 29 HD3 ARG 4 HD3 ARG 4 12.413 -2.018 3.559 30 HE ARG 4 HE ARG 4 10.772 -3.450 2.747 31 HH11 ARG 4 HH11 ARG 4 10.345 -0.277 1.309 32 HH12 ARG 4 HH12 ARG 4 9.142 -0.825 0.188 33 HH21 ARG 4 HH21 ARG 4 9.189 -4.109 1.294 34 HH22 ARG 4 HH22 ARG 4 8.494 -2.975 0.183 35 H GLU 5 H GLU 5 11.716 0.375 7.852 36 HA GLU 5 HA GLU 5 9.775 -1.533 8.494 37 HB2 GLU 5 HB2 GLU 5 10.521 -1.254 10.857 38 HB3 GLU 5 HB3 GLU 5 11.867 -1.438 9.734 39 HG2 GLU 5 HG2 GLU 5 12.033 1.083 9.679 40 HG3 GLU 5 HG3 GLU 5 10.864 1.142 10.983 41 H GLU 6 H GLU 6 9.921 1.917 9.250 42 HA GLU 6 HA GLU 6 7.655 2.007 10.881 43 HB2 GLU 6 HB2 GLU 6 9.025 4.107 9.202 44 HB3 GLU 6 HB3 GLU 6 7.627 4.476 10.211 45 HG2 GLU 6 HG2 GLU 6 10.134 3.143 11.265 46 HG3 GLU 6 HG3 GLU 6 9.865 4.884 11.321 47 H ILE 7 H ILE 7 8.025 2.321 7.376 48 HA ILE 7 HA ILE 7 5.313 3.077 6.872 49 HB ILE 7 HB ILE 7 7.215 1.654 4.985 50 HG12 ILE 7 HG12 ILE 7 8.321 3.694 5.752 51 HG13 ILE 7 HG13 ILE 7 7.743 3.938 4.110 52 HG21 ILE 7 HG21 ILE 7 4.756 3.360 4.500 53 HG22 ILE 7 HG22 ILE 7 4.914 1.630 4.200 54 HG23 ILE 7 HG23 ILE 7 5.839 2.780 3.235 55 HD11 ILE 7 HD11 ILE 7 6.955 5.890 4.959 56 HD12 ILE 7 HD12 ILE 7 6.912 5.283 6.615 57 HD13 ILE 7 HD13 ILE 7 5.609 4.885 5.497 58 H PHE 8 H PHE 8 6.985 -0.019 6.258 59 HA PHE 8 HA PHE 8 4.782 -1.554 5.681 60 HB2 PHE 8 HB2 PHE 8 7.125 -2.285 5.397 61 HB3 PHE 8 HB3 PHE 8 7.284 -2.441 7.144 62 HD1 PHE 8 HD1 PHE 8 5.438 -3.728 4.171 63 HD2 PHE 8 HD2 PHE 8 6.495 -4.389 8.283 64 HE1 PHE 8 HE1 PHE 8 4.506 -6.022 4.043 65 HE2 PHE 8 HE2 PHE 8 5.563 -6.683 8.153 66 HZ PHE 8 HZ PHE 8 4.569 -7.500 6.033 67 H SER 9 H SER 9 6.185 -0.956 8.931 68 HA SER 9 HA SER 9 4.509 -2.694 10.359 69 HB2 SER 9 HB2 SER 9 6.502 -1.685 11.347 70 HB3 SER 9 HB3 SER 9 5.764 -0.089 11.249 71 HG SER 9 HG SER 9 4.967 -0.564 13.131 72 H LYS 10 H LYS 10 4.099 0.798 9.695 73 HA LYS 10 HA LYS 10 1.599 1.026 11.034 74 HB2 LYS 10 HB2 LYS 10 2.914 2.730 8.916 75 HB3 LYS 10 HB3 LYS 10 1.394 3.155 9.709 76 HG2 LYS 10 HG2 LYS 10 2.512 3.074 11.907 77 HG3 LYS 10 HG3 LYS 10 4.031 2.639 11.123 78 HD2 LYS 10 HD2 LYS 10 4.024 4.765 9.889 79 HD3 LYS 10 HD3 LYS 10 2.485 5.202 10.630 80 HE2 LYS 10 HE2 LYS 10 4.310 6.295 11.837 81 HE3 LYS 10 HE3 LYS 10 3.563 5.079 12.873 82 HZ1 LYS 10 HZ1 LYS 10 6.131 5.178 12.635 83 HZ2 LYS 10 HZ2 LYS 10 5.854 4.331 11.188 84 HZ3 LYS 10 HZ3 LYS 10 5.346 3.674 12.671 85 H VAL 11 H VAL 11 2.488 0.415 7.687 86 HA VAL 11 HA VAL 11 -0.074 0.589 6.542 87 HB VAL 11 HB VAL 11 2.423 -0.920 5.721 88 HG11 VAL 11 HG11 VAL 11 1.275 -0.942 3.417 89 HG12 VAL 11 HG12 VAL 11 -0.230 -0.626 4.280 90 HG13 VAL 11 HG13 VAL 11 0.677 -2.106 4.598 91 HG21 VAL 11 HG21 VAL 11 2.813 0.920 4.273 92 HG22 VAL 11 HG22 VAL 11 2.296 1.658 5.788 93 HG23 VAL 11 HG23 VAL 11 1.164 1.517 4.447 94 H LYS 12 H LYS 12 1.737 -2.135 7.896 95 HA LYS 12 HA LYS 12 -0.222 -4.119 7.422 96 HB2 LYS 12 HB2 LYS 12 2.171 -4.580 8.057 97 HB3 LYS 12 HB3 LYS 12 1.763 -4.080 9.697 98 HG2 LYS 12 HG2 LYS 12 -0.252 -5.949 9.008 99 HG3 LYS 12 HG3 LYS 12 1.229 -6.628 8.342 100 HD2 LYS 12 HD2 LYS 12 2.283 -6.703 10.470 101 HD3 LYS 12 HD3 LYS 12 1.100 -5.615 11.184 102 HE2 LYS 12 HE2 LYS 12 -0.371 -7.295 11.613 103 HE3 LYS 12 HE3 LYS 12 -0.097 -8.087 10.058 104 HZ1 LYS 12 HZ1 LYS 12 0.672 -9.354 12.059 105 HZ2 LYS 12 HZ2 LYS 12 1.857 -8.156 12.300 106 HZ3 LYS 12 HZ3 LYS 12 1.870 -9.093 10.885 107 H SER 13 H SER 13 0.291 -1.851 10.097 108 HA SER 13 HA SER 13 -1.448 -2.995 11.954 109 HB2 SER 13 HB2 SER 13 0.085 -1.176 12.518 110 HB3 SER 13 HB3 SER 13 -0.827 -0.069 11.495 111 HG SER 13 HG SER 13 -1.336 -0.088 13.822 112 H ILE 14 H ILE 14 -2.182 -0.677 9.330 113 HA ILE 14 HA ILE 14 -4.932 -0.400 10.106 114 HB ILE 14 HB ILE 14 -3.624 0.207 7.438 115 HG12 ILE 14 HG12 ILE 14 -2.467 1.449 9.207 116 HG13 ILE 14 HG13 ILE 14 -3.468 2.556 8.275 117 HG21 ILE 14 HG21 ILE 14 -6.217 0.080 7.666 118 HG22 ILE 14 HG22 ILE 14 -5.506 1.487 6.883 119 HG23 ILE 14 HG23 ILE 14 -6.056 1.592 8.553 120 HD11 ILE 14 HD11 ILE 14 -4.067 3.249 10.394 121 HD12 ILE 14 HD12 ILE 14 -3.740 1.674 11.117 122 HD13 ILE 14 HD13 ILE 14 -5.237 1.939 10.225 123 H ILE 15 H ILE 15 -3.300 -2.149 7.444 124 HA ILE 15 HA ILE 15 -5.591 -3.316 6.337 125 HB ILE 15 HB ILE 15 -2.691 -4.207 6.316 126 HG12 ILE 15 HG12 ILE 15 -4.297 -2.831 4.147 127 HG13 ILE 15 HG13 ILE 15 -3.387 -1.928 5.353 128 HG21 ILE 15 HG21 ILE 15 -3.289 -5.548 4.328 129 HG22 ILE 15 HG22 ILE 15 -4.980 -5.083 4.511 130 HG23 ILE 15 HG23 ILE 15 -4.208 -6.096 5.731 131 HD11 ILE 15 HD11 ILE 15 -1.317 -2.741 4.580 132 HD12 ILE 15 HD12 ILE 15 -2.222 -2.468 3.091 133 HD13 ILE 15 HD13 ILE 15 -2.056 -4.101 3.737 134 H SER 16 H SER 16 -3.302 -4.629 8.696 135 HA SER 16 HA SER 16 -4.451 -7.169 8.965 136 HB2 SER 16 HB2 SER 16 -2.172 -6.699 9.678 137 HB3 SER 16 HB3 SER 16 -2.763 -5.598 10.920 138 HG SER 16 HG SER 16 -2.532 -8.284 10.971 139 H GLU 17 H GLU 17 -5.011 -4.178 10.792 140 HA GLU 17 HA GLU 17 -6.726 -5.491 12.701 141 HB2 GLU 17 HB2 GLU 17 -7.039 -3.348 13.702 142 HB3 GLU 17 HB3 GLU 17 -5.357 -3.439 13.192 143 HG2 GLU 17 HG2 GLU 17 -6.026 -2.204 11.089 144 HG3 GLU 17 HG3 GLU 17 -7.610 -1.977 11.804 145 H LYS 18 H LYS 18 -7.229 -3.971 9.600 146 HA LYS 18 HA LYS 18 -10.118 -3.754 9.991 147 HB2 LYS 18 HB2 LYS 18 -8.159 -2.776 7.998 148 HB3 LYS 18 HB3 LYS 18 -9.687 -3.285 7.300 149 HG2 LYS 18 HG2 LYS 18 -10.319 -1.140 7.784 150 HG3 LYS 18 HG3 LYS 18 -10.638 -1.810 9.379 151 HD2 LYS 18 HD2 LYS 18 -8.383 -1.118 10.115 152 HD3 LYS 18 HD3 LYS 18 -8.066 -0.451 8.516 153 HE2 LYS 18 HE2 LYS 18 -9.952 1.111 8.787 154 HE3 LYS 18 HE3 LYS 18 -10.279 0.443 10.387 155 HZ1 LYS 18 HZ1 LYS 18 -8.325 1.305 11.240 156 HZ2 LYS 18 HZ2 LYS 18 -8.854 2.548 10.207 157 HZ3 LYS 18 HZ3 LYS 18 -7.611 1.500 9.713 158 H LEU 19 H LEU 19 -7.810 -5.901 8.463 159 HA LEU 19 HA LEU 19 -10.004 -7.450 7.235 160 HB2 LEU 19 HB2 LEU 19 -7.015 -7.666 6.796 161 HB3 LEU 19 HB3 LEU 19 -8.253 -8.571 5.933 162 HG LEU 19 HG LEU 19 -8.015 -5.544 5.924 163 HD11 LEU 19 HD11 LEU 19 -7.033 -5.735 3.748 164 HD12 LEU 19 HD12 LEU 19 -7.365 -7.467 3.677 165 HD13 LEU 19 HD13 LEU 19 -6.143 -6.849 4.786 166 HD21 LEU 19 HD21 LEU 19 -9.561 -5.814 3.919 167 HD22 LEU 19 HD22 LEU 19 -10.300 -6.210 5.470 168 HD23 LEU 19 HD23 LEU 19 -9.767 -7.499 4.393 169 H GLY 20 H GLY 20 -7.796 -7.531 9.888 170 HA2 GLY 20 HA2 GLY 20 -7.480 -9.106 11.557 171 HA3 GLY 20 HA3 GLY 20 -8.838 -10.010 10.880 172 H VAL 21 H VAL 21 -5.835 -8.994 9.319 173 HA VAL 21 HA VAL 21 -5.113 -11.845 8.882 174 HB VAL 21 HB VAL 21 -4.716 -9.561 6.925 175 HG11 VAL 21 HG11 VAL 21 -4.010 -11.276 5.368 176 HG12 VAL 21 HG12 VAL 21 -4.402 -12.550 6.523 177 HG13 VAL 21 HG13 VAL 21 -3.059 -11.452 6.844 178 HG21 VAL 21 HG21 VAL 21 -7.128 -10.249 7.224 179 HG22 VAL 21 HG22 VAL 21 -6.669 -11.885 6.751 180 HG23 VAL 21 HG23 VAL 21 -6.504 -10.558 5.603 181 H ASP 22 H ASP 22 -2.950 -12.391 9.086 182 HA ASP 22 HA ASP 22 -1.262 -10.408 10.384 183 HB2 ASP 22 HB2 ASP 22 -1.293 -13.370 10.174 184 HB3 ASP 22 HB3 ASP 22 0.285 -12.606 10.359 185 H GLU 23 H GLU 23 0.710 -9.816 9.744 186 HA GLU 23 HA GLU 23 1.166 -8.996 7.220 187 HB2 GLU 23 HB2 GLU 23 3.484 -8.633 7.782 188 HB3 GLU 23 HB3 GLU 23 2.485 -8.306 9.190 189 HG2 GLU 23 HG2 GLU 23 2.942 -10.763 9.843 190 HG3 GLU 23 HG3 GLU 23 4.233 -10.685 8.646 191 H SER 24 H SER 24 1.553 -12.329 8.208 192 HA SER 24 HA SER 24 3.483 -13.223 6.394 193 HB2 SER 24 HB2 SER 24 2.374 -15.412 6.552 194 HB3 SER 24 HB3 SER 24 2.477 -14.656 8.139 195 HG SER 24 HG SER 24 0.399 -15.165 8.066 196 H GLN 25 H GLN 25 0.044 -12.553 5.978 197 HA GLN 25 HA GLN 25 -0.106 -13.375 3.216 198 HB2 GLN 25 HB2 GLN 25 -1.880 -11.716 5.004 199 HB3 GLN 25 HB3 GLN 25 -2.254 -12.006 3.309 200 HG2 GLN 25 HG2 GLN 25 -1.729 -14.225 5.297 201 HG3 GLN 25 HG3 GLN 25 -3.344 -13.624 4.920 202 HE21 GLN 25 HE21 GLN 25 -3.514 -13.374 2.257 203 HE22 GLN 25 HE22 GLN 25 -3.082 -14.806 1.447 204 H VAL 26 H VAL 26 0.877 -10.530 4.937 205 HA VAL 26 HA VAL 26 0.579 -8.686 2.760 206 HB VAL 26 HB VAL 26 2.009 -8.436 5.415 207 HG11 VAL 26 HG11 VAL 26 1.147 -6.178 3.596 208 HG12 VAL 26 HG12 VAL 26 2.780 -6.841 3.566 209 HG13 VAL 26 HG13 VAL 26 2.161 -6.087 5.034 210 HG21 VAL 26 HG21 VAL 26 -0.645 -7.267 4.537 211 HG22 VAL 26 HG22 VAL 26 0.036 -7.277 6.163 212 HG23 VAL 26 HG23 VAL 26 -0.507 -8.783 5.426 213 H THR 27 H THR 27 1.917 -8.468 1.097 214 HA THR 27 HA THR 27 4.804 -8.859 1.463 215 HB THR 27 HB THR 27 3.470 -10.155 -0.912 216 HG1 THR 27 HG1 THR 27 4.218 -11.413 1.498 217 HG21 THR 27 HG21 THR 27 5.897 -9.667 -0.999 218 HG22 THR 27 HG22 THR 27 5.578 -11.398 -1.005 219 HG23 THR 27 HG23 THR 27 6.125 -10.609 0.472 220 H GLU 28 H GLU 28 6.044 -7.792 -0.118 221 HA GLU 28 HA GLU 28 4.971 -5.408 -1.137 222 HB2 GLU 28 HB2 GLU 28 7.472 -6.939 -1.862 223 HB3 GLU 28 HB3 GLU 28 7.073 -5.371 -2.566 224 HG2 GLU 28 HG2 GLU 28 8.434 -4.793 -0.752 225 HG3 GLU 28 HG3 GLU 28 6.817 -4.576 -0.099 226 H GLU 29 H GLU 29 5.073 -8.650 -2.415 227 HA GLU 29 HA GLU 29 4.117 -7.715 -5.050 228 HB2 GLU 29 HB2 GLU 29 5.232 -10.401 -4.223 229 HB3 GLU 29 HB3 GLU 29 4.669 -9.991 -5.842 230 HG2 GLU 29 HG2 GLU 29 6.338 -8.155 -5.932 231 HG3 GLU 29 HG3 GLU 29 6.930 -8.636 -4.345 232 H ALA 30 H ALA 30 2.808 -8.712 -2.184 233 HA ALA 30 HA ALA 30 0.784 -10.498 -3.262 234 HB1 ALA 30 HB1 ALA 30 1.433 -9.409 -0.542 235 HB2 ALA 30 HB2 ALA 30 1.299 -11.088 -1.069 236 HB3 ALA 30 HB3 ALA 30 -0.155 -10.113 -0.850 237 H LYS 31 H LYS 31 -1.261 -9.974 -3.775 238 HA LYS 31 HA LYS 31 -1.939 -7.168 -4.093 239 HB2 LYS 31 HB2 LYS 31 -3.457 -9.707 -4.694 240 HB3 LYS 31 HB3 LYS 31 -4.024 -8.090 -5.098 241 HG2 LYS 31 HG2 LYS 31 -1.318 -9.028 -6.051 242 HG3 LYS 31 HG3 LYS 31 -2.776 -9.503 -6.920 243 HD2 LYS 31 HD2 LYS 31 -3.398 -7.020 -6.956 244 HD3 LYS 31 HD3 LYS 31 -1.747 -6.701 -6.426 245 HE2 LYS 31 HE2 LYS 31 -1.846 -6.558 -8.859 246 HE3 LYS 31 HE3 LYS 31 -0.905 -7.977 -8.399 247 HZ1 LYS 31 HZ1 LYS 31 -3.754 -8.448 -8.681 248 HZ2 LYS 31 HZ2 LYS 31 -2.432 -9.366 -9.236 249 HZ3 LYS 31 HZ3 LYS 31 -2.961 -8.017 -10.121 250 H LEU 32 H LEU 32 -3.228 -6.028 -2.756 251 HA LEU 32 HA LEU 32 -3.966 -7.033 -0.220 252 HB2 LEU 32 HB2 LEU 32 -4.773 -4.554 -1.740 253 HB3 LEU 32 HB3 LEU 32 -5.336 -4.890 -0.103 254 HG LEU 32 HG LEU 32 -2.387 -4.925 -0.822 255 HD11 LEU 32 HD11 LEU 32 -4.098 -2.620 0.176 256 HD12 LEU 32 HD12 LEU 32 -3.211 -2.687 -1.348 257 HD13 LEU 32 HD13 LEU 32 -2.336 -2.626 0.183 258 HD21 LEU 32 HD21 LEU 32 -2.849 -6.018 1.263 259 HD22 LEU 32 HD22 LEU 32 -3.999 -4.770 1.741 260 HD23 LEU 32 HD23 LEU 32 -2.276 -4.404 1.681 261 H ILE 33 H ILE 33 -5.792 -6.705 -3.243 262 HA ILE 33 HA ILE 33 -8.218 -7.632 -1.931 263 HB ILE 33 HB ILE 33 -8.326 -5.813 -3.598 264 HG12 ILE 33 HG12 ILE 33 -9.796 -8.246 -4.635 265 HG13 ILE 33 HG13 ILE 33 -10.227 -7.476 -3.108 266 HG21 ILE 33 HG21 ILE 33 -7.737 -7.944 -5.669 267 HG22 ILE 33 HG22 ILE 33 -6.519 -6.812 -5.082 268 HG23 ILE 33 HG23 ILE 33 -7.944 -6.212 -5.933 269 HD11 ILE 33 HD11 ILE 33 -11.562 -6.661 -5.093 270 HD12 ILE 33 HD12 ILE 33 -10.066 -5.990 -5.748 271 HD13 ILE 33 HD13 ILE 33 -10.710 -5.386 -4.220 272 H ASP 34 H ASP 34 -6.027 -8.851 -4.477 273 HA ASP 34 HA ASP 34 -7.528 -11.312 -4.729 274 HB2 ASP 34 HB2 ASP 34 -4.864 -10.524 -5.913 275 HB3 ASP 34 HB3 ASP 34 -5.804 -11.939 -6.359 276 H ASP 35 H ASP 35 -4.612 -10.329 -3.009 277 HA ASP 35 HA ASP 35 -4.010 -13.132 -2.356 278 HB2 ASP 35 HB2 ASP 35 -2.275 -11.398 -3.157 279 HB3 ASP 35 HB3 ASP 35 -2.343 -10.799 -1.502 280 H LEU 36 H LEU 36 -5.390 -10.297 -0.902 281 HA LEU 36 HA LEU 36 -5.266 -11.637 1.742 282 HB2 LEU 36 HB2 LEU 36 -4.963 -8.777 0.966 283 HB3 LEU 36 HB3 LEU 36 -5.832 -9.108 2.456 284 HG LEU 36 HG LEU 36 -3.823 -10.606 3.078 285 HD11 LEU 36 HD11 LEU 36 -1.689 -9.683 1.916 286 HD12 LEU 36 HD12 LEU 36 -2.784 -9.150 0.642 287 HD13 LEU 36 HD13 LEU 36 -2.658 -10.864 1.038 288 HD21 LEU 36 HD21 LEU 36 -3.549 -7.595 2.802 289 HD22 LEU 36 HD22 LEU 36 -2.475 -8.592 3.784 290 HD23 LEU 36 HD23 LEU 36 -4.189 -8.478 4.187 291 H GLY 37 H GLY 37 -7.310 -10.449 -0.782 292 HA2 GLY 37 HA2 GLY 37 -9.592 -10.872 -1.019 293 HA3 GLY 37 HA3 GLY 37 -9.655 -11.377 0.663 294 H ALA 38 H ALA 38 -8.153 -8.327 -0.037 295 HA ALA 38 HA ALA 38 -10.257 -6.930 1.419 296 HB1 ALA 38 HB1 ALA 38 -8.751 -5.115 1.562 297 HB2 ALA 38 HB2 ALA 38 -7.830 -5.660 0.161 298 HB3 ALA 38 HB3 ALA 38 -7.722 -6.542 1.684 299 H ASP 39 H ASP 39 -12.001 -6.531 0.262 300 HA ASP 39 HA ASP 39 -12.158 -6.236 -2.518 301 HB2 ASP 39 HB2 ASP 39 -14.074 -6.740 -0.952 302 HB3 ASP 39 HB3 ASP 39 -14.088 -5.030 -0.525 303 H SER 40 H SER 40 -12.553 -4.383 -3.820 304 HA SER 40 HA SER 40 -10.752 -2.334 -3.613 305 HB2 SER 40 HB2 SER 40 -12.117 -1.110 -5.249 306 HB3 SER 40 HB3 SER 40 -11.992 -2.817 -5.663 307 HG SER 40 HG SER 40 -14.113 -2.502 -5.774 308 H LEU 41 H LEU 41 -14.063 -2.355 -2.306 309 HA LEU 41 HA LEU 41 -14.131 0.369 -1.513 310 HB2 LEU 41 HB2 LEU 41 -16.150 -1.074 -1.569 311 HB3 LEU 41 HB3 LEU 41 -15.497 -2.032 -0.244 312 HG LEU 41 HG LEU 41 -15.485 0.045 1.175 313 HD11 LEU 41 HD11 LEU 41 -16.970 1.928 0.345 314 HD12 LEU 41 HD12 LEU 41 -16.894 1.189 -1.255 315 HD13 LEU 41 HD13 LEU 41 -15.422 1.788 -0.489 316 HD21 LEU 41 HD21 LEU 41 -17.963 0.100 1.473 317 HD22 LEU 41 HD22 LEU 41 -17.331 -1.541 1.347 318 HD23 LEU 41 HD23 LEU 41 -18.136 -0.798 -0.035 319 H ASP 42 H ASP 42 -13.202 -2.591 0.178 320 HA ASP 42 HA ASP 42 -12.426 -1.444 2.628 321 HB2 ASP 42 HB2 ASP 42 -11.516 -3.962 1.228 322 HB3 ASP 42 HB3 ASP 42 -11.009 -3.528 2.858 323 H LEU 43 H LEU 43 -10.632 -2.030 -0.361 324 HA LEU 43 HA LEU 43 -8.062 -1.351 0.513 325 HB2 LEU 43 HB2 LEU 43 -8.564 -2.479 -1.634 326 HB3 LEU 43 HB3 LEU 43 -9.302 -1.000 -2.235 327 HG LEU 43 HG LEU 43 -7.100 0.170 -1.917 328 HD11 LEU 43 HD11 LEU 43 -6.144 -2.646 -1.312 329 HD12 LEU 43 HD12 LEU 43 -6.087 -1.259 -0.224 330 HD13 LEU 43 HD13 LEU 43 -5.077 -1.288 -1.670 331 HD21 LEU 43 HD21 LEU 43 -7.100 -2.290 -3.692 332 HD22 LEU 43 HD22 LEU 43 -5.999 -0.922 -3.865 333 HD23 LEU 43 HD23 LEU 43 -7.731 -0.699 -4.116 334 H VAL 44 H VAL 44 -10.683 0.641 -0.845 335 HA VAL 44 HA VAL 44 -9.255 3.060 -1.012 336 HB VAL 44 HB VAL 44 -12.210 2.502 -0.621 337 HG11 VAL 44 HG11 VAL 44 -11.764 4.784 0.157 338 HG12 VAL 44 HG12 VAL 44 -12.574 4.841 -1.409 339 HG13 VAL 44 HG13 VAL 44 -10.836 5.123 -1.304 340 HG21 VAL 44 HG21 VAL 44 -10.753 3.467 -3.090 341 HG22 VAL 44 HG22 VAL 44 -12.376 2.785 -2.982 342 HG23 VAL 44 HG23 VAL 44 -10.967 1.755 -2.736 343 H ASP 45 H ASP 45 -11.194 1.659 1.611 344 HA ASP 45 HA ASP 45 -10.963 3.802 3.428 345 HB2 ASP 45 HB2 ASP 45 -12.579 1.930 3.660 346 HB3 ASP 45 HB3 ASP 45 -11.239 0.853 4.051 347 H LEU 46 H LEU 46 -8.963 0.908 2.926 348 HA LEU 46 HA LEU 46 -7.203 1.277 5.111 349 HB2 LEU 46 HB2 LEU 46 -6.834 -0.094 2.440 350 HB3 LEU 46 HB3 LEU 46 -5.658 -0.179 3.748 351 HG LEU 46 HG LEU 46 -8.565 -0.958 4.098 352 HD11 LEU 46 HD11 LEU 46 -7.585 -3.332 4.027 353 HD12 LEU 46 HD12 LEU 46 -6.168 -2.607 3.271 354 HD13 LEU 46 HD13 LEU 46 -7.739 -2.499 2.481 355 HD21 LEU 46 HD21 LEU 46 -6.042 -1.270 5.739 356 HD22 LEU 46 HD22 LEU 46 -7.458 -2.284 6.021 357 HD23 LEU 46 HD23 LEU 46 -7.573 -0.536 6.213 358 H VAL 47 H VAL 47 -6.785 2.177 1.657 359 HA VAL 47 HA VAL 47 -4.316 3.451 2.030 360 HB VAL 47 HB VAL 47 -5.126 2.811 -0.200 361 HG11 VAL 47 HG11 VAL 47 -6.806 4.260 -1.334 362 HG12 VAL 47 HG12 VAL 47 -7.084 5.097 0.192 363 HG13 VAL 47 HG13 VAL 47 -7.486 3.389 0.038 364 HG21 VAL 47 HG21 VAL 47 -4.341 4.767 -1.396 365 HG22 VAL 47 HG22 VAL 47 -3.410 4.621 0.094 366 HG23 VAL 47 HG23 VAL 47 -4.708 5.810 -0.022 367 H MET 48 H MET 48 -7.640 4.673 2.341 368 HA MET 48 HA MET 48 -7.076 7.401 2.633 369 HB2 MET 48 HB2 MET 48 -9.363 6.423 2.408 370 HB3 MET 48 HB3 MET 48 -9.225 5.788 4.045 371 HG2 MET 48 HG2 MET 48 -10.463 7.889 4.110 372 HG3 MET 48 HG3 MET 48 -8.893 8.125 4.878 373 HE1 MET 48 HE1 MET 48 -10.010 8.118 0.900 374 HE2 MET 48 HE2 MET 48 -10.588 9.778 1.029 375 HE3 MET 48 HE3 MET 48 -11.218 8.547 2.119 376 H ASP 49 H ASP 49 -7.173 4.767 5.025 377 HA ASP 49 HA ASP 49 -6.709 6.229 7.348 378 HB2 ASP 49 HB2 ASP 49 -7.099 3.693 7.104 379 HB3 ASP 49 HB3 ASP 49 -5.354 3.572 6.863 380 H PHE 50 H PHE 50 -4.410 5.087 4.902 381 HA PHE 50 HA PHE 50 -2.059 6.097 6.252 382 HB2 PHE 50 HB2 PHE 50 -2.318 5.597 3.277 383 HB3 PHE 50 HB3 PHE 50 -0.851 5.594 4.242 384 HD1 PHE 50 HD1 PHE 50 -2.116 3.436 2.334 385 HD2 PHE 50 HD2 PHE 50 -2.001 3.877 6.610 386 HE1 PHE 50 HE1 PHE 50 -2.365 0.991 2.593 387 HE2 PHE 50 HE2 PHE 50 -2.251 1.427 6.859 388 HZ PHE 50 HZ PHE 50 -2.444 -0.010 4.849 389 H GLU 51 H GLU 51 -4.375 7.324 3.931 390 HA GLU 51 HA GLU 51 -3.040 9.576 2.931 391 HB2 GLU 51 HB2 GLU 51 -5.225 8.605 2.102 392 HB3 GLU 51 HB3 GLU 51 -6.010 9.360 3.482 393 HG2 GLU 51 HG2 GLU 51 -5.156 11.573 2.723 394 HG3 GLU 51 HG3 GLU 51 -4.486 10.784 1.296 395 H SER 52 H SER 52 -5.032 9.148 5.838 396 HA SER 52 HA SER 52 -4.643 11.926 6.646 397 HB2 SER 52 HB2 SER 52 -6.118 9.630 7.950 398 HB3 SER 52 HB3 SER 52 -6.053 11.269 8.593 399 HG SER 52 HG SER 52 -7.391 11.911 7.084 400 H GLU 53 H GLU 53 -3.640 8.684 7.611 401 HA GLU 53 HA GLU 53 -2.387 9.307 10.042 402 HB2 GLU 53 HB2 GLU 53 -2.818 6.990 9.252 403 HB3 GLU 53 HB3 GLU 53 -1.543 7.176 8.050 404 HG2 GLU 53 HG2 GLU 53 0.106 7.547 9.839 405 HG3 GLU 53 HG3 GLU 53 -1.165 7.395 11.053 406 H PHE 54 H PHE 54 -0.943 9.140 6.755 407 HA PHE 54 HA PHE 54 1.544 10.273 7.752 408 HB2 PHE 54 HB2 PHE 54 0.649 9.371 5.012 409 HB3 PHE 54 HB3 PHE 54 2.238 10.062 5.330 410 HD1 PHE 54 HD1 PHE 54 0.076 7.142 5.731 411 HD2 PHE 54 HD2 PHE 54 3.824 8.909 6.868 412 HE1 PHE 54 HE1 PHE 54 0.871 4.936 6.542 413 HE2 PHE 54 HE2 PHE 54 4.618 6.702 7.676 414 HZ PHE 54 HZ PHE 54 3.141 4.717 7.514 415 H GLY 55 H GLY 55 -1.339 11.698 6.966 416 HA2 GLY 55 HA2 GLY 55 -1.941 13.861 6.441 417 HA3 GLY 55 HA3 GLY 55 -0.291 14.310 6.865 418 H VAL 56 H VAL 56 -1.267 12.075 4.318 419 HA VAL 56 HA VAL 56 -0.322 14.003 2.279 420 HB VAL 56 HB VAL 56 0.694 12.100 1.047 421 HG11 VAL 56 HG11 VAL 56 2.675 11.992 2.351 422 HG12 VAL 56 HG12 VAL 56 1.785 12.179 3.860 423 HG13 VAL 56 HG13 VAL 56 1.941 13.543 2.754 424 HG21 VAL 56 HG21 VAL 56 -0.184 10.571 3.508 425 HG22 VAL 56 HG22 VAL 56 1.098 9.986 2.448 426 HG23 VAL 56 HG23 VAL 56 -0.536 10.201 1.820 427 H LYS 57 H LYS 57 -1.284 13.856 0.245 428 HA LYS 57 HA LYS 57 -3.932 12.558 0.244 429 HB2 LYS 57 HB2 LYS 57 -3.813 15.037 -0.095 430 HB3 LYS 57 HB3 LYS 57 -2.888 14.756 -1.563 431 HG2 LYS 57 HG2 LYS 57 -5.161 15.060 -2.258 432 HG3 LYS 57 HG3 LYS 57 -4.831 13.337 -2.390 433 HD2 LYS 57 HD2 LYS 57 -6.977 13.528 -1.349 434 HD3 LYS 57 HD3 LYS 57 -5.859 13.084 -0.067 435 HE2 LYS 57 HE2 LYS 57 -5.716 15.411 0.667 436 HE3 LYS 57 HE3 LYS 57 -6.731 15.923 -0.681 437 HZ1 LYS 57 HZ1 LYS 57 -7.737 13.850 1.131 438 HZ2 LYS 57 HZ2 LYS 57 -8.591 15.030 0.256 439 HZ3 LYS 57 HZ3 LYS 57 -7.747 15.459 1.667 440 H VAL 58 H VAL 58 -4.573 11.167 -1.417 441 HA VAL 58 HA VAL 58 -2.378 10.197 -3.133 442 HB VAL 58 HB VAL 58 -3.729 8.130 -3.360 443 HG11 VAL 58 HG11 VAL 58 -2.068 8.092 -1.652 444 HG12 VAL 58 HG12 VAL 58 -3.529 7.456 -0.897 445 HG13 VAL 58 HG13 VAL 58 -3.027 9.120 -0.589 446 HG21 VAL 58 HG21 VAL 58 -5.687 7.801 -1.892 447 HG22 VAL 58 HG22 VAL 58 -5.966 9.148 -2.996 448 HG23 VAL 58 HG23 VAL 58 -5.543 9.461 -1.313 449 H ASP 59 H ASP 59 -2.514 10.181 -5.255 450 HA ASP 59 HA ASP 59 -4.689 11.655 -6.525 451 HB2 ASP 59 HB2 ASP 59 -3.158 11.134 -8.642 452 HB3 ASP 59 HB3 ASP 59 -2.779 12.427 -7.537 453 H ASP 60 H ASP 60 -5.497 10.998 -8.599 454 HA ASP 60 HA ASP 60 -6.778 8.464 -8.533 455 HB2 ASP 60 HB2 ASP 60 -6.328 10.447 -10.783 456 HB3 ASP 60 HB3 ASP 60 -7.281 8.980 -10.971 457 H ALA 61 H ALA 61 -3.817 9.726 -9.895 458 HA ALA 61 HA ALA 61 -3.100 7.533 -11.562 459 HB1 ALA 61 HB1 ALA 61 -0.897 8.937 -10.169 460 HB2 ALA 61 HB2 ALA 61 -2.001 9.975 -11.070 461 HB3 ALA 61 HB3 ALA 61 -1.153 8.665 -11.890 462 H ASP 62 H ASP 62 -2.519 8.260 -8.125 463 HA ASP 62 HA ASP 62 -0.914 6.015 -7.497 464 HB2 ASP 62 HB2 ASP 62 -2.785 7.685 -5.803 465 HB3 ASP 62 HB3 ASP 62 -1.746 6.439 -5.149 466 H LEU 63 H LEU 63 -4.404 6.565 -7.473 467 HA LEU 63 HA LEU 63 -5.156 4.045 -6.407 468 HB2 LEU 63 HB2 LEU 63 -6.641 6.027 -8.139 469 HB3 LEU 63 HB3 LEU 63 -7.386 4.579 -7.467 470 HG LEU 63 HG LEU 63 -5.971 6.644 -5.755 471 HD11 LEU 63 HD11 LEU 63 -7.961 7.566 -7.024 472 HD12 LEU 63 HD12 LEU 63 -8.124 7.610 -5.269 473 HD13 LEU 63 HD13 LEU 63 -8.955 6.365 -6.200 474 HD21 LEU 63 HD21 LEU 63 -6.189 4.519 -4.635 475 HD22 LEU 63 HD22 LEU 63 -7.849 4.324 -5.199 476 HD23 LEU 63 HD23 LEU 63 -7.465 5.558 -3.998 477 H GLU 64 H GLU 64 -4.047 4.997 -9.550 478 HA GLU 64 HA GLU 64 -5.136 2.615 -10.853 479 HB2 GLU 64 HB2 GLU 64 -3.558 4.972 -11.886 480 HB3 GLU 64 HB3 GLU 64 -3.982 3.582 -12.883 481 HG2 GLU 64 HG2 GLU 64 -5.969 5.341 -11.413 482 HG3 GLU 64 HG3 GLU 64 -5.617 5.434 -13.136 483 H LYS 65 H LYS 65 -2.178 3.601 -9.304 484 HA LYS 65 HA LYS 65 -0.793 1.291 -10.561 485 HB2 LYS 65 HB2 LYS 65 1.340 2.376 -10.047 486 HB3 LYS 65 HB3 LYS 65 0.329 3.382 -11.078 487 HG2 LYS 65 HG2 LYS 65 -0.339 4.730 -9.131 488 HG3 LYS 65 HG3 LYS 65 0.615 3.698 -8.072 489 HD2 LYS 65 HD2 LYS 65 2.669 4.343 -9.181 490 HD3 LYS 65 HD3 LYS 65 1.779 5.226 -10.419 491 HE2 LYS 65 HE2 LYS 65 1.563 5.943 -7.490 492 HE3 LYS 65 HE3 LYS 65 2.822 6.620 -8.523 493 HZ1 LYS 65 HZ1 LYS 65 0.896 8.072 -8.459 494 HZ2 LYS 65 HZ2 LYS 65 -0.101 6.809 -8.986 495 HZ3 LYS 65 HZ3 LYS 65 1.091 7.430 -10.020 496 H ILE 66 H ILE 66 -2.384 1.899 -7.784 497 HA ILE 66 HA ILE 66 -0.436 0.441 -6.100 498 HB ILE 66 HB ILE 66 -2.815 2.151 -5.329 499 HG12 ILE 66 HG12 ILE 66 0.128 2.516 -4.713 500 HG13 ILE 66 HG13 ILE 66 -0.634 3.228 -6.130 501 HG21 ILE 66 HG21 ILE 66 -2.221 1.751 -3.015 502 HG22 ILE 66 HG22 ILE 66 -0.833 0.771 -3.485 503 HG23 ILE 66 HG23 ILE 66 -2.469 0.183 -3.778 504 HD11 ILE 66 HD11 ILE 66 -1.406 3.724 -3.237 505 HD12 ILE 66 HD12 ILE 66 -2.265 4.381 -4.631 506 HD13 ILE 66 HD13 ILE 66 -0.598 4.866 -4.312 507 H SER 67 H SER 67 -0.717 -1.693 -6.348 508 HA SER 67 HA SER 67 -3.457 -2.778 -6.035 509 HB2 SER 67 HB2 SER 67 -1.149 -3.860 -7.664 510 HB3 SER 67 HB3 SER 67 -2.654 -4.729 -7.370 511 HG SER 67 HG SER 67 -3.759 -3.156 -8.474 512 H THR 68 H THR 68 -0.003 -3.631 -5.614 513 HA THR 68 HA THR 68 -0.715 -5.473 -3.450 514 HB THR 68 HB THR 68 1.653 -6.206 -3.605 515 HG1 THR 68 HG1 THR 68 1.794 -4.369 -5.757 516 HG21 THR 68 HG21 THR 68 1.517 -7.185 -5.862 517 HG22 THR 68 HG22 THR 68 0.247 -6.039 -6.291 518 HG23 THR 68 HG23 THR 68 -0.048 -7.262 -5.054 519 H VAL 69 H VAL 69 0.759 -5.522 -1.561 520 HA VAL 69 HA VAL 69 0.676 -3.092 -0.132 521 HB VAL 69 HB VAL 69 2.399 -5.519 0.434 522 HG11 VAL 69 HG11 VAL 69 2.886 -3.299 1.664 523 HG12 VAL 69 HG12 VAL 69 2.646 -4.735 2.641 524 HG13 VAL 69 HG13 VAL 69 1.342 -3.563 2.470 525 HG21 VAL 69 HG21 VAL 69 -0.257 -4.930 1.733 526 HG22 VAL 69 HG22 VAL 69 0.599 -6.466 1.612 527 HG23 VAL 69 HG23 VAL 69 -0.194 -5.789 0.195 528 H GLY 70 H GLY 70 3.117 -4.500 -2.240 529 HA2 GLY 70 HA2 GLY 70 5.387 -3.052 -1.419 530 HA3 GLY 70 HA3 GLY 70 5.106 -3.649 -3.055 531 H ASP 71 H ASP 71 2.772 -2.243 -3.651 532 HA ASP 71 HA ASP 71 3.786 0.257 -4.514 533 HB2 ASP 71 HB2 ASP 71 0.983 -0.864 -4.393 534 HB3 ASP 71 HB3 ASP 71 1.361 0.711 -5.081 535 H ILE 72 H ILE 72 1.681 -0.736 -1.823 536 HA ILE 72 HA ILE 72 1.000 1.868 -0.896 537 HB ILE 72 HB ILE 72 1.255 -0.775 0.577 538 HG12 ILE 72 HG12 ILE 72 -0.425 -0.770 -1.241 539 HG13 ILE 72 HG13 ILE 72 -1.180 -0.908 0.340 540 HG21 ILE 72 HG21 ILE 72 -0.342 0.334 2.240 541 HG22 ILE 72 HG22 ILE 72 0.105 1.869 1.498 542 HG23 ILE 72 HG23 ILE 72 1.334 0.884 2.289 543 HD11 ILE 72 HD11 ILE 72 -1.693 1.532 0.284 544 HD12 ILE 72 HD12 ILE 72 -2.448 0.664 -1.052 545 HD13 ILE 72 HD13 ILE 72 -0.997 1.622 -1.332 546 H VAL 73 H VAL 73 3.526 -0.399 0.145 547 HA VAL 73 HA VAL 73 4.723 1.242 2.085 548 HB VAL 73 HB VAL 73 5.815 -1.056 0.441 549 HG11 VAL 73 HG11 VAL 73 7.717 0.248 1.286 550 HG12 VAL 73 HG12 VAL 73 7.568 -1.247 2.210 551 HG13 VAL 73 HG13 VAL 73 7.008 0.277 2.900 552 HG21 VAL 73 HG21 VAL 73 4.913 -0.948 3.331 553 HG22 VAL 73 HG22 VAL 73 5.310 -2.386 2.389 554 HG23 VAL 73 HG23 VAL 73 3.869 -1.445 2.000 555 H SER 74 H SER 74 5.706 0.647 -1.304 556 HA SER 74 HA SER 74 7.882 2.430 -1.326 557 HB2 SER 74 HB2 SER 74 7.734 2.281 -3.763 558 HB3 SER 74 HB3 SER 74 7.510 0.692 -3.037 559 HG SER 74 HG SER 74 5.751 0.715 -4.200 560 H TYR 75 H TYR 75 4.453 2.935 -1.884 561 HA TYR 75 HA TYR 75 4.566 5.480 -3.060 562 HB2 TYR 75 HB2 TYR 75 2.533 4.148 -3.108 563 HB3 TYR 75 HB3 TYR 75 2.417 4.200 -1.351 564 HD1 TYR 75 HD1 TYR 75 2.595 6.448 -4.345 565 HD2 TYR 75 HD2 TYR 75 1.162 5.915 -0.332 566 HE1 TYR 75 HE1 TYR 75 1.352 8.583 -4.505 567 HE2 TYR 75 HE2 TYR 75 -0.086 8.051 -0.493 568 HH TYR 75 HH TYR 75 -0.897 9.602 -2.017 569 H ILE 76 H ILE 76 4.175 4.552 0.352 570 HA ILE 76 HA ILE 76 4.036 7.196 1.326 571 HB ILE 76 HB ILE 76 4.890 4.714 2.834 572 HG12 ILE 76 HG12 ILE 76 2.149 5.979 2.515 573 HG13 ILE 76 HG13 ILE 76 2.671 4.578 1.617 574 HG21 ILE 76 HG21 ILE 76 4.024 6.021 4.785 575 HG22 ILE 76 HG22 ILE 76 3.732 7.393 3.719 576 HG23 ILE 76 HG23 ILE 76 5.379 6.842 4.011 577 HD11 ILE 76 HD11 ILE 76 2.747 4.593 4.634 578 HD12 ILE 76 HD12 ILE 76 2.783 3.208 3.544 579 HD13 ILE 76 HD13 ILE 76 1.293 4.131 3.748 580 H GLU 77 H GLU 77 6.756 4.987 0.916 581 HA GLU 77 HA GLU 77 8.713 6.479 2.264 582 HB2 GLU 77 HB2 GLU 77 8.888 4.561 -0.049 583 HB3 GLU 77 HB3 GLU 77 10.313 5.254 0.719 584 HG2 GLU 77 HG2 GLU 77 9.566 4.326 2.892 585 HG3 GLU 77 HG3 GLU 77 8.171 3.606 2.088 586 H LYS 78 H LYS 78 7.620 6.668 -1.130 587 HA LYS 78 HA LYS 78 9.589 8.735 -1.727 588 HB2 LYS 78 HB2 LYS 78 7.431 7.494 -3.449 589 HB3 LYS 78 HB3 LYS 78 8.652 8.631 -4.011 590 HG2 LYS 78 HG2 LYS 78 9.341 5.992 -2.689 591 HG3 LYS 78 HG3 LYS 78 9.182 6.180 -4.433 592 HD2 LYS 78 HD2 LYS 78 10.944 7.935 -4.386 593 HD3 LYS 78 HD3 LYS 78 11.129 7.680 -2.651 594 HE2 LYS 78 HE2 LYS 78 12.842 6.410 -3.836 595 HE3 LYS 78 HE3 LYS 78 11.695 5.294 -3.095 596 HZ1 LYS 78 HZ1 LYS 78 11.264 6.217 -5.855 597 HZ2 LYS 78 HZ2 LYS 78 10.748 4.781 -5.109 598 HZ3 LYS 78 HZ3 LYS 78 12.376 4.972 -5.551 599 H LYS 79 H LYS 79 6.123 8.485 -1.170 600 HA LYS 79 HA LYS 79 5.322 10.986 -2.164 601 HB2 LYS 79 HB2 LYS 79 3.807 9.098 -1.453 602 HB3 LYS 79 HB3 LYS 79 4.119 9.561 0.218 603 HG2 LYS 79 HG2 LYS 79 2.099 10.675 -0.357 604 HG3 LYS 79 HG3 LYS 79 3.344 11.919 -0.481 605 HD2 LYS 79 HD2 LYS 79 3.434 11.703 -2.880 606 HD3 LYS 79 HD3 LYS 79 2.418 10.264 -2.845 607 HE2 LYS 79 HE2 LYS 79 0.592 11.692 -1.836 608 HE3 LYS 79 HE3 LYS 79 1.606 13.098 -2.153 609 HZ1 LYS 79 HZ1 LYS 79 0.427 11.216 -4.117 610 HZ2 LYS 79 HZ2 LYS 79 1.696 12.276 -4.521 611 HZ3 LYS 79 HZ3 LYS 79 0.200 12.895 -4.005 612 H LEU 80 H LEU 80 6.421 10.026 1.091 613 HA LEU 80 HA LEU 80 6.065 12.591 2.266 614 HB2 LEU 80 HB2 LEU 80 7.742 10.204 3.054 615 HB3 LEU 80 HB3 LEU 80 7.626 11.663 4.034 616 HG LEU 80 HG LEU 80 5.188 10.096 3.136 617 HD11 LEU 80 HD11 LEU 80 6.762 8.734 4.565 618 HD12 LEU 80 HD12 LEU 80 5.186 9.023 5.305 619 HD13 LEU 80 HD13 LEU 80 6.588 9.960 5.823 620 HD21 LEU 80 HD21 LEU 80 4.226 11.310 5.162 621 HD22 LEU 80 HD22 LEU 80 4.642 12.348 3.799 622 HD23 LEU 80 HD23 LEU 80 5.711 12.260 5.198 623 H GLY 81 H GLY 81 8.671 11.142 0.416 624 HA2 GLY 81 HA2 GLY 81 10.373 12.307 -0.700 625 HA3 GLY 81 HA3 GLY 81 10.019 13.726 0.280 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 10.918 9.985 11.720 2 H2 MET 1 HT2 MET 1 10.861 11.270 10.611 3 H3 MET 1 HT3 MET 1 11.958 11.311 11.908 4 HA MET 1 HA MET 1 12.941 10.729 9.691 5 HB2 MET 1 HB2 MET 1 13.935 10.190 11.964 6 HB3 MET 1 HB3 MET 1 13.203 8.591 11.820 7 HG2 MET 1 HG2 MET 1 14.451 8.174 9.755 8 HG3 MET 1 HG3 MET 1 15.138 9.796 9.819 9 HE1 MET 1 HE1 MET 1 17.298 8.719 9.433 10 HE2 MET 1 HE2 MET 1 16.958 7.009 9.695 11 HE3 MET 1 HE3 MET 1 18.256 7.790 10.595 12 H ALA 2 H ALA 2 12.044 9.952 7.882 13 HA ALA 2 HA ALA 2 10.100 7.900 7.750 14 HB1 ALA 2 HB1 ALA 2 10.318 9.557 5.977 15 HB2 ALA 2 HB2 ALA 2 10.558 7.942 5.309 16 HB3 ALA 2 HB3 ALA 2 11.947 8.987 5.611 17 H SER 3 H SER 3 10.239 5.742 7.212 18 HA SER 3 HA SER 3 12.702 4.480 6.503 19 HB2 SER 3 HB2 SER 3 12.913 4.781 9.019 20 HB3 SER 3 HB3 SER 3 11.533 3.697 9.181 21 HG SER 3 HG SER 3 14.148 3.177 8.476 22 H ARG 4 H ARG 4 12.253 2.508 5.485 23 HA ARG 4 HA ARG 4 9.639 2.029 4.627 24 HB2 ARG 4 HB2 ARG 4 12.111 0.299 4.639 25 HB3 ARG 4 HB3 ARG 4 10.592 -0.247 3.931 26 HG2 ARG 4 HG2 ARG 4 11.808 2.417 3.164 27 HG3 ARG 4 HG3 ARG 4 12.294 0.924 2.362 28 HD2 ARG 4 HD2 ARG 4 9.401 1.782 2.604 29 HD3 ARG 4 HD3 ARG 4 10.406 2.200 1.228 30 HE ARG 4 HE ARG 4 9.362 -0.439 1.880 31 HH11 ARG 4 HH11 ARG 4 11.584 1.454 -0.079 32 HH12 ARG 4 HH12 ARG 4 11.782 0.199 -1.259 33 HH21 ARG 4 HH21 ARG 4 9.676 -2.044 0.332 34 HH22 ARG 4 HH22 ARG 4 10.711 -1.760 -1.027 35 H GLU 5 H GLU 5 11.436 0.631 7.323 36 HA GLU 5 HA GLU 5 9.670 -1.443 8.000 37 HB2 GLU 5 HB2 GLU 5 10.572 -1.208 10.316 38 HB3 GLU 5 HB3 GLU 5 11.836 -1.280 9.094 39 HG2 GLU 5 HG2 GLU 5 11.876 1.244 9.125 40 HG3 GLU 5 HG3 GLU 5 10.802 1.202 10.508 41 H GLU 6 H GLU 6 9.694 1.970 8.932 42 HA GLU 6 HA GLU 6 7.520 1.850 10.688 43 HB2 GLU 6 HB2 GLU 6 8.791 4.079 9.118 44 HB3 GLU 6 HB3 GLU 6 7.332 4.371 10.062 45 HG2 GLU 6 HG2 GLU 6 9.792 3.073 11.249 46 HG3 GLU 6 HG3 GLU 6 9.550 4.821 11.255 47 H ILE 7 H ILE 7 7.690 2.396 7.202 48 HA ILE 7 HA ILE 7 4.928 3.062 6.893 49 HB ILE 7 HB ILE 7 6.791 1.877 4.817 50 HG12 ILE 7 HG12 ILE 7 7.839 3.900 5.713 51 HG13 ILE 7 HG13 ILE 7 7.197 4.246 4.116 52 HG21 ILE 7 HG21 ILE 7 5.281 3.007 3.226 53 HG22 ILE 7 HG22 ILE 7 4.273 3.546 4.567 54 HG23 ILE 7 HG23 ILE 7 4.416 1.825 4.206 55 HD11 ILE 7 HD11 ILE 7 6.291 5.254 6.786 56 HD12 ILE 7 HD12 ILE 7 5.071 5.034 5.533 57 HD13 ILE 7 HD13 ILE 7 6.439 6.114 5.255 58 H PHE 8 H PHE 8 6.696 0.087 5.970 59 HA PHE 8 HA PHE 8 4.527 -1.490 5.393 60 HB2 PHE 8 HB2 PHE 8 6.869 -2.109 4.941 61 HB3 PHE 8 HB3 PHE 8 7.137 -2.361 6.661 62 HD1 PHE 8 HD1 PHE 8 5.166 -3.549 3.729 63 HD2 PHE 8 HD2 PHE 8 6.514 -4.412 7.716 64 HE1 PHE 8 HE1 PHE 8 4.330 -5.873 3.508 65 HE2 PHE 8 HE2 PHE 8 5.678 -6.736 7.495 66 HZ PHE 8 HZ PHE 8 4.587 -7.467 5.391 67 H SER 9 H SER 9 6.090 -1.113 8.607 68 HA SER 9 HA SER 9 4.507 -2.998 9.967 69 HB2 SER 9 HB2 SER 9 6.554 -2.072 10.922 70 HB3 SER 9 HB3 SER 9 5.811 -0.478 11.018 71 HG SER 9 HG SER 9 5.770 -2.233 12.870 72 H LYS 10 H LYS 10 4.049 0.519 9.607 73 HA LYS 10 HA LYS 10 1.651 0.633 11.140 74 HB2 LYS 10 HB2 LYS 10 2.872 2.525 9.124 75 HB3 LYS 10 HB3 LYS 10 1.430 2.901 10.077 76 HG2 LYS 10 HG2 LYS 10 2.681 2.563 12.156 77 HG3 LYS 10 HG3 LYS 10 4.114 2.098 11.244 78 HD2 LYS 10 HD2 LYS 10 4.187 4.349 10.219 79 HD3 LYS 10 HD3 LYS 10 2.765 4.813 11.160 80 HE2 LYS 10 HE2 LYS 10 3.985 4.391 13.251 81 HE3 LYS 10 HE3 LYS 10 5.400 3.875 12.336 82 HZ1 LYS 10 HZ1 LYS 10 5.995 6.005 12.540 83 HZ2 LYS 10 HZ2 LYS 10 4.414 6.539 12.868 84 HZ3 LYS 10 HZ3 LYS 10 4.911 6.282 11.263 85 H VAL 11 H VAL 11 2.294 0.322 7.692 86 HA VAL 11 HA VAL 11 -0.350 0.605 6.757 87 HB VAL 11 HB VAL 11 2.058 -0.846 5.619 88 HG11 VAL 11 HG11 VAL 11 -0.625 -0.292 4.308 89 HG12 VAL 11 HG12 VAL 11 0.072 -1.878 4.634 90 HG13 VAL 11 HG13 VAL 11 0.820 -0.813 3.443 91 HG21 VAL 11 HG21 VAL 11 1.966 1.726 5.905 92 HG22 VAL 11 HG22 VAL 11 0.751 1.696 4.632 93 HG23 VAL 11 HG23 VAL 11 2.381 1.103 4.311 94 H LYS 12 H LYS 12 1.559 -2.194 7.738 95 HA LYS 12 HA LYS 12 -0.377 -4.188 7.267 96 HB2 LYS 12 HB2 LYS 12 2.021 -4.662 7.681 97 HB3 LYS 12 HB3 LYS 12 1.820 -4.133 9.347 98 HG2 LYS 12 HG2 LYS 12 -0.151 -6.193 8.564 99 HG3 LYS 12 HG3 LYS 12 1.508 -6.748 8.400 100 HD2 LYS 12 HD2 LYS 12 1.988 -6.354 10.694 101 HD3 LYS 12 HD3 LYS 12 0.544 -5.376 10.915 102 HE2 LYS 12 HE2 LYS 12 -0.697 -7.196 11.421 103 HE3 LYS 12 HE3 LYS 12 -0.149 -8.075 9.992 104 HZ1 LYS 12 HZ1 LYS 12 0.462 -8.809 12.463 105 HZ2 LYS 12 HZ2 LYS 12 1.774 -7.760 12.174 106 HZ3 LYS 12 HZ3 LYS 12 1.497 -9.082 11.150 107 H SER 13 H SER 13 0.251 -2.077 10.041 108 HA SER 13 HA SER 13 -1.388 -3.330 11.918 109 HB2 SER 13 HB2 SER 13 0.182 -1.552 12.507 110 HB3 SER 13 HB3 SER 13 -0.778 -0.384 11.605 111 HG SER 13 HG SER 13 -1.281 -0.373 13.837 112 H ILE 14 H ILE 14 -2.270 -0.867 9.456 113 HA ILE 14 HA ILE 14 -4.957 -0.581 10.414 114 HB ILE 14 HB ILE 14 -3.850 0.017 7.655 115 HG12 ILE 14 HG12 ILE 14 -2.547 1.250 9.325 116 HG13 ILE 14 HG13 ILE 14 -3.599 2.365 8.461 117 HG21 ILE 14 HG21 ILE 14 -6.390 -0.077 7.976 118 HG22 ILE 14 HG22 ILE 14 -5.739 1.416 7.308 119 HG23 ILE 14 HG23 ILE 14 -6.207 1.343 9.005 120 HD11 ILE 14 HD11 ILE 14 -3.821 3.006 10.734 121 HD12 ILE 14 HD12 ILE 14 -3.866 1.337 11.297 122 HD13 ILE 14 HD13 ILE 14 -5.250 2.014 10.443 123 H ILE 15 H ILE 15 -3.539 -2.297 7.618 124 HA ILE 15 HA ILE 15 -5.924 -3.420 6.667 125 HB ILE 15 HB ILE 15 -3.048 -4.352 6.392 126 HG12 ILE 15 HG12 ILE 15 -4.796 -2.877 4.402 127 HG13 ILE 15 HG13 ILE 15 -3.760 -2.033 5.551 128 HG21 ILE 15 HG21 ILE 15 -5.552 -5.181 4.875 129 HG22 ILE 15 HG22 ILE 15 -4.512 -6.227 5.840 130 HG23 ILE 15 HG23 ILE 15 -3.911 -5.534 4.335 131 HD11 ILE 15 HD11 ILE 15 -1.780 -2.936 4.595 132 HD12 ILE 15 HD12 ILE 15 -2.777 -2.486 3.211 133 HD13 ILE 15 HD13 ILE 15 -2.676 -4.174 3.713 134 H SER 16 H SER 16 -3.462 -4.815 8.794 135 HA SER 16 HA SER 16 -4.661 -7.350 9.084 136 HB2 SER 16 HB2 SER 16 -2.652 -5.893 10.798 137 HB3 SER 16 HB3 SER 16 -3.085 -7.588 10.992 138 HG SER 16 HG SER 16 -1.942 -8.051 9.289 139 H GLU 17 H GLU 17 -4.958 -4.407 11.045 140 HA GLU 17 HA GLU 17 -6.329 -5.750 13.175 141 HB2 GLU 17 HB2 GLU 17 -6.615 -3.605 14.186 142 HB3 GLU 17 HB3 GLU 17 -5.020 -3.616 13.443 143 HG2 GLU 17 HG2 GLU 17 -6.019 -2.443 11.453 144 HG3 GLU 17 HG3 GLU 17 -7.523 -2.307 12.355 145 H LYS 18 H LYS 18 -7.362 -4.061 10.263 146 HA LYS 18 HA LYS 18 -10.172 -4.217 11.039 147 HB2 LYS 18 HB2 LYS 18 -8.816 -3.152 8.559 148 HB3 LYS 18 HB3 LYS 18 -10.559 -3.131 8.819 149 HG2 LYS 18 HG2 LYS 18 -10.231 -1.801 10.878 150 HG3 LYS 18 HG3 LYS 18 -8.492 -1.804 10.591 151 HD2 LYS 18 HD2 LYS 18 -8.818 -0.636 8.456 152 HD3 LYS 18 HD3 LYS 18 -10.564 -0.657 8.701 153 HE2 LYS 18 HE2 LYS 18 -9.673 1.520 9.369 154 HE3 LYS 18 HE3 LYS 18 -10.258 0.661 10.792 155 HZ1 LYS 18 HZ1 LYS 18 -8.173 0.345 11.582 156 HZ2 LYS 18 HZ2 LYS 18 -7.883 1.775 10.709 157 HZ3 LYS 18 HZ3 LYS 18 -7.463 0.270 10.043 158 H LEU 19 H LEU 19 -7.905 -6.075 9.220 159 HA LEU 19 HA LEU 19 -10.059 -7.572 7.878 160 HB2 LEU 19 HB2 LEU 19 -8.201 -6.651 6.490 161 HB3 LEU 19 HB3 LEU 19 -7.077 -7.675 7.376 162 HG LEU 19 HG LEU 19 -8.381 -9.672 6.638 163 HD11 LEU 19 HD11 LEU 19 -10.561 -8.749 6.192 164 HD12 LEU 19 HD12 LEU 19 -9.920 -9.295 4.643 165 HD13 LEU 19 HD13 LEU 19 -9.897 -7.580 5.051 166 HD21 LEU 19 HD21 LEU 19 -7.457 -9.714 4.416 167 HD22 LEU 19 HD22 LEU 19 -6.372 -8.741 5.410 168 HD23 LEU 19 HD23 LEU 19 -7.501 -7.956 4.306 169 H GLY 20 H GLY 20 -7.665 -7.845 10.382 170 HA2 GLY 20 HA2 GLY 20 -7.327 -9.500 11.962 171 HA3 GLY 20 HA3 GLY 20 -8.691 -10.374 11.269 172 H VAL 21 H VAL 21 -5.696 -9.280 9.713 173 HA VAL 21 HA VAL 21 -4.927 -12.115 9.259 174 HB VAL 21 HB VAL 21 -4.819 -9.914 7.178 175 HG11 VAL 21 HG11 VAL 21 -4.221 -11.829 5.670 176 HG12 VAL 21 HG12 VAL 21 -4.102 -12.859 7.096 177 HG13 VAL 21 HG13 VAL 21 -2.999 -11.498 6.899 178 HG21 VAL 21 HG21 VAL 21 -7.120 -10.883 7.760 179 HG22 VAL 21 HG22 VAL 21 -6.519 -12.430 7.168 180 HG23 VAL 21 HG23 VAL 21 -6.629 -11.050 6.075 181 H ASP 22 H ASP 22 -2.734 -12.570 9.347 182 HA ASP 22 HA ASP 22 -1.069 -10.431 10.429 183 HB2 ASP 22 HB2 ASP 22 -1.039 -13.387 10.567 184 HB3 ASP 22 HB3 ASP 22 0.532 -12.587 10.610 185 H GLU 23 H GLU 23 1.084 -10.192 9.883 186 HA GLU 23 HA GLU 23 1.727 -9.275 7.449 187 HB2 GLU 23 HB2 GLU 23 3.447 -10.549 9.553 188 HB3 GLU 23 HB3 GLU 23 4.178 -10.007 8.041 189 HG2 GLU 23 HG2 GLU 23 3.472 -7.760 8.393 190 HG3 GLU 23 HG3 GLU 23 2.395 -8.232 9.695 191 H SER 24 H SER 24 1.631 -12.721 8.189 192 HA SER 24 HA SER 24 3.295 -13.724 6.203 193 HB2 SER 24 HB2 SER 24 0.677 -14.828 7.244 194 HB3 SER 24 HB3 SER 24 1.804 -15.734 6.241 195 HG SER 24 HG SER 24 1.913 -15.110 8.900 196 H GLN 25 H GLN 25 -0.050 -12.594 5.981 197 HA GLN 25 HA GLN 25 -0.281 -13.262 3.160 198 HB2 GLN 25 HB2 GLN 25 -2.048 -11.732 5.058 199 HB3 GLN 25 HB3 GLN 25 -2.447 -12.029 3.369 200 HG2 GLN 25 HG2 GLN 25 -1.767 -14.254 5.293 201 HG3 GLN 25 HG3 GLN 25 -3.420 -13.704 5.024 202 HE21 GLN 25 HE21 GLN 25 -3.674 -13.347 2.341 203 HE22 GLN 25 HE22 GLN 25 -3.269 -14.764 1.489 204 H VAL 26 H VAL 26 0.895 -10.587 5.009 205 HA VAL 26 HA VAL 26 0.455 -8.632 2.887 206 HB VAL 26 HB VAL 26 1.896 -8.384 5.558 207 HG11 VAL 26 HG11 VAL 26 1.922 -6.018 5.198 208 HG12 VAL 26 HG12 VAL 26 0.905 -6.153 3.766 209 HG13 VAL 26 HG13 VAL 26 2.567 -6.735 3.724 210 HG21 VAL 26 HG21 VAL 26 -0.560 -8.842 5.699 211 HG22 VAL 26 HG22 VAL 26 -0.851 -7.413 4.705 212 HG23 VAL 26 HG23 VAL 26 -0.128 -7.242 6.305 213 H THR 27 H THR 27 1.812 -8.366 1.253 214 HA THR 27 HA THR 27 4.701 -8.725 1.647 215 HB THR 27 HB THR 27 3.401 -10.009 -0.753 216 HG1 THR 27 HG1 THR 27 3.347 -11.893 0.319 217 HG21 THR 27 HG21 THR 27 5.846 -9.465 -0.769 218 HG22 THR 27 HG22 THR 27 5.517 -11.190 -0.900 219 HG23 THR 27 HG23 THR 27 6.044 -10.507 0.637 220 H GLU 28 H GLU 28 5.948 -7.617 0.100 221 HA GLU 28 HA GLU 28 4.834 -5.231 -0.899 222 HB2 GLU 28 HB2 GLU 28 7.404 -6.677 -1.558 223 HB3 GLU 28 HB3 GLU 28 6.988 -5.098 -2.228 224 HG2 GLU 28 HG2 GLU 28 6.865 -4.122 -0.014 225 HG3 GLU 28 HG3 GLU 28 7.061 -5.699 0.741 226 H GLU 29 H GLU 29 5.047 -8.462 -2.202 227 HA GLU 29 HA GLU 29 4.185 -7.520 -4.867 228 HB2 GLU 29 HB2 GLU 29 5.236 -10.219 -3.992 229 HB3 GLU 29 HB3 GLU 29 4.753 -9.803 -5.634 230 HG2 GLU 29 HG2 GLU 29 6.944 -8.414 -4.057 231 HG3 GLU 29 HG3 GLU 29 7.212 -9.620 -5.311 232 H ALA 30 H ALA 30 2.822 -8.686 -2.026 233 HA ALA 30 HA ALA 30 0.816 -10.410 -3.178 234 HB1 ALA 30 HB1 ALA 30 -0.236 -9.988 -0.820 235 HB2 ALA 30 HB2 ALA 30 1.327 -9.255 -0.454 236 HB3 ALA 30 HB3 ALA 30 1.239 -10.945 -0.949 237 H LYS 31 H LYS 31 -1.226 -9.906 -3.784 238 HA LYS 31 HA LYS 31 -1.869 -7.088 -4.154 239 HB2 LYS 31 HB2 LYS 31 -3.429 -9.580 -4.873 240 HB3 LYS 31 HB3 LYS 31 -3.845 -7.940 -5.358 241 HG2 LYS 31 HG2 LYS 31 -1.142 -9.120 -6.011 242 HG3 LYS 31 HG3 LYS 31 -2.534 -9.417 -7.050 243 HD2 LYS 31 HD2 LYS 31 -1.741 -6.617 -6.231 244 HD3 LYS 31 HD3 LYS 31 -1.037 -7.401 -7.643 245 HE2 LYS 31 HE2 LYS 31 -4.009 -6.978 -7.184 246 HE3 LYS 31 HE3 LYS 31 -2.998 -6.015 -8.258 247 HZ1 LYS 31 HZ1 LYS 31 -3.975 -8.746 -8.576 248 HZ2 LYS 31 HZ2 LYS 31 -2.421 -8.409 -9.172 249 HZ3 LYS 31 HZ3 LYS 31 -3.758 -7.529 -9.739 250 H LEU 32 H LEU 32 -3.194 -5.939 -2.877 251 HA LEU 32 HA LEU 32 -3.989 -6.914 -0.362 252 HB2 LEU 32 HB2 LEU 32 -4.772 -4.472 -1.938 253 HB3 LEU 32 HB3 LEU 32 -5.407 -4.788 -0.322 254 HG LEU 32 HG LEU 32 -2.425 -4.835 -0.889 255 HD11 LEU 32 HD11 LEU 32 -2.318 -2.516 -0.157 256 HD12 LEU 32 HD12 LEU 32 -4.060 -2.474 0.107 257 HD13 LEU 32 HD13 LEU 32 -3.419 -2.611 -1.532 258 HD21 LEU 32 HD21 LEU 32 -2.491 -4.189 1.615 259 HD22 LEU 32 HD22 LEU 32 -2.957 -5.838 1.206 260 HD23 LEU 32 HD23 LEU 32 -4.195 -4.637 1.565 261 H ILE 33 H ILE 33 -5.865 -6.649 -3.385 262 HA ILE 33 HA ILE 33 -8.257 -7.521 -1.996 263 HB ILE 33 HB ILE 33 -8.398 -5.805 -3.755 264 HG12 ILE 33 HG12 ILE 33 -9.881 -8.293 -4.637 265 HG13 ILE 33 HG13 ILE 33 -10.289 -7.438 -3.148 266 HG21 ILE 33 HG21 ILE 33 -6.613 -6.881 -5.210 267 HG22 ILE 33 HG22 ILE 33 -8.051 -6.336 -6.073 268 HG23 ILE 33 HG23 ILE 33 -7.836 -8.049 -5.714 269 HD11 ILE 33 HD11 ILE 33 -10.789 -5.411 -4.369 270 HD12 ILE 33 HD12 ILE 33 -11.656 -6.733 -5.151 271 HD13 ILE 33 HD13 ILE 33 -10.173 -6.105 -5.869 272 H ASP 34 H ASP 34 -6.019 -8.960 -4.381 273 HA ASP 34 HA ASP 34 -7.605 -11.397 -4.447 274 HB2 ASP 34 HB2 ASP 34 -4.917 -10.768 -5.672 275 HB3 ASP 34 HB3 ASP 34 -5.876 -12.211 -5.992 276 H ASP 35 H ASP 35 -4.273 -10.596 -3.438 277 HA ASP 35 HA ASP 35 -3.775 -13.155 -2.300 278 HB2 ASP 35 HB2 ASP 35 -2.064 -11.474 -3.140 279 HB3 ASP 35 HB3 ASP 35 -2.295 -10.633 -1.610 280 H LEU 36 H LEU 36 -5.187 -10.207 -0.967 281 HA LEU 36 HA LEU 36 -5.115 -11.473 1.710 282 HB2 LEU 36 HB2 LEU 36 -4.847 -8.670 0.792 283 HB3 LEU 36 HB3 LEU 36 -5.764 -8.907 2.272 284 HG LEU 36 HG LEU 36 -3.053 -10.199 1.889 285 HD11 LEU 36 HD11 LEU 36 -2.176 -8.207 3.221 286 HD12 LEU 36 HD12 LEU 36 -3.682 -7.383 2.814 287 HD13 LEU 36 HD13 LEU 36 -2.572 -7.876 1.535 288 HD21 LEU 36 HD21 LEU 36 -4.701 -9.338 4.288 289 HD22 LEU 36 HD22 LEU 36 -3.082 -10.028 4.388 290 HD23 LEU 36 HD23 LEU 36 -4.415 -10.994 3.754 291 H GLY 37 H GLY 37 -7.241 -10.345 -0.830 292 HA2 GLY 37 HA2 GLY 37 -9.527 -10.876 -0.990 293 HA3 GLY 37 HA3 GLY 37 -9.511 -11.350 0.699 294 H ALA 38 H ALA 38 -8.149 -8.261 -0.160 295 HA ALA 38 HA ALA 38 -10.250 -6.917 1.365 296 HB1 ALA 38 HB1 ALA 38 -7.653 -6.509 1.486 297 HB2 ALA 38 HB2 ALA 38 -8.768 -5.149 1.616 298 HB3 ALA 38 HB3 ALA 38 -7.954 -5.480 0.086 299 H ASP 39 H ASP 39 -12.015 -6.563 0.232 300 HA ASP 39 HA ASP 39 -12.220 -6.231 -2.539 301 HB2 ASP 39 HB2 ASP 39 -14.110 -6.826 -1.000 302 HB3 ASP 39 HB3 ASP 39 -14.146 -5.145 -0.470 303 H SER 40 H SER 40 -12.806 -4.335 -3.768 304 HA SER 40 HA SER 40 -11.027 -2.255 -3.614 305 HB2 SER 40 HB2 SER 40 -12.514 -1.024 -5.135 306 HB3 SER 40 HB3 SER 40 -12.370 -2.717 -5.603 307 HG SER 40 HG SER 40 -14.353 -3.098 -4.562 308 H LEU 41 H LEU 41 -14.276 -2.364 -2.142 309 HA LEU 41 HA LEU 41 -14.344 0.336 -1.280 310 HB2 LEU 41 HB2 LEU 41 -16.339 -1.135 -1.264 311 HB3 LEU 41 HB3 LEU 41 -15.606 -2.118 -0.003 312 HG LEU 41 HG LEU 41 -15.557 -0.088 1.477 313 HD11 LEU 41 HD11 LEU 41 -17.086 1.809 0.780 314 HD12 LEU 41 HD12 LEU 41 -17.090 1.120 -0.845 315 HD13 LEU 41 HD13 LEU 41 -15.583 1.705 -0.138 316 HD21 LEU 41 HD21 LEU 41 -18.012 -0.073 1.898 317 HD22 LEU 41 HD22 LEU 41 -17.381 -1.704 1.668 318 HD23 LEU 41 HD23 LEU 41 -18.256 -0.905 0.362 319 H ASP 42 H ASP 42 -13.300 -2.641 0.306 320 HA ASP 42 HA ASP 42 -12.416 -1.541 2.737 321 HB2 ASP 42 HB2 ASP 42 -11.535 -4.004 1.226 322 HB3 ASP 42 HB3 ASP 42 -10.953 -3.605 2.841 323 H LEU 43 H LEU 43 -10.772 -2.006 -0.351 324 HA LEU 43 HA LEU 43 -8.166 -1.308 0.414 325 HB2 LEU 43 HB2 LEU 43 -8.752 -2.404 -1.726 326 HB3 LEU 43 HB3 LEU 43 -9.548 -0.930 -2.258 327 HG LEU 43 HG LEU 43 -7.358 0.278 -2.035 328 HD11 LEU 43 HD11 LEU 43 -6.312 -2.526 -1.534 329 HD12 LEU 43 HD12 LEU 43 -6.234 -1.161 -0.418 330 HD13 LEU 43 HD13 LEU 43 -5.294 -1.136 -1.912 331 HD21 LEU 43 HD21 LEU 43 -7.391 -2.155 -3.846 332 HD22 LEU 43 HD22 LEU 43 -6.340 -0.754 -4.055 333 HD23 LEU 43 HD23 LEU 43 -8.088 -0.576 -4.211 334 H VAL 44 H VAL 44 -10.884 0.661 -0.774 335 HA VAL 44 HA VAL 44 -9.502 3.104 -0.967 336 HB VAL 44 HB VAL 44 -12.429 2.492 -0.470 337 HG11 VAL 44 HG11 VAL 44 -11.087 5.140 -1.096 338 HG12 VAL 44 HG12 VAL 44 -12.075 4.759 0.312 339 HG13 VAL 44 HG13 VAL 44 -12.816 4.850 -1.284 340 HG21 VAL 44 HG21 VAL 44 -11.258 1.788 -2.637 341 HG22 VAL 44 HG22 VAL 44 -11.081 3.509 -2.977 342 HG23 VAL 44 HG23 VAL 44 -12.689 2.802 -2.819 343 H ASP 45 H ASP 45 -11.358 1.692 1.733 344 HA ASP 45 HA ASP 45 -11.043 3.842 3.530 345 HB2 ASP 45 HB2 ASP 45 -11.494 0.889 3.976 346 HB3 ASP 45 HB3 ASP 45 -11.466 2.059 5.289 347 H LEU 46 H LEU 46 -9.063 0.979 2.928 348 HA LEU 46 HA LEU 46 -7.237 1.288 5.069 349 HB2 LEU 46 HB2 LEU 46 -6.971 -0.019 2.357 350 HB3 LEU 46 HB3 LEU 46 -5.727 -0.116 3.604 351 HG LEU 46 HG LEU 46 -8.602 -0.903 4.129 352 HD11 LEU 46 HD11 LEU 46 -6.307 -2.533 3.026 353 HD12 LEU 46 HD12 LEU 46 -7.953 -2.411 2.414 354 HD13 LEU 46 HD13 LEU 46 -7.636 -3.286 3.909 355 HD21 LEU 46 HD21 LEU 46 -5.961 -1.431 5.521 356 HD22 LEU 46 HD22 LEU 46 -7.469 -2.239 5.946 357 HD23 LEU 46 HD23 LEU 46 -7.321 -0.495 6.139 358 H VAL 47 H VAL 47 -6.949 2.318 1.640 359 HA VAL 47 HA VAL 47 -4.458 3.548 1.942 360 HB VAL 47 HB VAL 47 -5.337 3.026 -0.266 361 HG11 VAL 47 HG11 VAL 47 -7.082 4.576 -1.244 362 HG12 VAL 47 HG12 VAL 47 -7.382 5.166 0.388 363 HG13 VAL 47 HG13 VAL 47 -7.681 3.473 -0.007 364 HG21 VAL 47 HG21 VAL 47 -4.944 6.016 0.088 365 HG22 VAL 47 HG22 VAL 47 -4.732 5.112 -1.410 366 HG23 VAL 47 HG23 VAL 47 -3.648 4.827 -0.047 367 H MET 48 H MET 48 -7.735 4.838 2.500 368 HA MET 48 HA MET 48 -7.003 7.527 2.895 369 HB2 MET 48 HB2 MET 48 -9.262 5.877 4.042 370 HB3 MET 48 HB3 MET 48 -9.098 7.610 4.316 371 HG2 MET 48 HG2 MET 48 -9.195 6.346 1.566 372 HG3 MET 48 HG3 MET 48 -10.603 7.024 2.381 373 HE1 MET 48 HE1 MET 48 -10.163 10.694 2.521 374 HE2 MET 48 HE2 MET 48 -9.615 9.666 3.841 375 HE3 MET 48 HE3 MET 48 -11.059 9.225 2.933 376 H ASP 49 H ASP 49 -7.142 4.771 5.131 377 HA ASP 49 HA ASP 49 -6.628 6.078 7.532 378 HB2 ASP 49 HB2 ASP 49 -7.061 3.567 7.129 379 HB3 ASP 49 HB3 ASP 49 -5.318 3.437 6.876 380 H PHE 50 H PHE 50 -4.371 5.033 5.019 381 HA PHE 50 HA PHE 50 -2.028 6.020 6.450 382 HB2 PHE 50 HB2 PHE 50 -1.995 5.505 3.487 383 HB3 PHE 50 HB3 PHE 50 -0.714 5.271 4.664 384 HD1 PHE 50 HD1 PHE 50 -2.437 3.456 2.480 385 HD2 PHE 50 HD2 PHE 50 -1.939 3.581 6.745 386 HE1 PHE 50 HE1 PHE 50 -3.073 1.069 2.623 387 HE2 PHE 50 HE2 PHE 50 -2.574 1.193 6.882 388 HZ PHE 50 HZ PHE 50 -3.149 -0.059 4.820 389 H GLU 51 H GLU 51 -4.310 7.218 4.105 390 HA GLU 51 HA GLU 51 -2.919 9.390 2.988 391 HB2 GLU 51 HB2 GLU 51 -5.122 8.470 2.207 392 HB3 GLU 51 HB3 GLU 51 -5.884 9.220 3.603 393 HG2 GLU 51 HG2 GLU 51 -4.954 11.435 2.808 394 HG3 GLU 51 HG3 GLU 51 -4.470 10.612 1.325 395 H SER 52 H SER 52 -4.975 9.171 5.885 396 HA SER 52 HA SER 52 -4.579 11.948 6.595 397 HB2 SER 52 HB2 SER 52 -6.698 10.851 7.109 398 HB3 SER 52 HB3 SER 52 -5.863 9.666 8.111 399 HG SER 52 HG SER 52 -6.048 11.069 9.653 400 H GLU 53 H GLU 53 -3.590 8.816 7.934 401 HA GLU 53 HA GLU 53 -2.190 9.761 10.163 402 HB2 GLU 53 HB2 GLU 53 -1.822 7.261 8.513 403 HB3 GLU 53 HB3 GLU 53 -0.915 7.565 9.994 404 HG2 GLU 53 HG2 GLU 53 -3.944 7.517 9.789 405 HG3 GLU 53 HG3 GLU 53 -2.955 6.198 10.407 406 H PHE 54 H PHE 54 -0.916 9.079 6.878 407 HA PHE 54 HA PHE 54 1.710 10.048 7.662 408 HB2 PHE 54 HB2 PHE 54 0.600 8.997 5.059 409 HB3 PHE 54 HB3 PHE 54 2.258 9.567 5.242 410 HD1 PHE 54 HD1 PHE 54 -0.099 6.878 5.956 411 HD2 PHE 54 HD2 PHE 54 3.796 8.442 6.869 412 HE1 PHE 54 HE1 PHE 54 0.547 4.694 6.940 413 HE2 PHE 54 HE2 PHE 54 4.444 6.257 7.848 414 HZ PHE 54 HZ PHE 54 2.819 4.385 7.885 415 H GLY 55 H GLY 55 -1.072 11.662 6.809 416 HA2 GLY 55 HA2 GLY 55 -1.484 13.823 6.111 417 HA3 GLY 55 HA3 GLY 55 0.208 14.150 6.477 418 H VAL 56 H VAL 56 -1.055 11.827 4.150 419 HA VAL 56 HA VAL 56 0.056 13.455 1.937 420 HB VAL 56 HB VAL 56 0.812 11.352 0.855 421 HG11 VAL 56 HG11 VAL 56 1.970 11.555 3.637 422 HG12 VAL 56 HG12 VAL 56 2.265 12.775 2.398 423 HG13 VAL 56 HG13 VAL 56 2.800 11.114 2.144 424 HG21 VAL 56 HG21 VAL 56 1.010 9.327 2.400 425 HG22 VAL 56 HG22 VAL 56 -0.618 9.689 1.826 426 HG23 VAL 56 HG23 VAL 56 -0.141 10.139 3.462 427 H LYS 57 H LYS 57 -0.978 13.308 -0.034 428 HA LYS 57 HA LYS 57 -3.702 12.142 0.046 429 HB2 LYS 57 HB2 LYS 57 -3.640 14.615 -0.095 430 HB3 LYS 57 HB3 LYS 57 -2.680 14.502 -1.566 431 HG2 LYS 57 HG2 LYS 57 -4.978 14.866 -2.223 432 HG3 LYS 57 HG3 LYS 57 -4.576 13.194 -2.609 433 HD2 LYS 57 HD2 LYS 57 -5.677 12.427 -0.556 434 HD3 LYS 57 HD3 LYS 57 -6.025 14.094 -0.098 435 HE2 LYS 57 HE2 LYS 57 -7.408 14.368 -2.117 436 HE3 LYS 57 HE3 LYS 57 -7.050 12.708 -2.593 437 HZ1 LYS 57 HZ1 LYS 57 -7.982 12.075 -0.340 438 HZ2 LYS 57 HZ2 LYS 57 -9.099 12.604 -1.508 439 HZ3 LYS 57 HZ3 LYS 57 -8.608 13.650 -0.262 440 H VAL 58 H VAL 58 -4.339 10.743 -1.548 441 HA VAL 58 HA VAL 58 -2.279 9.946 -3.489 442 HB VAL 58 HB VAL 58 -3.662 7.903 -3.790 443 HG11 VAL 58 HG11 VAL 58 -3.326 7.083 -1.349 444 HG12 VAL 58 HG12 VAL 58 -2.670 8.693 -1.053 445 HG13 VAL 58 HG13 VAL 58 -1.918 7.636 -2.246 446 HG21 VAL 58 HG21 VAL 58 -5.867 8.856 -3.203 447 HG22 VAL 58 HG22 VAL 58 -5.329 9.091 -1.540 448 HG23 VAL 58 HG23 VAL 58 -5.501 7.461 -2.188 449 H ASP 59 H ASP 59 -2.492 10.214 -5.581 450 HA ASP 59 HA ASP 59 -4.862 11.587 -6.616 451 HB2 ASP 59 HB2 ASP 59 -3.336 11.467 -8.819 452 HB3 ASP 59 HB3 ASP 59 -3.133 12.709 -7.613 453 H ASP 60 H ASP 60 -5.615 11.034 -8.771 454 HA ASP 60 HA ASP 60 -6.613 8.384 -8.919 455 HB2 ASP 60 HB2 ASP 60 -6.347 10.546 -11.026 456 HB3 ASP 60 HB3 ASP 60 -7.143 9.008 -11.326 457 H ALA 61 H ALA 61 -3.781 10.022 -10.157 458 HA ALA 61 HA ALA 61 -2.837 7.942 -11.892 459 HB1 ALA 61 HB1 ALA 61 -1.807 9.993 -12.304 460 HB2 ALA 61 HB2 ALA 61 -0.569 9.140 -11.389 461 HB3 ALA 61 HB3 ALA 61 -1.583 10.342 -10.593 462 H ASP 62 H ASP 62 -2.361 8.736 -8.450 463 HA ASP 62 HA ASP 62 -0.413 6.781 -7.869 464 HB2 ASP 62 HB2 ASP 62 -2.494 8.103 -6.117 465 HB3 ASP 62 HB3 ASP 62 -1.292 6.985 -5.500 466 H LEU 63 H LEU 63 -3.964 6.701 -7.814 467 HA LEU 63 HA LEU 63 -4.307 4.173 -6.659 468 HB2 LEU 63 HB2 LEU 63 -5.967 5.618 -8.736 469 HB3 LEU 63 HB3 LEU 63 -6.472 4.110 -7.977 470 HG LEU 63 HG LEU 63 -5.721 6.581 -6.389 471 HD11 LEU 63 HD11 LEU 63 -8.520 5.617 -7.027 472 HD12 LEU 63 HD12 LEU 63 -7.716 6.887 -7.949 473 HD13 LEU 63 HD13 LEU 63 -8.050 7.122 -6.233 474 HD21 LEU 63 HD21 LEU 63 -5.612 4.574 -5.056 475 HD22 LEU 63 HD22 LEU 63 -7.119 3.966 -5.743 476 HD23 LEU 63 HD23 LEU 63 -7.141 5.359 -4.660 477 H GLU 64 H GLU 64 -3.826 5.076 -10.081 478 HA GLU 64 HA GLU 64 -4.016 2.501 -11.170 479 HB2 GLU 64 HB2 GLU 64 -3.979 4.670 -12.447 480 HB3 GLU 64 HB3 GLU 64 -2.243 4.748 -12.149 481 HG2 GLU 64 HG2 GLU 64 -1.949 2.571 -13.280 482 HG3 GLU 64 HG3 GLU 64 -3.682 2.495 -13.582 483 H LYS 65 H LYS 65 -1.369 4.180 -9.555 484 HA LYS 65 HA LYS 65 0.677 2.261 -10.261 485 HB2 LYS 65 HB2 LYS 65 0.614 4.387 -8.102 486 HB3 LYS 65 HB3 LYS 65 2.044 3.499 -8.622 487 HG2 LYS 65 HG2 LYS 65 2.008 4.504 -10.788 488 HG3 LYS 65 HG3 LYS 65 0.374 5.122 -10.553 489 HD2 LYS 65 HD2 LYS 65 1.532 6.374 -8.480 490 HD3 LYS 65 HD3 LYS 65 2.975 6.149 -9.462 491 HE2 LYS 65 HE2 LYS 65 2.324 7.714 -10.989 492 HE3 LYS 65 HE3 LYS 65 0.634 7.205 -10.956 493 HZ1 LYS 65 HZ1 LYS 65 0.736 9.357 -9.993 494 HZ2 LYS 65 HZ2 LYS 65 2.038 8.929 -8.989 495 HZ3 LYS 65 HZ3 LYS 65 0.501 8.266 -8.719 496 H ILE 66 H ILE 66 -1.779 2.453 -7.846 497 HA ILE 66 HA ILE 66 -0.477 0.745 -5.907 498 HB ILE 66 HB ILE 66 -3.253 1.952 -6.079 499 HG12 ILE 66 HG12 ILE 66 -0.994 2.439 -4.119 500 HG13 ILE 66 HG13 ILE 66 -1.153 3.351 -5.610 501 HG21 ILE 66 HG21 ILE 66 -3.444 -0.169 -4.840 502 HG22 ILE 66 HG22 ILE 66 -3.534 1.187 -3.716 503 HG23 ILE 66 HG23 ILE 66 -2.042 0.258 -3.858 504 HD11 ILE 66 HD11 ILE 66 -2.185 4.352 -3.453 505 HD12 ILE 66 HD12 ILE 66 -3.457 3.151 -3.675 506 HD13 ILE 66 HD13 ILE 66 -3.165 4.366 -4.918 507 H SER 67 H SER 67 -1.385 -1.244 -5.160 508 HA SER 67 HA SER 67 -3.231 -2.878 -6.406 509 HB2 SER 67 HB2 SER 67 -1.730 -4.441 -7.700 510 HB3 SER 67 HB3 SER 67 -1.939 -2.862 -8.450 511 HG SER 67 HG SER 67 0.111 -2.500 -8.175 512 H THR 68 H THR 68 0.181 -3.533 -5.598 513 HA THR 68 HA THR 68 -0.675 -5.411 -3.521 514 HB THR 68 HB THR 68 1.702 -6.139 -3.535 515 HG1 THR 68 HG1 THR 68 2.477 -4.034 -4.185 516 HG21 THR 68 HG21 THR 68 0.510 -5.963 -6.320 517 HG22 THR 68 HG22 THR 68 0.043 -7.150 -5.099 518 HG23 THR 68 HG23 THR 68 1.681 -7.155 -5.755 519 H VAL 69 H VAL 69 0.716 -5.443 -1.518 520 HA VAL 69 HA VAL 69 0.497 -2.992 -0.130 521 HB VAL 69 HB VAL 69 2.247 -5.367 0.569 522 HG11 VAL 69 HG11 VAL 69 2.736 -3.220 1.794 523 HG12 VAL 69 HG12 VAL 69 2.210 -4.544 2.833 524 HG13 VAL 69 HG13 VAL 69 1.081 -3.259 2.399 525 HG21 VAL 69 HG21 VAL 69 0.403 -6.285 1.735 526 HG22 VAL 69 HG22 VAL 69 -0.292 -5.739 0.209 527 HG23 VAL 69 HG23 VAL 69 -0.500 -4.774 1.668 528 H GLY 70 H GLY 70 3.035 -4.348 -2.103 529 HA2 GLY 70 HA2 GLY 70 5.250 -2.848 -1.211 530 HA3 GLY 70 HA3 GLY 70 5.060 -3.510 -2.831 531 H ASP 71 H ASP 71 2.772 -2.143 -3.662 532 HA ASP 71 HA ASP 71 3.863 0.330 -4.515 533 HB2 ASP 71 HB2 ASP 71 1.060 -0.790 -4.638 534 HB3 ASP 71 HB3 ASP 71 1.508 0.763 -5.331 535 H ILE 72 H ILE 72 1.511 -0.547 -2.002 536 HA ILE 72 HA ILE 72 0.775 2.109 -1.271 537 HB ILE 72 HB ILE 72 0.805 -0.447 0.369 538 HG12 ILE 72 HG12 ILE 72 -0.612 -0.621 -1.639 539 HG13 ILE 72 HG13 ILE 72 -1.600 -0.566 -0.188 540 HG21 ILE 72 HG21 ILE 72 -0.608 2.187 0.894 541 HG22 ILE 72 HG22 ILE 72 0.698 1.493 1.852 542 HG23 ILE 72 HG23 ILE 72 -0.877 0.700 1.802 543 HD11 ILE 72 HD11 ILE 72 -1.137 1.670 -2.183 544 HD12 ILE 72 HD12 ILE 72 -1.896 1.931 -0.614 545 HD13 ILE 72 HD13 ILE 72 -2.662 0.872 -1.797 546 H VAL 73 H VAL 73 3.134 -0.172 0.106 547 HA VAL 73 HA VAL 73 4.171 1.501 2.098 548 HB VAL 73 HB VAL 73 5.395 -0.832 0.607 549 HG11 VAL 73 HG11 VAL 73 6.378 0.590 3.104 550 HG12 VAL 73 HG12 VAL 73 7.240 0.429 1.574 551 HG13 VAL 73 HG13 VAL 73 6.953 -0.993 2.576 552 HG21 VAL 73 HG21 VAL 73 4.273 -0.692 3.413 553 HG22 VAL 73 HG22 VAL 73 4.682 -2.135 2.485 554 HG23 VAL 73 HG23 VAL 73 3.302 -1.145 2.011 555 H SER 74 H SER 74 5.410 0.855 -1.182 556 HA SER 74 HA SER 74 7.611 2.605 -1.081 557 HB2 SER 74 HB2 SER 74 7.365 0.902 -2.827 558 HB3 SER 74 HB3 SER 74 5.958 1.741 -3.473 559 HG SER 74 HG SER 74 7.845 2.311 -4.603 560 H TYR 75 H TYR 75 4.231 3.130 -1.959 561 HA TYR 75 HA TYR 75 4.446 5.680 -3.078 562 HB2 TYR 75 HB2 TYR 75 2.380 4.402 -3.244 563 HB3 TYR 75 HB3 TYR 75 2.165 4.470 -1.495 564 HD1 TYR 75 HD1 TYR 75 2.488 6.631 -4.531 565 HD2 TYR 75 HD2 TYR 75 1.071 6.316 -0.489 566 HE1 TYR 75 HE1 TYR 75 1.404 8.847 -4.736 567 HE2 TYR 75 HE2 TYR 75 -0.024 8.529 -0.699 568 HH TYR 75 HH TYR 75 0.002 10.477 -1.983 569 H ILE 76 H ILE 76 3.844 4.750 0.306 570 HA ILE 76 HA ILE 76 3.722 7.407 1.283 571 HB ILE 76 HB ILE 76 4.488 4.903 2.808 572 HG12 ILE 76 HG12 ILE 76 1.766 6.177 2.372 573 HG13 ILE 76 HG13 ILE 76 2.325 4.747 1.548 574 HG21 ILE 76 HG21 ILE 76 3.377 7.604 3.662 575 HG22 ILE 76 HG22 ILE 76 4.978 6.973 4.036 576 HG23 ILE 76 HG23 ILE 76 3.547 6.216 4.734 577 HD11 ILE 76 HD11 ILE 76 2.381 3.452 3.544 578 HD12 ILE 76 HD12 ILE 76 0.849 4.323 3.590 579 HD13 ILE 76 HD13 ILE 76 2.210 4.880 4.562 580 H GLU 77 H GLU 77 6.344 5.079 0.972 581 HA GLU 77 HA GLU 77 8.359 6.448 2.355 582 HB2 GLU 77 HB2 GLU 77 8.350 4.053 1.561 583 HB3 GLU 77 HB3 GLU 77 8.708 4.656 -0.052 584 HG2 GLU 77 HG2 GLU 77 10.561 5.847 1.841 585 HG3 GLU 77 HG3 GLU 77 10.531 4.101 2.051 586 H LYS 78 H LYS 78 7.404 6.605 -1.077 587 HA LYS 78 HA LYS 78 9.534 8.486 -1.702 588 HB2 LYS 78 HB2 LYS 78 8.864 6.692 -3.282 589 HB3 LYS 78 HB3 LYS 78 7.280 7.450 -3.435 590 HG2 LYS 78 HG2 LYS 78 8.322 9.498 -4.316 591 HG3 LYS 78 HG3 LYS 78 9.921 8.780 -4.122 592 HD2 LYS 78 HD2 LYS 78 9.284 6.971 -5.695 593 HD3 LYS 78 HD3 LYS 78 7.710 7.735 -5.916 594 HE2 LYS 78 HE2 LYS 78 10.370 9.064 -6.517 595 HE3 LYS 78 HE3 LYS 78 9.317 8.332 -7.727 596 HZ1 LYS 78 HZ1 LYS 78 7.540 9.863 -6.885 597 HZ2 LYS 78 HZ2 LYS 78 8.827 10.623 -7.694 598 HZ3 LYS 78 HZ3 LYS 78 8.741 10.667 -5.997 599 H LYS 79 H LYS 79 6.009 8.532 -1.405 600 HA LYS 79 HA LYS 79 5.492 11.098 -2.388 601 HB2 LYS 79 HB2 LYS 79 3.797 9.311 -1.848 602 HB3 LYS 79 HB3 LYS 79 3.997 9.721 -0.147 603 HG2 LYS 79 HG2 LYS 79 2.116 10.986 -0.846 604 HG3 LYS 79 HG3 LYS 79 3.448 12.143 -0.857 605 HD2 LYS 79 HD2 LYS 79 3.712 11.914 -3.255 606 HD3 LYS 79 HD3 LYS 79 2.546 10.592 -3.302 607 HE2 LYS 79 HE2 LYS 79 0.809 12.192 -2.425 608 HE3 LYS 79 HE3 LYS 79 1.987 13.489 -2.611 609 HZ1 LYS 79 HZ1 LYS 79 0.755 11.809 -4.712 610 HZ2 LYS 79 HZ2 LYS 79 2.195 12.673 -4.991 611 HZ3 LYS 79 HZ3 LYS 79 0.770 13.503 -4.583 612 H LEU 80 H LEU 80 6.247 10.024 0.929 613 HA LEU 80 HA LEU 80 5.951 12.581 2.133 614 HB2 LEU 80 HB2 LEU 80 7.427 10.089 2.993 615 HB3 LEU 80 HB3 LEU 80 7.299 11.529 3.998 616 HG LEU 80 HG LEU 80 4.876 10.106 2.857 617 HD11 LEU 80 HD11 LEU 80 4.632 8.998 4.995 618 HD12 LEU 80 HD12 LEU 80 6.030 9.851 5.650 619 HD13 LEU 80 HD13 LEU 80 6.247 8.641 4.386 620 HD21 LEU 80 HD21 LEU 80 5.319 12.198 5.011 621 HD22 LEU 80 HD22 LEU 80 3.797 11.329 4.812 622 HD23 LEU 80 HD23 LEU 80 4.389 12.374 3.523 623 H GLY 81 H GLY 81 8.609 11.017 0.459 624 HA2 GLY 81 HA2 GLY 81 10.154 13.510 0.646 625 HA3 GLY 81 HA3 GLY 81 10.929 12.011 1.151 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 9.831 9.746 12.847 2 H2 MET 1 HT2 MET 1 10.763 11.026 13.464 3 H3 MET 1 HT3 MET 1 11.354 9.433 13.524 4 HA MET 1 HA MET 1 11.181 11.279 11.251 5 HB2 MET 1 HB2 MET 1 13.186 9.284 12.331 6 HB3 MET 1 HB3 MET 1 13.391 10.104 10.783 7 HG2 MET 1 HG2 MET 1 13.286 12.287 11.906 8 HG3 MET 1 HG3 MET 1 13.038 11.488 13.459 9 HE1 MET 1 HE1 MET 1 16.551 12.859 13.913 10 HE2 MET 1 HE2 MET 1 14.816 13.112 14.092 11 HE3 MET 1 HE3 MET 1 15.621 13.603 12.604 12 H ALA 2 H ALA 2 10.986 10.538 9.148 13 HA ALA 2 HA ALA 2 9.308 8.308 8.686 14 HB1 ALA 2 HB1 ALA 2 10.921 10.107 6.891 15 HB2 ALA 2 HB2 ALA 2 9.170 10.025 7.085 16 HB3 ALA 2 HB3 ALA 2 10.024 8.735 6.241 17 H SER 3 H SER 3 9.720 6.280 7.834 18 HA SER 3 HA SER 3 12.340 5.454 7.036 19 HB2 SER 3 HB2 SER 3 12.493 5.396 9.561 20 HB3 SER 3 HB3 SER 3 11.234 4.165 9.541 21 HG SER 3 HG SER 3 12.679 3.036 8.018 22 H ARG 4 H ARG 4 12.206 3.552 5.786 23 HA ARG 4 HA ARG 4 9.757 2.884 4.661 24 HB2 ARG 4 HB2 ARG 4 12.016 2.408 3.692 25 HB3 ARG 4 HB3 ARG 4 12.196 1.098 4.855 26 HG2 ARG 4 HG2 ARG 4 10.216 -0.023 3.937 27 HG3 ARG 4 HG3 ARG 4 9.970 1.308 2.805 28 HD2 ARG 4 HD2 ARG 4 12.161 0.850 1.779 29 HD3 ARG 4 HD3 ARG 4 12.422 -0.472 2.914 30 HE ARG 4 HE ARG 4 10.930 -1.779 1.686 31 HH11 ARG 4 HH11 ARG 4 10.795 1.546 0.561 32 HH12 ARG 4 HH12 ARG 4 9.825 1.155 -0.820 33 HH21 ARG 4 HH21 ARG 4 9.662 -2.235 -0.112 34 HH22 ARG 4 HH22 ARG 4 9.191 -0.967 -1.198 35 H GLU 5 H GLU 5 11.485 1.384 7.362 36 HA GLU 5 HA GLU 5 9.853 -0.879 7.728 37 HB2 GLU 5 HB2 GLU 5 10.644 -0.844 10.086 38 HB3 GLU 5 HB3 GLU 5 11.961 -0.668 8.931 39 HG2 GLU 5 HG2 GLU 5 11.786 1.831 9.256 40 HG3 GLU 5 HG3 GLU 5 10.654 1.532 10.564 41 H GLU 6 H GLU 6 9.559 2.425 8.945 42 HA GLU 6 HA GLU 6 7.383 1.999 10.648 43 HB2 GLU 6 HB2 GLU 6 8.368 4.455 9.198 44 HB3 GLU 6 HB3 GLU 6 6.977 4.500 10.279 45 HG2 GLU 6 HG2 GLU 6 9.692 3.433 11.098 46 HG3 GLU 6 HG3 GLU 6 9.176 5.096 11.377 47 H ILE 7 H ILE 7 7.539 2.748 7.200 48 HA ILE 7 HA ILE 7 4.787 3.273 6.770 49 HB ILE 7 HB ILE 7 6.752 2.013 4.835 50 HG12 ILE 7 HG12 ILE 7 7.726 4.092 5.706 51 HG13 ILE 7 HG13 ILE 7 7.197 4.337 4.049 52 HG21 ILE 7 HG21 ILE 7 5.307 3.058 3.120 53 HG22 ILE 7 HG22 ILE 7 4.222 3.620 4.392 54 HG23 ILE 7 HG23 ILE 7 4.421 1.892 4.103 55 HD11 ILE 7 HD11 ILE 7 6.339 6.259 5.013 56 HD12 ILE 7 HD12 ILE 7 6.105 5.497 6.584 57 HD13 ILE 7 HD13 ILE 7 4.967 5.182 5.277 58 H PHE 8 H PHE 8 6.625 0.293 6.038 59 HA PHE 8 HA PHE 8 4.506 -1.341 5.443 60 HB2 PHE 8 HB2 PHE 8 6.872 -1.938 5.098 61 HB3 PHE 8 HB3 PHE 8 7.082 -2.119 6.837 62 HD1 PHE 8 HD1 PHE 8 5.234 -3.454 3.886 63 HD2 PHE 8 HD2 PHE 8 6.458 -4.140 7.946 64 HE1 PHE 8 HE1 PHE 8 4.444 -5.800 3.729 65 HE2 PHE 8 HE2 PHE 8 5.669 -6.485 7.789 66 HZ PHE 8 HZ PHE 8 4.662 -7.316 5.680 67 H SER 9 H SER 9 5.948 -0.837 8.693 68 HA SER 9 HA SER 9 4.350 -2.683 10.071 69 HB2 SER 9 HB2 SER 9 6.336 -1.666 11.063 70 HB3 SER 9 HB3 SER 9 5.553 -0.088 11.059 71 HG SER 9 HG SER 9 5.003 -0.762 13.003 72 H LYS 10 H LYS 10 3.824 0.822 9.564 73 HA LYS 10 HA LYS 10 1.367 0.945 10.982 74 HB2 LYS 10 HB2 LYS 10 2.536 2.718 8.835 75 HB3 LYS 10 HB3 LYS 10 1.037 3.078 9.690 76 HG2 LYS 10 HG2 LYS 10 2.253 2.996 11.846 77 HG3 LYS 10 HG3 LYS 10 3.752 2.671 10.976 78 HD2 LYS 10 HD2 LYS 10 3.554 4.819 9.796 79 HD3 LYS 10 HD3 LYS 10 2.031 5.143 10.623 80 HE2 LYS 10 HE2 LYS 10 3.783 6.334 11.796 81 HE3 LYS 10 HE3 LYS 10 3.266 4.989 12.811 82 HZ1 LYS 10 HZ1 LYS 10 5.446 4.542 12.890 83 HZ2 LYS 10 HZ2 LYS 10 5.799 5.447 11.497 84 HZ3 LYS 10 HZ3 LYS 10 5.216 3.859 11.355 85 H VAL 11 H VAL 11 2.155 0.393 7.604 86 HA VAL 11 HA VAL 11 -0.445 0.475 6.523 87 HB VAL 11 HB VAL 11 2.102 -0.930 5.665 88 HG11 VAL 11 HG11 VAL 11 0.971 -1.151 3.414 89 HG12 VAL 11 HG12 VAL 11 -0.552 -0.742 4.200 90 HG13 VAL 11 HG13 VAL 11 0.304 -2.214 4.652 91 HG21 VAL 11 HG21 VAL 11 0.679 1.400 4.367 92 HG22 VAL 11 HG22 VAL 11 2.358 0.897 4.176 93 HG23 VAL 11 HG23 VAL 11 1.827 1.636 5.684 94 H LYS 12 H LYS 12 1.497 -2.178 7.852 95 HA LYS 12 HA LYS 12 -0.390 -4.237 7.431 96 HB2 LYS 12 HB2 LYS 12 2.038 -4.577 8.041 97 HB3 LYS 12 HB3 LYS 12 1.616 -4.100 9.685 98 HG2 LYS 12 HG2 LYS 12 -0.304 -6.057 8.996 99 HG3 LYS 12 HG3 LYS 12 1.201 -6.663 8.324 100 HD2 LYS 12 HD2 LYS 12 2.262 -6.705 10.449 101 HD3 LYS 12 HD3 LYS 12 1.033 -5.672 11.172 102 HE2 LYS 12 HE2 LYS 12 -0.370 -7.416 11.586 103 HE3 LYS 12 HE3 LYS 12 -0.046 -8.195 10.033 104 HZ1 LYS 12 HZ1 LYS 12 0.760 -9.400 12.081 105 HZ2 LYS 12 HZ2 LYS 12 1.926 -8.171 12.256 106 HZ3 LYS 12 HZ3 LYS 12 1.921 -9.149 10.869 107 H SER 13 H SER 13 0.092 -1.933 10.075 108 HA SER 13 HA SER 13 -1.583 -3.087 11.978 109 HB2 SER 13 HB2 SER 13 -0.088 -1.223 12.478 110 HB3 SER 13 HB3 SER 13 -1.048 -0.157 11.455 111 HG SER 13 HG SER 13 -2.205 0.155 13.175 112 H ILE 14 H ILE 14 -2.449 -0.817 9.338 113 HA ILE 14 HA ILE 14 -5.178 -0.608 10.193 114 HB ILE 14 HB ILE 14 -4.027 -0.065 7.445 115 HG12 ILE 14 HG12 ILE 14 -2.776 1.260 9.087 116 HG13 ILE 14 HG13 ILE 14 -3.849 2.318 8.179 117 HG21 ILE 14 HG21 ILE 14 -6.408 1.319 8.680 118 HG22 ILE 14 HG22 ILE 14 -6.594 -0.217 7.840 119 HG23 ILE 14 HG23 ILE 14 -5.963 1.185 6.981 120 HD11 ILE 14 HD11 ILE 14 -5.470 1.716 10.285 121 HD12 ILE 14 HD12 ILE 14 -4.367 3.091 10.282 122 HD13 ILE 14 HD13 ILE 14 -3.894 1.586 11.068 123 H ILE 15 H ILE 15 -3.570 -2.380 7.542 124 HA ILE 15 HA ILE 15 -5.856 -3.626 6.509 125 HB ILE 15 HB ILE 15 -2.930 -4.428 6.428 126 HG12 ILE 15 HG12 ILE 15 -4.648 -3.138 4.288 127 HG13 ILE 15 HG13 ILE 15 -3.725 -2.190 5.451 128 HG21 ILE 15 HG21 ILE 15 -3.506 -5.842 4.508 129 HG22 ILE 15 HG22 ILE 15 -5.204 -5.395 4.652 130 HG23 ILE 15 HG23 ILE 15 -4.437 -6.369 5.910 131 HD11 ILE 15 HD11 ILE 15 -2.439 -4.327 3.739 132 HD12 ILE 15 HD12 ILE 15 -1.645 -3.044 4.651 133 HD13 ILE 15 HD13 ILE 15 -2.577 -2.652 3.206 134 H SER 16 H SER 16 -3.459 -4.923 8.809 135 HA SER 16 HA SER 16 -4.676 -7.451 9.129 136 HB2 SER 16 HB2 SER 16 -2.720 -5.933 10.847 137 HB3 SER 16 HB3 SER 16 -3.206 -7.598 11.156 138 HG SER 16 HG SER 16 -1.929 -8.197 9.610 139 H GLU 17 H GLU 17 -4.971 -4.470 10.942 140 HA GLU 17 HA GLU 17 -6.414 -5.503 13.150 141 HB2 GLU 17 HB2 GLU 17 -5.235 -3.370 13.257 142 HB3 GLU 17 HB3 GLU 17 -6.278 -2.696 12.012 143 HG2 GLU 17 HG2 GLU 17 -8.233 -2.977 13.506 144 HG3 GLU 17 HG3 GLU 17 -7.186 -3.649 14.750 145 H LYS 18 H LYS 18 -7.445 -4.035 10.091 146 HA LYS 18 HA LYS 18 -10.231 -4.258 10.860 147 HB2 LYS 18 HB2 LYS 18 -8.892 -3.174 8.383 148 HB3 LYS 18 HB3 LYS 18 -10.639 -3.183 8.632 149 HG2 LYS 18 HG2 LYS 18 -10.364 -1.869 10.697 150 HG3 LYS 18 HG3 LYS 18 -8.616 -1.869 10.474 151 HD2 LYS 18 HD2 LYS 18 -8.874 -0.649 8.354 152 HD3 LYS 18 HD3 LYS 18 -10.628 -0.670 8.547 153 HE2 LYS 18 HE2 LYS 18 -9.737 1.486 9.306 154 HE3 LYS 18 HE3 LYS 18 -10.385 0.589 10.679 155 HZ1 LYS 18 HZ1 LYS 18 -8.324 0.207 11.530 156 HZ2 LYS 18 HZ2 LYS 18 -8.012 1.685 10.748 157 HZ3 LYS 18 HZ3 LYS 18 -7.560 0.221 10.013 158 H LEU 19 H LEU 19 -7.989 -6.237 9.170 159 HA LEU 19 HA LEU 19 -10.203 -7.720 7.881 160 HB2 LEU 19 HB2 LEU 19 -7.241 -7.796 7.269 161 HB3 LEU 19 HB3 LEU 19 -8.476 -8.744 6.450 162 HG LEU 19 HG LEU 19 -8.430 -5.709 6.537 163 HD11 LEU 19 HD11 LEU 19 -7.793 -7.480 4.167 164 HD12 LEU 19 HD12 LEU 19 -6.541 -6.886 5.254 165 HD13 LEU 19 HD13 LEU 19 -7.522 -5.746 4.336 166 HD21 LEU 19 HD21 LEU 19 -10.684 -6.522 6.180 167 HD22 LEU 19 HD22 LEU 19 -10.122 -7.730 5.024 168 HD23 LEU 19 HD23 LEU 19 -10.062 -6.017 4.608 169 H GLY 20 H GLY 20 -7.809 -7.915 10.374 170 HA2 GLY 20 HA2 GLY 20 -7.434 -9.552 11.970 171 HA3 GLY 20 HA3 GLY 20 -8.797 -10.448 11.299 172 H VAL 21 H VAL 21 -5.849 -9.312 9.704 173 HA VAL 21 HA VAL 21 -5.080 -12.137 9.162 174 HB VAL 21 HB VAL 21 -4.824 -9.830 7.211 175 HG11 VAL 21 HG11 VAL 21 -4.394 -11.810 5.628 176 HG12 VAL 21 HG12 VAL 21 -4.186 -12.784 7.082 177 HG13 VAL 21 HG13 VAL 21 -3.112 -11.421 6.773 178 HG21 VAL 21 HG21 VAL 21 -6.838 -12.098 7.392 179 HG22 VAL 21 HG22 VAL 21 -6.565 -11.179 5.911 180 HG23 VAL 21 HG23 VAL 21 -7.171 -10.366 7.353 181 H ASP 22 H ASP 22 -2.880 -12.604 9.217 182 HA ASP 22 HA ASP 22 -1.214 -10.574 10.480 183 HB2 ASP 22 HB2 ASP 22 -1.143 -13.530 10.249 184 HB3 ASP 22 HB3 ASP 22 0.417 -12.714 10.347 185 H GLU 23 H GLU 23 0.748 -9.941 9.784 186 HA GLU 23 HA GLU 23 1.063 -9.046 7.250 187 HB2 GLU 23 HB2 GLU 23 3.393 -8.630 7.725 188 HB3 GLU 23 HB3 GLU 23 2.442 -8.345 9.174 189 HG2 GLU 23 HG2 GLU 23 2.990 -10.799 9.777 190 HG3 GLU 23 HG3 GLU 23 4.236 -10.665 8.536 191 H SER 24 H SER 24 1.506 -12.393 8.120 192 HA SER 24 HA SER 24 3.415 -13.206 6.241 193 HB2 SER 24 HB2 SER 24 2.491 -14.720 7.955 194 HB3 SER 24 HB3 SER 24 0.924 -14.680 7.151 195 HG SER 24 HG SER 24 3.201 -16.072 6.532 196 H GLN 25 H GLN 25 -0.059 -12.612 5.950 197 HA GLN 25 HA GLN 25 -0.271 -13.336 3.168 198 HB2 GLN 25 HB2 GLN 25 -2.018 -11.731 5.037 199 HB3 GLN 25 HB3 GLN 25 -2.420 -11.990 3.343 200 HG2 GLN 25 HG2 GLN 25 -1.824 -14.256 5.248 201 HG3 GLN 25 HG3 GLN 25 -3.455 -13.651 4.960 202 HE21 GLN 25 HE21 GLN 25 -3.684 -13.278 2.289 203 HE22 GLN 25 HE22 GLN 25 -3.303 -14.696 1.426 204 H VAL 26 H VAL 26 0.794 -10.553 4.925 205 HA VAL 26 HA VAL 26 0.466 -8.665 2.773 206 HB VAL 26 HB VAL 26 1.900 -8.432 5.430 207 HG11 VAL 26 HG11 VAL 26 1.011 -6.173 3.627 208 HG12 VAL 26 HG12 VAL 26 2.649 -6.823 3.588 209 HG13 VAL 26 HG13 VAL 26 2.031 -6.076 5.061 210 HG21 VAL 26 HG21 VAL 26 -0.822 -7.441 4.523 211 HG22 VAL 26 HG22 VAL 26 -0.095 -7.142 6.103 212 HG23 VAL 26 HG23 VAL 26 -0.538 -8.782 5.631 213 H THR 27 H THR 27 1.847 -8.389 1.140 214 HA THR 27 HA THR 27 4.719 -8.852 1.543 215 HB THR 27 HB THR 27 3.411 -10.079 -0.880 216 HG1 THR 27 HG1 THR 27 2.528 -11.245 0.709 217 HG21 THR 27 HG21 THR 27 5.864 -9.629 -0.867 218 HG22 THR 27 HG22 THR 27 5.489 -11.346 -0.980 219 HG23 THR 27 HG23 THR 27 6.014 -10.658 0.556 220 H GLU 28 H GLU 28 6.011 -7.783 0.006 221 HA GLU 28 HA GLU 28 4.975 -5.366 -0.999 222 HB2 GLU 28 HB2 GLU 28 7.513 -6.876 -1.632 223 HB3 GLU 28 HB3 GLU 28 7.146 -5.287 -2.304 224 HG2 GLU 28 HG2 GLU 28 7.010 -4.316 -0.083 225 HG3 GLU 28 HG3 GLU 28 7.189 -5.900 0.664 226 H GLU 29 H GLU 29 5.089 -8.593 -2.296 227 HA GLU 29 HA GLU 29 4.279 -7.630 -4.970 228 HB2 GLU 29 HB2 GLU 29 5.267 -10.354 -4.099 229 HB3 GLU 29 HB3 GLU 29 4.810 -9.914 -5.743 230 HG2 GLU 29 HG2 GLU 29 6.546 -8.136 -5.723 231 HG3 GLU 29 HG3 GLU 29 7.035 -8.656 -4.112 232 H ALA 30 H ALA 30 2.868 -8.711 -2.142 233 HA ALA 30 HA ALA 30 0.836 -10.414 -3.297 234 HB1 ALA 30 HB1 ALA 30 1.291 -9.233 -0.564 235 HB2 ALA 30 HB2 ALA 30 1.311 -10.928 -1.050 236 HB3 ALA 30 HB3 ALA 30 -0.218 -10.051 -0.970 237 H LYS 31 H LYS 31 -1.206 -9.878 -3.858 238 HA LYS 31 HA LYS 31 -1.786 -7.038 -4.223 239 HB2 LYS 31 HB2 LYS 31 -3.358 -9.496 -5.026 240 HB3 LYS 31 HB3 LYS 31 -3.743 -7.843 -5.492 241 HG2 LYS 31 HG2 LYS 31 -1.030 -9.024 -6.098 242 HG3 LYS 31 HG3 LYS 31 -2.395 -9.330 -7.167 243 HD2 LYS 31 HD2 LYS 31 -1.847 -6.483 -6.350 244 HD3 LYS 31 HD3 LYS 31 -0.778 -7.229 -7.535 245 HE2 LYS 31 HE2 LYS 31 -2.468 -6.232 -8.850 246 HE3 LYS 31 HE3 LYS 31 -2.941 -7.929 -8.773 247 HZ1 LYS 31 HZ1 LYS 31 -4.692 -7.479 -7.432 248 HZ2 LYS 31 HZ2 LYS 31 -4.608 -5.973 -8.215 249 HZ3 LYS 31 HZ3 LYS 31 -3.934 -6.169 -6.666 250 H LEU 32 H LEU 32 -3.108 -5.904 -2.944 251 HA LEU 32 HA LEU 32 -3.960 -6.902 -0.462 252 HB2 LEU 32 HB2 LEU 32 -4.709 -4.436 -2.020 253 HB3 LEU 32 HB3 LEU 32 -5.345 -4.762 -0.409 254 HG LEU 32 HG LEU 32 -2.366 -4.817 -0.981 255 HD11 LEU 32 HD11 LEU 32 -4.096 -2.479 -0.091 256 HD12 LEU 32 HD12 LEU 32 -3.176 -2.582 -1.592 257 HD13 LEU 32 HD13 LEU 32 -2.333 -2.498 -0.046 258 HD21 LEU 32 HD21 LEU 32 -4.115 -4.623 1.488 259 HD22 LEU 32 HD22 LEU 32 -2.397 -4.236 1.522 260 HD23 LEU 32 HD23 LEU 32 -2.925 -5.862 1.094 261 H ILE 33 H ILE 33 -5.758 -6.596 -3.521 262 HA ILE 33 HA ILE 33 -8.205 -7.429 -2.210 263 HB ILE 33 HB ILE 33 -8.249 -5.721 -3.987 264 HG12 ILE 33 HG12 ILE 33 -9.755 -8.185 -4.893 265 HG13 ILE 33 HG13 ILE 33 -10.192 -7.307 -3.426 266 HG21 ILE 33 HG21 ILE 33 -7.626 -8.011 -5.877 267 HG22 ILE 33 HG22 ILE 33 -6.449 -6.790 -5.390 268 HG23 ILE 33 HG23 ILE 33 -7.880 -6.318 -6.305 269 HD11 ILE 33 HD11 ILE 33 -10.101 -6.178 -6.241 270 HD12 ILE 33 HD12 ILE 33 -10.407 -5.223 -4.791 271 HD13 ILE 33 HD13 ILE 33 -11.546 -6.478 -5.275 272 H ASP 34 H ASP 34 -5.917 -8.917 -4.513 273 HA ASP 34 HA ASP 34 -7.536 -11.331 -4.609 274 HB2 ASP 34 HB2 ASP 34 -4.816 -10.742 -5.781 275 HB3 ASP 34 HB3 ASP 34 -5.782 -12.177 -6.110 276 H ASP 35 H ASP 35 -4.233 -10.550 -3.494 277 HA ASP 35 HA ASP 35 -3.772 -13.114 -2.353 278 HB2 ASP 35 HB2 ASP 35 -2.043 -11.408 -3.120 279 HB3 ASP 35 HB3 ASP 35 -2.323 -10.601 -1.579 280 H LEU 36 H LEU 36 -5.211 -10.163 -1.056 281 HA LEU 36 HA LEU 36 -5.262 -11.451 1.612 282 HB2 LEU 36 HB2 LEU 36 -4.930 -8.635 0.735 283 HB3 LEU 36 HB3 LEU 36 -5.856 -8.896 2.204 284 HG LEU 36 HG LEU 36 -3.160 -10.208 1.802 285 HD11 LEU 36 HD11 LEU 36 -2.281 -8.259 3.209 286 HD12 LEU 36 HD12 LEU 36 -3.768 -7.409 2.787 287 HD13 LEU 36 HD13 LEU 36 -2.637 -7.889 1.522 288 HD21 LEU 36 HD21 LEU 36 -4.891 -9.461 4.175 289 HD22 LEU 36 HD22 LEU 36 -3.223 -10.015 4.337 290 HD23 LEU 36 HD23 LEU 36 -4.443 -11.081 3.640 291 H GLY 37 H GLY 37 -7.273 -10.257 -0.992 292 HA2 GLY 37 HA2 GLY 37 -9.564 -10.744 -1.229 293 HA3 GLY 37 HA3 GLY 37 -9.616 -11.214 0.458 294 H ALA 38 H ALA 38 -8.155 -8.157 -0.346 295 HA ALA 38 HA ALA 38 -10.291 -6.770 1.091 296 HB1 ALA 38 HB1 ALA 38 -8.787 -4.986 1.346 297 HB2 ALA 38 HB2 ALA 38 -7.837 -5.465 -0.060 298 HB3 ALA 38 HB3 ALA 38 -7.748 -6.408 1.427 299 H ASP 39 H ASP 39 -11.990 -6.364 -0.127 300 HA ASP 39 HA ASP 39 -12.045 -6.001 -2.901 301 HB2 ASP 39 HB2 ASP 39 -14.026 -6.564 -1.476 302 HB3 ASP 39 HB3 ASP 39 -14.043 -4.893 -0.914 303 H SER 40 H SER 40 -12.534 -4.073 -4.134 304 HA SER 40 HA SER 40 -10.708 -2.046 -3.881 305 HB2 SER 40 HB2 SER 40 -12.100 -0.750 -5.438 306 HB3 SER 40 HB3 SER 40 -11.983 -2.440 -5.926 307 HG SER 40 HG SER 40 -14.049 -2.668 -5.567 308 H LEU 41 H LEU 41 -14.007 -2.089 -2.528 309 HA LEU 41 HA LEU 41 -14.043 0.600 -1.630 310 HB2 LEU 41 HB2 LEU 41 -16.070 -0.824 -1.704 311 HB3 LEU 41 HB3 LEU 41 -15.402 -1.844 -0.435 312 HG LEU 41 HG LEU 41 -15.357 0.161 1.079 313 HD11 LEU 41 HD11 LEU 41 -16.821 2.101 0.364 314 HD12 LEU 41 HD12 LEU 41 -16.788 1.437 -1.270 315 HD13 LEU 41 HD13 LEU 41 -15.293 1.978 -0.508 316 HD21 LEU 41 HD21 LEU 41 -17.228 -1.443 1.135 317 HD22 LEU 41 HD22 LEU 41 -18.052 -0.533 -0.130 318 HD23 LEU 41 HD23 LEU 41 -17.801 0.194 1.458 319 H ASP 42 H ASP 42 -13.128 -2.423 -0.051 320 HA ASP 42 HA ASP 42 -12.296 -1.377 2.421 321 HB2 ASP 42 HB2 ASP 42 -11.427 -3.844 0.911 322 HB3 ASP 42 HB3 ASP 42 -10.892 -3.479 2.549 323 H LEU 43 H LEU 43 -10.561 -1.848 -0.616 324 HA LEU 43 HA LEU 43 -7.965 -1.232 0.240 325 HB2 LEU 43 HB2 LEU 43 -8.518 -2.270 -1.941 326 HB3 LEU 43 HB3 LEU 43 -9.253 -0.761 -2.467 327 HG LEU 43 HG LEU 43 -7.035 0.375 -2.147 328 HD11 LEU 43 HD11 LEU 43 -5.999 -1.124 -0.534 329 HD12 LEU 43 HD12 LEU 43 -5.021 -1.116 -2.002 330 HD13 LEU 43 HD13 LEU 43 -6.099 -2.472 -1.667 331 HD21 LEU 43 HD21 LEU 43 -7.139 -2.007 -4.021 332 HD22 LEU 43 HD22 LEU 43 -5.969 -0.693 -4.149 333 HD23 LEU 43 HD23 LEU 43 -7.688 -0.367 -4.369 334 H VAL 44 H VAL 44 -10.591 0.836 -0.993 335 HA VAL 44 HA VAL 44 -9.142 3.246 -1.090 336 HB VAL 44 HB VAL 44 -12.096 2.700 -0.676 337 HG11 VAL 44 HG11 VAL 44 -12.375 5.094 -1.482 338 HG12 VAL 44 HG12 VAL 44 -10.652 5.320 -1.177 339 HG13 VAL 44 HG13 VAL 44 -11.740 4.933 0.157 340 HG21 VAL 44 HG21 VAL 44 -10.659 3.731 -3.131 341 HG22 VAL 44 HG22 VAL 44 -12.291 3.070 -3.025 342 HG23 VAL 44 HG23 VAL 44 -10.897 2.010 -2.831 343 H ASP 45 H ASP 45 -11.091 1.790 1.508 344 HA ASP 45 HA ASP 45 -10.802 3.865 3.392 345 HB2 ASP 45 HB2 ASP 45 -11.298 0.902 3.713 346 HB3 ASP 45 HB3 ASP 45 -11.293 2.024 5.069 347 H LEU 46 H LEU 46 -8.830 1.000 2.730 348 HA LEU 46 HA LEU 46 -7.066 1.213 4.934 349 HB2 LEU 46 HB2 LEU 46 -6.693 0.041 2.170 350 HB3 LEU 46 HB3 LEU 46 -5.491 -0.103 3.451 351 HG LEU 46 HG LEU 46 -8.368 -0.976 3.812 352 HD11 LEU 46 HD11 LEU 46 -5.965 -2.507 2.794 353 HD12 LEU 46 HD12 LEU 46 -7.553 -2.359 2.045 354 HD13 LEU 46 HD13 LEU 46 -7.359 -3.314 3.514 355 HD21 LEU 46 HD21 LEU 46 -5.779 -1.480 5.306 356 HD22 LEU 46 HD22 LEU 46 -7.265 -2.379 5.612 357 HD23 LEU 46 HD23 LEU 46 -7.213 -0.644 5.901 358 H VAL 47 H VAL 47 -6.693 2.374 1.568 359 HA VAL 47 HA VAL 47 -4.232 3.670 2.050 360 HB VAL 47 HB VAL 47 -4.958 3.072 -0.218 361 HG11 VAL 47 HG11 VAL 47 -6.661 4.522 -1.350 362 HG12 VAL 47 HG12 VAL 47 -7.038 5.241 0.213 363 HG13 VAL 47 HG13 VAL 47 -7.339 3.526 -0.064 364 HG21 VAL 47 HG21 VAL 47 -4.650 6.077 0.082 365 HG22 VAL 47 HG22 VAL 47 -4.253 5.118 -1.342 366 HG23 VAL 47 HG23 VAL 47 -3.318 4.923 0.140 367 H MET 48 H MET 48 -7.615 4.804 2.346 368 HA MET 48 HA MET 48 -7.098 7.536 2.690 369 HB2 MET 48 HB2 MET 48 -9.369 6.530 2.442 370 HB3 MET 48 HB3 MET 48 -9.224 5.857 4.062 371 HG2 MET 48 HG2 MET 48 -10.499 7.935 4.174 372 HG3 MET 48 HG3 MET 48 -8.938 8.174 4.958 373 HE1 MET 48 HE1 MET 48 -10.473 9.833 0.993 374 HE2 MET 48 HE2 MET 48 -11.307 8.840 2.184 375 HE3 MET 48 HE3 MET 48 -10.114 8.106 1.117 376 H ASP 49 H ASP 49 -7.242 4.889 5.061 377 HA ASP 49 HA ASP 49 -6.739 6.318 7.397 378 HB2 ASP 49 HB2 ASP 49 -7.218 3.790 7.076 379 HB3 ASP 49 HB3 ASP 49 -5.471 3.615 6.895 380 H PHE 50 H PHE 50 -4.511 5.147 4.933 381 HA PHE 50 HA PHE 50 -2.060 5.934 6.221 382 HB2 PHE 50 HB2 PHE 50 -2.608 5.582 3.259 383 HB3 PHE 50 HB3 PHE 50 -1.046 5.550 4.041 384 HD1 PHE 50 HD1 PHE 50 -1.526 3.420 2.312 385 HD2 PHE 50 HD2 PHE 50 -2.936 3.768 6.362 386 HE1 PHE 50 HE1 PHE 50 -1.774 0.964 2.449 387 HE2 PHE 50 HE2 PHE 50 -3.180 1.314 6.480 388 HZ PHE 50 HZ PHE 50 -2.601 -0.088 4.525 389 H GLU 51 H GLU 51 -4.334 7.428 4.022 390 HA GLU 51 HA GLU 51 -2.897 9.600 3.035 391 HB2 GLU 51 HB2 GLU 51 -5.176 8.789 2.292 392 HB3 GLU 51 HB3 GLU 51 -5.852 9.590 3.705 393 HG2 GLU 51 HG2 GLU 51 -4.757 11.727 2.887 394 HG3 GLU 51 HG3 GLU 51 -4.413 10.872 1.383 395 H SER 52 H SER 52 -4.859 9.337 6.009 396 HA SER 52 HA SER 52 -4.298 12.098 6.742 397 HB2 SER 52 HB2 SER 52 -5.692 11.631 8.695 398 HB3 SER 52 HB3 SER 52 -6.496 11.097 7.222 399 HG SER 52 HG SER 52 -6.473 9.157 8.008 400 H GLU 53 H GLU 53 -3.373 8.861 7.827 401 HA GLU 53 HA GLU 53 -1.967 9.618 10.144 402 HB2 GLU 53 HB2 GLU 53 -1.611 7.250 8.307 403 HB3 GLU 53 HB3 GLU 53 -0.684 7.455 9.792 404 HG2 GLU 53 HG2 GLU 53 -2.708 7.486 11.124 405 HG3 GLU 53 HG3 GLU 53 -3.711 7.487 9.679 406 H PHE 54 H PHE 54 -0.723 9.137 6.806 407 HA PHE 54 HA PHE 54 1.894 10.104 7.638 408 HB2 PHE 54 HB2 PHE 54 0.823 9.185 4.969 409 HB3 PHE 54 HB3 PHE 54 2.479 9.718 5.228 410 HD1 PHE 54 HD1 PHE 54 0.059 7.036 5.743 411 HD2 PHE 54 HD2 PHE 54 3.967 8.467 6.804 412 HE1 PHE 54 HE1 PHE 54 0.649 4.787 6.604 413 HE2 PHE 54 HE2 PHE 54 4.556 6.217 7.663 414 HZ PHE 54 HZ PHE 54 2.896 4.377 7.562 415 H GLY 55 H GLY 55 -0.892 11.741 6.905 416 HA2 GLY 55 HA2 GLY 55 -1.331 13.921 6.257 417 HA3 GLY 55 HA3 GLY 55 0.365 14.250 6.620 418 H VAL 56 H VAL 56 -0.984 12.008 4.271 419 HA VAL 56 HA VAL 56 0.162 13.605 2.061 420 HB VAL 56 HB VAL 56 1.701 11.772 2.632 421 HG11 VAL 56 HG11 VAL 56 -0.213 10.305 3.550 422 HG12 VAL 56 HG12 VAL 56 1.078 9.487 2.668 423 HG13 VAL 56 HG13 VAL 56 -0.468 9.804 1.877 424 HG21 VAL 56 HG21 VAL 56 0.237 11.015 0.097 425 HG22 VAL 56 HG22 VAL 56 1.961 10.861 0.445 426 HG23 VAL 56 HG23 VAL 56 1.247 12.458 0.213 427 H LYS 57 H LYS 57 -1.065 13.773 0.271 428 HA LYS 57 HA LYS 57 -3.738 12.558 0.322 429 HB2 LYS 57 HB2 LYS 57 -3.562 15.011 -0.037 430 HB3 LYS 57 HB3 LYS 57 -2.611 14.718 -1.491 431 HG2 LYS 57 HG2 LYS 57 -4.903 15.124 -2.173 432 HG3 LYS 57 HG3 LYS 57 -4.564 13.411 -2.418 433 HD2 LYS 57 HD2 LYS 57 -5.682 12.867 -0.299 434 HD3 LYS 57 HD3 LYS 57 -5.978 14.577 0.004 435 HE2 LYS 57 HE2 LYS 57 -7.366 14.712 -2.017 436 HE3 LYS 57 HE3 LYS 57 -7.043 13.013 -2.365 437 HZ1 LYS 57 HZ1 LYS 57 -8.002 12.520 -0.125 438 HZ2 LYS 57 HZ2 LYS 57 -9.117 13.112 -1.266 439 HZ3 LYS 57 HZ3 LYS 57 -8.514 14.136 -0.051 440 H VAL 58 H VAL 58 -4.505 11.180 -1.322 441 HA VAL 58 HA VAL 58 -2.421 10.198 -3.182 442 HB VAL 58 HB VAL 58 -3.617 8.036 -3.159 443 HG11 VAL 58 HG11 VAL 58 -2.753 7.311 -1.071 444 HG12 VAL 58 HG12 VAL 58 -3.053 8.872 -0.307 445 HG13 VAL 58 HG13 VAL 58 -1.764 8.705 -1.497 446 HG21 VAL 58 HG21 VAL 58 -5.876 8.815 -2.605 447 HG22 VAL 58 HG22 VAL 58 -5.321 9.382 -1.030 448 HG23 VAL 58 HG23 VAL 58 -5.341 7.655 -1.388 449 H ASP 59 H ASP 59 -2.834 10.003 -5.255 450 HA ASP 59 HA ASP 59 -5.276 11.248 -6.292 451 HB2 ASP 59 HB2 ASP 59 -4.012 10.836 -8.578 452 HB3 ASP 59 HB3 ASP 59 -3.585 12.173 -7.543 453 H ASP 60 H ASP 60 -6.481 10.440 -7.975 454 HA ASP 60 HA ASP 60 -7.335 7.755 -7.723 455 HB2 ASP 60 HB2 ASP 60 -7.642 9.736 -9.998 456 HB3 ASP 60 HB3 ASP 60 -8.405 8.151 -9.997 457 H ALA 61 H ALA 61 -4.835 9.340 -9.553 458 HA ALA 61 HA ALA 61 -4.189 7.231 -11.373 459 HB1 ALA 61 HB1 ALA 61 -1.827 8.466 -11.105 460 HB2 ALA 61 HB2 ALA 61 -2.851 9.706 -10.381 461 HB3 ALA 61 HB3 ALA 61 -3.148 9.173 -12.036 462 H ASP 62 H ASP 62 -3.125 8.112 -8.084 463 HA ASP 62 HA ASP 62 -1.124 6.141 -7.787 464 HB2 ASP 62 HB2 ASP 62 -2.847 7.533 -5.732 465 HB3 ASP 62 HB3 ASP 62 -1.558 6.420 -5.314 466 H LEU 63 H LEU 63 -4.621 6.088 -7.151 467 HA LEU 63 HA LEU 63 -4.729 3.591 -5.873 468 HB2 LEU 63 HB2 LEU 63 -6.743 4.989 -7.645 469 HB3 LEU 63 HB3 LEU 63 -7.096 3.497 -6.779 470 HG LEU 63 HG LEU 63 -6.073 5.992 -5.397 471 HD11 LEU 63 HD11 LEU 63 -8.338 6.543 -4.834 472 HD12 LEU 63 HD12 LEU 63 -8.943 5.033 -5.517 473 HD13 LEU 63 HD13 LEU 63 -8.311 6.289 -6.579 474 HD21 LEU 63 HD21 LEU 63 -5.732 4.009 -4.070 475 HD22 LEU 63 HD22 LEU 63 -7.338 3.396 -4.468 476 HD23 LEU 63 HD23 LEU 63 -7.167 4.806 -3.423 477 H GLU 64 H GLU 64 -4.934 4.380 -9.369 478 HA GLU 64 HA GLU 64 -5.239 1.706 -10.234 479 HB2 GLU 64 HB2 GLU 64 -4.297 4.210 -11.636 480 HB3 GLU 64 HB3 GLU 64 -4.529 2.670 -12.460 481 HG2 GLU 64 HG2 GLU 64 -6.669 4.163 -10.907 482 HG3 GLU 64 HG3 GLU 64 -6.526 4.130 -12.661 483 H LYS 65 H LYS 65 -2.420 3.705 -9.590 484 HA LYS 65 HA LYS 65 -0.538 1.831 -10.776 485 HB2 LYS 65 HB2 LYS 65 -0.418 4.512 -9.477 486 HB3 LYS 65 HB3 LYS 65 1.033 3.530 -9.374 487 HG2 LYS 65 HG2 LYS 65 1.588 4.005 -11.509 488 HG3 LYS 65 HG3 LYS 65 0.038 3.423 -12.100 489 HD2 LYS 65 HD2 LYS 65 0.272 5.731 -12.782 490 HD3 LYS 65 HD3 LYS 65 -0.949 5.671 -11.523 491 HE2 LYS 65 HE2 LYS 65 1.835 6.130 -10.567 492 HE3 LYS 65 HE3 LYS 65 1.127 7.432 -11.520 493 HZ1 LYS 65 HZ1 LYS 65 -0.202 8.002 -9.834 494 HZ2 LYS 65 HZ2 LYS 65 0.697 6.937 -8.858 495 HZ3 LYS 65 HZ3 LYS 65 -0.721 6.403 -9.612 496 H ILE 66 H ILE 66 -2.101 2.127 -7.764 497 HA ILE 66 HA ILE 66 -0.022 0.542 -6.374 498 HB ILE 66 HB ILE 66 -2.257 2.260 -5.245 499 HG12 ILE 66 HG12 ILE 66 0.742 2.640 -5.014 500 HG13 ILE 66 HG13 ILE 66 -0.195 3.371 -6.313 501 HG21 ILE 66 HG21 ILE 66 -0.874 1.837 -3.084 502 HG22 ILE 66 HG22 ILE 66 -0.234 0.440 -3.939 503 HG23 ILE 66 HG23 ILE 66 -1.963 0.563 -3.627 504 HD11 ILE 66 HD11 ILE 66 -0.489 3.846 -3.334 505 HD12 ILE 66 HD12 ILE 66 -1.676 4.398 -4.517 506 HD13 ILE 66 HD13 ILE 66 -0.025 5.019 -4.569 507 H SER 67 H SER 67 -0.413 -1.583 -6.508 508 HA SER 67 HA SER 67 -3.198 -2.532 -6.143 509 HB2 SER 67 HB2 SER 67 -0.969 -3.734 -7.794 510 HB3 SER 67 HB3 SER 67 -2.515 -4.518 -7.483 511 HG SER 67 HG SER 67 -2.120 -3.047 -9.457 512 H THR 68 H THR 68 0.226 -3.463 -5.691 513 HA THR 68 HA THR 68 -0.562 -5.342 -3.583 514 HB THR 68 HB THR 68 1.803 -6.095 -3.689 515 HG1 THR 68 HG1 THR 68 3.167 -5.149 -5.156 516 HG21 THR 68 HG21 THR 68 1.697 -7.081 -5.917 517 HG22 THR 68 HG22 THR 68 0.530 -5.865 -6.433 518 HG23 THR 68 HG23 THR 68 0.078 -7.058 -5.217 519 H VAL 69 H VAL 69 0.835 -5.417 -1.628 520 HA VAL 69 HA VAL 69 0.732 -2.964 -0.225 521 HB VAL 69 HB VAL 69 2.349 -5.433 0.462 522 HG11 VAL 69 HG11 VAL 69 2.378 -4.616 2.722 523 HG12 VAL 69 HG12 VAL 69 1.302 -3.282 2.311 524 HG13 VAL 69 HG13 VAL 69 2.952 -3.309 1.691 525 HG21 VAL 69 HG21 VAL 69 -0.359 -4.687 1.569 526 HG22 VAL 69 HG22 VAL 69 0.454 -6.251 1.620 527 HG23 VAL 69 HG23 VAL 69 -0.209 -5.654 0.101 528 H GLY 70 H GLY 70 3.200 -4.415 -2.234 529 HA2 GLY 70 HA2 GLY 70 5.484 -3.026 -1.323 530 HA3 GLY 70 HA3 GLY 70 5.253 -3.630 -2.964 531 H ASP 71 H ASP 71 2.994 -2.191 -3.694 532 HA ASP 71 HA ASP 71 4.084 0.287 -4.513 533 HB2 ASP 71 HB2 ASP 71 1.280 -0.826 -4.552 534 HB3 ASP 71 HB3 ASP 71 1.687 0.754 -5.214 535 H ILE 72 H ILE 72 1.851 -0.654 -1.914 536 HA ILE 72 HA ILE 72 1.126 1.952 -1.038 537 HB ILE 72 HB ILE 72 1.401 -0.669 0.474 538 HG12 ILE 72 HG12 ILE 72 -0.255 -0.670 -1.394 539 HG13 ILE 72 HG13 ILE 72 -0.991 -0.918 0.180 540 HG21 ILE 72 HG21 ILE 72 0.000 0.289 2.229 541 HG22 ILE 72 HG22 ILE 72 -0.072 1.827 1.372 542 HG23 ILE 72 HG23 ILE 72 1.459 1.258 2.037 543 HD11 ILE 72 HD11 ILE 72 -0.871 1.858 -0.996 544 HD12 ILE 72 HD12 ILE 72 -1.992 1.208 0.192 545 HD13 ILE 72 HD13 ILE 72 -2.128 0.732 -1.497 546 H VAL 73 H VAL 73 3.631 -0.294 0.070 547 HA VAL 73 HA VAL 73 4.798 1.332 2.022 548 HB VAL 73 HB VAL 73 5.931 -0.944 0.381 549 HG11 VAL 73 HG11 VAL 73 7.622 -1.142 2.240 550 HG12 VAL 73 HG12 VAL 73 7.081 0.425 2.838 551 HG13 VAL 73 HG13 VAL 73 7.833 0.301 1.247 552 HG21 VAL 73 HG21 VAL 73 4.977 -0.869 3.256 553 HG22 VAL 73 HG22 VAL 73 5.392 -2.294 2.302 554 HG23 VAL 73 HG23 VAL 73 3.956 -1.352 1.901 555 H SER 74 H SER 74 5.832 0.790 -1.348 556 HA SER 74 HA SER 74 8.012 2.583 -1.290 557 HB2 SER 74 HB2 SER 74 6.344 1.560 -3.598 558 HB3 SER 74 HB3 SER 74 7.828 2.489 -3.788 559 HG SER 74 HG SER 74 7.549 0.033 -2.382 560 H TYR 75 H TYR 75 4.613 3.038 -2.114 561 HA TYR 75 HA TYR 75 4.769 5.578 -3.278 562 HB2 TYR 75 HB2 TYR 75 2.783 4.211 -3.476 563 HB3 TYR 75 HB3 TYR 75 2.552 4.213 -1.732 564 HD1 TYR 75 HD1 TYR 75 2.577 6.396 -4.755 565 HD2 TYR 75 HD2 TYR 75 1.412 5.985 -0.643 566 HE1 TYR 75 HE1 TYR 75 1.251 8.484 -4.918 567 HE2 TYR 75 HE2 TYR 75 0.082 8.067 -0.807 568 HH TYR 75 HH TYR 75 0.190 10.194 -2.316 569 H ILE 76 H ILE 76 4.060 4.697 0.107 570 HA ILE 76 HA ILE 76 3.951 7.414 0.998 571 HB ILE 76 HB ILE 76 4.353 4.920 2.676 572 HG12 ILE 76 HG12 ILE 76 1.764 6.281 1.849 573 HG13 ILE 76 HG13 ILE 76 2.362 4.783 1.172 574 HG21 ILE 76 HG21 ILE 76 3.291 6.325 4.438 575 HG22 ILE 76 HG22 ILE 76 3.239 7.679 3.306 576 HG23 ILE 76 HG23 ILE 76 4.790 7.041 3.850 577 HD11 ILE 76 HD11 ILE 76 0.736 4.208 2.865 578 HD12 ILE 76 HD12 ILE 76 1.541 5.238 4.048 579 HD13 ILE 76 HD13 ILE 76 2.336 3.773 3.470 580 H GLU 77 H GLU 77 6.355 4.838 1.152 581 HA GLU 77 HA GLU 77 8.287 6.110 2.727 582 HB2 GLU 77 HB2 GLU 77 8.188 3.692 2.178 583 HB3 GLU 77 HB3 GLU 77 8.655 4.062 0.525 584 HG2 GLU 77 HG2 GLU 77 10.436 5.116 2.683 585 HG3 GLU 77 HG3 GLU 77 10.430 3.374 2.424 586 H LYS 78 H LYS 78 7.893 6.043 -0.814 587 HA LYS 78 HA LYS 78 10.241 7.631 -1.297 588 HB2 LYS 78 HB2 LYS 78 7.974 6.734 -3.081 589 HB3 LYS 78 HB3 LYS 78 9.360 7.664 -3.651 590 HG2 LYS 78 HG2 LYS 78 10.882 5.899 -2.843 591 HG3 LYS 78 HG3 LYS 78 9.499 4.966 -2.273 592 HD2 LYS 78 HD2 LYS 78 8.623 4.861 -4.585 593 HD3 LYS 78 HD3 LYS 78 10.027 5.767 -5.150 594 HE2 LYS 78 HE2 LYS 78 10.158 3.092 -3.728 595 HE3 LYS 78 HE3 LYS 78 10.295 3.310 -5.473 596 HZ1 LYS 78 HZ1 LYS 78 12.124 5.018 -4.716 597 HZ2 LYS 78 HZ2 LYS 78 12.478 3.367 -4.902 598 HZ3 LYS 78 HZ3 LYS 78 12.187 4.009 -3.355 599 H LYS 79 H LYS 79 6.742 8.212 -1.274 600 HA LYS 79 HA LYS 79 6.815 10.842 -2.264 601 HB2 LYS 79 HB2 LYS 79 4.759 9.447 -2.124 602 HB3 LYS 79 HB3 LYS 79 4.778 9.656 -0.373 603 HG2 LYS 79 HG2 LYS 79 4.268 11.939 -0.495 604 HG3 LYS 79 HG3 LYS 79 4.853 12.093 -2.148 605 HD2 LYS 79 HD2 LYS 79 2.454 10.368 -1.521 606 HD3 LYS 79 HD3 LYS 79 2.280 12.108 -1.739 607 HE2 LYS 79 HE2 LYS 79 3.586 11.766 -3.950 608 HE3 LYS 79 HE3 LYS 79 3.224 10.052 -3.740 609 HZ1 LYS 79 HZ1 LYS 79 1.099 10.365 -4.303 610 HZ2 LYS 79 HZ2 LYS 79 1.602 11.860 -4.927 611 HZ3 LYS 79 HZ3 LYS 79 0.940 11.769 -3.366 612 H LEU 80 H LEU 80 6.905 9.633 1.096 613 HA LEU 80 HA LEU 80 6.877 12.214 2.284 614 HB2 LEU 80 HB2 LEU 80 7.780 9.529 3.325 615 HB3 LEU 80 HB3 LEU 80 7.801 10.991 4.306 616 HG LEU 80 HG LEU 80 5.306 9.976 2.901 617 HD11 LEU 80 HD11 LEU 80 6.021 9.669 5.828 618 HD12 LEU 80 HD12 LEU 80 6.270 8.389 4.640 619 HD13 LEU 80 HD13 LEU 80 4.642 8.975 4.976 620 HD21 LEU 80 HD21 LEU 80 5.132 12.316 3.450 621 HD22 LEU 80 HD22 LEU 80 5.865 12.063 5.034 622 HD23 LEU 80 HD23 LEU 80 4.246 11.446 4.702 623 H GLY 81 H GLY 81 9.454 10.229 0.959 624 HA2 GLY 81 HA2 GLY 81 11.296 12.157 0.479 625 HA3 GLY 81 HA3 GLY 81 11.581 11.771 2.173 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 9.816 10.700 12.467 2 H2 MET 1 HT2 MET 1 9.370 10.071 10.953 3 H3 MET 1 HT3 MET 1 10.520 11.317 11.053 4 HA MET 1 HA MET 1 12.089 9.880 12.127 5 HB2 MET 1 HB2 MET 1 9.787 7.916 11.996 6 HB3 MET 1 HB3 MET 1 11.452 7.430 12.321 7 HG2 MET 1 HG2 MET 1 11.476 9.077 14.231 8 HG3 MET 1 HG3 MET 1 9.749 9.319 13.968 9 HE1 MET 1 HE1 MET 1 8.070 6.058 14.797 10 HE2 MET 1 HE2 MET 1 8.537 6.642 13.202 11 HE3 MET 1 HE3 MET 1 7.943 7.780 14.408 12 H ALA 2 H ALA 2 9.749 8.892 9.641 13 HA ALA 2 HA ALA 2 10.007 8.139 7.487 14 HB1 ALA 2 HB1 ALA 2 12.649 9.606 7.526 15 HB2 ALA 2 HB2 ALA 2 11.098 10.435 7.391 16 HB3 ALA 2 HB3 ALA 2 11.602 9.295 6.143 17 H SER 3 H SER 3 10.223 5.948 7.721 18 HA SER 3 HA SER 3 12.788 4.833 7.102 19 HB2 SER 3 HB2 SER 3 12.882 5.065 9.614 20 HB3 SER 3 HB3 SER 3 11.516 3.956 9.705 21 HG SER 3 HG SER 3 14.163 3.480 9.150 22 H ARG 4 H ARG 4 12.537 2.848 6.047 23 HA ARG 4 HA ARG 4 10.081 2.214 4.928 24 HB2 ARG 4 HB2 ARG 4 12.271 1.482 4.039 25 HB3 ARG 4 HB3 ARG 4 12.444 0.369 5.393 26 HG2 ARG 4 HG2 ARG 4 10.499 -0.897 4.673 27 HG3 ARG 4 HG3 ARG 4 10.158 0.278 3.402 28 HD2 ARG 4 HD2 ARG 4 12.264 -0.266 2.289 29 HD3 ARG 4 HD3 ARG 4 12.690 -1.376 3.590 30 HE ARG 4 HE ARG 4 11.229 -2.942 2.683 31 HH11 ARG 4 HH11 ARG 4 10.659 0.175 1.181 32 HH12 ARG 4 HH12 ARG 4 9.606 -0.476 -0.030 33 HH21 ARG 4 HH21 ARG 4 9.857 -3.740 1.102 34 HH22 ARG 4 HH22 ARG 4 9.155 -2.676 -0.075 35 H GLU 5 H GLU 5 11.634 0.886 7.819 36 HA GLU 5 HA GLU 5 9.854 -1.210 8.362 37 HB2 GLU 5 HB2 GLU 5 10.545 -0.958 10.741 38 HB3 GLU 5 HB3 GLU 5 11.918 -0.980 9.637 39 HG2 GLU 5 HG2 GLU 5 11.856 1.550 9.678 40 HG3 GLU 5 HG3 GLU 5 10.675 1.447 10.970 41 H GLU 6 H GLU 6 9.700 2.212 9.236 42 HA GLU 6 HA GLU 6 7.385 2.025 10.805 43 HB2 GLU 6 HB2 GLU 6 8.710 4.309 9.362 44 HB3 GLU 6 HB3 GLU 6 7.168 4.539 10.185 45 HG2 GLU 6 HG2 GLU 6 9.635 3.382 11.516 46 HG3 GLU 6 HG3 GLU 6 9.175 5.081 11.608 47 H ILE 7 H ILE 7 7.826 2.523 7.319 48 HA ILE 7 HA ILE 7 5.105 3.154 6.772 49 HB ILE 7 HB ILE 7 7.058 1.782 4.900 50 HG12 ILE 7 HG12 ILE 7 8.144 3.823 5.716 51 HG13 ILE 7 HG13 ILE 7 7.602 4.071 4.062 52 HG21 ILE 7 HG21 ILE 7 4.753 1.767 4.114 53 HG22 ILE 7 HG22 ILE 7 5.694 2.908 3.154 54 HG23 ILE 7 HG23 ILE 7 4.610 3.500 4.411 55 HD11 ILE 7 HD11 ILE 7 6.813 6.024 4.922 56 HD12 ILE 7 HD12 ILE 7 6.684 5.384 6.559 57 HD13 ILE 7 HD13 ILE 7 5.436 5.018 5.370 58 H PHE 8 H PHE 8 6.882 0.118 6.131 59 HA PHE 8 HA PHE 8 4.719 -1.467 5.538 60 HB2 PHE 8 HB2 PHE 8 7.071 -2.118 5.196 61 HB3 PHE 8 HB3 PHE 8 7.275 -2.296 6.934 62 HD1 PHE 8 HD1 PHE 8 5.408 -3.604 3.985 63 HD2 PHE 8 HD2 PHE 8 6.594 -4.293 8.057 64 HE1 PHE 8 HE1 PHE 8 4.564 -5.930 3.838 65 HE2 PHE 8 HE2 PHE 8 5.751 -6.620 7.908 66 HZ PHE 8 HZ PHE 8 4.736 -7.439 5.799 67 H SER 9 H SER 9 6.163 -0.977 8.795 68 HA SER 9 HA SER 9 4.520 -2.801 10.158 69 HB2 SER 9 HB2 SER 9 5.855 -0.268 11.122 70 HB3 SER 9 HB3 SER 9 5.090 -1.447 12.184 71 HG SER 9 HG SER 9 7.378 -1.762 11.866 72 H LYS 10 H LYS 10 4.065 0.702 9.622 73 HA LYS 10 HA LYS 10 1.612 0.875 11.061 74 HB2 LYS 10 HB2 LYS 10 2.815 2.644 8.923 75 HB3 LYS 10 HB3 LYS 10 1.367 3.050 9.849 76 HG2 LYS 10 HG2 LYS 10 2.617 2.981 11.933 77 HG3 LYS 10 HG3 LYS 10 4.059 2.408 11.099 78 HD2 LYS 10 HD2 LYS 10 3.913 4.561 9.702 79 HD3 LYS 10 HD3 LYS 10 2.740 5.122 10.892 80 HE2 LYS 10 HE2 LYS 10 5.569 4.220 11.511 81 HE3 LYS 10 HE3 LYS 10 5.032 5.896 11.431 82 HZ1 LYS 10 HZ1 LYS 10 5.135 4.759 13.698 83 HZ2 LYS 10 HZ2 LYS 10 3.708 3.961 13.225 84 HZ3 LYS 10 HZ3 LYS 10 3.744 5.658 13.324 85 H VAL 11 H VAL 11 2.399 0.379 7.667 86 HA VAL 11 HA VAL 11 -0.204 0.565 6.611 87 HB VAL 11 HB VAL 11 2.276 -0.888 5.652 88 HG11 VAL 11 HG11 VAL 11 1.089 -0.922 3.408 89 HG12 VAL 11 HG12 VAL 11 -0.401 -0.529 4.265 90 HG13 VAL 11 HG13 VAL 11 0.433 -2.046 4.597 91 HG21 VAL 11 HG21 VAL 11 0.952 1.558 4.470 92 HG22 VAL 11 HG22 VAL 11 2.613 1.000 4.268 93 HG23 VAL 11 HG23 VAL 11 2.097 1.694 5.803 94 H LYS 12 H LYS 12 1.680 -2.186 7.811 95 HA LYS 12 HA LYS 12 -0.284 -4.167 7.331 96 HB2 LYS 12 HB2 LYS 12 2.116 -4.663 7.855 97 HB3 LYS 12 HB3 LYS 12 1.800 -4.188 9.523 98 HG2 LYS 12 HG2 LYS 12 -0.244 -6.072 8.762 99 HG3 LYS 12 HG3 LYS 12 1.297 -6.730 8.234 100 HD2 LYS 12 HD2 LYS 12 2.198 -6.624 10.466 101 HD3 LYS 12 HD3 LYS 12 0.830 -5.677 11.036 102 HE2 LYS 12 HE2 LYS 12 -0.486 -7.513 11.314 103 HE3 LYS 12 HE3 LYS 12 0.069 -8.283 9.825 104 HZ1 LYS 12 HZ1 LYS 12 0.776 -9.515 11.786 105 HZ2 LYS 12 HZ2 LYS 12 1.586 -8.143 12.382 106 HZ3 LYS 12 HZ3 LYS 12 2.116 -8.890 10.955 107 H SER 13 H SER 13 0.291 -1.972 10.051 108 HA SER 13 HA SER 13 -1.373 -3.172 11.936 109 HB2 SER 13 HB2 SER 13 0.145 -1.336 12.482 110 HB3 SER 13 HB3 SER 13 -0.816 -0.230 11.505 111 HG SER 13 HG SER 13 -1.158 -0.855 14.033 112 H ILE 14 H ILE 14 -2.226 -0.802 9.386 113 HA ILE 14 HA ILE 14 -4.953 -0.571 10.237 114 HB ILE 14 HB ILE 14 -3.737 0.023 7.524 115 HG12 ILE 14 HG12 ILE 14 -2.580 1.323 9.253 116 HG13 ILE 14 HG13 ILE 14 -3.622 2.387 8.312 117 HG21 ILE 14 HG21 ILE 14 -6.284 -0.169 7.701 118 HG22 ILE 14 HG22 ILE 14 -5.659 1.343 7.055 119 HG23 ILE 14 HG23 ILE 14 -6.220 1.262 8.723 120 HD11 ILE 14 HD11 ILE 14 -3.998 3.046 10.560 121 HD12 ILE 14 HD12 ILE 14 -4.017 1.383 11.141 122 HD13 ILE 14 HD13 ILE 14 -5.372 2.001 10.199 123 H ILE 15 H ILE 15 -3.374 -2.334 7.566 124 HA ILE 15 HA ILE 15 -5.682 -3.515 6.514 125 HB ILE 15 HB ILE 15 -2.774 -4.371 6.418 126 HG12 ILE 15 HG12 ILE 15 -4.468 -3.030 4.290 127 HG13 ILE 15 HG13 ILE 15 -3.543 -2.105 5.470 128 HG21 ILE 15 HG21 ILE 15 -4.345 -6.271 5.879 129 HG22 ILE 15 HG22 ILE 15 -3.368 -5.767 4.502 130 HG23 ILE 15 HG23 ILE 15 -5.054 -5.265 4.614 131 HD11 ILE 15 HD11 ILE 15 -2.261 -4.243 3.757 132 HD12 ILE 15 HD12 ILE 15 -1.469 -2.958 4.669 133 HD13 ILE 15 HD13 ILE 15 -2.393 -2.568 3.219 134 H SER 16 H SER 16 -3.351 -4.831 8.852 135 HA SER 16 HA SER 16 -4.588 -7.355 9.116 136 HB2 SER 16 HB2 SER 16 -2.636 -5.882 10.873 137 HB3 SER 16 HB3 SER 16 -3.163 -7.537 11.176 138 HG SER 16 HG SER 16 -1.874 -8.163 9.653 139 H GLU 17 H GLU 17 -4.944 -4.371 10.999 140 HA GLU 17 HA GLU 17 -6.575 -5.646 13.005 141 HB2 GLU 17 HB2 GLU 17 -6.812 -3.491 14.007 142 HB3 GLU 17 HB3 GLU 17 -5.160 -3.603 13.415 143 HG2 GLU 17 HG2 GLU 17 -5.770 -1.477 12.678 144 HG3 GLU 17 HG3 GLU 17 -6.147 -2.453 11.264 145 H LYS 18 H LYS 18 -7.181 -3.960 10.009 146 HA LYS 18 HA LYS 18 -10.034 -3.725 10.466 147 HB2 LYS 18 HB2 LYS 18 -8.616 -2.059 9.175 148 HB3 LYS 18 HB3 LYS 18 -8.550 -3.255 7.882 149 HG2 LYS 18 HG2 LYS 18 -10.914 -3.195 7.568 150 HG3 LYS 18 HG3 LYS 18 -11.166 -2.320 9.078 151 HD2 LYS 18 HD2 LYS 18 -9.527 -1.143 6.824 152 HD3 LYS 18 HD3 LYS 18 -11.276 -0.949 6.893 153 HE2 LYS 18 HE2 LYS 18 -10.682 0.942 8.062 154 HE3 LYS 18 HE3 LYS 18 -10.691 -0.184 9.416 155 HZ1 LYS 18 HZ1 LYS 18 -8.454 -0.160 9.562 156 HZ2 LYS 18 HZ2 LYS 18 -8.615 1.353 8.805 157 HZ3 LYS 18 HZ3 LYS 18 -8.217 -0.022 7.889 158 H LEU 19 H LEU 19 -7.851 -5.890 8.770 159 HA LEU 19 HA LEU 19 -10.144 -7.324 7.587 160 HB2 LEU 19 HB2 LEU 19 -7.189 -7.624 7.003 161 HB3 LEU 19 HB3 LEU 19 -8.494 -8.457 6.169 162 HG LEU 19 HG LEU 19 -8.135 -5.441 6.244 163 HD11 LEU 19 HD11 LEU 19 -7.709 -7.293 3.886 164 HD12 LEU 19 HD12 LEU 19 -6.394 -6.824 4.962 165 HD13 LEU 19 HD13 LEU 19 -7.254 -5.595 4.033 166 HD21 LEU 19 HD21 LEU 19 -10.057 -7.270 4.760 167 HD22 LEU 19 HD22 LEU 19 -9.798 -5.584 4.314 168 HD23 LEU 19 HD23 LEU 19 -10.469 -5.984 5.894 169 H GLY 20 H GLY 20 -7.826 -7.569 10.127 170 HA2 GLY 20 HA2 GLY 20 -7.521 -9.186 11.752 171 HA3 GLY 20 HA3 GLY 20 -8.909 -10.042 11.080 172 H VAL 21 H VAL 21 -5.874 -9.077 9.515 173 HA VAL 21 HA VAL 21 -5.256 -11.944 9.034 174 HB VAL 21 HB VAL 21 -4.749 -9.694 7.072 175 HG11 VAL 21 HG11 VAL 21 -4.453 -12.705 6.974 176 HG12 VAL 21 HG12 VAL 21 -3.185 -11.493 6.795 177 HG13 VAL 21 HG13 VAL 21 -4.406 -11.687 5.537 178 HG21 VAL 21 HG21 VAL 21 -7.144 -10.018 7.149 179 HG22 VAL 21 HG22 VAL 21 -6.963 -11.772 7.200 180 HG23 VAL 21 HG23 VAL 21 -6.560 -10.886 5.728 181 H ASP 22 H ASP 22 -3.098 -12.569 9.136 182 HA ASP 22 HA ASP 22 -1.347 -10.699 10.516 183 HB2 ASP 22 HB2 ASP 22 -1.696 -13.006 11.373 184 HB3 ASP 22 HB3 ASP 22 -0.876 -13.616 9.935 185 H GLU 23 H GLU 23 0.771 -10.396 10.053 186 HA GLU 23 HA GLU 23 1.575 -9.312 7.747 187 HB2 GLU 23 HB2 GLU 23 2.930 -10.372 10.064 188 HB3 GLU 23 HB3 GLU 23 3.902 -10.729 8.645 189 HG2 GLU 23 HG2 GLU 23 4.221 -8.481 8.129 190 HG3 GLU 23 HG3 GLU 23 2.777 -7.969 8.993 191 H SER 24 H SER 24 1.403 -12.816 8.199 192 HA SER 24 HA SER 24 3.126 -13.661 6.183 193 HB2 SER 24 HB2 SER 24 0.532 -14.881 7.139 194 HB3 SER 24 HB3 SER 24 1.675 -15.699 6.078 195 HG SER 24 HG SER 24 1.790 -15.892 8.549 196 H GLN 25 H GLN 25 -0.275 -12.649 5.938 197 HA GLN 25 HA GLN 25 -0.462 -13.240 3.119 198 HB2 GLN 25 HB2 GLN 25 -2.195 -11.632 4.983 199 HB3 GLN 25 HB3 GLN 25 -2.560 -11.847 3.276 200 HG2 GLN 25 HG2 GLN 25 -2.104 -14.150 5.181 201 HG3 GLN 25 HG3 GLN 25 -3.702 -13.515 4.795 202 HE21 GLN 25 HE21 GLN 25 -3.749 -13.147 2.100 203 HE22 GLN 25 HE22 GLN 25 -3.340 -14.573 1.270 204 H VAL 26 H VAL 26 0.745 -10.585 4.971 205 HA VAL 26 HA VAL 26 0.468 -8.619 2.851 206 HB VAL 26 HB VAL 26 1.961 -8.519 5.495 207 HG11 VAL 26 HG11 VAL 26 2.747 -6.895 3.703 208 HG12 VAL 26 HG12 VAL 26 2.138 -6.146 5.178 209 HG13 VAL 26 HG13 VAL 26 1.128 -6.200 3.735 210 HG21 VAL 26 HG21 VAL 26 -0.775 -7.524 4.646 211 HG22 VAL 26 HG22 VAL 26 0.009 -7.070 6.158 212 HG23 VAL 26 HG23 VAL 26 -0.425 -8.754 5.861 213 H THR 27 H THR 27 1.827 -8.411 1.199 214 HA THR 27 HA THR 27 4.688 -8.956 1.559 215 HB THR 27 HB THR 27 3.333 -10.153 -0.850 216 HG1 THR 27 HG1 THR 27 2.925 -11.929 0.212 217 HG21 THR 27 HG21 THR 27 5.929 -10.757 0.587 218 HG22 THR 27 HG22 THR 27 5.779 -9.796 -0.882 219 HG23 THR 27 HG23 THR 27 5.374 -11.510 -0.909 220 H GLU 28 H GLU 28 5.986 -7.952 -0.008 221 HA GLU 28 HA GLU 28 5.044 -5.493 -0.995 222 HB2 GLU 28 HB2 GLU 28 7.467 -7.150 -1.714 223 HB3 GLU 28 HB3 GLU 28 7.174 -5.538 -2.364 224 HG2 GLU 28 HG2 GLU 28 7.109 -4.617 -0.084 225 HG3 GLU 28 HG3 GLU 28 7.370 -6.228 0.583 226 H GLU 29 H GLU 29 5.012 -8.730 -2.302 227 HA GLU 29 HA GLU 29 4.117 -7.728 -4.936 228 HB2 GLU 29 HB2 GLU 29 5.126 -10.467 -4.138 229 HB3 GLU 29 HB3 GLU 29 4.600 -10.007 -5.757 230 HG2 GLU 29 HG2 GLU 29 6.341 -8.232 -5.787 231 HG3 GLU 29 HG3 GLU 29 6.900 -8.782 -4.210 232 H ALA 30 H ALA 30 2.770 -8.750 -2.081 233 HA ALA 30 HA ALA 30 0.699 -10.460 -3.171 234 HB1 ALA 30 HB1 ALA 30 1.199 -10.993 -0.941 235 HB2 ALA 30 HB2 ALA 30 -0.285 -10.050 -0.806 236 HB3 ALA 30 HB3 ALA 30 1.272 -9.299 -0.455 237 H LYS 31 H LYS 31 -1.329 -9.888 -3.710 238 HA LYS 31 HA LYS 31 -1.893 -7.057 -4.086 239 HB2 LYS 31 HB2 LYS 31 -3.439 -9.560 -4.763 240 HB3 LYS 31 HB3 LYS 31 -3.989 -7.931 -5.140 241 HG2 LYS 31 HG2 LYS 31 -1.270 -8.868 -6.053 242 HG3 LYS 31 HG3 LYS 31 -2.712 -9.290 -6.973 243 HD2 LYS 31 HD2 LYS 31 -3.297 -6.805 -6.954 244 HD3 LYS 31 HD3 LYS 31 -1.668 -6.519 -6.346 245 HE2 LYS 31 HE2 LYS 31 -1.660 -6.291 -8.773 246 HE3 LYS 31 HE3 LYS 31 -0.762 -7.743 -8.328 247 HZ1 LYS 31 HZ1 LYS 31 -3.604 -8.150 -8.743 248 HZ2 LYS 31 HZ2 LYS 31 -2.276 -9.071 -9.276 249 HZ3 LYS 31 HZ3 LYS 31 -2.746 -7.683 -10.131 250 H LEU 32 H LEU 32 -3.196 -5.870 -2.812 251 HA LEU 32 HA LEU 32 -4.023 -6.820 -0.287 252 HB2 LEU 32 HB2 LEU 32 -4.749 -4.364 -1.877 253 HB3 LEU 32 HB3 LEU 32 -5.372 -4.659 -0.252 254 HG LEU 32 HG LEU 32 -2.397 -4.754 -0.863 255 HD11 LEU 32 HD11 LEU 32 -4.153 -2.400 -0.089 256 HD12 LEU 32 HD12 LEU 32 -3.069 -2.519 -1.475 257 HD13 LEU 32 HD13 LEU 32 -2.408 -2.416 0.155 258 HD21 LEU 32 HD21 LEU 32 -4.112 -4.516 1.626 259 HD22 LEU 32 HD22 LEU 32 -2.387 -4.147 1.633 260 HD23 LEU 32 HD23 LEU 32 -2.940 -5.770 1.231 261 H ILE 33 H ILE 33 -5.786 -6.464 -3.353 262 HA ILE 33 HA ILE 33 -8.239 -7.398 -2.089 263 HB ILE 33 HB ILE 33 -8.323 -5.539 -3.708 264 HG12 ILE 33 HG12 ILE 33 -9.783 -7.940 -4.837 265 HG13 ILE 33 HG13 ILE 33 -10.232 -7.215 -3.292 266 HG21 ILE 33 HG21 ILE 33 -7.915 -5.876 -6.050 267 HG22 ILE 33 HG22 ILE 33 -7.706 -7.613 -5.828 268 HG23 ILE 33 HG23 ILE 33 -6.499 -6.494 -5.197 269 HD11 ILE 33 HD11 ILE 33 -10.172 -5.819 -5.987 270 HD12 ILE 33 HD12 ILE 33 -10.498 -5.015 -4.452 271 HD13 ILE 33 HD13 ILE 33 -11.609 -6.246 -5.057 272 H ASP 34 H ASP 34 -6.055 -8.560 -4.674 273 HA ASP 34 HA ASP 34 -7.556 -10.995 -5.019 274 HB2 ASP 34 HB2 ASP 34 -4.843 -10.209 -6.087 275 HB3 ASP 34 HB3 ASP 34 -5.779 -11.605 -6.602 276 H ASP 35 H ASP 35 -4.584 -10.148 -3.285 277 HA ASP 35 HA ASP 35 -4.163 -12.979 -2.605 278 HB2 ASP 35 HB2 ASP 35 -2.295 -11.516 -3.483 279 HB3 ASP 35 HB3 ASP 35 -2.352 -10.680 -1.934 280 H LEU 36 H LEU 36 -5.337 -10.052 -1.172 281 HA LEU 36 HA LEU 36 -5.202 -11.330 1.497 282 HB2 LEU 36 HB2 LEU 36 -4.795 -8.553 0.591 283 HB3 LEU 36 HB3 LEU 36 -5.819 -8.701 2.015 284 HG LEU 36 HG LEU 36 -3.162 -10.140 1.829 285 HD11 LEU 36 HD11 LEU 36 -2.258 -8.198 3.183 286 HD12 LEU 36 HD12 LEU 36 -3.710 -7.301 2.737 287 HD13 LEU 36 HD13 LEU 36 -2.579 -7.826 1.490 288 HD21 LEU 36 HD21 LEU 36 -4.969 -9.215 4.082 289 HD22 LEU 36 HD22 LEU 36 -3.360 -9.893 4.334 290 HD23 LEU 36 HD23 LEU 36 -4.628 -10.879 3.606 291 H GLY 37 H GLY 37 -7.303 -10.195 -1.014 292 HA2 GLY 37 HA2 GLY 37 -9.577 -10.659 -1.220 293 HA3 GLY 37 HA3 GLY 37 -9.603 -11.188 0.456 294 H ALA 38 H ALA 38 -8.200 -8.090 -0.235 295 HA ALA 38 HA ALA 38 -10.354 -6.775 1.237 296 HB1 ALA 38 HB1 ALA 38 -8.875 -5.009 1.570 297 HB2 ALA 38 HB2 ALA 38 -7.994 -5.331 0.077 298 HB3 ALA 38 HB3 ALA 38 -7.768 -6.378 1.478 299 H ASP 39 H ASP 39 -12.074 -6.371 0.048 300 HA ASP 39 HA ASP 39 -12.176 -6.018 -2.725 301 HB2 ASP 39 HB2 ASP 39 -14.115 -6.562 -1.185 302 HB3 ASP 39 HB3 ASP 39 -14.165 -4.849 -0.772 303 H SER 40 H SER 40 -12.672 -4.114 -3.970 304 HA SER 40 HA SER 40 -10.861 -2.077 -3.774 305 HB2 SER 40 HB2 SER 40 -12.290 -0.797 -5.313 306 HB3 SER 40 HB3 SER 40 -12.189 -2.493 -5.784 307 HG SER 40 HG SER 40 -14.349 -1.580 -5.761 308 H LEU 41 H LEU 41 -14.122 -2.108 -2.335 309 HA LEU 41 HA LEU 41 -14.127 0.592 -1.462 310 HB2 LEU 41 HB2 LEU 41 -16.165 -0.821 -1.478 311 HB3 LEU 41 HB3 LEU 41 -15.473 -1.831 -0.214 312 HG LEU 41 HG LEU 41 -15.383 0.185 1.279 313 HD11 LEU 41 HD11 LEU 41 -15.338 1.996 -0.311 314 HD12 LEU 41 HD12 LEU 41 -16.860 2.127 0.571 315 HD13 LEU 41 HD13 LEU 41 -16.840 1.453 -1.059 316 HD21 LEU 41 HD21 LEU 41 -17.788 0.211 1.748 317 HD22 LEU 41 HD22 LEU 41 -17.277 -1.424 1.333 318 HD23 LEU 41 HD23 LEU 41 -18.128 -0.437 0.146 319 H ASP 42 H ASP 42 -13.176 -2.423 0.114 320 HA ASP 42 HA ASP 42 -12.283 -1.349 2.556 321 HB2 ASP 42 HB2 ASP 42 -11.474 -3.843 1.056 322 HB3 ASP 42 HB3 ASP 42 -10.887 -3.459 2.672 323 H LEU 43 H LEU 43 -10.619 -1.890 -0.515 324 HA LEU 43 HA LEU 43 -8.006 -1.281 0.257 325 HB2 LEU 43 HB2 LEU 43 -8.623 -2.336 -1.894 326 HB3 LEU 43 HB3 LEU 43 -9.370 -0.831 -2.415 327 HG LEU 43 HG LEU 43 -7.141 0.303 -2.186 328 HD11 LEU 43 HD11 LEU 43 -5.127 -1.186 -2.075 329 HD12 LEU 43 HD12 LEU 43 -6.194 -2.536 -1.691 330 HD13 LEU 43 HD13 LEU 43 -6.061 -1.173 -0.580 331 HD21 LEU 43 HD21 LEU 43 -7.127 -2.127 -4.002 332 HD22 LEU 43 HD22 LEU 43 -6.211 -0.639 -4.237 333 HD23 LEU 43 HD23 LEU 43 -7.970 -0.618 -4.352 334 H VAL 44 H VAL 44 -10.635 0.807 -0.938 335 HA VAL 44 HA VAL 44 -9.154 3.196 -1.086 336 HB VAL 44 HB VAL 44 -12.107 2.697 -0.602 337 HG11 VAL 44 HG11 VAL 44 -12.425 5.068 -1.337 338 HG12 VAL 44 HG12 VAL 44 -10.680 5.299 -1.252 339 HG13 VAL 44 HG13 VAL 44 -11.593 4.944 0.213 340 HG21 VAL 44 HG21 VAL 44 -10.968 1.970 -2.778 341 HG22 VAL 44 HG22 VAL 44 -10.709 3.683 -3.098 342 HG23 VAL 44 HG23 VAL 44 -12.349 3.053 -2.949 343 H ASP 45 H ASP 45 -11.051 1.766 1.556 344 HA ASP 45 HA ASP 45 -10.672 3.853 3.433 345 HB2 ASP 45 HB2 ASP 45 -11.248 0.904 3.774 346 HB3 ASP 45 HB3 ASP 45 -11.199 2.041 5.120 347 H LEU 46 H LEU 46 -8.771 0.925 2.716 348 HA LEU 46 HA LEU 46 -6.972 1.131 4.897 349 HB2 LEU 46 HB2 LEU 46 -6.653 -0.090 2.145 350 HB3 LEU 46 HB3 LEU 46 -5.441 -0.233 3.415 351 HG LEU 46 HG LEU 46 -8.326 -1.063 3.808 352 HD11 LEU 46 HD11 LEU 46 -5.938 -2.648 2.841 353 HD12 LEU 46 HD12 LEU 46 -7.508 -2.476 2.058 354 HD13 LEU 46 HD13 LEU 46 -7.364 -3.411 3.547 355 HD21 LEU 46 HD21 LEU 46 -7.167 -0.702 5.891 356 HD22 LEU 46 HD22 LEU 46 -5.742 -1.566 5.309 357 HD23 LEU 46 HD23 LEU 46 -7.239 -2.444 5.631 358 H VAL 47 H VAL 47 -6.620 2.221 1.495 359 HA VAL 47 HA VAL 47 -4.158 3.513 1.914 360 HB VAL 47 HB VAL 47 -4.946 2.948 -0.341 361 HG11 VAL 47 HG11 VAL 47 -6.669 4.384 -1.419 362 HG12 VAL 47 HG12 VAL 47 -6.969 5.162 0.133 363 HG13 VAL 47 HG13 VAL 47 -7.326 3.451 -0.080 364 HG21 VAL 47 HG21 VAL 47 -4.634 5.949 -0.066 365 HG22 VAL 47 HG22 VAL 47 -4.194 4.953 -1.452 366 HG23 VAL 47 HG23 VAL 47 -3.292 4.811 0.056 367 H MET 48 H MET 48 -7.512 4.643 2.244 368 HA MET 48 HA MET 48 -7.022 7.363 2.678 369 HB2 MET 48 HB2 MET 48 -9.264 6.375 2.325 370 HB3 MET 48 HB3 MET 48 -9.154 5.570 3.886 371 HG2 MET 48 HG2 MET 48 -9.036 7.734 5.021 372 HG3 MET 48 HG3 MET 48 -9.078 8.576 3.471 373 HE1 MET 48 HE1 MET 48 -12.445 8.428 2.136 374 HE2 MET 48 HE2 MET 48 -11.427 7.054 1.715 375 HE3 MET 48 HE3 MET 48 -10.703 8.647 1.920 376 H ASP 49 H ASP 49 -7.166 4.634 4.955 377 HA ASP 49 HA ASP 49 -6.765 5.963 7.352 378 HB2 ASP 49 HB2 ASP 49 -7.067 3.413 6.855 379 HB3 ASP 49 HB3 ASP 49 -5.303 3.391 6.831 380 H PHE 50 H PHE 50 -4.401 5.055 4.890 381 HA PHE 50 HA PHE 50 -2.120 6.056 6.404 382 HB2 PHE 50 HB2 PHE 50 -2.087 5.576 3.427 383 HB3 PHE 50 HB3 PHE 50 -0.755 5.473 4.565 384 HD1 PHE 50 HD1 PHE 50 -2.046 3.454 2.427 385 HD2 PHE 50 HD2 PHE 50 -2.082 3.726 6.716 386 HE1 PHE 50 HE1 PHE 50 -2.438 1.019 2.577 387 HE2 PHE 50 HE2 PHE 50 -2.475 1.287 6.857 388 HZ PHE 50 HZ PHE 50 -2.662 -0.062 4.786 389 H GLU 51 H GLU 51 -4.430 7.302 4.135 390 HA GLU 51 HA GLU 51 -3.079 9.499 3.027 391 HB2 GLU 51 HB2 GLU 51 -5.334 8.595 2.328 392 HB3 GLU 51 HB3 GLU 51 -6.018 9.378 3.748 393 HG2 GLU 51 HG2 GLU 51 -5.135 11.560 2.930 394 HG3 GLU 51 HG3 GLU 51 -4.590 10.749 1.463 395 H SER 52 H SER 52 -4.981 9.180 6.017 396 HA SER 52 HA SER 52 -4.414 11.942 6.780 397 HB2 SER 52 HB2 SER 52 -5.888 11.513 8.665 398 HB3 SER 52 HB3 SER 52 -6.654 10.950 7.181 399 HG SER 52 HG SER 52 -6.094 8.862 7.713 400 H GLU 53 H GLU 53 -3.473 8.669 7.655 401 HA GLU 53 HA GLU 53 -2.178 9.201 10.095 402 HB2 GLU 53 HB2 GLU 53 -2.633 6.908 9.243 403 HB3 GLU 53 HB3 GLU 53 -1.383 7.131 8.023 404 HG2 GLU 53 HG2 GLU 53 -0.453 5.899 9.912 405 HG3 GLU 53 HG3 GLU 53 0.290 7.493 9.826 406 H PHE 54 H PHE 54 -0.825 9.126 6.776 407 HA PHE 54 HA PHE 54 1.687 10.251 7.734 408 HB2 PHE 54 HB2 PHE 54 0.737 9.362 5.008 409 HB3 PHE 54 HB3 PHE 54 2.327 10.067 5.296 410 HD1 PHE 54 HD1 PHE 54 0.177 7.139 5.785 411 HD2 PHE 54 HD2 PHE 54 3.984 8.896 6.715 412 HE1 PHE 54 HE1 PHE 54 1.009 4.931 6.549 413 HE2 PHE 54 HE2 PHE 54 4.818 6.688 7.478 414 HZ PHE 54 HZ PHE 54 3.330 4.705 7.395 415 H GLY 55 H GLY 55 -1.232 11.650 7.001 416 HA2 GLY 55 HA2 GLY 55 -1.866 13.808 6.489 417 HA3 GLY 55 HA3 GLY 55 -0.214 14.276 6.890 418 H VAL 56 H VAL 56 -1.268 12.053 4.356 419 HA VAL 56 HA VAL 56 -0.339 13.971 2.304 420 HB VAL 56 HB VAL 56 0.666 12.074 1.056 421 HG11 VAL 56 HG11 VAL 56 1.931 13.528 2.742 422 HG12 VAL 56 HG12 VAL 56 2.670 11.982 2.328 423 HG13 VAL 56 HG13 VAL 56 1.802 12.164 3.851 424 HG21 VAL 56 HG21 VAL 56 1.108 9.966 2.458 425 HG22 VAL 56 HG22 VAL 56 -0.535 10.167 1.849 426 HG23 VAL 56 HG23 VAL 56 -0.167 10.543 3.532 427 H LYS 57 H LYS 57 -1.296 13.802 0.277 428 HA LYS 57 HA LYS 57 -3.930 12.468 0.272 429 HB2 LYS 57 HB2 LYS 57 -3.945 14.936 -0.002 430 HB3 LYS 57 HB3 LYS 57 -2.930 14.776 -1.428 431 HG2 LYS 57 HG2 LYS 57 -5.214 15.020 -2.182 432 HG3 LYS 57 HG3 LYS 57 -4.741 13.346 -2.461 433 HD2 LYS 57 HD2 LYS 57 -5.880 12.657 -0.400 434 HD3 LYS 57 HD3 LYS 57 -6.314 14.330 -0.059 435 HE2 LYS 57 HE2 LYS 57 -7.639 14.420 -2.128 436 HE3 LYS 57 HE3 LYS 57 -7.184 12.757 -2.502 437 HZ1 LYS 57 HZ1 LYS 57 -8.170 12.170 -0.276 438 HZ2 LYS 57 HZ2 LYS 57 -9.279 12.646 -1.475 439 HZ3 LYS 57 HZ3 LYS 57 -8.836 13.731 -0.244 440 H VAL 58 H VAL 58 -4.517 11.071 -1.404 441 HA VAL 58 HA VAL 58 -2.323 10.343 -3.255 442 HB VAL 58 HB VAL 58 -3.312 8.084 -3.322 443 HG11 VAL 58 HG11 VAL 58 -2.951 8.813 -0.412 444 HG12 VAL 58 HG12 VAL 58 -1.603 8.922 -1.539 445 HG13 VAL 58 HG13 VAL 58 -2.400 7.374 -1.270 446 HG21 VAL 58 HG21 VAL 58 -5.200 9.194 -1.211 447 HG22 VAL 58 HG22 VAL 58 -5.058 7.489 -1.638 448 HG23 VAL 58 HG23 VAL 58 -5.653 8.650 -2.827 449 H ASP 59 H ASP 59 -2.696 10.122 -5.348 450 HA ASP 59 HA ASP 59 -5.191 11.254 -6.393 451 HB2 ASP 59 HB2 ASP 59 -3.901 10.968 -8.667 452 HB3 ASP 59 HB3 ASP 59 -3.509 12.280 -7.587 453 H ASP 60 H ASP 60 -6.306 10.424 -8.127 454 HA ASP 60 HA ASP 60 -7.057 7.709 -7.929 455 HB2 ASP 60 HB2 ASP 60 -7.412 9.716 -10.172 456 HB3 ASP 60 HB3 ASP 60 -8.110 8.101 -10.212 457 H ALA 61 H ALA 61 -4.573 9.395 -9.701 458 HA ALA 61 HA ALA 61 -3.874 7.322 -11.550 459 HB1 ALA 61 HB1 ALA 61 -2.234 8.747 -12.216 460 HB2 ALA 61 HB2 ALA 61 -1.682 9.045 -10.569 461 HB3 ALA 61 HB3 ALA 61 -3.079 9.916 -11.201 462 H ASP 62 H ASP 62 -2.827 8.187 -8.267 463 HA ASP 62 HA ASP 62 -0.818 6.220 -7.984 464 HB2 ASP 62 HB2 ASP 62 -2.488 7.696 -5.944 465 HB3 ASP 62 HB3 ASP 62 -1.212 6.571 -5.505 466 H LEU 63 H LEU 63 -4.299 6.201 -7.255 467 HA LEU 63 HA LEU 63 -4.387 3.733 -5.923 468 HB2 LEU 63 HB2 LEU 63 -6.448 5.115 -7.654 469 HB3 LEU 63 HB3 LEU 63 -6.784 3.646 -6.742 470 HG LEU 63 HG LEU 63 -5.697 6.169 -5.459 471 HD11 LEU 63 HD11 LEU 63 -7.987 6.430 -6.562 472 HD12 LEU 63 HD12 LEU 63 -7.933 6.749 -4.829 473 HD13 LEU 63 HD13 LEU 63 -8.572 5.216 -5.426 474 HD21 LEU 63 HD21 LEU 63 -6.925 3.596 -4.417 475 HD22 LEU 63 HD22 LEU 63 -6.718 5.032 -3.414 476 HD23 LEU 63 HD23 LEU 63 -5.307 4.220 -4.095 477 H GLU 64 H GLU 64 -4.672 4.462 -9.416 478 HA GLU 64 HA GLU 64 -5.091 1.811 -10.262 479 HB2 GLU 64 HB2 GLU 64 -5.573 3.829 -11.625 480 HB3 GLU 64 HB3 GLU 64 -3.842 4.118 -11.776 481 HG2 GLU 64 HG2 GLU 64 -4.645 2.964 -13.774 482 HG3 GLU 64 HG3 GLU 64 -3.588 1.892 -12.864 483 H LYS 65 H LYS 65 -2.170 3.680 -9.642 484 HA LYS 65 HA LYS 65 -0.384 1.679 -10.761 485 HB2 LYS 65 HB2 LYS 65 0.145 4.185 -9.149 486 HB3 LYS 65 HB3 LYS 65 1.399 3.168 -9.855 487 HG2 LYS 65 HG2 LYS 65 0.469 3.557 -12.102 488 HG3 LYS 65 HG3 LYS 65 -0.809 4.554 -11.414 489 HD2 LYS 65 HD2 LYS 65 1.898 5.428 -10.585 490 HD3 LYS 65 HD3 LYS 65 1.671 5.465 -12.328 491 HE2 LYS 65 HE2 LYS 65 0.819 7.539 -11.896 492 HE3 LYS 65 HE3 LYS 65 -0.656 6.648 -11.536 493 HZ1 LYS 65 HZ1 LYS 65 -0.482 7.730 -9.579 494 HZ2 LYS 65 HZ2 LYS 65 1.191 7.996 -9.745 495 HZ3 LYS 65 HZ3 LYS 65 0.622 6.493 -9.200 496 H ILE 66 H ILE 66 -1.973 2.066 -7.780 497 HA ILE 66 HA ILE 66 0.039 0.432 -6.348 498 HB ILE 66 HB ILE 66 -2.144 2.237 -5.259 499 HG12 ILE 66 HG12 ILE 66 0.864 2.515 -4.992 500 HG13 ILE 66 HG13 ILE 66 -0.025 3.258 -6.316 501 HG21 ILE 66 HG21 ILE 66 -1.909 0.517 -3.640 502 HG22 ILE 66 HG22 ILE 66 -0.834 1.794 -3.075 503 HG23 ILE 66 HG23 ILE 66 -0.172 0.391 -3.903 504 HD11 ILE 66 HD11 ILE 66 -0.269 3.817 -3.356 505 HD12 ILE 66 HD12 ILE 66 -1.520 4.307 -4.498 506 HD13 ILE 66 HD13 ILE 66 0.114 4.951 -4.651 507 H SER 67 H SER 67 -0.410 -1.687 -6.420 508 HA SER 67 HA SER 67 -3.225 -2.542 -6.039 509 HB2 SER 67 HB2 SER 67 -2.708 -4.510 -7.412 510 HB3 SER 67 HB3 SER 67 -2.429 -3.023 -8.316 511 HG SER 67 HG SER 67 -0.223 -3.233 -7.859 512 H THR 68 H THR 68 0.177 -3.552 -5.592 513 HA THR 68 HA THR 68 -0.630 -5.396 -3.467 514 HB THR 68 HB THR 68 1.723 -6.186 -3.572 515 HG1 THR 68 HG1 THR 68 1.954 -4.338 -5.706 516 HG21 THR 68 HG21 THR 68 1.593 -7.212 -5.769 517 HG22 THR 68 HG22 THR 68 0.470 -5.970 -6.326 518 HG23 THR 68 HG23 THR 68 -0.034 -7.126 -5.093 519 H VAL 69 H VAL 69 0.794 -5.478 -1.526 520 HA VAL 69 HA VAL 69 0.739 -3.016 -0.137 521 HB VAL 69 HB VAL 69 2.318 -5.511 0.548 522 HG11 VAL 69 HG11 VAL 69 1.330 -3.346 2.411 523 HG12 VAL 69 HG12 VAL 69 2.966 -3.373 1.754 524 HG13 VAL 69 HG13 VAL 69 2.413 -4.682 2.794 525 HG21 VAL 69 HG21 VAL 69 -0.369 -4.684 1.652 526 HG22 VAL 69 HG22 VAL 69 0.419 -6.259 1.764 527 HG23 VAL 69 HG23 VAL 69 -0.232 -5.705 0.223 528 H GLY 70 H GLY 70 3.192 -4.532 -2.141 529 HA2 GLY 70 HA2 GLY 70 5.486 -3.149 -1.249 530 HA3 GLY 70 HA3 GLY 70 5.251 -3.772 -2.882 531 H ASP 71 H ASP 71 3.009 -2.324 -3.630 532 HA ASP 71 HA ASP 71 4.122 0.133 -4.481 533 HB2 ASP 71 HB2 ASP 71 1.303 -0.944 -4.506 534 HB3 ASP 71 HB3 ASP 71 1.738 0.617 -5.192 535 H ILE 72 H ILE 72 1.884 -0.754 -1.866 536 HA ILE 72 HA ILE 72 1.179 1.869 -1.032 537 HB ILE 72 HB ILE 72 1.445 -0.718 0.544 538 HG12 ILE 72 HG12 ILE 72 -0.212 -0.776 -1.321 539 HG13 ILE 72 HG13 ILE 72 -0.949 -0.963 0.261 540 HG21 ILE 72 HG21 ILE 72 -0.178 0.416 2.151 541 HG22 ILE 72 HG22 ILE 72 0.223 1.933 1.345 542 HG23 ILE 72 HG23 ILE 72 1.480 1.019 2.180 543 HD11 ILE 72 HD11 ILE 72 -2.060 0.641 -1.497 544 HD12 ILE 72 HD12 ILE 72 -0.814 1.776 -0.989 545 HD13 ILE 72 HD13 ILE 72 -1.961 1.147 0.187 546 H VAL 73 H VAL 73 3.689 -0.376 0.088 547 HA VAL 73 HA VAL 73 4.873 1.286 2.006 548 HB VAL 73 HB VAL 73 5.995 -1.010 0.385 549 HG11 VAL 73 HG11 VAL 73 7.175 0.447 2.772 550 HG12 VAL 73 HG12 VAL 73 7.921 0.196 1.194 551 HG13 VAL 73 HG13 VAL 73 7.681 -1.171 2.283 552 HG21 VAL 73 HG21 VAL 73 5.452 -2.349 2.293 553 HG22 VAL 73 HG22 VAL 73 4.028 -1.364 1.959 554 HG23 VAL 73 HG23 VAL 73 5.113 -0.925 3.277 555 H SER 74 H SER 74 5.886 0.695 -1.375 556 HA SER 74 HA SER 74 8.052 2.504 -1.358 557 HB2 SER 74 HB2 SER 74 7.972 2.319 -3.795 558 HB3 SER 74 HB3 SER 74 7.760 0.738 -3.050 559 HG SER 74 HG SER 74 6.187 0.993 -4.610 560 H TYR 75 H TYR 75 4.636 2.942 -2.032 561 HA TYR 75 HA TYR 75 4.735 5.465 -3.245 562 HB2 TYR 75 HB2 TYR 75 2.742 4.064 -3.325 563 HB3 TYR 75 HB3 TYR 75 2.556 4.187 -1.577 564 HD1 TYR 75 HD1 TYR 75 2.645 6.216 -4.715 565 HD2 TYR 75 HD2 TYR 75 1.393 6.013 -0.614 566 HE1 TYR 75 HE1 TYR 75 1.378 8.322 -4.998 567 HE2 TYR 75 HE2 TYR 75 0.121 8.117 -0.898 568 HH TYR 75 HH TYR 75 -0.110 9.961 -2.272 569 H ILE 76 H ILE 76 4.250 4.597 0.175 570 HA ILE 76 HA ILE 76 4.016 7.263 1.083 571 HB ILE 76 HB ILE 76 4.849 4.819 2.666 572 HG12 ILE 76 HG12 ILE 76 2.112 6.055 2.225 573 HG13 ILE 76 HG13 ILE 76 2.679 4.638 1.383 574 HG21 ILE 76 HG21 ILE 76 5.292 6.942 3.846 575 HG22 ILE 76 HG22 ILE 76 3.889 6.156 4.564 576 HG23 ILE 76 HG23 ILE 76 3.670 7.514 3.463 577 HD11 ILE 76 HD11 ILE 76 1.220 4.233 3.470 578 HD12 ILE 76 HD12 ILE 76 2.637 4.724 4.399 579 HD13 ILE 76 HD13 ILE 76 2.720 3.314 3.341 580 H GLU 77 H GLU 77 6.779 5.093 0.821 581 HA GLU 77 HA GLU 77 8.668 6.648 2.200 582 HB2 GLU 77 HB2 GLU 77 8.950 4.671 -0.052 583 HB3 GLU 77 HB3 GLU 77 10.337 5.402 0.754 584 HG2 GLU 77 HG2 GLU 77 9.515 4.523 2.916 585 HG3 GLU 77 HG3 GLU 77 8.155 3.774 2.081 586 H LYS 78 H LYS 78 7.662 6.745 -1.223 587 HA LYS 78 HA LYS 78 9.633 8.806 -1.829 588 HB2 LYS 78 HB2 LYS 78 7.538 7.430 -3.515 589 HB3 LYS 78 HB3 LYS 78 8.644 8.663 -4.123 590 HG2 LYS 78 HG2 LYS 78 10.569 7.272 -3.446 591 HG3 LYS 78 HG3 LYS 78 9.463 6.036 -2.846 592 HD2 LYS 78 HD2 LYS 78 8.509 5.795 -5.119 593 HD3 LYS 78 HD3 LYS 78 9.647 7.004 -5.715 594 HE2 LYS 78 HE2 LYS 78 10.437 4.389 -4.396 595 HE3 LYS 78 HE3 LYS 78 10.436 4.679 -6.135 596 HZ1 LYS 78 HZ1 LYS 78 11.935 6.638 -5.593 597 HZ2 LYS 78 HZ2 LYS 78 12.616 5.087 -5.464 598 HZ3 LYS 78 HZ3 LYS 78 12.138 5.928 -4.066 599 H LYS 79 H LYS 79 6.159 8.547 -1.321 600 HA LYS 79 HA LYS 79 5.355 11.022 -2.374 601 HB2 LYS 79 HB2 LYS 79 3.843 9.135 -1.650 602 HB3 LYS 79 HB3 LYS 79 4.126 9.631 0.016 603 HG2 LYS 79 HG2 LYS 79 2.101 10.709 -0.622 604 HG3 LYS 79 HG3 LYS 79 3.336 11.965 -0.723 605 HD2 LYS 79 HD2 LYS 79 3.506 11.695 -3.125 606 HD3 LYS 79 HD3 LYS 79 2.438 10.292 -3.087 607 HE2 LYS 79 HE2 LYS 79 0.621 11.761 -2.196 608 HE3 LYS 79 HE3 LYS 79 1.693 13.147 -2.392 609 HZ1 LYS 79 HZ1 LYS 79 0.624 11.365 -4.511 610 HZ2 LYS 79 HZ2 LYS 79 1.902 12.455 -4.777 611 HZ3 LYS 79 HZ3 LYS 79 0.370 13.034 -4.326 612 H LEU 80 H LEU 80 6.423 10.126 0.904 613 HA LEU 80 HA LEU 80 6.035 12.706 2.042 614 HB2 LEU 80 HB2 LEU 80 7.714 10.336 2.880 615 HB3 LEU 80 HB3 LEU 80 7.576 11.807 3.841 616 HG LEU 80 HG LEU 80 5.158 10.220 2.928 617 HD11 LEU 80 HD11 LEU 80 6.530 10.113 5.630 618 HD12 LEU 80 HD12 LEU 80 6.707 8.872 4.389 619 HD13 LEU 80 HD13 LEU 80 5.128 9.174 5.113 620 HD21 LEU 80 HD21 LEU 80 4.162 11.449 4.927 621 HD22 LEU 80 HD22 LEU 80 4.599 12.480 3.562 622 HD23 LEU 80 HD23 LEU 80 5.646 12.402 4.981 623 H GLY 81 H GLY 81 8.660 11.248 0.235 624 HA2 GLY 81 HA2 GLY 81 10.290 12.529 -0.926 625 HA3 GLY 81 HA3 GLY 81 10.065 13.829 0.239 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 11.717 9.742 13.014 2 H2 MET 1 HT2 MET 1 10.211 9.990 12.267 3 H3 MET 1 HT3 MET 1 11.147 11.319 12.760 4 HA MET 1 HA MET 1 11.628 11.321 10.546 5 HB2 MET 1 HB2 MET 1 13.576 9.307 11.716 6 HB3 MET 1 HB3 MET 1 13.836 10.234 10.241 7 HG2 MET 1 HG2 MET 1 13.393 11.451 12.986 8 HG3 MET 1 HG3 MET 1 14.969 11.250 12.220 9 HE1 MET 1 HE1 MET 1 15.189 13.627 9.410 10 HE2 MET 1 HE2 MET 1 14.520 12.024 9.111 11 HE3 MET 1 HE3 MET 1 15.798 12.229 10.307 12 H ALA 2 H ALA 2 11.563 10.322 8.519 13 HA ALA 2 HA ALA 2 9.775 8.150 8.232 14 HB1 ALA 2 HB1 ALA 2 11.717 9.227 6.176 15 HB2 ALA 2 HB2 ALA 2 10.140 9.935 6.526 16 HB3 ALA 2 HB3 ALA 2 10.248 8.307 5.859 17 H SER 3 H SER 3 10.092 6.012 7.720 18 HA SER 3 HA SER 3 12.684 4.922 7.176 19 HB2 SER 3 HB2 SER 3 12.745 5.206 9.677 20 HB3 SER 3 HB3 SER 3 11.380 4.095 9.779 21 HG SER 3 HG SER 3 13.892 3.556 8.562 22 H ARG 4 H ARG 4 12.490 2.890 6.183 23 HA ARG 4 HA ARG 4 10.070 2.198 5.026 24 HB2 ARG 4 HB2 ARG 4 12.302 1.460 4.230 25 HB3 ARG 4 HB3 ARG 4 12.413 0.364 5.607 26 HG2 ARG 4 HG2 ARG 4 10.548 -0.936 4.828 27 HG3 ARG 4 HG3 ARG 4 10.151 0.256 3.594 28 HD2 ARG 4 HD2 ARG 4 12.290 -0.189 2.463 29 HD3 ARG 4 HD3 ARG 4 12.709 -1.363 3.706 30 HE ARG 4 HE ARG 4 11.268 -2.883 2.702 31 HH11 ARG 4 HH11 ARG 4 10.640 0.323 1.422 32 HH12 ARG 4 HH12 ARG 4 9.590 -0.260 0.172 33 HH21 ARG 4 HH21 ARG 4 9.908 -3.594 1.061 34 HH22 ARG 4 HH22 ARG 4 9.179 -2.460 -0.029 35 H GLU 5 H GLU 5 11.542 0.996 8.013 36 HA GLU 5 HA GLU 5 9.746 -1.094 8.565 37 HB2 GLU 5 HB2 GLU 5 10.375 -0.776 10.950 38 HB3 GLU 5 HB3 GLU 5 11.778 -0.827 9.888 39 HG2 GLU 5 HG2 GLU 5 11.738 1.697 9.866 40 HG3 GLU 5 HG3 GLU 5 10.492 1.642 11.100 41 H GLU 6 H GLU 6 9.585 2.356 9.302 42 HA GLU 6 HA GLU 6 7.252 2.271 10.838 43 HB2 GLU 6 HB2 GLU 6 8.560 4.460 9.231 44 HB3 GLU 6 HB3 GLU 6 7.049 4.734 10.093 45 HG2 GLU 6 HG2 GLU 6 9.499 3.590 11.446 46 HG3 GLU 6 HG3 GLU 6 9.184 5.324 11.366 47 H ILE 7 H ILE 7 7.730 2.582 7.337 48 HA ILE 7 HA ILE 7 5.002 3.157 6.735 49 HB ILE 7 HB ILE 7 6.982 1.757 4.914 50 HG12 ILE 7 HG12 ILE 7 8.081 3.806 5.689 51 HG13 ILE 7 HG13 ILE 7 7.545 4.026 4.030 52 HG21 ILE 7 HG21 ILE 7 4.532 3.458 4.392 53 HG22 ILE 7 HG22 ILE 7 4.703 1.730 4.090 54 HG23 ILE 7 HG23 ILE 7 5.635 2.888 3.140 55 HD11 ILE 7 HD11 ILE 7 6.635 5.395 6.500 56 HD12 ILE 7 HD12 ILE 7 5.382 5.008 5.321 57 HD13 ILE 7 HD13 ILE 7 6.764 5.998 4.846 58 H PHE 8 H PHE 8 6.860 0.151 6.208 59 HA PHE 8 HA PHE 8 4.745 -1.503 5.623 60 HB2 PHE 8 HB2 PHE 8 7.114 -2.097 5.318 61 HB3 PHE 8 HB3 PHE 8 7.308 -2.232 7.062 62 HD1 PHE 8 HD1 PHE 8 5.500 -3.656 4.130 63 HD2 PHE 8 HD2 PHE 8 6.677 -4.223 8.223 64 HE1 PHE 8 HE1 PHE 8 4.723 -6.008 4.029 65 HE2 PHE 8 HE2 PHE 8 5.901 -6.575 8.120 66 HZ PHE 8 HZ PHE 8 4.924 -7.469 6.023 67 H SER 9 H SER 9 6.140 -0.935 8.905 68 HA SER 9 HA SER 9 4.499 -2.778 10.250 69 HB2 SER 9 HB2 SER 9 5.798 -0.232 11.226 70 HB3 SER 9 HB3 SER 9 5.031 -1.417 12.280 71 HG SER 9 HG SER 9 6.687 -2.694 12.022 72 H LYS 10 H LYS 10 4.035 0.714 9.717 73 HA LYS 10 HA LYS 10 1.568 0.888 11.115 74 HB2 LYS 10 HB2 LYS 10 2.840 2.654 9.019 75 HB3 LYS 10 HB3 LYS 10 1.351 3.065 9.876 76 HG2 LYS 10 HG2 LYS 10 2.517 2.903 12.029 77 HG3 LYS 10 HG3 LYS 10 4.002 2.426 11.208 78 HD2 LYS 10 HD2 LYS 10 4.045 4.599 10.031 79 HD3 LYS 10 HD3 LYS 10 2.571 5.078 10.873 80 HE2 LYS 10 HE2 LYS 10 3.711 4.849 13.039 81 HE3 LYS 10 HE3 LYS 10 5.183 4.330 12.221 82 HZ1 LYS 10 HZ1 LYS 10 5.662 6.506 12.343 83 HZ2 LYS 10 HZ2 LYS 10 4.037 6.985 12.474 84 HZ3 LYS 10 HZ3 LYS 10 4.695 6.615 10.952 85 H VAL 11 H VAL 11 2.382 0.347 7.739 86 HA VAL 11 HA VAL 11 -0.219 0.532 6.666 87 HB VAL 11 HB VAL 11 2.258 -0.939 5.724 88 HG11 VAL 11 HG11 VAL 11 -0.431 -0.611 4.357 89 HG12 VAL 11 HG12 VAL 11 0.436 -2.114 4.677 90 HG13 VAL 11 HG13 VAL 11 1.053 -0.979 3.477 91 HG21 VAL 11 HG21 VAL 11 2.629 0.934 4.349 92 HG22 VAL 11 HG22 VAL 11 2.039 1.668 5.838 93 HG23 VAL 11 HG23 VAL 11 0.954 1.477 4.465 94 H LYS 12 H LYS 12 1.649 -2.197 7.946 95 HA LYS 12 HA LYS 12 -0.291 -4.197 7.470 96 HB2 LYS 12 HB2 LYS 12 2.104 -4.649 8.100 97 HB3 LYS 12 HB3 LYS 12 1.702 -4.144 9.743 98 HG2 LYS 12 HG2 LYS 12 -0.300 -6.018 9.091 99 HG3 LYS 12 HG3 LYS 12 1.160 -6.693 8.382 100 HD2 LYS 12 HD2 LYS 12 2.255 -6.833 10.475 101 HD3 LYS 12 HD3 LYS 12 1.153 -5.687 11.227 102 HE2 LYS 12 HE2 LYS 12 -0.376 -7.299 11.728 103 HE3 LYS 12 HE3 LYS 12 -0.198 -8.112 10.171 104 HZ1 LYS 12 HZ1 LYS 12 0.581 -9.444 12.083 105 HZ2 LYS 12 HZ2 LYS 12 1.787 -8.281 12.381 106 HZ3 LYS 12 HZ3 LYS 12 1.786 -9.149 10.933 107 H SER 13 H SER 13 0.214 -1.952 10.169 108 HA SER 13 HA SER 13 -1.536 -3.104 12.013 109 HB2 SER 13 HB2 SER 13 0.003 -1.293 12.589 110 HB3 SER 13 HB3 SER 13 -0.904 -0.179 11.573 111 HG SER 13 HG SER 13 -1.356 -0.875 14.102 112 H ILE 14 H ILE 14 -2.268 -0.752 9.413 113 HA ILE 14 HA ILE 14 -5.006 -0.470 10.210 114 HB ILE 14 HB ILE 14 -3.763 0.081 7.500 115 HG12 ILE 14 HG12 ILE 14 -2.546 1.353 9.207 116 HG13 ILE 14 HG13 ILE 14 -3.566 2.447 8.278 117 HG21 ILE 14 HG21 ILE 14 -5.648 1.426 7.019 118 HG22 ILE 14 HG22 ILE 14 -6.175 1.443 8.699 119 HG23 ILE 14 HG23 ILE 14 -6.325 -0.028 7.745 120 HD11 ILE 14 HD11 ILE 14 -3.889 3.120 10.533 121 HD12 ILE 14 HD12 ILE 14 -3.962 1.458 11.113 122 HD13 ILE 14 HD13 ILE 14 -5.303 2.124 10.184 123 H ILE 15 H ILE 15 -3.415 -2.255 7.552 124 HA ILE 15 HA ILE 15 -5.741 -3.412 6.501 125 HB ILE 15 HB ILE 15 -2.850 -4.313 6.384 126 HG12 ILE 15 HG12 ILE 15 -4.524 -2.911 4.280 127 HG13 ILE 15 HG13 ILE 15 -3.565 -2.022 5.461 128 HG21 ILE 15 HG21 ILE 15 -4.212 -6.233 5.792 129 HG22 ILE 15 HG22 ILE 15 -3.624 -5.526 4.287 130 HG23 ILE 15 HG23 ILE 15 -5.283 -5.234 4.808 131 HD11 ILE 15 HD11 ILE 15 -2.459 -2.513 3.180 132 HD12 ILE 15 HD12 ILE 15 -2.339 -4.183 3.738 133 HD13 ILE 15 HD13 ILE 15 -1.522 -2.896 4.625 134 H SER 16 H SER 16 -3.364 -4.855 8.736 135 HA SER 16 HA SER 16 -4.677 -7.332 8.992 136 HB2 SER 16 HB2 SER 16 -2.672 -5.941 10.760 137 HB3 SER 16 HB3 SER 16 -3.236 -7.586 11.036 138 HG SER 16 HG SER 16 -2.587 -7.969 8.793 139 H GLU 17 H GLU 17 -4.941 -4.370 10.836 140 HA GLU 17 HA GLU 17 -6.409 -5.399 13.025 141 HB2 GLU 17 HB2 GLU 17 -5.258 -3.264 13.155 142 HB3 GLU 17 HB3 GLU 17 -6.263 -2.600 11.875 143 HG2 GLU 17 HG2 GLU 17 -8.261 -2.878 13.319 144 HG3 GLU 17 HG3 GLU 17 -7.242 -3.531 14.597 145 H LYS 18 H LYS 18 -7.436 -3.945 9.944 146 HA LYS 18 HA LYS 18 -10.223 -4.230 10.692 147 HB2 LYS 18 HB2 LYS 18 -8.893 -3.118 8.223 148 HB3 LYS 18 HB3 LYS 18 -10.643 -3.169 8.459 149 HG2 LYS 18 HG2 LYS 18 -10.413 -1.848 10.526 150 HG3 LYS 18 HG3 LYS 18 -8.664 -1.804 10.311 151 HD2 LYS 18 HD2 LYS 18 -8.941 -0.594 8.187 152 HD3 LYS 18 HD3 LYS 18 -10.695 -0.660 8.371 153 HE2 LYS 18 HE2 LYS 18 -9.869 1.520 9.128 154 HE3 LYS 18 HE3 LYS 18 -10.498 0.610 10.502 155 HZ1 LYS 18 HZ1 LYS 18 -8.432 0.289 11.363 156 HZ2 LYS 18 HZ2 LYS 18 -8.153 1.769 10.572 157 HZ3 LYS 18 HZ3 LYS 18 -7.661 0.312 9.850 158 H LEU 19 H LEU 19 -7.943 -6.179 9.051 159 HA LEU 19 HA LEU 19 -10.068 -7.682 7.637 160 HB2 LEU 19 HB2 LEU 19 -7.095 -7.464 7.283 161 HB3 LEU 19 HB3 LEU 19 -7.921 -8.900 6.726 162 HG LEU 19 HG LEU 19 -7.614 -7.197 4.958 163 HD11 LEU 19 HD11 LEU 19 -9.777 -7.463 3.995 164 HD12 LEU 19 HD12 LEU 19 -10.549 -7.533 5.579 165 HD13 LEU 19 HD13 LEU 19 -9.533 -8.866 5.034 166 HD21 LEU 19 HD21 LEU 19 -9.527 -5.534 6.622 167 HD22 LEU 19 HD22 LEU 19 -9.082 -5.179 4.956 168 HD23 LEU 19 HD23 LEU 19 -7.860 -5.124 6.223 169 H GLY 20 H GLY 20 -7.710 -7.864 10.182 170 HA2 GLY 20 HA2 GLY 20 -7.445 -9.412 11.899 171 HA3 GLY 20 HA3 GLY 20 -8.820 -10.311 11.251 172 H VAL 21 H VAL 21 -5.828 -9.280 9.679 173 HA VAL 21 HA VAL 21 -5.104 -12.126 9.196 174 HB VAL 21 HB VAL 21 -4.817 -9.851 7.209 175 HG11 VAL 21 HG11 VAL 21 -4.328 -11.770 5.640 176 HG12 VAL 21 HG12 VAL 21 -4.267 -12.828 7.050 177 HG13 VAL 21 HG13 VAL 21 -3.103 -11.514 6.881 178 HG21 VAL 21 HG21 VAL 21 -6.696 -12.231 7.049 179 HG22 VAL 21 HG22 VAL 21 -6.649 -10.826 5.982 180 HG23 VAL 21 HG23 VAL 21 -7.205 -10.650 7.648 181 H ASP 22 H ASP 22 -2.902 -12.623 9.245 182 HA ASP 22 HA ASP 22 -1.213 -10.612 10.508 183 HB2 ASP 22 HB2 ASP 22 -1.167 -13.569 10.266 184 HB3 ASP 22 HB3 ASP 22 0.394 -12.762 10.387 185 H GLU 23 H GLU 23 0.737 -9.972 9.796 186 HA GLU 23 HA GLU 23 1.031 -9.110 7.256 187 HB2 GLU 23 HB2 GLU 23 3.280 -8.546 7.703 188 HB3 GLU 23 HB3 GLU 23 2.439 -8.470 9.243 189 HG2 GLU 23 HG2 GLU 23 4.058 -10.849 8.301 190 HG3 GLU 23 HG3 GLU 23 4.672 -9.595 9.375 191 H SER 24 H SER 24 1.486 -12.452 8.125 192 HA SER 24 HA SER 24 3.354 -13.279 6.215 193 HB2 SER 24 HB2 SER 24 2.438 -14.785 7.942 194 HB3 SER 24 HB3 SER 24 0.863 -14.732 7.157 195 HG SER 24 HG SER 24 3.141 -16.120 6.493 196 H GLN 25 H GLN 25 -0.124 -12.661 5.963 197 HA GLN 25 HA GLN 25 -0.361 -13.382 3.181 198 HB2 GLN 25 HB2 GLN 25 -2.082 -11.783 5.073 199 HB3 GLN 25 HB3 GLN 25 -2.495 -12.000 3.376 200 HG2 GLN 25 HG2 GLN 25 -1.922 -14.313 5.230 201 HG3 GLN 25 HG3 GLN 25 -3.547 -13.681 4.962 202 HE21 GLN 25 HE21 GLN 25 -3.745 -13.233 2.275 203 HE22 GLN 25 HE22 GLN 25 -3.399 -14.647 1.392 204 H VAL 26 H VAL 26 0.703 -10.601 4.947 205 HA VAL 26 HA VAL 26 0.394 -8.713 2.787 206 HB VAL 26 HB VAL 26 1.838 -8.481 5.442 207 HG11 VAL 26 HG11 VAL 26 0.940 -6.247 3.611 208 HG12 VAL 26 HG12 VAL 26 2.585 -6.884 3.610 209 HG13 VAL 26 HG13 VAL 26 1.936 -6.119 5.059 210 HG21 VAL 26 HG21 VAL 26 -0.134 -7.276 6.193 211 HG22 VAL 26 HG22 VAL 26 -0.646 -8.843 5.565 212 HG23 VAL 26 HG23 VAL 26 -0.861 -7.389 4.590 213 H THR 27 H THR 27 1.776 -8.480 1.158 214 HA THR 27 HA THR 27 4.642 -8.957 1.581 215 HB THR 27 HB THR 27 3.347 -10.206 -0.837 216 HG1 THR 27 HG1 THR 27 2.434 -11.369 0.716 217 HG21 THR 27 HG21 THR 27 5.795 -9.793 -0.824 218 HG22 THR 27 HG22 THR 27 5.413 -11.512 -0.870 219 HG23 THR 27 HG23 THR 27 5.930 -10.764 0.640 220 H GLU 28 H GLU 28 5.950 -7.943 0.027 221 HA GLU 28 HA GLU 28 4.974 -5.512 -0.996 222 HB2 GLU 28 HB2 GLU 28 7.454 -7.115 -1.640 223 HB3 GLU 28 HB3 GLU 28 7.137 -5.517 -2.316 224 HG2 GLU 28 HG2 GLU 28 6.991 -4.574 -0.049 225 HG3 GLU 28 HG3 GLU 28 7.278 -6.170 0.641 226 H GLU 29 H GLU 29 5.046 -8.762 -2.274 227 HA GLU 29 HA GLU 29 4.208 -7.809 -4.941 228 HB2 GLU 29 HB2 GLU 29 5.207 -10.525 -4.062 229 HB3 GLU 29 HB3 GLU 29 4.715 -10.108 -5.702 230 HG2 GLU 29 HG2 GLU 29 6.443 -8.327 -5.742 231 HG3 GLU 29 HG3 GLU 29 6.965 -8.818 -4.133 232 H ALA 30 H ALA 30 2.805 -8.852 -2.100 233 HA ALA 30 HA ALA 30 0.739 -10.535 -3.247 234 HB1 ALA 30 HB1 ALA 30 1.267 -9.403 -0.506 235 HB2 ALA 30 HB2 ALA 30 1.204 -11.093 -1.010 236 HB3 ALA 30 HB3 ALA 30 -0.283 -10.150 -0.894 237 H LYS 31 H LYS 31 -1.359 -9.932 -3.686 238 HA LYS 31 HA LYS 31 -1.787 -7.052 -3.992 239 HB2 LYS 31 HB2 LYS 31 -3.152 -9.482 -5.122 240 HB3 LYS 31 HB3 LYS 31 -3.927 -7.904 -5.165 241 HG2 LYS 31 HG2 LYS 31 -2.806 -7.602 -7.119 242 HG3 LYS 31 HG3 LYS 31 -1.415 -7.265 -6.106 243 HD2 LYS 31 HD2 LYS 31 -0.638 -8.912 -7.618 244 HD3 LYS 31 HD3 LYS 31 -0.993 -9.815 -6.147 245 HE2 LYS 31 HE2 LYS 31 -3.330 -10.212 -7.151 246 HE3 LYS 31 HE3 LYS 31 -2.643 -9.647 -8.672 247 HZ1 LYS 31 HZ1 LYS 31 -2.591 -12.178 -7.931 248 HZ2 LYS 31 HZ2 LYS 31 -1.131 -11.671 -7.223 249 HZ3 LYS 31 HZ3 LYS 31 -1.377 -11.485 -8.893 250 H LEU 32 H LEU 32 -3.150 -5.896 -2.813 251 HA LEU 32 HA LEU 32 -4.062 -6.868 -0.342 252 HB2 LEU 32 HB2 LEU 32 -4.758 -4.410 -1.938 253 HB3 LEU 32 HB3 LEU 32 -5.427 -4.713 -0.335 254 HG LEU 32 HG LEU 32 -2.436 -4.807 -0.853 255 HD11 LEU 32 HD11 LEU 32 -2.473 -2.465 0.163 256 HD12 LEU 32 HD12 LEU 32 -4.209 -2.445 -0.145 257 HD13 LEU 32 HD13 LEU 32 -3.075 -2.571 -1.490 258 HD21 LEU 32 HD21 LEU 32 -4.229 -4.563 1.580 259 HD22 LEU 32 HD22 LEU 32 -2.506 -4.194 1.643 260 HD23 LEU 32 HD23 LEU 32 -3.046 -5.819 1.225 261 H ILE 33 H ILE 33 -5.805 -6.542 -3.438 262 HA ILE 33 HA ILE 33 -8.271 -7.406 -2.171 263 HB ILE 33 HB ILE 33 -8.299 -5.654 -3.912 264 HG12 ILE 33 HG12 ILE 33 -9.776 -8.104 -4.902 265 HG13 ILE 33 HG13 ILE 33 -10.240 -7.269 -3.419 266 HG21 ILE 33 HG21 ILE 33 -7.646 -7.891 -5.851 267 HG22 ILE 33 HG22 ILE 33 -6.469 -6.698 -5.305 268 HG23 ILE 33 HG23 ILE 33 -7.880 -6.183 -6.229 269 HD11 ILE 33 HD11 ILE 33 -10.135 -6.087 -6.211 270 HD12 ILE 33 HD12 ILE 33 -10.422 -5.142 -4.750 271 HD13 ILE 33 HD13 ILE 33 -11.578 -6.381 -5.239 272 H ASP 34 H ASP 34 -5.996 -8.775 -4.551 273 HA ASP 34 HA ASP 34 -7.533 -11.211 -4.788 274 HB2 ASP 34 HB2 ASP 34 -6.065 -10.165 -6.582 275 HB3 ASP 34 HB3 ASP 34 -4.688 -10.775 -5.672 276 H ASP 35 H ASP 35 -4.273 -10.509 -3.531 277 HA ASP 35 HA ASP 35 -3.935 -13.101 -2.400 278 HB2 ASP 35 HB2 ASP 35 -2.105 -11.618 -3.230 279 HB3 ASP 35 HB3 ASP 35 -2.344 -10.623 -1.798 280 H LEU 36 H LEU 36 -5.266 -10.114 -1.088 281 HA LEU 36 HA LEU 36 -5.275 -11.392 1.585 282 HB2 LEU 36 HB2 LEU 36 -4.921 -8.583 0.704 283 HB3 LEU 36 HB3 LEU 36 -5.863 -8.823 2.170 284 HG LEU 36 HG LEU 36 -3.177 -10.163 1.787 285 HD11 LEU 36 HD11 LEU 36 -2.300 -8.227 3.219 286 HD12 LEU 36 HD12 LEU 36 -3.776 -7.367 2.780 287 HD13 LEU 36 HD13 LEU 36 -2.631 -7.850 1.527 288 HD21 LEU 36 HD21 LEU 36 -4.611 -10.988 3.598 289 HD22 LEU 36 HD22 LEU 36 -4.820 -9.346 4.206 290 HD23 LEU 36 HD23 LEU 36 -3.236 -10.117 4.279 291 H GLY 37 H GLY 37 -7.311 -10.202 -0.983 292 HA2 GLY 37 HA2 GLY 37 -9.597 -10.707 -1.209 293 HA3 GLY 37 HA3 GLY 37 -9.636 -11.179 0.479 294 H ALA 38 H ALA 38 -8.231 -8.092 -0.295 295 HA ALA 38 HA ALA 38 -10.429 -6.752 1.099 296 HB1 ALA 38 HB1 ALA 38 -7.963 -6.315 1.594 297 HB2 ALA 38 HB2 ALA 38 -8.965 -4.890 1.320 298 HB3 ALA 38 HB3 ALA 38 -7.904 -5.479 0.042 299 H ASP 39 H ASP 39 -12.106 -6.355 -0.170 300 HA ASP 39 HA ASP 39 -12.062 -6.006 -2.951 301 HB2 ASP 39 HB2 ASP 39 -14.070 -6.561 -1.498 302 HB3 ASP 39 HB3 ASP 39 -14.164 -4.843 -1.117 303 H SER 40 H SER 40 -12.632 -4.065 -4.191 304 HA SER 40 HA SER 40 -10.825 -2.023 -3.973 305 HB2 SER 40 HB2 SER 40 -12.286 -0.701 -5.446 306 HB3 SER 40 HB3 SER 40 -12.195 -2.380 -5.971 307 HG SER 40 HG SER 40 -14.277 -2.403 -5.760 308 H LEU 41 H LEU 41 -14.042 -2.153 -2.479 309 HA LEU 41 HA LEU 41 -14.076 0.505 -1.483 310 HB2 LEU 41 HB2 LEU 41 -16.094 -0.934 -1.546 311 HB3 LEU 41 HB3 LEU 41 -15.373 -1.998 -0.343 312 HG LEU 41 HG LEU 41 -15.289 -0.056 1.248 313 HD11 LEU 41 HD11 LEU 41 -16.813 1.306 -0.992 314 HD12 LEU 41 HD12 LEU 41 -15.290 1.824 -0.270 315 HD13 LEU 41 HD13 LEU 41 -16.781 1.903 0.667 316 HD21 LEU 41 HD21 LEU 41 -17.758 -0.011 1.652 317 HD22 LEU 41 HD22 LEU 41 -17.135 -1.638 1.380 318 HD23 LEU 41 HD23 LEU 41 -17.992 -0.795 0.088 319 H ASP 42 H ASP 42 -13.023 -2.577 -0.099 320 HA ASP 42 HA ASP 42 -12.155 -1.646 2.412 321 HB2 ASP 42 HB2 ASP 42 -11.164 -3.967 0.733 322 HB3 ASP 42 HB3 ASP 42 -10.640 -3.668 2.381 323 H LEU 43 H LEU 43 -10.480 -1.918 -0.691 324 HA LEU 43 HA LEU 43 -7.900 -1.215 0.132 325 HB2 LEU 43 HB2 LEU 43 -8.451 -2.229 -2.054 326 HB3 LEU 43 HB3 LEU 43 -9.258 -0.746 -2.538 327 HG LEU 43 HG LEU 43 -7.085 0.480 -2.248 328 HD11 LEU 43 HD11 LEU 43 -6.015 -2.331 -1.836 329 HD12 LEU 43 HD12 LEU 43 -5.955 -1.002 -0.678 330 HD13 LEU 43 HD13 LEU 43 -5.007 -0.920 -2.163 331 HD21 LEU 43 HD21 LEU 43 -7.161 -1.871 -4.159 332 HD22 LEU 43 HD22 LEU 43 -6.005 -0.545 -4.280 333 HD23 LEU 43 HD23 LEU 43 -7.730 -0.230 -4.470 334 H VAL 44 H VAL 44 -10.605 0.799 -1.028 335 HA VAL 44 HA VAL 44 -9.218 3.244 -1.096 336 HB VAL 44 HB VAL 44 -12.155 2.624 -0.676 337 HG11 VAL 44 HG11 VAL 44 -11.733 4.874 0.197 338 HG12 VAL 44 HG12 VAL 44 -12.563 4.992 -1.354 339 HG13 VAL 44 HG13 VAL 44 -10.828 5.295 -1.257 340 HG21 VAL 44 HG21 VAL 44 -10.754 3.720 -3.123 341 HG22 VAL 44 HG22 VAL 44 -12.370 3.022 -3.018 342 HG23 VAL 44 HG23 VAL 44 -10.951 1.990 -2.845 343 H ASP 45 H ASP 45 -11.089 1.710 1.505 344 HA ASP 45 HA ASP 45 -10.843 3.783 3.396 345 HB2 ASP 45 HB2 ASP 45 -12.430 1.884 3.590 346 HB3 ASP 45 HB3 ASP 45 -11.070 0.810 3.918 347 H LEU 46 H LEU 46 -8.825 0.945 2.739 348 HA LEU 46 HA LEU 46 -7.024 1.244 4.901 349 HB2 LEU 46 HB2 LEU 46 -6.705 -0.030 2.177 350 HB3 LEU 46 HB3 LEU 46 -5.496 -0.149 3.454 351 HG LEU 46 HG LEU 46 -8.386 -0.953 3.869 352 HD11 LEU 46 HD11 LEU 46 -7.412 -3.322 3.660 353 HD12 LEU 46 HD12 LEU 46 -6.024 -2.564 2.880 354 HD13 LEU 46 HD13 LEU 46 -7.624 -2.426 2.155 355 HD21 LEU 46 HD21 LEU 46 -5.801 -1.462 5.367 356 HD22 LEU 46 HD22 LEU 46 -7.312 -2.302 5.716 357 HD23 LEU 46 HD23 LEU 46 -7.205 -0.558 5.934 358 H VAL 47 H VAL 47 -6.674 2.270 1.478 359 HA VAL 47 HA VAL 47 -4.193 3.518 1.830 360 HB VAL 47 HB VAL 47 -5.050 2.973 -0.395 361 HG11 VAL 47 HG11 VAL 47 -7.419 3.540 -0.011 362 HG12 VAL 47 HG12 VAL 47 -6.803 4.377 -1.426 363 HG13 VAL 47 HG13 VAL 47 -7.006 5.248 0.091 364 HG21 VAL 47 HG21 VAL 47 -3.378 4.866 0.011 365 HG22 VAL 47 HG22 VAL 47 -4.726 5.980 -0.218 366 HG23 VAL 47 HG23 VAL 47 -4.235 4.909 -1.530 367 H MET 48 H MET 48 -7.498 4.797 2.210 368 HA MET 48 HA MET 48 -6.842 7.490 2.625 369 HB2 MET 48 HB2 MET 48 -9.156 6.610 2.317 370 HB3 MET 48 HB3 MET 48 -9.075 5.901 3.927 371 HG2 MET 48 HG2 MET 48 -10.236 8.045 4.053 372 HG3 MET 48 HG3 MET 48 -8.680 8.183 4.870 373 HE1 MET 48 HE1 MET 48 -10.945 8.949 2.081 374 HE2 MET 48 HE2 MET 48 -9.751 8.309 0.953 375 HE3 MET 48 HE3 MET 48 -10.105 10.034 0.965 376 H ASP 49 H ASP 49 -7.093 4.774 4.913 377 HA ASP 49 HA ASP 49 -6.646 6.100 7.305 378 HB2 ASP 49 HB2 ASP 49 -7.033 3.567 6.873 379 HB3 ASP 49 HB3 ASP 49 -5.272 3.474 6.770 380 H PHE 50 H PHE 50 -4.293 5.083 4.865 381 HA PHE 50 HA PHE 50 -2.010 6.068 6.389 382 HB2 PHE 50 HB2 PHE 50 -1.900 5.560 3.423 383 HB3 PHE 50 HB3 PHE 50 -0.626 5.384 4.618 384 HD1 PHE 50 HD1 PHE 50 -2.179 3.478 2.421 385 HD2 PHE 50 HD2 PHE 50 -1.882 3.674 6.705 386 HE1 PHE 50 HE1 PHE 50 -2.711 1.068 2.568 387 HE2 PHE 50 HE2 PHE 50 -2.414 1.261 6.841 388 HZ PHE 50 HZ PHE 50 -2.836 -0.037 4.773 389 H GLU 51 H GLU 51 -4.235 7.284 4.005 390 HA GLU 51 HA GLU 51 -2.819 9.471 2.951 391 HB2 GLU 51 HB2 GLU 51 -5.018 8.550 2.120 392 HB3 GLU 51 HB3 GLU 51 -5.798 9.341 3.485 393 HG2 GLU 51 HG2 GLU 51 -4.912 11.524 2.715 394 HG3 GLU 51 HG3 GLU 51 -4.191 10.719 1.322 395 H SER 52 H SER 52 -4.859 9.162 5.841 396 HA SER 52 HA SER 52 -4.393 11.938 6.610 397 HB2 SER 52 HB2 SER 52 -5.934 9.705 7.945 398 HB3 SER 52 HB3 SER 52 -5.832 11.352 8.557 399 HG SER 52 HG SER 52 -7.025 10.382 6.192 400 H GLU 53 H GLU 53 -3.472 8.691 7.620 401 HA GLU 53 HA GLU 53 -2.221 9.299 10.054 402 HB2 GLU 53 HB2 GLU 53 -2.675 6.986 9.255 403 HB3 GLU 53 HB3 GLU 53 -1.381 7.159 8.071 404 HG2 GLU 53 HG2 GLU 53 0.248 7.512 9.880 405 HG3 GLU 53 HG3 GLU 53 -1.038 7.380 11.078 406 H PHE 54 H PHE 54 -0.788 9.142 6.768 407 HA PHE 54 HA PHE 54 1.727 10.216 7.753 408 HB2 PHE 54 HB2 PHE 54 0.766 9.399 5.009 409 HB3 PHE 54 HB3 PHE 54 2.358 10.093 5.299 410 HD1 PHE 54 HD1 PHE 54 0.206 7.158 5.742 411 HD2 PHE 54 HD2 PHE 54 4.018 8.895 6.694 412 HE1 PHE 54 HE1 PHE 54 1.039 4.936 6.462 413 HE2 PHE 54 HE2 PHE 54 4.851 6.672 7.413 414 HZ PHE 54 HZ PHE 54 3.362 4.692 7.297 415 H GLY 55 H GLY 55 -1.161 11.692 7.030 416 HA2 GLY 55 HA2 GLY 55 -1.750 13.876 6.588 417 HA3 GLY 55 HA3 GLY 55 -0.095 14.298 7.022 418 H VAL 56 H VAL 56 -1.125 12.177 4.397 419 HA VAL 56 HA VAL 56 -0.190 14.175 2.427 420 HB VAL 56 HB VAL 56 0.859 12.336 1.129 421 HG11 VAL 56 HG11 VAL 56 2.751 11.921 2.799 422 HG12 VAL 56 HG12 VAL 56 1.785 12.833 3.959 423 HG13 VAL 56 HG13 VAL 56 2.345 13.609 2.480 424 HG21 VAL 56 HG21 VAL 56 0.031 10.716 3.550 425 HG22 VAL 56 HG22 VAL 56 1.320 10.193 2.466 426 HG23 VAL 56 HG23 VAL 56 -0.323 10.385 1.854 427 H LYS 57 H LYS 57 -1.113 14.060 0.377 428 HA LYS 57 HA LYS 57 -3.751 12.741 0.301 429 HB2 LYS 57 HB2 LYS 57 -3.692 15.209 -0.003 430 HB3 LYS 57 HB3 LYS 57 -2.658 14.996 -1.412 431 HG2 LYS 57 HG2 LYS 57 -4.912 15.279 -2.221 432 HG3 LYS 57 HG3 LYS 57 -4.493 13.581 -2.436 433 HD2 LYS 57 HD2 LYS 57 -5.707 12.987 -0.397 434 HD3 LYS 57 HD3 LYS 57 -6.061 14.687 -0.084 435 HE2 LYS 57 HE2 LYS 57 -7.335 14.814 -2.192 436 HE3 LYS 57 HE3 LYS 57 -6.982 13.114 -2.508 437 HZ1 LYS 57 HZ1 LYS 57 -7.993 12.841 -0.128 438 HZ2 LYS 57 HZ2 LYS 57 -8.999 12.940 -1.494 439 HZ3 LYS 57 HZ3 LYS 57 -8.762 14.303 -0.508 440 H VAL 58 H VAL 58 -4.310 11.324 -1.372 441 HA VAL 58 HA VAL 58 -2.057 10.494 -3.099 442 HB VAL 58 HB VAL 58 -3.206 8.314 -3.289 443 HG11 VAL 58 HG11 VAL 58 -2.900 9.051 -0.365 444 HG12 VAL 58 HG12 VAL 58 -1.517 8.939 -1.447 445 HG13 VAL 58 HG13 VAL 58 -2.517 7.519 -1.152 446 HG21 VAL 58 HG21 VAL 58 -5.075 9.419 -1.155 447 HG22 VAL 58 HG22 VAL 58 -5.105 7.792 -1.837 448 HG23 VAL 58 HG23 VAL 58 -5.522 9.178 -2.845 449 H ASP 59 H ASP 59 -2.319 10.107 -5.196 450 HA ASP 59 HA ASP 59 -4.428 11.552 -6.580 451 HB2 ASP 59 HB2 ASP 59 -1.986 11.597 -7.255 452 HB3 ASP 59 HB3 ASP 59 -2.178 9.925 -7.746 453 H ASP 60 H ASP 60 -6.180 10.662 -7.551 454 HA ASP 60 HA ASP 60 -7.033 8.041 -7.078 455 HB2 ASP 60 HB2 ASP 60 -8.550 8.355 -9.053 456 HB3 ASP 60 HB3 ASP 60 -8.602 9.696 -7.912 457 H ALA 61 H ALA 61 -4.991 9.378 -9.547 458 HA ALA 61 HA ALA 61 -4.776 7.094 -11.243 459 HB1 ALA 61 HB1 ALA 61 -3.261 8.322 -12.441 460 HB2 ALA 61 HB2 ALA 61 -2.486 8.963 -10.997 461 HB3 ALA 61 HB3 ALA 61 -4.013 9.643 -11.545 462 H ASP 62 H ASP 62 -2.958 8.263 -8.390 463 HA ASP 62 HA ASP 62 -0.897 6.329 -8.432 464 HB2 ASP 62 HB2 ASP 62 -2.159 7.814 -6.114 465 HB3 ASP 62 HB3 ASP 62 -0.807 6.715 -5.922 466 H LEU 63 H LEU 63 -4.179 6.311 -7.074 467 HA LEU 63 HA LEU 63 -4.013 3.887 -5.663 468 HB2 LEU 63 HB2 LEU 63 -6.363 5.153 -7.098 469 HB3 LEU 63 HB3 LEU 63 -6.502 3.756 -6.035 470 HG LEU 63 HG LEU 63 -5.290 6.393 -5.159 471 HD11 LEU 63 HD11 LEU 63 -8.076 5.381 -4.534 472 HD12 LEU 63 HD12 LEU 63 -7.746 6.505 -5.852 473 HD13 LEU 63 HD13 LEU 63 -7.400 6.973 -4.188 474 HD21 LEU 63 HD21 LEU 63 -4.618 4.489 -3.776 475 HD22 LEU 63 HD22 LEU 63 -6.293 3.950 -3.654 476 HD23 LEU 63 HD23 LEU 63 -5.791 5.458 -2.888 477 H GLU 64 H GLU 64 -4.798 4.536 -9.100 478 HA GLU 64 HA GLU 64 -5.276 1.829 -9.805 479 HB2 GLU 64 HB2 GLU 64 -4.461 4.253 -11.416 480 HB3 GLU 64 HB3 GLU 64 -4.818 2.685 -12.142 481 HG2 GLU 64 HG2 GLU 64 -7.074 2.718 -11.274 482 HG3 GLU 64 HG3 GLU 64 -6.739 4.160 -10.323 483 H LYS 65 H LYS 65 -2.374 3.719 -9.387 484 HA LYS 65 HA LYS 65 -0.613 1.861 -10.776 485 HB2 LYS 65 HB2 LYS 65 0.024 4.194 -8.944 486 HB3 LYS 65 HB3 LYS 65 1.194 3.309 -9.919 487 HG2 LYS 65 HG2 LYS 65 0.256 4.106 -11.959 488 HG3 LYS 65 HG3 LYS 65 -1.199 4.680 -11.157 489 HD2 LYS 65 HD2 LYS 65 0.641 6.143 -9.789 490 HD3 LYS 65 HD3 LYS 65 1.516 5.927 -11.298 491 HE2 LYS 65 HE2 LYS 65 0.074 7.268 -12.486 492 HE3 LYS 65 HE3 LYS 65 -1.335 6.786 -11.539 493 HZ1 LYS 65 HZ1 LYS 65 -0.651 9.112 -11.118 494 HZ2 LYS 65 HZ2 LYS 65 0.846 8.543 -10.538 495 HZ3 LYS 65 HZ3 LYS 65 -0.589 8.144 -9.724 496 H ILE 66 H ILE 66 -2.085 1.969 -7.726 497 HA ILE 66 HA ILE 66 0.026 0.301 -6.478 498 HB ILE 66 HB ILE 66 -2.198 1.888 -5.159 499 HG12 ILE 66 HG12 ILE 66 0.797 2.332 -4.981 500 HG13 ILE 66 HG13 ILE 66 -0.203 3.141 -6.179 501 HG21 ILE 66 HG21 ILE 66 -1.884 0.597 -3.336 502 HG22 ILE 66 HG22 ILE 66 -0.196 1.092 -3.268 503 HG23 ILE 66 HG23 ILE 66 -0.656 -0.355 -4.159 504 HD11 ILE 66 HD11 ILE 66 -0.076 4.659 -4.348 505 HD12 ILE 66 HD12 ILE 66 -0.338 3.374 -3.168 506 HD13 ILE 66 HD13 ILE 66 -1.665 3.903 -4.204 507 H SER 67 H SER 67 -0.352 -1.823 -6.598 508 HA SER 67 HA SER 67 -3.144 -2.785 -6.322 509 HB2 SER 67 HB2 SER 67 -2.495 -4.711 -7.696 510 HB3 SER 67 HB3 SER 67 -2.221 -3.205 -8.567 511 HG SER 67 HG SER 67 -0.311 -4.123 -8.803 512 H THR 68 H THR 68 0.271 -3.626 -5.741 513 HA THR 68 HA THR 68 -0.519 -5.525 -3.672 514 HB THR 68 HB THR 68 1.856 -6.217 -3.688 515 HG1 THR 68 HG1 THR 68 3.304 -5.058 -4.682 516 HG21 THR 68 HG21 THR 68 0.506 -7.409 -5.244 517 HG22 THR 68 HG22 THR 68 1.941 -6.923 -6.148 518 HG23 THR 68 HG23 THR 68 0.430 -6.035 -6.348 519 H VAL 69 H VAL 69 0.821 -5.554 -1.668 520 HA VAL 69 HA VAL 69 0.619 -3.089 -0.287 521 HB VAL 69 HB VAL 69 2.244 -5.534 0.477 522 HG11 VAL 69 HG11 VAL 69 2.257 -4.691 2.704 523 HG12 VAL 69 HG12 VAL 69 1.087 -3.434 2.317 524 HG13 VAL 69 HG13 VAL 69 2.730 -3.333 1.691 525 HG21 VAL 69 HG21 VAL 69 -0.280 -5.816 0.040 526 HG22 VAL 69 HG22 VAL 69 -0.516 -4.798 1.458 527 HG23 VAL 69 HG23 VAL 69 0.320 -6.342 1.612 528 H GLY 70 H GLY 70 3.172 -4.571 -2.169 529 HA2 GLY 70 HA2 GLY 70 5.409 -3.135 -1.223 530 HA3 GLY 70 HA3 GLY 70 5.239 -3.788 -2.852 531 H ASP 71 H ASP 71 2.976 -2.379 -3.677 532 HA ASP 71 HA ASP 71 4.091 0.070 -4.551 533 HB2 ASP 71 HB2 ASP 71 1.275 -1.016 -4.601 534 HB3 ASP 71 HB3 ASP 71 1.726 0.520 -5.324 535 H ILE 72 H ILE 72 1.779 -0.779 -1.982 536 HA ILE 72 HA ILE 72 1.080 1.864 -1.196 537 HB ILE 72 HB ILE 72 1.170 -0.767 0.309 538 HG12 ILE 72 HG12 ILE 72 -0.469 -0.566 -1.559 539 HG13 ILE 72 HG13 ILE 72 -1.243 -0.779 0.003 540 HG21 ILE 72 HG21 ILE 72 -0.385 0.420 1.970 541 HG22 ILE 72 HG22 ILE 72 0.207 1.931 1.280 542 HG23 ILE 72 HG23 ILE 72 1.330 0.825 2.070 543 HD11 ILE 72 HD11 ILE 72 -0.948 1.852 -1.497 544 HD12 ILE 72 HD12 ILE 72 -1.659 1.684 0.104 545 HD13 ILE 72 HD13 ILE 72 -2.435 0.933 -1.287 546 H VAL 73 H VAL 73 3.534 -0.394 0.039 547 HA VAL 73 HA VAL 73 4.654 1.287 1.983 548 HB VAL 73 HB VAL 73 5.813 -1.040 0.430 549 HG11 VAL 73 HG11 VAL 73 7.455 -1.191 2.347 550 HG12 VAL 73 HG12 VAL 73 6.919 0.408 2.860 551 HG13 VAL 73 HG13 VAL 73 7.709 0.202 1.297 552 HG21 VAL 73 HG21 VAL 73 5.207 -2.344 2.351 553 HG22 VAL 73 HG22 VAL 73 3.796 -1.369 1.936 554 HG23 VAL 73 HG23 VAL 73 4.826 -0.900 3.288 555 H SER 74 H SER 74 5.766 0.643 -1.353 556 HA SER 74 HA SER 74 7.950 2.424 -1.308 557 HB2 SER 74 HB2 SER 74 7.923 2.213 -3.744 558 HB3 SER 74 HB3 SER 74 7.674 0.643 -2.987 559 HG SER 74 HG SER 74 5.405 0.997 -3.291 560 H TYR 75 H TYR 75 4.552 2.907 -2.053 561 HA TYR 75 HA TYR 75 4.722 5.416 -3.296 562 HB2 TYR 75 HB2 TYR 75 2.699 4.017 -3.350 563 HB3 TYR 75 HB3 TYR 75 2.475 4.271 -1.622 564 HD1 TYR 75 HD1 TYR 75 2.578 5.970 -4.926 565 HD2 TYR 75 HD2 TYR 75 1.497 6.287 -0.784 566 HE1 TYR 75 HE1 TYR 75 1.390 8.090 -5.400 567 HE2 TYR 75 HE2 TYR 75 0.306 8.404 -1.255 568 HH TYR 75 HH TYR 75 0.020 10.063 -2.811 569 H ILE 76 H ILE 76 4.190 4.575 0.117 570 HA ILE 76 HA ILE 76 3.987 7.244 1.026 571 HB ILE 76 HB ILE 76 4.792 4.791 2.617 572 HG12 ILE 76 HG12 ILE 76 2.063 6.046 2.170 573 HG13 ILE 76 HG13 ILE 76 2.623 4.629 1.323 574 HG21 ILE 76 HG21 ILE 76 3.837 6.139 4.506 575 HG22 ILE 76 HG22 ILE 76 3.621 7.494 3.400 576 HG23 ILE 76 HG23 ILE 76 5.242 6.923 3.784 577 HD11 ILE 76 HD11 ILE 76 2.626 4.673 4.334 578 HD12 ILE 76 HD12 ILE 76 2.611 3.284 3.250 579 HD13 ILE 76 HD13 ILE 76 1.160 4.267 3.442 580 H GLU 77 H GLU 77 6.714 5.032 0.770 581 HA GLU 77 HA GLU 77 8.635 6.542 2.150 582 HB2 GLU 77 HB2 GLU 77 8.870 4.582 -0.121 583 HB3 GLU 77 HB3 GLU 77 10.270 5.265 0.697 584 HG2 GLU 77 HG2 GLU 77 9.482 4.350 2.833 585 HG3 GLU 77 HG3 GLU 77 8.042 3.716 2.039 586 H LYS 78 H LYS 78 7.655 6.654 -1.281 587 HA LYS 78 HA LYS 78 9.668 8.673 -1.880 588 HB2 LYS 78 HB2 LYS 78 7.567 7.319 -3.574 589 HB3 LYS 78 HB3 LYS 78 8.698 8.528 -4.182 590 HG2 LYS 78 HG2 LYS 78 10.597 7.128 -3.544 591 HG3 LYS 78 HG3 LYS 78 9.513 5.941 -2.822 592 HD2 LYS 78 HD2 LYS 78 10.079 5.090 -4.988 593 HD3 LYS 78 HD3 LYS 78 8.434 5.710 -5.121 594 HE2 LYS 78 HE2 LYS 78 9.269 7.789 -6.118 595 HE3 LYS 78 HE3 LYS 78 10.932 7.236 -5.924 596 HZ1 LYS 78 HZ1 LYS 78 8.839 6.177 -7.718 597 HZ2 LYS 78 HZ2 LYS 78 10.190 5.240 -7.292 598 HZ3 LYS 78 HZ3 LYS 78 10.398 6.713 -8.111 599 H LYS 79 H LYS 79 6.175 8.486 -1.441 600 HA LYS 79 HA LYS 79 5.460 10.978 -2.516 601 HB2 LYS 79 HB2 LYS 79 3.885 9.125 -1.838 602 HB3 LYS 79 HB3 LYS 79 4.124 9.624 -0.165 603 HG2 LYS 79 HG2 LYS 79 2.145 10.745 -0.878 604 HG3 LYS 79 HG3 LYS 79 3.413 11.971 -0.938 605 HD2 LYS 79 HD2 LYS 79 3.663 11.679 -3.336 606 HD3 LYS 79 HD3 LYS 79 2.550 10.313 -3.327 607 HE2 LYS 79 HE2 LYS 79 0.748 11.837 -2.518 608 HE3 LYS 79 HE3 LYS 79 1.869 13.191 -2.662 609 HZ1 LYS 79 HZ1 LYS 79 0.879 11.430 -4.842 610 HZ2 LYS 79 HZ2 LYS 79 2.151 12.544 -5.035 611 HZ3 LYS 79 HZ3 LYS 79 0.592 13.093 -4.646 612 H LEU 80 H LEU 80 6.436 10.061 0.783 613 HA LEU 80 HA LEU 80 6.063 12.644 1.920 614 HB2 LEU 80 HB2 LEU 80 7.696 10.251 2.777 615 HB3 LEU 80 HB3 LEU 80 7.572 11.724 3.739 616 HG LEU 80 HG LEU 80 5.131 10.187 2.797 617 HD11 LEU 80 HD11 LEU 80 6.450 10.028 5.521 618 HD12 LEU 80 HD12 LEU 80 6.674 8.810 4.266 619 HD13 LEU 80 HD13 LEU 80 5.070 9.095 4.944 620 HD21 LEU 80 HD21 LEU 80 5.641 12.304 4.913 621 HD22 LEU 80 HD22 LEU 80 4.125 11.419 4.763 622 HD23 LEU 80 HD23 LEU 80 4.661 12.477 3.459 623 H GLY 81 H GLY 81 8.698 11.152 0.152 624 HA2 GLY 81 HA2 GLY 81 10.228 12.661 -1.021 625 HA3 GLY 81 HA3 GLY 81 10.255 13.656 0.431 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 11.066 9.796 12.630 2 H2 MET 1 HT2 MET 1 10.077 10.858 11.745 3 H3 MET 1 HT3 MET 1 11.423 11.453 12.593 4 HA MET 1 HA MET 1 11.874 11.328 10.219 5 HB2 MET 1 HB2 MET 1 13.652 10.936 11.986 6 HB3 MET 1 HB3 MET 1 13.412 9.207 11.741 7 HG2 MET 1 HG2 MET 1 13.998 9.432 9.373 8 HG3 MET 1 HG3 MET 1 14.173 11.176 9.563 9 HE1 MET 1 HE1 MET 1 16.172 9.506 8.251 10 HE2 MET 1 HE2 MET 1 17.754 9.709 8.998 11 HE3 MET 1 HE3 MET 1 16.773 11.125 8.631 12 H ALA 2 H ALA 2 11.434 10.324 8.354 13 HA ALA 2 HA ALA 2 9.769 8.036 8.241 14 HB1 ALA 2 HB1 ALA 2 11.332 9.565 6.169 15 HB2 ALA 2 HB2 ALA 2 9.589 9.543 6.434 16 HB3 ALA 2 HB3 ALA 2 10.395 8.131 5.750 17 H SER 3 H SER 3 10.190 5.928 7.576 18 HA SER 3 HA SER 3 12.826 5.038 6.902 19 HB2 SER 3 HB2 SER 3 12.949 5.243 9.418 20 HB3 SER 3 HB3 SER 3 11.688 4.016 9.513 21 HG SER 3 HG SER 3 14.334 3.738 9.053 22 H ARG 4 H ARG 4 12.700 3.079 5.787 23 HA ARG 4 HA ARG 4 10.284 2.249 4.724 24 HB2 ARG 4 HB2 ARG 4 12.500 1.681 3.783 25 HB3 ARG 4 HB3 ARG 4 12.782 0.579 5.129 26 HG2 ARG 4 HG2 ARG 4 10.939 -0.835 4.442 27 HG3 ARG 4 HG3 ARG 4 10.450 0.324 3.208 28 HD2 ARG 4 HD2 ARG 4 12.544 -0.028 2.002 29 HD3 ARG 4 HD3 ARG 4 13.117 -1.112 3.266 30 HE ARG 4 HE ARG 4 11.765 -2.789 2.389 31 HH11 ARG 4 HH11 ARG 4 10.835 0.288 0.985 32 HH12 ARG 4 HH12 ARG 4 9.799 -0.438 -0.198 33 HH21 ARG 4 HH21 ARG 4 10.413 -3.687 0.831 34 HH22 ARG 4 HH22 ARG 4 9.562 -2.669 -0.281 35 H GLU 5 H GLU 5 11.910 1.146 7.648 36 HA GLU 5 HA GLU 5 10.330 -1.128 8.174 37 HB2 GLU 5 HB2 GLU 5 11.091 -0.878 10.519 38 HB3 GLU 5 HB3 GLU 5 12.421 -0.741 9.374 39 HG2 GLU 5 HG2 GLU 5 12.104 1.778 9.492 40 HG3 GLU 5 HG3 GLU 5 11.016 1.511 10.840 41 H GLU 6 H GLU 6 9.915 2.279 9.162 42 HA GLU 6 HA GLU 6 7.635 1.706 10.732 43 HB2 GLU 6 HB2 GLU 6 7.349 4.046 11.029 44 HB3 GLU 6 HB3 GLU 6 9.077 3.737 11.020 45 HG2 GLU 6 HG2 GLU 6 9.388 5.130 9.268 46 HG3 GLU 6 HG3 GLU 6 8.154 4.315 8.315 47 H ILE 7 H ILE 7 8.034 2.279 7.308 48 HA ILE 7 HA ILE 7 5.302 2.997 6.802 49 HB ILE 7 HB ILE 7 7.252 1.699 4.875 50 HG12 ILE 7 HG12 ILE 7 8.289 3.750 5.720 51 HG13 ILE 7 HG13 ILE 7 7.721 4.019 4.081 52 HG21 ILE 7 HG21 ILE 7 5.849 2.778 3.157 53 HG22 ILE 7 HG22 ILE 7 4.784 3.400 4.418 54 HG23 ILE 7 HG23 ILE 7 4.908 1.662 4.146 55 HD11 ILE 7 HD11 ILE 7 5.573 4.794 5.747 56 HD12 ILE 7 HD12 ILE 7 6.644 5.835 4.809 57 HD13 ILE 7 HD13 ILE 7 7.031 5.458 6.487 58 H PHE 8 H PHE 8 7.082 -0.044 6.123 59 HA PHE 8 HA PHE 8 4.914 -1.612 5.487 60 HB2 PHE 8 HB2 PHE 8 7.264 -2.303 5.213 61 HB3 PHE 8 HB3 PHE 8 7.425 -2.464 6.959 62 HD1 PHE 8 HD1 PHE 8 5.614 -3.782 3.978 63 HD2 PHE 8 HD2 PHE 8 6.684 -4.435 8.088 64 HE1 PHE 8 HE1 PHE 8 4.739 -6.098 3.838 65 HE2 PHE 8 HE2 PHE 8 5.809 -6.751 7.947 66 HZ PHE 8 HZ PHE 8 4.837 -7.583 5.822 67 H SER 9 H SER 9 6.297 -1.131 8.766 68 HA SER 9 HA SER 9 4.577 -2.893 10.119 69 HB2 SER 9 HB2 SER 9 5.959 -0.386 11.084 70 HB3 SER 9 HB3 SER 9 5.144 -1.533 12.141 71 HG SER 9 HG SER 9 7.529 -1.766 11.665 72 H LYS 10 H LYS 10 4.235 0.619 9.535 73 HA LYS 10 HA LYS 10 1.759 0.891 10.909 74 HB2 LYS 10 HB2 LYS 10 3.092 2.568 8.780 75 HB3 LYS 10 HB3 LYS 10 1.579 3.025 9.566 76 HG2 LYS 10 HG2 LYS 10 2.665 2.999 11.756 77 HG3 LYS 10 HG3 LYS 10 4.172 2.441 11.035 78 HD2 LYS 10 HD2 LYS 10 4.292 4.521 9.694 79 HD3 LYS 10 HD3 LYS 10 2.796 5.080 10.441 80 HE2 LYS 10 HE2 LYS 10 3.868 5.027 12.657 81 HE3 LYS 10 HE3 LYS 10 5.360 4.435 11.930 82 HZ1 LYS 10 HZ1 LYS 10 5.900 6.468 11.191 83 HZ2 LYS 10 HZ2 LYS 10 4.781 7.028 12.342 84 HZ3 LYS 10 HZ3 LYS 10 4.312 6.845 10.720 85 H VAL 11 H VAL 11 2.582 0.270 7.545 86 HA VAL 11 HA VAL 11 -0.004 0.478 6.452 87 HB VAL 11 HB VAL 11 2.466 -1.038 5.565 88 HG11 VAL 11 HG11 VAL 11 -0.190 -0.670 4.139 89 HG12 VAL 11 HG12 VAL 11 0.623 -2.191 4.507 90 HG13 VAL 11 HG13 VAL 11 1.303 -1.098 3.303 91 HG21 VAL 11 HG21 VAL 11 1.191 1.409 4.326 92 HG22 VAL 11 HG22 VAL 11 2.836 0.808 4.123 93 HG23 VAL 11 HG23 VAL 11 2.347 1.541 5.649 94 H LYS 12 H LYS 12 1.822 -2.269 7.742 95 HA LYS 12 HA LYS 12 -0.158 -4.238 7.293 96 HB2 LYS 12 HB2 LYS 12 2.205 -4.775 7.834 97 HB3 LYS 12 HB3 LYS 12 1.936 -4.194 9.476 98 HG2 LYS 12 HG2 LYS 12 -0.124 -6.145 8.703 99 HG3 LYS 12 HG3 LYS 12 1.488 -6.816 8.499 100 HD2 LYS 12 HD2 LYS 12 2.032 -6.546 10.771 101 HD3 LYS 12 HD3 LYS 12 0.750 -5.371 11.038 102 HE2 LYS 12 HE2 LYS 12 -0.732 -6.993 11.572 103 HE3 LYS 12 HE3 LYS 12 -0.347 -7.945 10.134 104 HZ1 LYS 12 HZ1 LYS 12 0.211 -8.757 12.590 105 HZ2 LYS 12 HZ2 LYS 12 1.646 -7.893 12.280 106 HZ3 LYS 12 HZ3 LYS 12 1.179 -9.165 11.262 107 H SER 13 H SER 13 0.418 -1.978 9.969 108 HA SER 13 HA SER 13 -1.340 -3.088 11.840 109 HB2 SER 13 HB2 SER 13 -0.565 -0.208 11.356 110 HB3 SER 13 HB3 SER 13 -1.454 -0.767 12.770 111 HG SER 13 HG SER 13 0.699 -0.786 13.294 112 H ILE 14 H ILE 14 -2.007 -0.807 9.174 113 HA ILE 14 HA ILE 14 -4.744 -0.436 9.935 114 HB ILE 14 HB ILE 14 -3.401 0.056 7.264 115 HG12 ILE 14 HG12 ILE 14 -2.266 1.336 9.019 116 HG13 ILE 14 HG13 ILE 14 -3.224 2.426 8.027 117 HG21 ILE 14 HG21 ILE 14 -5.255 1.337 6.623 118 HG22 ILE 14 HG22 ILE 14 -5.840 1.509 8.278 119 HG23 ILE 14 HG23 ILE 14 -6.003 -0.031 7.441 120 HD11 ILE 14 HD11 ILE 14 -3.833 3.195 10.124 121 HD12 ILE 14 HD12 ILE 14 -3.603 1.623 10.886 122 HD13 ILE 14 HD13 ILE 14 -5.052 1.936 9.935 123 H ILE 15 H ILE 15 -3.162 -2.335 7.336 124 HA ILE 15 HA ILE 15 -5.490 -3.477 6.289 125 HB ILE 15 HB ILE 15 -2.624 -4.460 6.301 126 HG12 ILE 15 HG12 ILE 15 -4.221 -3.178 4.064 127 HG13 ILE 15 HG13 ILE 15 -3.283 -2.222 5.209 128 HG21 ILE 15 HG21 ILE 15 -5.037 -5.435 4.726 129 HG22 ILE 15 HG22 ILE 15 -4.025 -6.387 5.812 130 HG23 ILE 15 HG23 ILE 15 -3.370 -5.804 4.280 131 HD11 ILE 15 HD11 ILE 15 -2.083 -4.495 3.608 132 HD12 ILE 15 HD12 ILE 15 -1.228 -3.258 4.529 133 HD13 ILE 15 HD13 ILE 15 -2.079 -2.823 3.046 134 H SER 16 H SER 16 -3.247 -4.799 8.700 135 HA SER 16 HA SER 16 -4.613 -7.232 9.130 136 HB2 SER 16 HB2 SER 16 -2.276 -6.915 9.789 137 HB3 SER 16 HB3 SER 16 -2.751 -5.686 10.957 138 HG SER 16 HG SER 16 -3.783 -8.328 10.986 139 H GLU 17 H GLU 17 -4.839 -4.093 10.696 140 HA GLU 17 HA GLU 17 -6.592 -4.933 12.801 141 HB2 GLU 17 HB2 GLU 17 -5.203 -2.951 13.057 142 HB3 GLU 17 HB3 GLU 17 -5.989 -2.180 11.686 143 HG2 GLU 17 HG2 GLU 17 -8.139 -2.199 12.909 144 HG3 GLU 17 HG3 GLU 17 -7.358 -2.982 14.276 145 H LYS 18 H LYS 18 -7.082 -3.482 9.613 146 HA LYS 18 HA LYS 18 -9.922 -3.171 9.989 147 HB2 LYS 18 HB2 LYS 18 -8.210 -2.888 7.513 148 HB3 LYS 18 HB3 LYS 18 -9.895 -2.400 7.635 149 HG2 LYS 18 HG2 LYS 18 -7.882 -1.316 9.601 150 HG3 LYS 18 HG3 LYS 18 -7.985 -0.617 7.990 151 HD2 LYS 18 HD2 LYS 18 -10.403 -0.209 8.335 152 HD3 LYS 18 HD3 LYS 18 -10.263 -0.842 9.979 153 HE2 LYS 18 HE2 LYS 18 -8.727 1.535 8.883 154 HE3 LYS 18 HE3 LYS 18 -10.145 1.643 9.923 155 HZ1 LYS 18 HZ1 LYS 18 -8.951 0.471 11.649 156 HZ2 LYS 18 HZ2 LYS 18 -8.063 1.836 11.164 157 HZ3 LYS 18 HZ3 LYS 18 -7.598 0.290 10.642 158 H LEU 19 H LEU 19 -7.834 -5.567 8.553 159 HA LEU 19 HA LEU 19 -10.162 -6.972 7.404 160 HB2 LEU 19 HB2 LEU 19 -8.388 -6.365 5.815 161 HB3 LEU 19 HB3 LEU 19 -7.211 -7.241 6.782 162 HG LEU 19 HG LEU 19 -8.477 -9.332 6.391 163 HD11 LEU 19 HD11 LEU 19 -10.718 -8.534 5.988 164 HD12 LEU 19 HD12 LEU 19 -10.170 -9.289 4.492 165 HD13 LEU 19 HD13 LEU 19 -10.177 -7.532 4.640 166 HD21 LEU 19 HD21 LEU 19 -6.599 -8.503 4.898 167 HD22 LEU 19 HD22 LEU 19 -7.844 -7.953 3.776 168 HD23 LEU 19 HD23 LEU 19 -7.690 -9.670 4.152 169 H GLY 20 H GLY 20 -7.792 -7.175 9.892 170 HA2 GLY 20 HA2 GLY 20 -7.521 -8.701 11.609 171 HA3 GLY 20 HA3 GLY 20 -8.926 -9.566 10.994 172 H VAL 21 H VAL 21 -5.771 -8.785 9.516 173 HA VAL 21 HA VAL 21 -5.227 -11.695 9.252 174 HB VAL 21 HB VAL 21 -4.891 -9.672 7.024 175 HG11 VAL 21 HG11 VAL 21 -4.353 -11.698 5.676 176 HG12 VAL 21 HG12 VAL 21 -4.419 -12.667 7.146 177 HG13 VAL 21 HG13 VAL 21 -3.183 -11.422 6.966 178 HG21 VAL 21 HG21 VAL 21 -6.757 -10.717 5.957 179 HG22 VAL 21 HG22 VAL 21 -7.273 -10.472 7.623 180 HG23 VAL 21 HG23 VAL 21 -6.752 -12.068 7.091 181 H ASP 22 H ASP 22 -3.076 -12.327 9.380 182 HA ASP 22 HA ASP 22 -1.266 -10.304 10.433 183 HB2 ASP 22 HB2 ASP 22 -1.454 -13.257 10.602 184 HB3 ASP 22 HB3 ASP 22 0.160 -12.558 10.696 185 H GLU 23 H GLU 23 0.861 -10.172 9.911 186 HA GLU 23 HA GLU 23 1.629 -9.354 7.495 187 HB2 GLU 23 HB2 GLU 23 3.235 -10.736 9.627 188 HB3 GLU 23 HB3 GLU 23 4.011 -10.165 8.148 189 HG2 GLU 23 HG2 GLU 23 3.310 -7.912 8.550 190 HG3 GLU 23 HG3 GLU 23 2.255 -8.419 9.860 191 H SER 24 H SER 24 1.399 -12.795 8.298 192 HA SER 24 HA SER 24 3.039 -13.872 6.334 193 HB2 SER 24 HB2 SER 24 0.388 -14.892 7.375 194 HB3 SER 24 HB3 SER 24 1.497 -15.843 6.389 195 HG SER 24 HG SER 24 2.592 -16.207 8.133 196 H GLN 25 H GLN 25 -0.273 -12.673 6.075 197 HA GLN 25 HA GLN 25 -0.531 -13.382 3.273 198 HB2 GLN 25 HB2 GLN 25 -2.213 -11.734 5.142 199 HB3 GLN 25 HB3 GLN 25 -2.631 -12.026 3.458 200 HG2 GLN 25 HG2 GLN 25 -2.067 -14.266 5.404 201 HG3 GLN 25 HG3 GLN 25 -3.689 -13.634 5.127 202 HE21 GLN 25 HE21 GLN 25 -3.942 -13.290 2.458 203 HE22 GLN 25 HE22 GLN 25 -3.606 -14.731 1.610 204 H VAL 26 H VAL 26 0.628 -10.646 5.096 205 HA VAL 26 HA VAL 26 0.314 -8.746 2.922 206 HB VAL 26 HB VAL 26 1.763 -8.519 5.591 207 HG11 VAL 26 HG11 VAL 26 2.526 -6.928 3.751 208 HG12 VAL 26 HG12 VAL 26 1.881 -6.158 5.200 209 HG13 VAL 26 HG13 VAL 26 0.885 -6.281 3.751 210 HG21 VAL 26 HG21 VAL 26 -0.223 -7.194 6.247 211 HG22 VAL 26 HG22 VAL 26 -0.666 -8.847 5.822 212 HG23 VAL 26 HG23 VAL 26 -0.961 -7.535 4.681 213 H THR 27 H THR 27 1.700 -8.489 1.294 214 HA THR 27 HA THR 27 4.565 -8.996 1.703 215 HB THR 27 HB THR 27 3.255 -10.212 -0.723 216 HG1 THR 27 HG1 THR 27 2.643 -11.841 0.398 217 HG21 THR 27 HG21 THR 27 5.830 -10.825 0.745 218 HG22 THR 27 HG22 THR 27 5.712 -9.816 -0.694 219 HG23 THR 27 HG23 THR 27 5.306 -11.529 -0.784 220 H GLU 28 H GLU 28 5.882 -7.971 0.168 221 HA GLU 28 HA GLU 28 4.913 -5.532 -0.857 222 HB2 GLU 28 HB2 GLU 28 7.412 -7.120 -1.464 223 HB3 GLU 28 HB3 GLU 28 7.096 -5.520 -2.140 224 HG2 GLU 28 HG2 GLU 28 6.893 -4.591 0.134 225 HG3 GLU 28 HG3 GLU 28 7.197 -6.186 0.817 226 H GLU 29 H GLU 29 4.981 -8.772 -2.144 227 HA GLU 29 HA GLU 29 4.187 -7.792 -4.814 228 HB2 GLU 29 HB2 GLU 29 4.735 -10.056 -5.622 229 HB3 GLU 29 HB3 GLU 29 6.112 -9.284 -4.843 230 HG2 GLU 29 HG2 GLU 29 5.618 -10.529 -2.757 231 HG3 GLU 29 HG3 GLU 29 4.259 -11.317 -3.557 232 H ALA 30 H ALA 30 2.739 -8.854 -2.005 233 HA ALA 30 HA ALA 30 0.717 -10.558 -3.170 234 HB1 ALA 30 HB1 ALA 30 1.100 -11.060 -0.917 235 HB2 ALA 30 HB2 ALA 30 -0.375 -10.095 -0.855 236 HB3 ALA 30 HB3 ALA 30 1.179 -9.360 -0.453 237 H LYS 31 H LYS 31 -1.303 -10.008 -3.792 238 HA LYS 31 HA LYS 31 -1.851 -7.174 -4.220 239 HB2 LYS 31 HB2 LYS 31 -3.458 -9.626 -4.966 240 HB3 LYS 31 HB3 LYS 31 -3.799 -7.983 -5.490 241 HG2 LYS 31 HG2 LYS 31 -1.090 -9.195 -6.028 242 HG3 LYS 31 HG3 LYS 31 -2.448 -9.602 -7.073 243 HD2 LYS 31 HD2 LYS 31 -1.748 -6.731 -6.439 244 HD3 LYS 31 HD3 LYS 31 -0.986 -7.594 -7.774 245 HE2 LYS 31 HE2 LYS 31 -3.979 -7.220 -7.420 246 HE3 LYS 31 HE3 LYS 31 -2.965 -6.315 -8.541 247 HZ1 LYS 31 HZ1 LYS 31 -3.868 -9.086 -8.672 248 HZ2 LYS 31 HZ2 LYS 31 -2.306 -8.755 -9.255 249 HZ3 LYS 31 HZ3 LYS 31 -3.650 -7.953 -9.919 250 H LEU 32 H LEU 32 -3.175 -5.996 -2.979 251 HA LEU 32 HA LEU 32 -4.068 -6.919 -0.482 252 HB2 LEU 32 HB2 LEU 32 -4.774 -4.500 -2.134 253 HB3 LEU 32 HB3 LEU 32 -5.437 -4.763 -0.522 254 HG LEU 32 HG LEU 32 -2.446 -4.886 -1.035 255 HD11 LEU 32 HD11 LEU 32 -2.263 -2.556 -0.500 256 HD12 LEU 32 HD12 LEU 32 -3.968 -2.444 -0.064 257 HD13 LEU 32 HD13 LEU 32 -3.501 -2.658 -1.752 258 HD21 LEU 32 HD21 LEU 32 -3.078 -5.809 1.078 259 HD22 LEU 32 HD22 LEU 32 -4.246 -4.525 1.380 260 HD23 LEU 32 HD23 LEU 32 -2.518 -4.178 1.431 261 H ILE 33 H ILE 33 -5.806 -6.677 -3.577 262 HA ILE 33 HA ILE 33 -8.306 -7.427 -2.329 263 HB ILE 33 HB ILE 33 -8.244 -5.831 -4.207 264 HG12 ILE 33 HG12 ILE 33 -9.721 -8.330 -5.064 265 HG13 ILE 33 HG13 ILE 33 -10.230 -7.377 -3.670 266 HG21 ILE 33 HG21 ILE 33 -7.704 -6.517 -6.441 267 HG22 ILE 33 HG22 ILE 33 -7.594 -8.212 -5.964 268 HG23 ILE 33 HG23 ILE 33 -6.373 -7.062 -5.419 269 HD11 ILE 33 HD11 ILE 33 -11.463 -6.653 -5.657 270 HD12 ILE 33 HD12 ILE 33 -9.951 -6.369 -6.518 271 HD13 ILE 33 HD13 ILE 33 -10.379 -5.367 -5.131 272 H ASP 34 H ASP 34 -5.990 -9.057 -4.509 273 HA ASP 34 HA ASP 34 -7.615 -11.469 -4.483 274 HB2 ASP 34 HB2 ASP 34 -4.888 -10.942 -5.665 275 HB3 ASP 34 HB3 ASP 34 -5.851 -12.393 -5.928 276 H ASP 35 H ASP 35 -4.303 -10.661 -3.413 277 HA ASP 35 HA ASP 35 -3.853 -13.161 -2.159 278 HB2 ASP 35 HB2 ASP 35 -2.115 -11.496 -2.973 279 HB3 ASP 35 HB3 ASP 35 -2.414 -10.613 -1.478 280 H LEU 36 H LEU 36 -5.285 -10.155 -0.957 281 HA LEU 36 HA LEU 36 -5.360 -11.371 1.743 282 HB2 LEU 36 HB2 LEU 36 -5.065 -8.568 0.797 283 HB3 LEU 36 HB3 LEU 36 -5.924 -8.829 2.306 284 HG LEU 36 HG LEU 36 -3.230 -10.122 1.817 285 HD11 LEU 36 HD11 LEU 36 -2.318 -8.122 3.149 286 HD12 LEU 36 HD12 LEU 36 -3.816 -7.293 2.720 287 HD13 LEU 36 HD13 LEU 36 -2.707 -7.826 1.456 288 HD21 LEU 36 HD21 LEU 36 -4.580 -10.884 3.733 289 HD22 LEU 36 HD22 LEU 36 -4.732 -9.223 4.298 290 HD23 LEU 36 HD23 LEU 36 -3.156 -10.010 4.296 291 H GLY 37 H GLY 37 -7.353 -10.229 -0.895 292 HA2 GLY 37 HA2 GLY 37 -9.638 -10.733 -1.142 293 HA3 GLY 37 HA3 GLY 37 -9.699 -11.181 0.551 294 H ALA 38 H ALA 38 -8.297 -8.086 -0.250 295 HA ALA 38 HA ALA 38 -10.620 -6.765 1.001 296 HB1 ALA 38 HB1 ALA 38 -8.501 -6.195 2.013 297 HB2 ALA 38 HB2 ALA 38 -9.076 -4.786 1.122 298 HB3 ALA 38 HB3 ALA 38 -7.805 -5.801 0.442 299 H ASP 39 H ASP 39 -12.135 -6.342 -0.505 300 HA ASP 39 HA ASP 39 -11.629 -5.866 -3.235 301 HB2 ASP 39 HB2 ASP 39 -13.977 -5.264 -3.398 302 HB3 ASP 39 HB3 ASP 39 -13.788 -6.661 -2.351 303 H SER 40 H SER 40 -12.531 -3.853 -4.352 304 HA SER 40 HA SER 40 -10.810 -1.749 -4.037 305 HB2 SER 40 HB2 SER 40 -12.369 -0.413 -5.391 306 HB3 SER 40 HB3 SER 40 -12.202 -2.049 -6.023 307 HG SER 40 HG SER 40 -14.149 -2.582 -5.040 308 H LEU 41 H LEU 41 -14.018 -2.076 -2.511 309 HA LEU 41 HA LEU 41 -14.100 0.519 -1.365 310 HB2 LEU 41 HB2 LEU 41 -16.084 -0.963 -1.491 311 HB3 LEU 41 HB3 LEU 41 -15.331 -2.070 -0.350 312 HG LEU 41 HG LEU 41 -15.283 -0.214 1.341 313 HD11 LEU 41 HD11 LEU 41 -15.331 1.749 -0.060 314 HD12 LEU 41 HD12 LEU 41 -16.833 1.738 0.864 315 HD13 LEU 41 HD13 LEU 41 -16.834 1.232 -0.826 316 HD21 LEU 41 HD21 LEU 41 -17.091 -1.819 1.434 317 HD22 LEU 41 HD22 LEU 41 -17.959 -0.988 0.146 318 HD23 LEU 41 HD23 LEU 41 -17.775 -0.219 1.723 319 H ASP 42 H ASP 42 -12.993 -2.596 -0.139 320 HA ASP 42 HA ASP 42 -12.114 -1.787 2.410 321 HB2 ASP 42 HB2 ASP 42 -11.113 -3.995 0.588 322 HB3 ASP 42 HB3 ASP 42 -10.573 -3.789 2.247 323 H LEU 43 H LEU 43 -10.451 -1.921 -0.707 324 HA LEU 43 HA LEU 43 -7.881 -1.209 0.134 325 HB2 LEU 43 HB2 LEU 43 -8.416 -2.166 -2.079 326 HB3 LEU 43 HB3 LEU 43 -9.243 -0.677 -2.522 327 HG LEU 43 HG LEU 43 -7.086 0.566 -2.194 328 HD11 LEU 43 HD11 LEU 43 -5.918 -0.906 -0.665 329 HD12 LEU 43 HD12 LEU 43 -4.990 -0.838 -2.163 330 HD13 LEU 43 HD13 LEU 43 -6.000 -2.241 -1.812 331 HD21 LEU 43 HD21 LEU 43 -7.721 -0.108 -4.435 332 HD22 LEU 43 HD22 LEU 43 -7.108 -1.740 -4.162 333 HD23 LEU 43 HD23 LEU 43 -5.988 -0.380 -4.249 334 H VAL 44 H VAL 44 -10.615 0.810 -0.957 335 HA VAL 44 HA VAL 44 -9.248 3.267 -0.959 336 HB VAL 44 HB VAL 44 -12.180 2.608 -0.559 337 HG11 VAL 44 HG11 VAL 44 -11.826 4.818 0.401 338 HG12 VAL 44 HG12 VAL 44 -12.586 5.012 -1.179 339 HG13 VAL 44 HG13 VAL 44 -10.859 5.309 -0.989 340 HG21 VAL 44 HG21 VAL 44 -10.936 2.091 -2.755 341 HG22 VAL 44 HG22 VAL 44 -10.811 3.835 -2.962 342 HG23 VAL 44 HG23 VAL 44 -12.397 3.067 -2.881 343 H ASP 45 H ASP 45 -11.120 1.663 1.610 344 HA ASP 45 HA ASP 45 -10.844 3.692 3.558 345 HB2 ASP 45 HB2 ASP 45 -11.291 0.708 3.772 346 HB3 ASP 45 HB3 ASP 45 -11.284 1.771 5.172 347 H LEU 46 H LEU 46 -8.838 0.857 2.794 348 HA LEU 46 HA LEU 46 -7.044 1.106 4.981 349 HB2 LEU 46 HB2 LEU 46 -6.704 -0.129 2.237 350 HB3 LEU 46 HB3 LEU 46 -5.498 -0.249 3.515 351 HG LEU 46 HG LEU 46 -8.377 -1.111 3.881 352 HD11 LEU 46 HD11 LEU 46 -5.944 -2.669 2.982 353 HD12 LEU 46 HD12 LEU 46 -7.509 -2.546 2.177 354 HD13 LEU 46 HD13 LEU 46 -7.362 -3.448 3.686 355 HD21 LEU 46 HD21 LEU 46 -5.818 -1.452 5.457 356 HD22 LEU 46 HD22 LEU 46 -7.231 -2.471 5.731 357 HD23 LEU 46 HD23 LEU 46 -7.337 -0.732 5.992 358 H VAL 47 H VAL 47 -6.703 2.176 1.559 359 HA VAL 47 HA VAL 47 -4.252 3.491 1.966 360 HB VAL 47 HB VAL 47 -5.067 2.907 -0.289 361 HG11 VAL 47 HG11 VAL 47 -7.448 3.539 0.070 362 HG12 VAL 47 HG12 VAL 47 -6.778 4.284 -1.375 363 HG13 VAL 47 HG13 VAL 47 -6.981 5.235 0.095 364 HG21 VAL 47 HG21 VAL 47 -4.586 5.876 0.114 365 HG22 VAL 47 HG22 VAL 47 -4.374 4.997 -1.400 366 HG23 VAL 47 HG23 VAL 47 -3.336 4.640 -0.020 367 H MET 48 H MET 48 -7.606 4.597 2.292 368 HA MET 48 HA MET 48 -7.154 7.322 2.698 369 HB2 MET 48 HB2 MET 48 -9.384 6.297 2.380 370 HB3 MET 48 HB3 MET 48 -9.245 5.506 3.945 371 HG2 MET 48 HG2 MET 48 -9.239 7.622 5.091 372 HG3 MET 48 HG3 MET 48 -9.136 8.511 3.571 373 HE1 MET 48 HE1 MET 48 -12.685 9.388 4.826 374 HE2 MET 48 HE2 MET 48 -11.098 9.972 4.333 375 HE3 MET 48 HE3 MET 48 -11.269 9.075 5.840 376 H ASP 49 H ASP 49 -7.231 4.609 5.008 377 HA ASP 49 HA ASP 49 -6.796 5.994 7.376 378 HB2 ASP 49 HB2 ASP 49 -7.110 3.435 6.968 379 HB3 ASP 49 HB3 ASP 49 -5.348 3.402 6.879 380 H PHE 50 H PHE 50 -4.474 5.049 4.875 381 HA PHE 50 HA PHE 50 -2.136 6.006 6.298 382 HB2 PHE 50 HB2 PHE 50 -2.394 5.665 3.303 383 HB3 PHE 50 HB3 PHE 50 -0.918 5.687 4.248 384 HD1 PHE 50 HD1 PHE 50 -2.056 3.581 2.238 385 HD2 PHE 50 HD2 PHE 50 -1.988 3.782 6.530 386 HE1 PHE 50 HE1 PHE 50 -2.158 1.115 2.354 387 HE2 PHE 50 HE2 PHE 50 -2.091 1.310 6.634 388 HZ PHE 50 HZ PHE 50 -2.187 -0.017 4.547 389 H GLU 51 H GLU 51 -4.497 7.338 4.091 390 HA GLU 51 HA GLU 51 -3.194 9.637 3.169 391 HB2 GLU 51 HB2 GLU 51 -5.431 8.704 2.400 392 HB3 GLU 51 HB3 GLU 51 -6.143 9.454 3.825 393 HG2 GLU 51 HG2 GLU 51 -5.194 11.650 3.078 394 HG3 GLU 51 HG3 GLU 51 -4.671 10.856 1.597 395 H SER 52 H SER 52 -5.093 9.078 6.114 396 HA SER 52 HA SER 52 -4.672 11.813 7.040 397 HB2 SER 52 HB2 SER 52 -6.091 9.455 8.292 398 HB3 SER 52 HB3 SER 52 -6.006 11.063 9.006 399 HG SER 52 HG SER 52 -7.912 10.645 7.712 400 H GLU 53 H GLU 53 -3.633 8.534 7.811 401 HA GLU 53 HA GLU 53 -2.278 9.045 10.215 402 HB2 GLU 53 HB2 GLU 53 -2.732 6.763 9.343 403 HB3 GLU 53 HB3 GLU 53 -1.523 7.015 8.087 404 HG2 GLU 53 HG2 GLU 53 -0.522 5.764 9.930 405 HG3 GLU 53 HG3 GLU 53 0.202 7.365 9.848 406 H PHE 54 H PHE 54 -0.981 9.026 6.869 407 HA PHE 54 HA PHE 54 1.535 10.150 7.796 408 HB2 PHE 54 HB2 PHE 54 0.536 9.330 5.067 409 HB3 PHE 54 HB3 PHE 54 2.137 10.013 5.349 410 HD1 PHE 54 HD1 PHE 54 0.016 7.064 5.664 411 HD2 PHE 54 HD2 PHE 54 3.749 8.823 6.861 412 HE1 PHE 54 HE1 PHE 54 0.837 4.836 6.379 413 HE2 PHE 54 HE2 PHE 54 4.570 6.593 7.572 414 HZ PHE 54 HZ PHE 54 3.114 4.601 7.332 415 H GLY 55 H GLY 55 -1.402 11.552 7.142 416 HA2 GLY 55 HA2 GLY 55 -2.057 13.719 6.709 417 HA3 GLY 55 HA3 GLY 55 -0.413 14.184 7.132 418 H VAL 56 H VAL 56 -1.358 12.048 4.485 419 HA VAL 56 HA VAL 56 -0.554 14.119 2.533 420 HB VAL 56 HB VAL 56 0.602 12.358 1.213 421 HG11 VAL 56 HG11 VAL 56 2.525 12.051 2.869 422 HG12 VAL 56 HG12 VAL 56 1.511 12.892 4.040 423 HG13 VAL 56 HG13 VAL 56 2.014 13.712 2.562 424 HG21 VAL 56 HG21 VAL 56 -0.433 10.326 1.913 425 HG22 VAL 56 HG22 VAL 56 -0.133 10.671 3.614 426 HG23 VAL 56 HG23 VAL 56 1.208 10.241 2.552 427 H LYS 57 H LYS 57 -1.499 13.950 0.473 428 HA LYS 57 HA LYS 57 -4.022 12.417 0.434 429 HB2 LYS 57 HB2 LYS 57 -4.105 14.929 0.225 430 HB3 LYS 57 HB3 LYS 57 -3.285 14.758 -1.326 431 HG2 LYS 57 HG2 LYS 57 -5.088 13.419 -2.216 432 HG3 LYS 57 HG3 LYS 57 -5.867 13.328 -0.639 433 HD2 LYS 57 HD2 LYS 57 -5.368 15.967 -2.025 434 HD3 LYS 57 HD3 LYS 57 -6.833 15.030 -2.306 435 HE2 LYS 57 HE2 LYS 57 -5.877 15.980 0.416 436 HE3 LYS 57 HE3 LYS 57 -7.151 16.742 -0.530 437 HZ1 LYS 57 HZ1 LYS 57 -7.144 14.035 0.672 438 HZ2 LYS 57 HZ2 LYS 57 -8.258 14.493 -0.528 439 HZ3 LYS 57 HZ3 LYS 57 -8.226 15.308 0.962 440 H VAL 58 H VAL 58 -4.550 11.077 -1.298 441 HA VAL 58 HA VAL 58 -2.319 10.513 -3.162 442 HB VAL 58 HB VAL 58 -3.182 8.208 -3.285 443 HG11 VAL 58 HG11 VAL 58 -1.559 9.128 -1.432 444 HG12 VAL 58 HG12 VAL 58 -2.221 7.502 -1.270 445 HG13 VAL 58 HG13 VAL 58 -2.915 8.835 -0.346 446 HG21 VAL 58 HG21 VAL 58 -4.925 7.473 -1.673 447 HG22 VAL 58 HG22 VAL 58 -5.560 8.667 -2.805 448 HG23 VAL 58 HG23 VAL 58 -5.146 9.146 -1.159 449 H ASP 59 H ASP 59 -2.690 10.219 -5.268 450 HA ASP 59 HA ASP 59 -5.193 11.332 -6.314 451 HB2 ASP 59 HB2 ASP 59 -3.913 11.043 -8.590 452 HB3 ASP 59 HB3 ASP 59 -3.515 12.357 -7.516 453 H ASP 60 H ASP 60 -6.304 10.491 -8.044 454 HA ASP 60 HA ASP 60 -7.045 7.774 -7.830 455 HB2 ASP 60 HB2 ASP 60 -7.421 9.774 -10.075 456 HB3 ASP 60 HB3 ASP 60 -8.115 8.157 -10.105 457 H ALA 61 H ALA 61 -4.583 9.470 -9.630 458 HA ALA 61 HA ALA 61 -3.890 7.393 -11.477 459 HB1 ALA 61 HB1 ALA 61 -1.699 9.127 -10.508 460 HB2 ALA 61 HB2 ALA 61 -3.099 9.990 -11.142 461 HB3 ALA 61 HB3 ALA 61 -2.253 8.820 -12.154 462 H ASP 62 H ASP 62 -2.819 8.267 -8.209 463 HA ASP 62 HA ASP 62 -0.805 6.306 -7.932 464 HB2 ASP 62 HB2 ASP 62 -2.466 7.775 -5.883 465 HB3 ASP 62 HB3 ASP 62 -1.185 6.657 -5.451 466 H LEU 63 H LEU 63 -4.281 6.279 -7.180 467 HA LEU 63 HA LEU 63 -4.352 3.813 -5.841 468 HB2 LEU 63 HB2 LEU 63 -6.430 5.191 -7.553 469 HB3 LEU 63 HB3 LEU 63 -6.757 3.719 -6.641 470 HG LEU 63 HG LEU 63 -5.661 6.241 -5.365 471 HD11 LEU 63 HD11 LEU 63 -8.534 5.289 -5.307 472 HD12 LEU 63 HD12 LEU 63 -7.960 6.503 -6.446 473 HD13 LEU 63 HD13 LEU 63 -7.892 6.820 -4.713 474 HD21 LEU 63 HD21 LEU 63 -6.665 5.101 -3.312 475 HD22 LEU 63 HD22 LEU 63 -5.258 4.296 -4.005 476 HD23 LEU 63 HD23 LEU 63 -6.874 3.666 -4.316 477 H GLU 64 H GLU 64 -4.664 4.531 -9.335 478 HA GLU 64 HA GLU 64 -5.089 1.876 -10.170 479 HB2 GLU 64 HB2 GLU 64 -5.559 3.917 -11.526 480 HB3 GLU 64 HB3 GLU 64 -3.824 4.153 -11.713 481 HG2 GLU 64 HG2 GLU 64 -3.628 1.966 -12.820 482 HG3 GLU 64 HG3 GLU 64 -5.356 1.689 -12.603 483 H LYS 65 H LYS 65 -2.167 3.745 -9.562 484 HA LYS 65 HA LYS 65 -0.382 1.756 -10.694 485 HB2 LYS 65 HB2 LYS 65 0.136 4.252 -9.066 486 HB3 LYS 65 HB3 LYS 65 1.398 3.239 -9.764 487 HG2 LYS 65 HG2 LYS 65 0.477 3.627 -12.015 488 HG3 LYS 65 HG3 LYS 65 -0.801 4.624 -11.334 489 HD2 LYS 65 HD2 LYS 65 1.892 5.506 -10.483 490 HD3 LYS 65 HD3 LYS 65 1.697 5.524 -12.230 491 HE2 LYS 65 HE2 LYS 65 0.825 7.597 -11.852 492 HE3 LYS 65 HE3 LYS 65 -0.649 6.714 -11.472 493 HZ1 LYS 65 HZ1 LYS 65 -0.477 7.828 -9.535 494 HZ2 LYS 65 HZ2 LYS 65 1.192 8.107 -9.715 495 HZ3 LYS 65 HZ3 LYS 65 0.639 6.610 -9.134 496 H ILE 66 H ILE 66 -1.991 2.072 -7.723 497 HA ILE 66 HA ILE 66 0.036 0.443 -6.305 498 HB ILE 66 HB ILE 66 -2.177 2.198 -5.194 499 HG12 ILE 66 HG12 ILE 66 0.825 2.495 -4.898 500 HG13 ILE 66 HG13 ILE 66 -0.061 3.261 -6.210 501 HG21 ILE 66 HG21 ILE 66 -0.872 1.717 -3.008 502 HG22 ILE 66 HG22 ILE 66 -0.205 0.331 -3.867 503 HG23 ILE 66 HG23 ILE 66 -1.943 0.449 -3.607 504 HD11 ILE 66 HD11 ILE 66 -1.465 4.462 -4.584 505 HD12 ILE 66 HD12 ILE 66 0.239 4.799 -4.282 506 HD13 ILE 66 HD13 ILE 66 -0.630 3.659 -3.255 507 H SER 67 H SER 67 -0.376 -1.674 -6.457 508 HA SER 67 HA SER 67 -3.178 -2.592 -6.145 509 HB2 SER 67 HB2 SER 67 -0.928 -3.802 -7.761 510 HB3 SER 67 HB3 SER 67 -2.477 -4.588 -7.473 511 HG SER 67 HG SER 67 -1.901 -2.875 -9.355 512 H THR 68 H THR 68 0.222 -3.594 -5.633 513 HA THR 68 HA THR 68 -0.636 -5.462 -3.542 514 HB THR 68 HB THR 68 1.723 -6.249 -3.606 515 HG1 THR 68 HG1 THR 68 2.816 -4.440 -4.167 516 HG21 THR 68 HG21 THR 68 1.662 -7.181 -5.884 517 HG22 THR 68 HG22 THR 68 0.439 -5.997 -6.345 518 HG23 THR 68 HG23 THR 68 0.060 -7.235 -5.147 519 H VAL 69 H VAL 69 0.738 -5.547 -1.547 520 HA VAL 69 HA VAL 69 0.644 -3.074 -0.175 521 HB VAL 69 HB VAL 69 2.206 -5.554 0.586 522 HG11 VAL 69 HG11 VAL 69 3.003 -3.755 1.927 523 HG12 VAL 69 HG12 VAL 69 1.817 -4.593 2.924 524 HG13 VAL 69 HG13 VAL 69 1.382 -3.087 2.120 525 HG21 VAL 69 HG21 VAL 69 -0.336 -5.757 0.184 526 HG22 VAL 69 HG22 VAL 69 -0.513 -4.725 1.604 527 HG23 VAL 69 HG23 VAL 69 0.275 -6.296 1.748 528 H GLY 70 H GLY 70 3.129 -4.576 -2.123 529 HA2 GLY 70 HA2 GLY 70 5.411 -3.205 -1.177 530 HA3 GLY 70 HA3 GLY 70 5.205 -3.814 -2.820 531 H ASP 71 H ASP 71 2.969 -2.365 -3.590 532 HA ASP 71 HA ASP 71 4.088 0.106 -4.400 533 HB2 ASP 71 HB2 ASP 71 1.275 -0.982 -4.489 534 HB3 ASP 71 HB3 ASP 71 1.719 0.588 -5.148 535 H ILE 72 H ILE 72 1.813 -0.818 -1.827 536 HA ILE 72 HA ILE 72 1.068 1.792 -0.988 537 HB ILE 72 HB ILE 72 1.358 -0.797 0.581 538 HG12 ILE 72 HG12 ILE 72 -0.291 -0.866 -1.291 539 HG13 ILE 72 HG13 ILE 72 -1.032 -1.074 0.288 540 HG21 ILE 72 HG21 ILE 72 -0.189 0.250 2.242 541 HG22 ILE 72 HG22 ILE 72 -0.011 1.784 1.392 542 HG23 ILE 72 HG23 ILE 72 1.387 1.039 2.166 543 HD11 ILE 72 HD11 ILE 72 -2.086 1.009 0.216 544 HD12 ILE 72 HD12 ILE 72 -2.139 0.536 -1.479 545 HD13 ILE 72 HD13 ILE 72 -0.926 1.681 -0.922 546 H VAL 73 H VAL 73 3.595 -0.427 0.144 547 HA VAL 73 HA VAL 73 4.762 1.242 2.062 548 HB VAL 73 HB VAL 73 5.903 -1.046 0.445 549 HG11 VAL 73 HG11 VAL 73 7.819 0.184 1.255 550 HG12 VAL 73 HG12 VAL 73 7.595 -1.194 2.333 551 HG13 VAL 73 HG13 VAL 73 7.073 0.413 2.837 552 HG21 VAL 73 HG21 VAL 73 5.380 -2.383 2.365 553 HG22 VAL 73 HG22 VAL 73 3.943 -1.423 2.012 554 HG23 VAL 73 HG23 VAL 73 5.011 -0.957 3.336 555 H SER 74 H SER 74 5.764 0.660 -1.309 556 HA SER 74 HA SER 74 7.939 2.439 -1.342 557 HB2 SER 74 HB2 SER 74 6.158 1.471 -3.583 558 HB3 SER 74 HB3 SER 74 7.651 2.373 -3.827 559 HG SER 74 HG SER 74 8.734 0.703 -2.692 560 H TYR 75 H TYR 75 4.521 2.929 -2.000 561 HA TYR 75 HA TYR 75 4.638 5.474 -3.144 562 HB2 TYR 75 HB2 TYR 75 2.628 4.075 -3.210 563 HB3 TYR 75 HB3 TYR 75 2.450 4.229 -1.465 564 HD1 TYR 75 HD1 TYR 75 2.584 6.215 -4.627 565 HD2 TYR 75 HD2 TYR 75 1.320 6.088 -0.525 566 HE1 TYR 75 HE1 TYR 75 1.371 8.351 -4.933 567 HE2 TYR 75 HE2 TYR 75 0.100 8.221 -0.835 568 HH TYR 75 HH TYR 75 -0.760 9.452 -3.665 569 H ILE 76 H ILE 76 4.208 4.546 0.271 570 HA ILE 76 HA ILE 76 3.988 7.193 1.233 571 HB ILE 76 HB ILE 76 4.892 4.732 2.751 572 HG12 ILE 76 HG12 ILE 76 2.128 5.940 2.412 573 HG13 ILE 76 HG13 ILE 76 2.687 4.547 1.527 574 HG21 ILE 76 HG21 ILE 76 5.274 7.033 3.809 575 HG22 ILE 76 HG22 ILE 76 4.207 5.970 4.723 576 HG23 ILE 76 HG23 ILE 76 3.528 7.265 3.743 577 HD11 ILE 76 HD11 ILE 76 2.749 3.168 3.424 578 HD12 ILE 76 HD12 ILE 76 1.297 4.133 3.691 579 HD13 ILE 76 HD13 ILE 76 2.791 4.537 4.536 580 H GLU 77 H GLU 77 6.755 5.045 0.856 581 HA GLU 77 HA GLU 77 8.678 6.590 2.200 582 HB2 GLU 77 HB2 GLU 77 8.901 4.645 -0.086 583 HB3 GLU 77 HB3 GLU 77 10.308 5.363 0.695 584 HG2 GLU 77 HG2 GLU 77 9.549 4.450 2.863 585 HG3 GLU 77 HG3 GLU 77 8.159 3.719 2.059 586 H LYS 78 H LYS 78 7.593 6.716 -1.192 587 HA LYS 78 HA LYS 78 9.550 8.768 -1.850 588 HB2 LYS 78 HB2 LYS 78 8.975 6.960 -3.452 589 HB3 LYS 78 HB3 LYS 78 7.327 7.580 -3.531 590 HG2 LYS 78 HG2 LYS 78 8.163 9.733 -4.390 591 HG3 LYS 78 HG3 LYS 78 9.820 9.140 -4.287 592 HD2 LYS 78 HD2 LYS 78 9.281 7.342 -5.889 593 HD3 LYS 78 HD3 LYS 78 7.624 7.938 -5.998 594 HE2 LYS 78 HE2 LYS 78 8.447 10.098 -6.850 595 HE3 LYS 78 HE3 LYS 78 10.109 9.515 -6.734 596 HZ1 LYS 78 HZ1 LYS 78 9.813 8.050 -8.459 597 HZ2 LYS 78 HZ2 LYS 78 8.837 9.344 -8.968 598 HZ3 LYS 78 HZ3 LYS 78 8.131 7.968 -8.264 599 H LYS 79 H LYS 79 6.058 8.510 -1.377 600 HA LYS 79 HA LYS 79 5.275 11.030 -2.305 601 HB2 LYS 79 HB2 LYS 79 3.762 9.112 -1.697 602 HB3 LYS 79 HB3 LYS 79 4.024 9.516 -0.003 603 HG2 LYS 79 HG2 LYS 79 1.995 10.612 -0.612 604 HG3 LYS 79 HG3 LYS 79 3.221 11.879 -0.606 605 HD2 LYS 79 HD2 LYS 79 3.425 11.799 -3.009 606 HD3 LYS 79 HD3 LYS 79 2.416 10.356 -3.101 607 HE2 LYS 79 HE2 LYS 79 0.513 11.671 -2.165 608 HE3 LYS 79 HE3 LYS 79 1.528 13.113 -2.205 609 HZ1 LYS 79 HZ1 LYS 79 0.583 11.483 -4.494 610 HZ2 LYS 79 HZ2 LYS 79 1.845 12.614 -4.637 611 HZ3 LYS 79 HZ3 LYS 79 0.290 13.128 -4.188 612 H LEU 80 H LEU 80 6.277 10.010 0.969 613 HA LEU 80 HA LEU 80 5.878 12.554 2.179 614 HB2 LEU 80 HB2 LEU 80 7.529 10.152 2.976 615 HB3 LEU 80 HB3 LEU 80 7.381 11.593 3.980 616 HG LEU 80 HG LEU 80 4.970 10.052 2.974 617 HD11 LEU 80 HD11 LEU 80 6.245 9.844 5.713 618 HD12 LEU 80 HD12 LEU 80 6.531 8.672 4.430 619 HD13 LEU 80 HD13 LEU 80 4.906 8.891 5.077 620 HD21 LEU 80 HD21 LEU 80 4.442 12.306 3.684 621 HD22 LEU 80 HD22 LEU 80 5.432 12.136 5.133 622 HD23 LEU 80 HD23 LEU 80 3.935 11.217 4.976 623 H GLY 81 H GLY 81 8.531 11.137 0.384 624 HA2 GLY 81 HA2 GLY 81 10.560 12.970 1.222 625 HA3 GLY 81 HA3 GLY 81 10.622 11.922 -0.192 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 9.356 10.405 12.602 2 H2 MET 1 HT2 MET 1 8.813 9.522 11.257 3 H3 MET 1 HT3 MET 1 9.901 10.809 11.048 4 HA MET 1 HA MET 1 11.509 9.528 12.474 5 HB2 MET 1 HB2 MET 1 9.667 8.002 13.320 6 HB3 MET 1 HB3 MET 1 9.674 7.239 11.730 7 HG2 MET 1 HG2 MET 1 12.032 6.644 11.989 8 HG3 MET 1 HG3 MET 1 12.094 7.481 13.541 9 HE1 MET 1 HE1 MET 1 12.394 3.911 14.772 10 HE2 MET 1 HE2 MET 1 13.162 5.455 14.411 11 HE3 MET 1 HE3 MET 1 12.904 4.285 13.120 12 H ALA 2 H ALA 2 9.576 8.726 9.612 13 HA ALA 2 HA ALA 2 10.149 8.211 7.451 14 HB1 ALA 2 HB1 ALA 2 11.092 10.414 7.373 15 HB2 ALA 2 HB2 ALA 2 12.257 9.332 6.612 16 HB3 ALA 2 HB3 ALA 2 12.527 9.896 8.260 17 H SER 3 H SER 3 10.281 5.969 7.809 18 HA SER 3 HA SER 3 12.844 4.840 7.215 19 HB2 SER 3 HB2 SER 3 12.923 5.065 9.726 20 HB3 SER 3 HB3 SER 3 11.549 3.966 9.806 21 HG SER 3 HG SER 3 14.117 3.374 9.560 22 H ARG 4 H ARG 4 12.599 2.832 6.183 23 HA ARG 4 HA ARG 4 10.153 2.215 5.030 24 HB2 ARG 4 HB2 ARG 4 12.351 1.451 4.181 25 HB3 ARG 4 HB3 ARG 4 12.485 0.346 5.545 26 HG2 ARG 4 HG2 ARG 4 10.548 -0.908 4.801 27 HG3 ARG 4 HG3 ARG 4 10.219 0.271 3.530 28 HD2 ARG 4 HD2 ARG 4 12.325 -0.282 2.426 29 HD3 ARG 4 HD3 ARG 4 12.745 -1.393 3.728 30 HE ARG 4 HE ARG 4 11.288 -2.957 2.812 31 HH11 ARG 4 HH11 ARG 4 10.702 0.164 1.326 32 HH12 ARG 4 HH12 ARG 4 9.656 -0.487 0.109 33 HH21 ARG 4 HH21 ARG 4 9.927 -3.755 1.219 34 HH22 ARG 4 HH22 ARG 4 9.220 -2.689 0.051 35 H GLU 5 H GLU 5 11.649 0.902 7.956 36 HA GLU 5 HA GLU 5 9.832 -1.163 8.502 37 HB2 GLU 5 HB2 GLU 5 10.497 -0.893 10.884 38 HB3 GLU 5 HB3 GLU 5 11.883 -0.949 9.800 39 HG2 GLU 5 HG2 GLU 5 11.860 1.582 9.811 40 HG3 GLU 5 HG3 GLU 5 10.659 1.510 11.089 41 H GLU 6 H GLU 6 9.723 2.269 9.321 42 HA GLU 6 HA GLU 6 7.406 2.175 10.884 43 HB2 GLU 6 HB2 GLU 6 8.739 4.382 9.324 44 HB3 GLU 6 HB3 GLU 6 7.242 4.662 10.214 45 HG2 GLU 6 HG2 GLU 6 9.703 3.439 11.485 46 HG3 GLU 6 HG3 GLU 6 9.377 5.171 11.499 47 H ILE 7 H ILE 7 7.848 2.579 7.389 48 HA ILE 7 HA ILE 7 5.124 3.203 6.830 49 HB ILE 7 HB ILE 7 7.095 1.833 4.979 50 HG12 ILE 7 HG12 ILE 7 8.146 3.896 5.776 51 HG13 ILE 7 HG13 ILE 7 7.603 4.124 4.122 52 HG21 ILE 7 HG21 ILE 7 4.627 3.513 4.453 53 HG22 ILE 7 HG22 ILE 7 4.788 1.778 4.183 54 HG23 ILE 7 HG23 ILE 7 5.726 2.912 3.209 55 HD11 ILE 7 HD11 ILE 7 6.790 6.071 4.969 56 HD12 ILE 7 HD12 ILE 7 6.655 5.436 6.609 57 HD13 ILE 7 HD13 ILE 7 5.422 5.047 5.410 58 H PHE 8 H PHE 8 6.921 0.171 6.244 59 HA PHE 8 HA PHE 8 4.769 -1.438 5.659 60 HB2 PHE 8 HB2 PHE 8 7.130 -2.078 5.341 61 HB3 PHE 8 HB3 PHE 8 7.318 -2.241 7.084 62 HD1 PHE 8 HD1 PHE 8 5.471 -3.571 4.131 63 HD2 PHE 8 HD2 PHE 8 6.637 -4.233 8.211 64 HE1 PHE 8 HE1 PHE 8 4.627 -5.899 3.995 65 HE2 PHE 8 HE2 PHE 8 5.794 -6.560 8.075 66 HZ PHE 8 HZ PHE 8 4.789 -7.394 5.966 67 H SER 9 H SER 9 6.174 -0.846 8.916 68 HA SER 9 HA SER 9 4.589 -2.676 10.320 69 HB2 SER 9 HB2 SER 9 6.541 -1.596 11.310 70 HB3 SER 9 HB3 SER 9 5.730 -0.033 11.252 71 HG SER 9 HG SER 9 5.640 -1.763 13.187 72 H LYS 10 H LYS 10 3.997 0.807 9.732 73 HA LYS 10 HA LYS 10 1.481 0.808 11.087 74 HB2 LYS 10 HB2 LYS 10 2.999 2.744 9.386 75 HB3 LYS 10 HB3 LYS 10 1.262 2.998 9.547 76 HG2 LYS 10 HG2 LYS 10 2.296 4.260 11.313 77 HG3 LYS 10 HG3 LYS 10 1.581 2.838 12.070 78 HD2 LYS 10 HD2 LYS 10 3.791 1.711 12.023 79 HD3 LYS 10 HD3 LYS 10 4.497 3.154 11.298 80 HE2 LYS 10 HE2 LYS 10 3.855 4.478 13.271 81 HE3 LYS 10 HE3 LYS 10 3.137 3.043 14.003 82 HZ1 LYS 10 HZ1 LYS 10 5.934 2.932 13.109 83 HZ2 LYS 10 HZ2 LYS 10 5.167 2.098 14.377 84 HZ3 LYS 10 HZ3 LYS 10 5.572 3.737 14.558 85 H VAL 11 H VAL 11 2.440 0.390 7.721 86 HA VAL 11 HA VAL 11 -0.117 0.529 6.558 87 HB VAL 11 HB VAL 11 2.420 -0.893 5.710 88 HG11 VAL 11 HG11 VAL 11 -0.216 -0.614 4.237 89 HG12 VAL 11 HG12 VAL 11 0.670 -2.099 4.581 90 HG13 VAL 11 HG13 VAL 11 1.309 -0.943 3.414 91 HG21 VAL 11 HG21 VAL 11 2.809 0.994 4.356 92 HG22 VAL 11 HG22 VAL 11 2.152 1.706 5.827 93 HG23 VAL 11 HG23 VAL 11 1.122 1.506 4.413 94 H LYS 12 H LYS 12 1.753 -2.202 7.836 95 HA LYS 12 HA LYS 12 -0.171 -4.203 7.298 96 HB2 LYS 12 HB2 LYS 12 2.185 -4.714 7.891 97 HB3 LYS 12 HB3 LYS 12 1.868 -4.163 9.535 98 HG2 LYS 12 HG2 LYS 12 -0.144 -6.133 8.695 99 HG3 LYS 12 HG3 LYS 12 1.482 -6.776 8.495 100 HD2 LYS 12 HD2 LYS 12 1.996 -6.551 10.777 101 HD3 LYS 12 HD3 LYS 12 0.698 -5.396 11.058 102 HE2 LYS 12 HE2 LYS 12 -0.776 -7.044 11.533 103 HE3 LYS 12 HE3 LYS 12 -0.353 -7.966 10.087 104 HZ1 LYS 12 HZ1 LYS 12 0.173 -8.814 12.535 105 HZ2 LYS 12 HZ2 LYS 12 1.602 -7.926 12.264 106 HZ3 LYS 12 HZ3 LYS 12 1.167 -9.186 11.216 107 H SER 13 H SER 13 0.273 -1.986 10.030 108 HA SER 13 HA SER 13 -1.512 -3.174 11.828 109 HB2 SER 13 HB2 SER 13 -0.790 -0.267 11.432 110 HB3 SER 13 HB3 SER 13 -1.707 -0.880 12.804 111 HG SER 13 HG SER 13 0.883 -0.778 12.569 112 H ILE 14 H ILE 14 -2.174 -0.859 9.184 113 HA ILE 14 HA ILE 14 -4.941 -0.587 9.896 114 HB ILE 14 HB ILE 14 -3.580 0.032 7.260 115 HG12 ILE 14 HG12 ILE 14 -2.477 1.282 9.057 116 HG13 ILE 14 HG13 ILE 14 -3.466 2.380 8.105 117 HG21 ILE 14 HG21 ILE 14 -6.124 -0.123 7.302 118 HG22 ILE 14 HG22 ILE 14 -5.461 1.417 6.757 119 HG23 ILE 14 HG23 ILE 14 -6.101 1.265 8.392 120 HD11 ILE 14 HD11 ILE 14 -3.779 1.513 10.941 121 HD12 ILE 14 HD12 ILE 14 -5.268 1.724 10.023 122 HD13 ILE 14 HD13 ILE 14 -4.142 3.070 10.196 123 H ILE 15 H ILE 15 -3.218 -2.358 7.301 124 HA ILE 15 HA ILE 15 -5.457 -3.538 6.109 125 HB ILE 15 HB ILE 15 -2.558 -4.425 6.286 126 HG12 ILE 15 HG12 ILE 15 -4.002 -3.193 3.934 127 HG13 ILE 15 HG13 ILE 15 -3.261 -2.185 5.169 128 HG21 ILE 15 HG21 ILE 15 -3.010 -5.862 4.341 129 HG22 ILE 15 HG22 ILE 15 -4.708 -5.390 4.363 130 HG23 ILE 15 HG23 ILE 15 -4.043 -6.347 5.687 131 HD11 ILE 15 HD11 ILE 15 -1.735 -2.582 3.250 132 HD12 ILE 15 HD12 ILE 15 -1.828 -4.317 3.549 133 HD13 ILE 15 HD13 ILE 15 -1.085 -3.254 4.744 134 H SER 16 H SER 16 -3.269 -4.839 8.577 135 HA SER 16 HA SER 16 -4.534 -7.328 8.917 136 HB2 SER 16 HB2 SER 16 -2.240 -6.967 9.625 137 HB3 SER 16 HB3 SER 16 -2.760 -5.757 10.792 138 HG SER 16 HG SER 16 -3.798 -8.389 10.831 139 H GLU 17 H GLU 17 -4.932 -4.257 10.561 140 HA GLU 17 HA GLU 17 -6.648 -5.229 12.622 141 HB2 GLU 17 HB2 GLU 17 -5.364 -3.177 12.908 142 HB3 GLU 17 HB3 GLU 17 -6.223 -2.418 11.574 143 HG2 GLU 17 HG2 GLU 17 -8.324 -2.529 12.814 144 HG3 GLU 17 HG3 GLU 17 -7.549 -3.432 14.111 145 H LYS 18 H LYS 18 -7.227 -3.775 9.437 146 HA LYS 18 HA LYS 18 -10.090 -3.729 9.847 147 HB2 LYS 18 HB2 LYS 18 -8.214 -2.851 7.696 148 HB3 LYS 18 HB3 LYS 18 -9.869 -3.205 7.216 149 HG2 LYS 18 HG2 LYS 18 -9.998 -0.930 7.754 150 HG3 LYS 18 HG3 LYS 18 -10.526 -1.689 9.255 151 HD2 LYS 18 HD2 LYS 18 -8.200 -1.516 10.128 152 HD3 LYS 18 HD3 LYS 18 -7.731 -0.686 8.642 153 HE2 LYS 18 HE2 LYS 18 -9.366 1.097 9.112 154 HE3 LYS 18 HE3 LYS 18 -9.845 0.272 10.596 155 HZ1 LYS 18 HZ1 LYS 18 -7.909 0.807 11.634 156 HZ2 LYS 18 HZ2 LYS 18 -8.033 2.150 10.601 157 HZ3 LYS 18 HZ3 LYS 18 -7.006 0.859 10.199 158 H LEU 19 H LEU 19 -7.786 -5.906 8.368 159 HA LEU 19 HA LEU 19 -9.976 -7.449 7.130 160 HB2 LEU 19 HB2 LEU 19 -6.982 -7.708 6.763 161 HB3 LEU 19 HB3 LEU 19 -8.206 -8.632 5.901 162 HG LEU 19 HG LEU 19 -7.966 -5.607 5.812 163 HD11 LEU 19 HD11 LEU 19 -6.061 -6.940 4.762 164 HD12 LEU 19 HD12 LEU 19 -6.923 -5.856 3.672 165 HD13 LEU 19 HD13 LEU 19 -7.252 -7.588 3.636 166 HD21 LEU 19 HD21 LEU 19 -10.236 -6.299 5.319 167 HD22 LEU 19 HD22 LEU 19 -9.667 -7.611 4.289 168 HD23 LEU 19 HD23 LEU 19 -9.461 -5.936 3.777 169 H GLY 20 H GLY 20 -7.825 -7.524 9.822 170 HA2 GLY 20 HA2 GLY 20 -7.576 -9.058 11.535 171 HA3 GLY 20 HA3 GLY 20 -8.937 -9.951 10.853 172 H VAL 21 H VAL 21 -5.861 -9.040 9.345 173 HA VAL 21 HA VAL 21 -5.177 -11.918 9.059 174 HB VAL 21 HB VAL 21 -4.772 -9.828 6.909 175 HG11 VAL 21 HG11 VAL 21 -4.311 -11.845 5.524 176 HG12 VAL 21 HG12 VAL 21 -4.481 -12.844 6.965 177 HG13 VAL 21 HG13 VAL 21 -3.172 -11.668 6.860 178 HG21 VAL 21 HG21 VAL 21 -6.913 -11.965 7.221 179 HG22 VAL 21 HG22 VAL 21 -6.575 -11.141 5.699 180 HG23 VAL 21 HG23 VAL 21 -7.165 -10.224 7.085 181 H ASP 22 H ASP 22 -3.012 -12.468 9.232 182 HA ASP 22 HA ASP 22 -1.294 -10.390 10.341 183 HB2 ASP 22 HB2 ASP 22 -1.390 -13.346 10.495 184 HB3 ASP 22 HB3 ASP 22 0.204 -12.603 10.607 185 H GLU 23 H GLU 23 0.856 -10.211 9.866 186 HA GLU 23 HA GLU 23 1.638 -9.337 7.471 187 HB2 GLU 23 HB2 GLU 23 3.238 -10.712 9.612 188 HB3 GLU 23 HB3 GLU 23 4.030 -10.132 8.145 189 HG2 GLU 23 HG2 GLU 23 3.304 -7.886 8.540 190 HG3 GLU 23 HG3 GLU 23 2.234 -8.404 9.830 191 H SER 24 H SER 24 1.461 -12.794 8.223 192 HA SER 24 HA SER 24 3.146 -13.817 6.264 193 HB2 SER 24 HB2 SER 24 0.503 -14.898 7.266 194 HB3 SER 24 HB3 SER 24 1.638 -15.815 6.277 195 HG SER 24 HG SER 24 1.701 -15.830 8.770 196 H GLN 25 H GLN 25 -0.191 -12.682 5.984 197 HA GLN 25 HA GLN 25 -0.393 -13.349 3.168 198 HB2 GLN 25 HB2 GLN 25 -2.142 -11.791 5.056 199 HB3 GLN 25 HB3 GLN 25 -2.526 -12.016 3.353 200 HG2 GLN 25 HG2 GLN 25 -1.955 -14.323 5.219 201 HG3 GLN 25 HG3 GLN 25 -3.583 -13.720 4.922 202 HE21 GLN 25 HE21 GLN 25 -3.764 -13.282 2.251 203 HE22 GLN 25 HE22 GLN 25 -3.371 -14.683 1.365 204 H VAL 26 H VAL 26 0.698 -10.632 5.052 205 HA VAL 26 HA VAL 26 0.389 -8.691 2.917 206 HB VAL 26 HB VAL 26 1.868 -8.522 5.574 207 HG11 VAL 26 HG11 VAL 26 1.990 -6.155 5.227 208 HG12 VAL 26 HG12 VAL 26 0.973 -6.247 3.790 209 HG13 VAL 26 HG13 VAL 26 2.609 -6.900 3.755 210 HG21 VAL 26 HG21 VAL 26 -0.106 -7.215 6.288 211 HG22 VAL 26 HG22 VAL 26 -0.564 -8.853 5.820 212 HG23 VAL 26 HG23 VAL 26 -0.862 -7.505 4.721 213 H THR 27 H THR 27 1.749 -8.471 1.266 214 HA THR 27 HA THR 27 4.619 -8.978 1.642 215 HB THR 27 HB THR 27 3.277 -10.175 -0.775 216 HG1 THR 27 HG1 THR 27 2.846 -11.939 0.288 217 HG21 THR 27 HG21 THR 27 5.319 -11.514 -0.849 218 HG22 THR 27 HG22 THR 27 5.864 -10.802 0.669 219 HG23 THR 27 HG23 THR 27 5.733 -9.803 -0.777 220 H GLU 28 H GLU 28 5.920 -7.962 0.094 221 HA GLU 28 HA GLU 28 4.973 -5.509 -0.909 222 HB2 GLU 28 HB2 GLU 28 7.425 -7.145 -1.580 223 HB3 GLU 28 HB3 GLU 28 7.129 -5.533 -2.233 224 HG2 GLU 28 HG2 GLU 28 7.012 -4.616 0.046 225 HG3 GLU 28 HG3 GLU 28 7.276 -6.226 0.715 226 H GLU 29 H GLU 29 4.977 -8.750 -2.208 227 HA GLU 29 HA GLU 29 4.142 -7.752 -4.863 228 HB2 GLU 29 HB2 GLU 29 5.154 -10.481 -4.038 229 HB3 GLU 29 HB3 GLU 29 4.653 -10.034 -5.669 230 HG2 GLU 29 HG2 GLU 29 6.374 -8.247 -5.683 231 HG3 GLU 29 HG3 GLU 29 6.906 -8.765 -4.087 232 H ALA 30 H ALA 30 2.734 -8.795 -2.041 233 HA ALA 30 HA ALA 30 0.704 -10.519 -3.176 234 HB1 ALA 30 HB1 ALA 30 1.152 -9.302 -0.456 235 HB2 ALA 30 HB2 ALA 30 1.183 -11.003 -0.917 236 HB3 ALA 30 HB3 ALA 30 -0.350 -10.134 -0.855 237 H LYS 31 H LYS 31 -1.316 -9.963 -3.789 238 HA LYS 31 HA LYS 31 -1.878 -7.127 -4.177 239 HB2 LYS 31 HB2 LYS 31 -3.487 -9.575 -4.931 240 HB3 LYS 31 HB3 LYS 31 -3.840 -7.929 -5.436 241 HG2 LYS 31 HG2 LYS 31 -1.128 -9.116 -6.012 242 HG3 LYS 31 HG3 LYS 31 -2.493 -9.541 -7.039 243 HD2 LYS 31 HD2 LYS 31 -1.837 -6.657 -6.415 244 HD3 LYS 31 HD3 LYS 31 -1.058 -7.509 -7.748 245 HE2 LYS 31 HE2 LYS 31 -4.059 -7.219 -7.392 246 HE3 LYS 31 HE3 LYS 31 -3.075 -6.262 -8.498 247 HZ1 LYS 31 HZ1 LYS 31 -3.882 -9.059 -8.675 248 HZ2 LYS 31 HZ2 LYS 31 -2.328 -8.670 -9.243 249 HZ3 LYS 31 HZ3 LYS 31 -3.694 -7.905 -9.904 250 H LEU 32 H LEU 32 -3.171 -5.961 -2.896 251 HA LEU 32 HA LEU 32 -4.035 -6.915 -0.405 252 HB2 LEU 32 HB2 LEU 32 -4.755 -4.468 -2.005 253 HB3 LEU 32 HB3 LEU 32 -5.391 -4.755 -0.385 254 HG LEU 32 HG LEU 32 -2.413 -4.871 -0.961 255 HD11 LEU 32 HD11 LEU 32 -2.217 -2.558 -0.386 256 HD12 LEU 32 HD12 LEU 32 -3.906 -2.454 0.106 257 HD13 LEU 32 HD13 LEU 32 -3.491 -2.629 -1.599 258 HD21 LEU 32 HD21 LEU 32 -2.968 -5.842 1.144 259 HD22 LEU 32 HD22 LEU 32 -4.164 -4.597 1.498 260 HD23 LEU 32 HD23 LEU 32 -2.447 -4.204 1.532 261 H ILE 33 H ILE 33 -5.844 -6.590 -3.457 262 HA ILE 33 HA ILE 33 -8.293 -7.401 -2.128 263 HB ILE 33 HB ILE 33 -8.335 -5.676 -3.887 264 HG12 ILE 33 HG12 ILE 33 -9.866 -8.114 -4.822 265 HG13 ILE 33 HG13 ILE 33 -10.289 -7.254 -3.342 266 HG21 ILE 33 HG21 ILE 33 -7.952 -6.223 -6.203 267 HG22 ILE 33 HG22 ILE 33 -7.768 -7.938 -5.827 268 HG23 ILE 33 HG23 ILE 33 -6.543 -6.783 -5.299 269 HD11 ILE 33 HD11 ILE 33 -10.085 -5.954 -6.076 270 HD12 ILE 33 HD12 ILE 33 -10.644 -5.191 -4.588 271 HD13 ILE 33 HD13 ILE 33 -11.596 -6.475 -5.331 272 H ASP 34 H ASP 34 -6.046 -8.893 -4.473 273 HA ASP 34 HA ASP 34 -7.697 -11.287 -4.569 274 HB2 ASP 34 HB2 ASP 34 -4.984 -10.721 -5.770 275 HB3 ASP 34 HB3 ASP 34 -5.971 -12.142 -6.099 276 H ASP 35 H ASP 35 -4.353 -10.584 -3.527 277 HA ASP 35 HA ASP 35 -3.942 -13.155 -2.387 278 HB2 ASP 35 HB2 ASP 35 -2.166 -11.547 -3.208 279 HB3 ASP 35 HB3 ASP 35 -2.400 -10.665 -1.701 280 H LEU 36 H LEU 36 -5.238 -10.144 -1.062 281 HA LEU 36 HA LEU 36 -5.254 -11.414 1.611 282 HB2 LEU 36 HB2 LEU 36 -4.915 -8.617 0.694 283 HB3 LEU 36 HB3 LEU 36 -5.845 -8.839 2.170 284 HG LEU 36 HG LEU 36 -3.159 -10.186 1.797 285 HD11 LEU 36 HD11 LEU 36 -2.610 -7.881 1.470 286 HD12 LEU 36 HD12 LEU 36 -2.267 -8.212 3.167 287 HD13 LEU 36 HD13 LEU 36 -3.744 -7.359 2.716 288 HD21 LEU 36 HD21 LEU 36 -4.760 -9.280 4.213 289 HD22 LEU 36 HD22 LEU 36 -3.196 -10.091 4.277 290 HD23 LEU 36 HD23 LEU 36 -4.604 -10.942 3.642 291 H GLY 37 H GLY 37 -7.326 -10.240 -0.955 292 HA2 GLY 37 HA2 GLY 37 -9.616 -10.748 -1.141 293 HA3 GLY 37 HA3 GLY 37 -9.628 -11.209 0.549 294 H ALA 38 H ALA 38 -8.207 -8.134 -0.218 295 HA ALA 38 HA ALA 38 -10.382 -6.788 1.201 296 HB1 ALA 38 HB1 ALA 38 -8.901 -5.031 1.555 297 HB2 ALA 38 HB2 ALA 38 -7.986 -5.370 0.086 298 HB3 ALA 38 HB3 ALA 38 -7.803 -6.409 1.501 299 H ASP 39 H ASP 39 -12.079 -6.400 -0.030 300 HA ASP 39 HA ASP 39 -12.092 -5.995 -2.809 301 HB2 ASP 39 HB2 ASP 39 -14.081 -6.655 -1.459 302 HB3 ASP 39 HB3 ASP 39 -14.157 -5.012 -0.824 303 H SER 40 H SER 40 -12.701 -4.032 -3.989 304 HA SER 40 HA SER 40 -10.934 -1.961 -3.730 305 HB2 SER 40 HB2 SER 40 -12.437 -0.622 -5.141 306 HB3 SER 40 HB3 SER 40 -12.320 -2.280 -5.723 307 HG SER 40 HG SER 40 -14.294 -2.717 -4.753 308 H LEU 41 H LEU 41 -14.128 -2.202 -2.197 309 HA LEU 41 HA LEU 41 -14.209 0.425 -1.124 310 HB2 LEU 41 HB2 LEU 41 -16.190 -1.067 -1.188 311 HB3 LEU 41 HB3 LEU 41 -15.416 -2.142 -0.029 312 HG LEU 41 HG LEU 41 -15.352 -0.241 1.613 313 HD11 LEU 41 HD11 LEU 41 -16.958 1.136 -0.561 314 HD12 LEU 41 HD12 LEU 41 -15.436 1.677 0.149 315 HD13 LEU 41 HD13 LEU 41 -16.913 1.688 1.114 316 HD21 LEU 41 HD21 LEU 41 -17.149 -1.877 1.740 317 HD22 LEU 41 HD22 LEU 41 -18.057 -1.028 0.488 318 HD23 LEU 41 HD23 LEU 41 -17.815 -0.277 2.065 319 H ASP 42 H ASP 42 -13.066 -2.663 0.165 320 HA ASP 42 HA ASP 42 -12.165 -1.775 2.680 321 HB2 ASP 42 HB2 ASP 42 -11.157 -4.032 0.924 322 HB3 ASP 42 HB3 ASP 42 -10.607 -3.763 2.567 323 H LEU 43 H LEU 43 -10.548 -1.943 -0.464 324 HA LEU 43 HA LEU 43 -7.970 -1.201 0.312 325 HB2 LEU 43 HB2 LEU 43 -8.560 -2.152 -1.895 326 HB3 LEU 43 HB3 LEU 43 -9.401 -0.664 -2.306 327 HG LEU 43 HG LEU 43 -7.239 0.583 -2.011 328 HD11 LEU 43 HD11 LEU 43 -6.133 -2.227 -1.716 329 HD12 LEU 43 HD12 LEU 43 -6.042 -0.924 -0.530 330 HD13 LEU 43 HD13 LEU 43 -5.141 -0.805 -2.042 331 HD21 LEU 43 HD21 LEU 43 -8.061 -0.260 -4.228 332 HD22 LEU 43 HD22 LEU 43 -7.069 -1.699 -3.998 333 HD23 LEU 43 HD23 LEU 43 -6.305 -0.117 -4.140 334 H VAL 44 H VAL 44 -10.763 0.782 -0.675 335 HA VAL 44 HA VAL 44 -9.440 3.261 -0.712 336 HB VAL 44 HB VAL 44 -12.340 2.551 -0.189 337 HG11 VAL 44 HG11 VAL 44 -12.826 4.938 -0.765 338 HG12 VAL 44 HG12 VAL 44 -11.095 5.275 -0.697 339 HG13 VAL 44 HG13 VAL 44 -11.953 4.769 0.758 340 HG21 VAL 44 HG21 VAL 44 -11.078 3.784 -2.646 341 HG22 VAL 44 HG22 VAL 44 -12.668 3.035 -2.499 342 HG23 VAL 44 HG23 VAL 44 -11.214 2.039 -2.432 343 H ASP 45 H ASP 45 -11.189 1.612 1.921 344 HA ASP 45 HA ASP 45 -10.879 3.621 3.875 345 HB2 ASP 45 HB2 ASP 45 -12.419 1.687 4.088 346 HB3 ASP 45 HB3 ASP 45 -11.028 0.625 4.294 347 H LEU 46 H LEU 46 -8.861 0.849 3.019 348 HA LEU 46 HA LEU 46 -6.929 1.118 5.059 349 HB2 LEU 46 HB2 LEU 46 -7.178 -0.318 2.469 350 HB3 LEU 46 HB3 LEU 46 -5.543 -0.065 3.042 351 HG LEU 46 HG LEU 46 -5.992 -1.275 5.093 352 HD11 LEU 46 HD11 LEU 46 -8.139 -2.187 5.712 353 HD12 LEU 46 HD12 LEU 46 -8.858 -1.698 4.183 354 HD13 LEU 46 HD13 LEU 46 -8.403 -0.479 5.372 355 HD21 LEU 46 HD21 LEU 46 -7.361 -2.860 2.910 356 HD22 LEU 46 HD22 LEU 46 -6.310 -3.454 4.193 357 HD23 LEU 46 HD23 LEU 46 -5.634 -2.512 2.867 358 H VAL 47 H VAL 47 -6.605 2.031 1.588 359 HA VAL 47 HA VAL 47 -4.195 3.391 1.878 360 HB VAL 47 HB VAL 47 -5.101 2.754 -0.316 361 HG11 VAL 47 HG11 VAL 47 -6.944 5.150 -0.160 362 HG12 VAL 47 HG12 VAL 47 -7.487 3.553 0.341 363 HG13 VAL 47 HG13 VAL 47 -6.962 3.822 -1.319 364 HG21 VAL 47 HG21 VAL 47 -4.769 5.764 -0.243 365 HG22 VAL 47 HG22 VAL 47 -4.286 4.645 -1.517 366 HG23 VAL 47 HG23 VAL 47 -3.418 4.659 0.017 367 H MET 48 H MET 48 -7.531 4.618 2.237 368 HA MET 48 HA MET 48 -6.933 7.333 2.544 369 HB2 MET 48 HB2 MET 48 -9.231 6.381 2.319 370 HB3 MET 48 HB3 MET 48 -9.101 5.754 3.961 371 HG2 MET 48 HG2 MET 48 -10.310 7.872 4.012 372 HG3 MET 48 HG3 MET 48 -8.737 8.089 4.780 373 HE1 MET 48 HE1 MET 48 -9.849 8.033 0.828 374 HE2 MET 48 HE2 MET 48 -10.362 9.718 0.875 375 HE3 MET 48 HE3 MET 48 -11.060 8.559 2.005 376 H ASP 49 H ASP 49 -7.088 4.716 4.950 377 HA ASP 49 HA ASP 49 -6.600 6.167 7.267 378 HB2 ASP 49 HB2 ASP 49 -7.001 3.622 6.987 379 HB3 ASP 49 HB3 ASP 49 -5.247 3.508 6.808 380 H PHE 50 H PHE 50 -4.319 5.039 4.812 381 HA PHE 50 HA PHE 50 -1.948 5.980 6.169 382 HB2 PHE 50 HB2 PHE 50 -2.237 5.544 3.187 383 HB3 PHE 50 HB3 PHE 50 -0.761 5.507 4.136 384 HD1 PHE 50 HD1 PHE 50 -1.972 3.394 2.197 385 HD2 PHE 50 HD2 PHE 50 -2.002 3.759 6.480 386 HE1 PHE 50 HE1 PHE 50 -2.246 0.946 2.405 387 HE2 PHE 50 HE2 PHE 50 -2.275 1.309 6.676 388 HZ PHE 50 HZ PHE 50 -2.405 -0.094 4.639 389 H GLU 51 H GLU 51 -4.205 7.256 3.794 390 HA GLU 51 HA GLU 51 -2.833 9.535 2.909 391 HB2 GLU 51 HB2 GLU 51 -4.967 8.585 1.962 392 HB3 GLU 51 HB3 GLU 51 -5.821 9.265 3.340 393 HG2 GLU 51 HG2 GLU 51 -4.978 11.525 2.705 394 HG3 GLU 51 HG3 GLU 51 -4.254 10.807 1.267 395 H SER 52 H SER 52 -5.077 9.097 5.632 396 HA SER 52 HA SER 52 -4.795 11.809 6.576 397 HB2 SER 52 HB2 SER 52 -6.879 10.579 6.942 398 HB3 SER 52 HB3 SER 52 -6.015 9.367 7.883 399 HG SER 52 HG SER 52 -5.632 10.858 9.448 400 H GLU 53 H GLU 53 -3.673 8.633 7.618 401 HA GLU 53 HA GLU 53 -2.404 9.352 9.996 402 HB2 GLU 53 HB2 GLU 53 -2.809 7.013 9.274 403 HB3 GLU 53 HB3 GLU 53 -1.528 7.174 8.075 404 HG2 GLU 53 HG2 GLU 53 0.108 7.612 9.859 405 HG3 GLU 53 HG3 GLU 53 -1.166 7.494 11.071 406 H PHE 54 H PHE 54 -0.937 9.155 6.719 407 HA PHE 54 HA PHE 54 1.551 10.256 7.724 408 HB2 PHE 54 HB2 PHE 54 0.639 9.413 4.973 409 HB3 PHE 54 HB3 PHE 54 2.219 10.129 5.276 410 HD1 PHE 54 HD1 PHE 54 0.118 7.157 5.684 411 HD2 PHE 54 HD2 PHE 54 3.860 8.977 6.748 412 HE1 PHE 54 HE1 PHE 54 0.971 4.959 6.445 413 HE2 PHE 54 HE2 PHE 54 4.714 6.776 7.508 414 HZ PHE 54 HZ PHE 54 3.269 4.768 7.356 415 H GLY 55 H GLY 55 -1.318 11.732 6.986 416 HA2 GLY 55 HA2 GLY 55 -1.899 13.919 6.545 417 HA3 GLY 55 HA3 GLY 55 -0.248 14.334 6.995 418 H VAL 56 H VAL 56 -1.204 12.211 4.351 419 HA VAL 56 HA VAL 56 -0.303 14.240 2.396 420 HB VAL 56 HB VAL 56 0.798 12.430 1.099 421 HG11 VAL 56 HG11 VAL 56 1.974 13.878 2.850 422 HG12 VAL 56 HG12 VAL 56 2.782 12.376 2.402 423 HG13 VAL 56 HG13 VAL 56 1.885 12.476 3.914 424 HG21 VAL 56 HG21 VAL 56 0.012 10.781 3.514 425 HG22 VAL 56 HG22 VAL 56 1.308 10.296 2.421 426 HG23 VAL 56 HG23 VAL 56 -0.342 10.452 1.818 427 H LYS 57 H LYS 57 -1.194 14.056 0.316 428 HA LYS 57 HA LYS 57 -3.806 12.682 0.247 429 HB2 LYS 57 HB2 LYS 57 -3.808 15.151 -0.064 430 HB3 LYS 57 HB3 LYS 57 -2.770 14.959 -1.471 431 HG2 LYS 57 HG2 LYS 57 -5.028 15.178 -2.287 432 HG3 LYS 57 HG3 LYS 57 -4.571 13.488 -2.484 433 HD2 LYS 57 HD2 LYS 57 -5.773 12.886 -0.441 434 HD3 LYS 57 HD3 LYS 57 -6.161 14.581 -0.141 435 HE2 LYS 57 HE2 LYS 57 -7.436 14.663 -2.253 436 HE3 LYS 57 HE3 LYS 57 -7.051 12.968 -2.551 437 HZ1 LYS 57 HZ1 LYS 57 -8.081 12.604 -0.245 438 HZ2 LYS 57 HZ2 LYS 57 -9.121 12.878 -1.560 439 HZ3 LYS 57 HZ3 LYS 57 -8.779 14.134 -0.466 440 H VAL 58 H VAL 58 -4.325 11.245 -1.423 441 HA VAL 58 HA VAL 58 -2.046 10.461 -3.134 442 HB VAL 58 HB VAL 58 -3.162 8.266 -3.341 443 HG11 VAL 58 HG11 VAL 58 -2.923 8.986 -0.407 444 HG12 VAL 58 HG12 VAL 58 -1.516 8.918 -1.462 445 HG13 VAL 58 HG13 VAL 58 -2.488 7.474 -1.203 446 HG21 VAL 58 HG21 VAL 58 -5.496 9.051 -2.951 447 HG22 VAL 58 HG22 VAL 58 -5.092 9.381 -1.266 448 HG23 VAL 58 HG23 VAL 58 -5.066 7.725 -1.871 449 H ASP 59 H ASP 59 -2.265 10.137 -5.240 450 HA ASP 59 HA ASP 59 -4.372 11.562 -6.628 451 HB2 ASP 59 HB2 ASP 59 -1.930 11.596 -7.298 452 HB3 ASP 59 HB3 ASP 59 -2.126 9.925 -7.788 453 H ASP 60 H ASP 60 -6.045 10.704 -7.749 454 HA ASP 60 HA ASP 60 -6.993 8.104 -7.242 455 HB2 ASP 60 HB2 ASP 60 -7.540 9.973 -9.566 456 HB3 ASP 60 HB3 ASP 60 -8.396 8.453 -9.335 457 H ALA 61 H ALA 61 -4.908 9.411 -9.703 458 HA ALA 61 HA ALA 61 -4.651 7.094 -11.343 459 HB1 ALA 61 HB1 ALA 61 -3.104 8.300 -12.526 460 HB2 ALA 61 HB2 ALA 61 -2.369 8.973 -11.078 461 HB3 ALA 61 HB3 ALA 61 -3.882 9.637 -11.679 462 H ASP 62 H ASP 62 -2.916 8.314 -8.450 463 HA ASP 62 HA ASP 62 -0.853 6.380 -8.420 464 HB2 ASP 62 HB2 ASP 62 -2.136 7.920 -6.155 465 HB3 ASP 62 HB3 ASP 62 -0.815 6.795 -5.907 466 H LEU 63 H LEU 63 -4.161 6.368 -7.131 467 HA LEU 63 HA LEU 63 -4.012 3.961 -5.691 468 HB2 LEU 63 HB2 LEU 63 -6.328 5.236 -7.168 469 HB3 LEU 63 HB3 LEU 63 -6.500 3.810 -6.148 470 HG LEU 63 HG LEU 63 -5.283 6.401 -5.153 471 HD11 LEU 63 HD11 LEU 63 -7.695 6.615 -5.934 472 HD12 LEU 63 HD12 LEU 63 -7.420 6.987 -4.233 473 HD13 LEU 63 HD13 LEU 63 -8.115 5.433 -4.695 474 HD21 LEU 63 HD21 LEU 63 -4.685 4.517 -3.771 475 HD22 LEU 63 HD22 LEU 63 -6.329 3.879 -3.828 476 HD23 LEU 63 HD23 LEU 63 -5.988 5.362 -2.936 477 H GLU 64 H GLU 64 -4.724 4.566 -9.152 478 HA GLU 64 HA GLU 64 -5.191 1.856 -9.841 479 HB2 GLU 64 HB2 GLU 64 -4.290 4.245 -11.466 480 HB3 GLU 64 HB3 GLU 64 -4.663 2.676 -12.175 481 HG2 GLU 64 HG2 GLU 64 -6.583 4.348 -10.523 482 HG3 GLU 64 HG3 GLU 64 -6.607 4.213 -12.277 483 H LYS 65 H LYS 65 -2.288 3.742 -9.383 484 HA LYS 65 HA LYS 65 -0.501 1.831 -10.673 485 HB2 LYS 65 HB2 LYS 65 0.115 4.205 -8.889 486 HB3 LYS 65 HB3 LYS 65 1.289 3.298 -9.834 487 HG2 LYS 65 HG2 LYS 65 0.393 4.078 -11.898 488 HG3 LYS 65 HG3 LYS 65 -1.080 4.655 -11.131 489 HD2 LYS 65 HD2 LYS 65 0.720 6.143 -9.742 490 HD3 LYS 65 HD3 LYS 65 1.637 5.909 -11.224 491 HE2 LYS 65 HE2 LYS 65 0.222 7.230 -12.468 492 HE3 LYS 65 HE3 LYS 65 -1.210 6.761 -11.550 493 HZ1 LYS 65 HZ1 LYS 65 -0.543 9.092 -11.139 494 HZ2 LYS 65 HZ2 LYS 65 0.947 8.537 -10.529 495 HZ3 LYS 65 HZ3 LYS 65 -0.498 8.141 -9.733 496 H ILE 66 H ILE 66 -2.033 2.087 -7.653 497 HA ILE 66 HA ILE 66 0.018 0.450 -6.284 498 HB ILE 66 HB ILE 66 -2.191 2.184 -5.132 499 HG12 ILE 66 HG12 ILE 66 0.812 2.506 -4.881 500 HG13 ILE 66 HG13 ILE 66 -0.106 3.277 -6.168 501 HG21 ILE 66 HG21 ILE 66 -0.829 1.697 -2.970 502 HG22 ILE 66 HG22 ILE 66 -0.209 0.305 -3.848 503 HG23 ILE 66 HG23 ILE 66 -1.936 0.452 -3.543 504 HD11 ILE 66 HD11 ILE 66 -1.596 4.239 -4.301 505 HD12 ILE 66 HD12 ILE 66 0.025 4.915 -4.449 506 HD13 ILE 66 HD13 ILE 66 -0.325 3.733 -3.188 507 H SER 67 H SER 67 -0.397 -1.669 -6.394 508 HA SER 67 HA SER 67 -3.199 -2.581 -6.083 509 HB2 SER 67 HB2 SER 67 -0.958 -3.790 -7.712 510 HB3 SER 67 HB3 SER 67 -2.502 -4.583 -7.406 511 HG SER 67 HG SER 67 -2.791 -3.505 -9.285 512 H THR 68 H THR 68 0.203 -3.571 -5.586 513 HA THR 68 HA THR 68 -0.643 -5.430 -3.482 514 HB THR 68 HB THR 68 1.711 -6.229 -3.566 515 HG1 THR 68 HG1 THR 68 3.157 -5.108 -4.575 516 HG21 THR 68 HG21 THR 68 0.363 -5.998 -6.277 517 HG22 THR 68 HG22 THR 68 0.039 -7.238 -5.066 518 HG23 THR 68 HG23 THR 68 1.616 -7.166 -5.853 519 H VAL 69 H VAL 69 0.764 -5.517 -1.512 520 HA VAL 69 HA VAL 69 0.690 -3.048 -0.134 521 HB VAL 69 HB VAL 69 2.270 -5.529 0.593 522 HG11 VAL 69 HG11 VAL 69 1.927 -4.578 2.940 523 HG12 VAL 69 HG12 VAL 69 1.468 -3.070 2.152 524 HG13 VAL 69 HG13 VAL 69 3.088 -3.728 1.922 525 HG21 VAL 69 HG21 VAL 69 0.359 -6.276 1.786 526 HG22 VAL 69 HG22 VAL 69 -0.281 -5.730 0.238 527 HG23 VAL 69 HG23 VAL 69 -0.430 -4.705 1.665 528 H GLY 70 H GLY 70 3.162 -4.553 -2.112 529 HA2 GLY 70 HA2 GLY 70 5.449 -3.173 -1.194 530 HA3 GLY 70 HA3 GLY 70 5.225 -3.784 -2.833 531 H ASP 71 H ASP 71 2.981 -2.335 -3.581 532 HA ASP 71 HA ASP 71 4.092 0.137 -4.396 533 HB2 ASP 71 HB2 ASP 71 1.288 -0.968 -4.480 534 HB3 ASP 71 HB3 ASP 71 1.713 0.610 -5.132 535 H ILE 72 H ILE 72 1.836 -0.794 -1.807 536 HA ILE 72 HA ILE 72 1.086 1.813 -0.967 537 HB ILE 72 HB ILE 72 1.394 -0.773 0.601 538 HG12 ILE 72 HG12 ILE 72 -0.273 -0.846 -1.252 539 HG13 ILE 72 HG13 ILE 72 -0.998 -1.048 0.335 540 HG21 ILE 72 HG21 ILE 72 0.041 1.811 1.426 541 HG22 ILE 72 HG22 ILE 72 1.432 1.049 2.196 542 HG23 ILE 72 HG23 ILE 72 -0.149 0.276 2.271 543 HD11 ILE 72 HD11 ILE 72 -2.054 1.033 0.267 544 HD12 ILE 72 HD12 ILE 72 -2.123 0.558 -1.427 545 HD13 ILE 72 HD13 ILE 72 -0.905 1.703 -0.883 546 H VAL 73 H VAL 73 3.631 -0.392 0.162 547 HA VAL 73 HA VAL 73 4.795 1.301 2.073 548 HB VAL 73 HB VAL 73 5.935 -1.005 0.475 549 HG11 VAL 73 HG11 VAL 73 7.856 0.213 1.262 550 HG12 VAL 73 HG12 VAL 73 7.620 -1.129 2.381 551 HG13 VAL 73 HG13 VAL 73 7.109 0.497 2.834 552 HG21 VAL 73 HG21 VAL 73 5.017 -0.866 3.358 553 HG22 VAL 73 HG22 VAL 73 5.430 -2.311 2.434 554 HG23 VAL 73 HG23 VAL 73 3.982 -1.392 2.030 555 H SER 74 H SER 74 5.799 0.691 -1.303 556 HA SER 74 HA SER 74 7.974 2.477 -1.335 557 HB2 SER 74 HB2 SER 74 6.213 1.529 -3.600 558 HB3 SER 74 HB3 SER 74 7.735 2.386 -3.807 559 HG SER 74 HG SER 74 7.272 -0.226 -3.211 560 H TYR 75 H TYR 75 4.558 2.950 -2.047 561 HA TYR 75 HA TYR 75 4.705 5.483 -3.217 562 HB2 TYR 75 HB2 TYR 75 2.688 4.052 -3.269 563 HB3 TYR 75 HB3 TYR 75 2.457 4.342 -1.544 564 HD1 TYR 75 HD1 TYR 75 2.569 5.967 -4.882 565 HD2 TYR 75 HD2 TYR 75 1.518 6.397 -0.741 566 HE1 TYR 75 HE1 TYR 75 1.419 8.098 -5.395 567 HE2 TYR 75 HE2 TYR 75 0.362 8.526 -1.256 568 HH TYR 75 HH TYR 75 -0.608 9.434 -4.171 569 H ILE 76 H ILE 76 4.221 4.592 0.201 570 HA ILE 76 HA ILE 76 3.998 7.263 1.112 571 HB ILE 76 HB ILE 76 4.838 4.822 2.700 572 HG12 ILE 76 HG12 ILE 76 2.094 6.049 2.271 573 HG13 ILE 76 HG13 ILE 76 2.660 4.632 1.429 574 HG21 ILE 76 HG21 ILE 76 5.280 6.957 3.860 575 HG22 ILE 76 HG22 ILE 76 3.879 6.174 4.590 576 HG23 ILE 76 HG23 ILE 76 3.655 7.521 3.478 577 HD11 ILE 76 HD11 ILE 76 2.711 4.674 4.437 578 HD12 ILE 76 HD12 ILE 76 2.647 3.290 3.347 579 HD13 ILE 76 HD13 ILE 76 1.217 4.296 3.580 580 H GLU 77 H GLU 77 6.738 5.060 0.851 581 HA GLU 77 HA GLU 77 8.660 6.626 2.181 582 HB2 GLU 77 HB2 GLU 77 8.897 4.575 -0.009 583 HB3 GLU 77 HB3 GLU 77 10.299 5.309 0.762 584 HG2 GLU 77 HG2 GLU 77 9.470 4.512 2.959 585 HG3 GLU 77 HG3 GLU 77 8.110 3.739 2.143 586 H LYS 78 H LYS 78 7.645 6.611 -1.235 587 HA LYS 78 HA LYS 78 9.657 8.588 -1.945 588 HB2 LYS 78 HB2 LYS 78 7.484 7.246 -3.569 589 HB3 LYS 78 HB3 LYS 78 8.694 8.347 -4.225 590 HG2 LYS 78 HG2 LYS 78 9.403 5.814 -2.718 591 HG3 LYS 78 HG3 LYS 78 9.238 5.876 -4.471 592 HD2 LYS 78 HD2 LYS 78 10.979 7.679 -4.522 593 HD3 LYS 78 HD3 LYS 78 11.202 7.462 -2.785 594 HE2 LYS 78 HE2 LYS 78 11.535 5.259 -4.839 595 HE3 LYS 78 HE3 LYS 78 12.867 6.183 -4.143 596 HZ1 LYS 78 HZ1 LYS 78 12.604 4.162 -2.921 597 HZ2 LYS 78 HZ2 LYS 78 10.947 4.453 -2.684 598 HZ3 LYS 78 HZ3 LYS 78 12.103 5.444 -1.932 599 H LYS 79 H LYS 79 6.158 8.457 -1.506 600 HA LYS 79 HA LYS 79 5.489 10.954 -2.608 601 HB2 LYS 79 HB2 LYS 79 3.879 9.128 -1.968 602 HB3 LYS 79 HB3 LYS 79 4.105 9.595 -0.287 603 HG2 LYS 79 HG2 LYS 79 2.145 10.744 -1.009 604 HG3 LYS 79 HG3 LYS 79 3.422 11.960 -1.016 605 HD2 LYS 79 HD2 LYS 79 3.709 11.738 -3.412 606 HD3 LYS 79 HD3 LYS 79 2.608 10.364 -3.464 607 HE2 LYS 79 HE2 LYS 79 0.772 11.843 -2.664 608 HE3 LYS 79 HE3 LYS 79 1.882 13.213 -2.720 609 HZ1 LYS 79 HZ1 LYS 79 0.951 11.542 -4.989 610 HZ2 LYS 79 HZ2 LYS 79 2.249 12.637 -5.110 611 HZ3 LYS 79 HZ3 LYS 79 0.689 13.202 -4.744 612 H LEU 80 H LEU 80 6.368 10.031 0.721 613 HA LEU 80 HA LEU 80 6.030 12.627 1.835 614 HB2 LEU 80 HB2 LEU 80 7.570 10.193 2.747 615 HB3 LEU 80 HB3 LEU 80 7.467 11.672 3.698 616 HG LEU 80 HG LEU 80 5.000 10.214 2.701 617 HD11 LEU 80 HD11 LEU 80 4.854 9.138 4.864 618 HD12 LEU 80 HD12 LEU 80 6.282 9.996 5.441 619 HD13 LEU 80 HD13 LEU 80 6.439 8.767 4.188 620 HD21 LEU 80 HD21 LEU 80 4.628 12.534 3.368 621 HD22 LEU 80 HD22 LEU 80 5.527 12.283 4.864 622 HD23 LEU 80 HD23 LEU 80 3.978 11.478 4.620 623 H GLY 81 H GLY 81 8.678 11.059 0.152 624 HA2 GLY 81 HA2 GLY 81 10.683 11.868 -0.630 625 HA3 GLY 81 HA3 GLY 81 10.049 13.485 -0.343 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 10.782 10.247 11.594 2 H2 MET 1 HT2 MET 1 11.857 11.532 11.882 3 H3 MET 1 HT3 MET 1 12.422 9.929 11.889 4 HA MET 1 HA MET 1 11.571 11.574 9.589 5 HB2 MET 1 HB2 MET 1 14.040 10.084 10.470 6 HB3 MET 1 HB3 MET 1 13.774 10.414 8.759 7 HG2 MET 1 HG2 MET 1 13.720 12.548 10.911 8 HG3 MET 1 HG3 MET 1 15.141 12.173 9.937 9 HE1 MET 1 HE1 MET 1 14.083 15.521 8.416 10 HE2 MET 1 HE2 MET 1 15.228 14.611 9.398 11 HE3 MET 1 HE3 MET 1 13.687 15.110 10.089 12 H ALA 2 H ALA 2 11.461 10.434 7.534 13 HA ALA 2 HA ALA 2 9.759 8.170 7.622 14 HB1 ALA 2 HB1 ALA 2 9.777 8.260 5.247 15 HB2 ALA 2 HB2 ALA 2 11.348 9.062 5.215 16 HB3 ALA 2 HB3 ALA 2 9.924 9.934 5.782 17 H SER 3 H SER 3 10.128 6.025 6.963 18 HA SER 3 HA SER 3 12.732 5.077 6.280 19 HB2 SER 3 HB2 SER 3 12.889 5.360 8.799 20 HB3 SER 3 HB3 SER 3 11.640 4.125 8.937 21 HG SER 3 HG SER 3 14.255 3.816 8.548 22 H ARG 4 H ARG 4 12.558 3.072 5.261 23 HA ARG 4 HA ARG 4 10.079 2.282 4.277 24 HB2 ARG 4 HB2 ARG 4 12.328 1.690 3.322 25 HB3 ARG 4 HB3 ARG 4 12.501 0.495 4.606 26 HG2 ARG 4 HG2 ARG 4 10.517 -0.690 3.836 27 HG3 ARG 4 HG3 ARG 4 10.208 0.553 2.623 28 HD2 ARG 4 HD2 ARG 4 12.362 0.024 1.536 29 HD3 ARG 4 HD3 ARG 4 12.657 -1.228 2.738 30 HE ARG 4 HE ARG 4 11.125 -2.595 1.637 31 HH11 ARG 4 HH11 ARG 4 10.861 0.682 0.415 32 HH12 ARG 4 HH12 ARG 4 9.825 0.229 -0.900 33 HH21 ARG 4 HH21 ARG 4 9.780 -3.136 -0.086 34 HH22 ARG 4 HH22 ARG 4 9.219 -1.914 -1.178 35 H GLU 5 H GLU 5 11.842 1.168 7.122 36 HA GLU 5 HA GLU 5 10.275 -1.077 7.754 37 HB2 GLU 5 HB2 GLU 5 11.188 -0.816 10.045 38 HB3 GLU 5 HB3 GLU 5 12.435 -0.713 8.808 39 HG2 GLU 5 HG2 GLU 5 12.179 1.808 8.919 40 HG3 GLU 5 HG3 GLU 5 11.179 1.589 10.337 41 H GLU 6 H GLU 6 9.953 2.322 8.870 42 HA GLU 6 HA GLU 6 7.797 1.725 10.570 43 HB2 GLU 6 HB2 GLU 6 7.421 4.125 10.758 44 HB3 GLU 6 HB3 GLU 6 9.133 3.745 10.887 45 HG2 GLU 6 HG2 GLU 6 9.603 4.594 8.746 46 HG3 GLU 6 HG3 GLU 6 7.918 4.518 8.237 47 H ILE 7 H ILE 7 7.902 2.507 7.152 48 HA ILE 7 HA ILE 7 5.100 3.094 6.899 49 HB ILE 7 HB ILE 7 7.016 2.068 4.785 50 HG12 ILE 7 HG12 ILE 7 7.850 4.168 5.751 51 HG13 ILE 7 HG13 ILE 7 7.241 4.460 4.134 52 HG21 ILE 7 HG21 ILE 7 5.411 3.048 3.200 53 HG22 ILE 7 HG22 ILE 7 4.368 3.528 4.537 54 HG23 ILE 7 HG23 ILE 7 4.632 1.818 4.193 55 HD11 ILE 7 HD11 ILE 7 5.009 5.093 5.421 56 HD12 ILE 7 HD12 ILE 7 6.322 6.261 5.299 57 HD13 ILE 7 HD13 ILE 7 6.107 5.329 6.779 58 H PHE 8 H PHE 8 7.001 0.156 6.110 59 HA PHE 8 HA PHE 8 4.912 -1.501 5.416 60 HB2 PHE 8 HB2 PHE 8 7.295 -2.070 5.139 61 HB3 PHE 8 HB3 PHE 8 7.457 -2.257 6.881 62 HD1 PHE 8 HD1 PHE 8 5.735 -3.611 3.865 63 HD2 PHE 8 HD2 PHE 8 6.807 -4.284 7.970 64 HE1 PHE 8 HE1 PHE 8 4.985 -5.965 3.675 65 HE2 PHE 8 HE2 PHE 8 6.058 -6.640 7.777 66 HZ PHE 8 HZ PHE 8 5.147 -7.481 5.631 67 H SER 9 H SER 9 6.282 -1.054 8.699 68 HA SER 9 HA SER 9 4.621 -2.900 10.016 69 HB2 SER 9 HB2 SER 9 6.621 -1.957 11.057 70 HB3 SER 9 HB3 SER 9 5.877 -0.361 11.078 71 HG SER 9 HG SER 9 4.556 -0.982 12.649 72 H LYS 10 H LYS 10 4.204 0.615 9.557 73 HA LYS 10 HA LYS 10 1.751 0.831 10.958 74 HB2 LYS 10 HB2 LYS 10 3.008 2.532 8.803 75 HB3 LYS 10 HB3 LYS 10 1.522 2.968 9.646 76 HG2 LYS 10 HG2 LYS 10 2.683 2.946 11.792 77 HG3 LYS 10 HG3 LYS 10 4.165 2.390 11.019 78 HD2 LYS 10 HD2 LYS 10 4.233 4.469 9.672 79 HD3 LYS 10 HD3 LYS 10 2.768 5.028 10.478 80 HE2 LYS 10 HE2 LYS 10 3.918 4.982 12.647 81 HE3 LYS 10 HE3 LYS 10 5.381 4.373 11.871 82 HZ1 LYS 10 HZ1 LYS 10 5.655 6.373 10.689 83 HZ2 LYS 10 HZ2 LYS 10 5.287 6.840 12.281 84 HZ3 LYS 10 HZ3 LYS 10 4.095 6.919 11.074 85 H VAL 11 H VAL 11 2.512 0.264 7.575 86 HA VAL 11 HA VAL 11 -0.093 0.451 6.530 87 HB VAL 11 HB VAL 11 2.385 -1.005 5.574 88 HG11 VAL 11 HG11 VAL 11 0.580 -2.204 4.526 89 HG12 VAL 11 HG12 VAL 11 1.158 -1.046 3.329 90 HG13 VAL 11 HG13 VAL 11 -0.322 -0.717 4.229 91 HG21 VAL 11 HG21 VAL 11 2.707 0.868 4.174 92 HG22 VAL 11 HG22 VAL 11 2.164 1.586 5.689 93 HG23 VAL 11 HG23 VAL 11 1.037 1.405 4.347 94 H LYS 12 H LYS 12 1.772 -2.291 7.780 95 HA LYS 12 HA LYS 12 -0.199 -4.269 7.326 96 HB2 LYS 12 HB2 LYS 12 2.169 -4.803 7.860 97 HB3 LYS 12 HB3 LYS 12 1.901 -4.225 9.502 98 HG2 LYS 12 HG2 LYS 12 -0.144 -6.194 8.713 99 HG3 LYS 12 HG3 LYS 12 1.479 -6.848 8.545 100 HD2 LYS 12 HD2 LYS 12 1.970 -6.574 10.827 101 HD3 LYS 12 HD3 LYS 12 0.692 -5.388 11.061 102 HE2 LYS 12 HE2 LYS 12 -0.789 -7.000 11.614 103 HE3 LYS 12 HE3 LYS 12 -0.436 -7.937 10.159 104 HZ1 LYS 12 HZ1 LYS 12 0.124 -8.807 12.587 105 HZ2 LYS 12 HZ2 LYS 12 1.567 -7.949 12.299 106 HZ3 LYS 12 HZ3 LYS 12 1.089 -9.193 11.251 107 H SER 13 H SER 13 0.369 -2.021 10.007 108 HA SER 13 HA SER 13 -1.363 -3.154 11.880 109 HB2 SER 13 HB2 SER 13 0.194 -1.348 12.429 110 HB3 SER 13 HB3 SER 13 -0.719 -0.233 11.416 111 HG SER 13 HG SER 13 -1.224 -1.148 13.947 112 H ILE 14 H ILE 14 -2.094 -0.815 9.266 113 HA ILE 14 HA ILE 14 -4.837 -0.526 10.052 114 HB ILE 14 HB ILE 14 -3.529 0.100 7.390 115 HG12 ILE 14 HG12 ILE 14 -2.384 1.328 9.173 116 HG13 ILE 14 HG13 ILE 14 -3.382 2.442 8.249 117 HG21 ILE 14 HG21 ILE 14 -5.983 1.438 8.526 118 HG22 ILE 14 HG22 ILE 14 -6.110 -0.035 7.573 119 HG23 ILE 14 HG23 ILE 14 -5.410 1.412 6.859 120 HD11 ILE 14 HD11 ILE 14 -3.967 3.109 10.385 121 HD12 ILE 14 HD12 ILE 14 -3.687 1.514 11.077 122 HD13 ILE 14 HD13 ILE 14 -5.164 1.832 10.170 123 H ILE 15 H ILE 15 -3.218 -2.304 7.396 124 HA ILE 15 HA ILE 15 -5.522 -3.437 6.282 125 HB ILE 15 HB ILE 15 -2.648 -4.413 6.328 126 HG12 ILE 15 HG12 ILE 15 -4.187 -3.056 4.096 127 HG13 ILE 15 HG13 ILE 15 -3.270 -2.142 5.291 128 HG21 ILE 15 HG21 ILE 15 -4.226 -6.270 5.775 129 HG22 ILE 15 HG22 ILE 15 -3.254 -5.801 4.380 130 HG23 ILE 15 HG23 ILE 15 -4.931 -5.271 4.504 131 HD11 ILE 15 HD11 ILE 15 -1.962 -2.607 3.208 132 HD12 ILE 15 HD12 ILE 15 -2.099 -4.332 3.546 133 HD13 ILE 15 HD13 ILE 15 -1.214 -3.285 4.652 134 H SER 16 H SER 16 -3.307 -4.733 8.713 135 HA SER 16 HA SER 16 -4.563 -7.222 9.064 136 HB2 SER 16 HB2 SER 16 -2.261 -6.828 9.744 137 HB3 SER 16 HB3 SER 16 -2.793 -5.655 10.946 138 HG SER 16 HG SER 16 -2.752 -8.377 11.045 139 H GLU 17 H GLU 17 -4.973 -4.140 10.778 140 HA GLU 17 HA GLU 17 -6.731 -5.280 12.757 141 HB2 GLU 17 HB2 GLU 17 -6.951 -3.077 13.647 142 HB3 GLU 17 HB3 GLU 17 -5.278 -3.247 13.126 143 HG2 GLU 17 HG2 GLU 17 -5.894 -2.086 10.986 144 HG3 GLU 17 HG3 GLU 17 -7.499 -1.820 11.636 145 H LYS 18 H LYS 18 -7.168 -3.801 9.625 146 HA LYS 18 HA LYS 18 -10.036 -3.441 9.965 147 HB2 LYS 18 HB2 LYS 18 -8.254 -3.080 7.547 148 HB3 LYS 18 HB3 LYS 18 -9.958 -2.641 7.619 149 HG2 LYS 18 HG2 LYS 18 -8.015 -1.547 9.655 150 HG3 LYS 18 HG3 LYS 18 -8.149 -0.799 8.070 151 HD2 LYS 18 HD2 LYS 18 -10.396 -0.181 8.402 152 HD3 LYS 18 HD3 LYS 18 -10.612 -1.321 9.732 153 HE2 LYS 18 HE2 LYS 18 -10.435 1.003 10.565 154 HE3 LYS 18 HE3 LYS 18 -9.096 0.014 11.142 155 HZ1 LYS 18 HZ1 LYS 18 -7.643 1.306 10.100 156 HZ2 LYS 18 HZ2 LYS 18 -8.909 2.400 9.807 157 HZ3 LYS 18 HZ3 LYS 18 -8.497 1.242 8.634 158 H LEU 19 H LEU 19 -7.849 -5.777 8.544 159 HA LEU 19 HA LEU 19 -10.123 -7.230 7.341 160 HB2 LEU 19 HB2 LEU 19 -7.152 -7.605 6.886 161 HB3 LEU 19 HB3 LEU 19 -8.444 -8.455 6.043 162 HG LEU 19 HG LEU 19 -8.034 -5.447 5.981 163 HD11 LEU 19 HD11 LEU 19 -7.090 -5.738 3.796 164 HD12 LEU 19 HD12 LEU 19 -7.513 -7.450 3.771 165 HD13 LEU 19 HD13 LEU 19 -6.249 -6.870 4.855 166 HD21 LEU 19 HD21 LEU 19 -10.362 -6.014 5.564 167 HD22 LEU 19 HD22 LEU 19 -9.897 -7.320 4.473 168 HD23 LEU 19 HD23 LEU 19 -9.619 -5.641 4.010 169 H GLY 20 H GLY 20 -7.908 -7.347 9.976 170 HA2 GLY 20 HA2 GLY 20 -7.646 -8.888 11.684 171 HA3 GLY 20 HA3 GLY 20 -9.035 -9.758 11.031 172 H VAL 21 H VAL 21 -5.991 -8.896 9.440 173 HA VAL 21 HA VAL 21 -5.364 -11.783 9.122 174 HB VAL 21 HB VAL 21 -4.936 -9.652 7.014 175 HG11 VAL 21 HG11 VAL 21 -4.527 -11.654 5.577 176 HG12 VAL 21 HG12 VAL 21 -4.664 -12.670 7.009 177 HG13 VAL 21 HG13 VAL 21 -3.355 -11.496 6.885 178 HG21 VAL 21 HG21 VAL 21 -6.769 -10.871 5.783 179 HG22 VAL 21 HG22 VAL 21 -7.338 -10.043 7.232 180 HG23 VAL 21 HG23 VAL 21 -7.088 -11.789 7.256 181 H ASP 22 H ASP 22 -3.214 -12.378 9.296 182 HA ASP 22 HA ASP 22 -1.448 -10.342 10.409 183 HB2 ASP 22 HB2 ASP 22 -1.622 -13.293 10.575 184 HB3 ASP 22 HB3 ASP 22 -0.006 -12.596 10.674 185 H GLU 23 H GLU 23 0.717 -10.250 9.941 186 HA GLU 23 HA GLU 23 1.527 -9.390 7.547 187 HB2 GLU 23 HB2 GLU 23 3.076 -10.820 9.685 188 HB3 GLU 23 HB3 GLU 23 3.891 -10.294 8.211 189 HG2 GLU 23 HG2 GLU 23 3.293 -8.012 8.587 190 HG3 GLU 23 HG3 GLU 23 2.183 -8.453 9.872 191 H SER 24 H SER 24 1.199 -12.832 8.278 192 HA SER 24 HA SER 24 2.835 -13.928 6.319 193 HB2 SER 24 HB2 SER 24 0.140 -14.880 7.309 194 HB3 SER 24 HB3 SER 24 1.231 -15.849 6.323 195 HG SER 24 HG SER 24 2.764 -15.711 7.959 196 H GLN 25 H GLN 25 -0.441 -12.617 6.026 197 HA GLN 25 HA GLN 25 -0.633 -13.268 3.198 198 HB2 GLN 25 HB2 GLN 25 -2.381 -11.663 5.049 199 HB3 GLN 25 HB3 GLN 25 -2.747 -11.940 3.351 200 HG2 GLN 25 HG2 GLN 25 -2.233 -14.189 5.303 201 HG3 GLN 25 HG3 GLN 25 -3.848 -13.573 4.960 202 HE21 GLN 25 HE21 GLN 25 -3.951 -13.223 2.250 203 HE22 GLN 25 HE22 GLN 25 -3.576 -14.670 1.434 204 H VAL 26 H VAL 26 0.550 -10.625 5.113 205 HA VAL 26 HA VAL 26 0.279 -8.662 2.973 206 HB VAL 26 HB VAL 26 1.639 -8.468 5.687 207 HG11 VAL 26 HG11 VAL 26 1.742 -6.102 5.334 208 HG12 VAL 26 HG12 VAL 26 0.778 -6.211 3.862 209 HG13 VAL 26 HG13 VAL 26 2.425 -6.845 3.888 210 HG21 VAL 26 HG21 VAL 26 -1.089 -7.557 4.713 211 HG22 VAL 26 HG22 VAL 26 -0.391 -7.134 6.277 212 HG23 VAL 26 HG23 VAL 26 -0.770 -8.817 5.907 213 H THR 27 H THR 27 1.720 -8.415 1.404 214 HA THR 27 HA THR 27 4.568 -8.884 1.919 215 HB THR 27 HB THR 27 3.371 -10.154 -0.538 216 HG1 THR 27 HG1 THR 27 3.915 -11.444 1.909 217 HG21 THR 27 HG21 THR 27 5.906 -10.659 1.040 218 HG22 THR 27 HG22 THR 27 5.805 -9.736 -0.459 219 HG23 THR 27 HG23 THR 27 5.447 -11.462 -0.462 220 H GLU 28 H GLU 28 5.920 -7.883 0.394 221 HA GLU 28 HA GLU 28 4.973 -5.452 -0.667 222 HB2 GLU 28 HB2 GLU 28 7.467 -7.066 -1.237 223 HB3 GLU 28 HB3 GLU 28 7.177 -5.464 -1.916 224 HG2 GLU 28 HG2 GLU 28 7.062 -4.474 0.285 225 HG3 GLU 28 HG3 GLU 28 7.100 -6.056 1.053 226 H GLU 29 H GLU 29 5.102 -8.708 -1.935 227 HA GLU 29 HA GLU 29 4.313 -7.762 -4.622 228 HB2 GLU 29 HB2 GLU 29 5.303 -10.477 -3.727 229 HB3 GLU 29 HB3 GLU 29 4.858 -10.050 -5.378 230 HG2 GLU 29 HG2 GLU 29 6.582 -8.259 -5.348 231 HG3 GLU 29 HG3 GLU 29 7.062 -8.773 -3.733 232 H ALA 30 H ALA 30 2.852 -8.805 -1.814 233 HA ALA 30 HA ALA 30 0.850 -10.537 -2.979 234 HB1 ALA 30 HB1 ALA 30 1.145 -9.258 -0.258 235 HB2 ALA 30 HB2 ALA 30 1.370 -10.955 -0.686 236 HB3 ALA 30 HB3 ALA 30 -0.246 -10.246 -0.707 237 H LYS 31 H LYS 31 -1.153 -10.008 -3.640 238 HA LYS 31 HA LYS 31 -1.747 -7.202 -4.115 239 HB2 LYS 31 HB2 LYS 31 -3.305 -9.717 -4.716 240 HB3 LYS 31 HB3 LYS 31 -3.761 -8.102 -5.244 241 HG2 LYS 31 HG2 LYS 31 -1.040 -9.219 -5.926 242 HG3 LYS 31 HG3 LYS 31 -2.450 -9.651 -6.894 243 HD2 LYS 31 HD2 LYS 31 -2.917 -7.143 -7.086 244 HD3 LYS 31 HD3 LYS 31 -1.301 -6.891 -6.427 245 HE2 LYS 31 HE2 LYS 31 -1.184 -6.853 -8.864 246 HE3 LYS 31 HE3 LYS 31 -0.375 -8.303 -8.267 247 HZ1 LYS 31 HZ1 LYS 31 -3.211 -8.629 -8.770 248 HZ2 LYS 31 HZ2 LYS 31 -1.903 -9.633 -9.188 249 HZ3 LYS 31 HZ3 LYS 31 -2.287 -8.293 -10.155 250 H LEU 32 H LEU 32 -3.117 -5.980 -2.933 251 HA LEU 32 HA LEU 32 -4.045 -6.857 -0.409 252 HB2 LEU 32 HB2 LEU 32 -4.698 -4.459 -2.117 253 HB3 LEU 32 HB3 LEU 32 -5.409 -4.701 -0.522 254 HG LEU 32 HG LEU 32 -2.404 -4.819 -0.947 255 HD11 LEU 32 HD11 LEU 32 -2.251 -2.482 -0.412 256 HD12 LEU 32 HD12 LEU 32 -3.973 -2.379 -0.052 257 HD13 LEU 32 HD13 LEU 32 -3.431 -2.603 -1.714 258 HD21 LEU 32 HD21 LEU 32 -4.278 -4.466 1.413 259 HD22 LEU 32 HD22 LEU 32 -2.562 -4.075 1.515 260 HD23 LEU 32 HD23 LEU 32 -3.069 -5.724 1.159 261 H ILE 33 H ILE 33 -5.637 -6.616 -3.571 262 HA ILE 33 HA ILE 33 -8.171 -7.491 -2.441 263 HB ILE 33 HB ILE 33 -8.110 -5.730 -4.168 264 HG12 ILE 33 HG12 ILE 33 -9.484 -8.194 -5.265 265 HG13 ILE 33 HG13 ILE 33 -10.062 -7.355 -3.826 266 HG21 ILE 33 HG21 ILE 33 -6.171 -6.773 -5.438 267 HG22 ILE 33 HG22 ILE 33 -7.499 -6.191 -6.441 268 HG23 ILE 33 HG23 ILE 33 -7.332 -7.916 -6.112 269 HD11 ILE 33 HD11 ILE 33 -10.049 -5.221 -5.256 270 HD12 ILE 33 HD12 ILE 33 -11.296 -6.411 -5.631 271 HD13 ILE 33 HD13 ILE 33 -9.861 -6.287 -6.649 272 H ASP 34 H ASP 34 -5.811 -8.805 -4.796 273 HA ASP 34 HA ASP 34 -7.302 -11.264 -5.071 274 HB2 ASP 34 HB2 ASP 34 -4.563 -10.517 -6.096 275 HB3 ASP 34 HB3 ASP 34 -5.475 -11.945 -6.563 276 H ASP 35 H ASP 35 -4.435 -10.282 -3.241 277 HA ASP 35 HA ASP 35 -3.976 -13.076 -2.444 278 HB2 ASP 35 HB2 ASP 35 -2.103 -11.582 -3.265 279 HB3 ASP 35 HB3 ASP 35 -2.262 -10.711 -1.740 280 H LEU 36 H LEU 36 -5.333 -10.149 -1.180 281 HA LEU 36 HA LEU 36 -5.316 -11.347 1.530 282 HB2 LEU 36 HB2 LEU 36 -4.935 -8.567 0.584 283 HB3 LEU 36 HB3 LEU 36 -5.949 -8.746 2.009 284 HG LEU 36 HG LEU 36 -3.246 -10.098 1.812 285 HD11 LEU 36 HD11 LEU 36 -2.731 -7.771 1.482 286 HD12 LEU 36 HD12 LEU 36 -2.419 -8.123 3.181 287 HD13 LEU 36 HD13 LEU 36 -3.893 -7.277 2.713 288 HD21 LEU 36 HD21 LEU 36 -4.980 -9.173 4.128 289 HD22 LEU 36 HD22 LEU 36 -3.425 -9.990 4.282 290 HD23 LEU 36 HD23 LEU 36 -4.802 -10.839 3.578 291 H GLY 37 H GLY 37 -7.268 -10.249 -1.120 292 HA2 GLY 37 HA2 GLY 37 -9.530 -10.704 -1.454 293 HA3 GLY 37 HA3 GLY 37 -9.644 -11.250 0.212 294 H ALA 38 H ALA 38 -8.259 -8.114 -0.438 295 HA ALA 38 HA ALA 38 -10.609 -6.853 0.824 296 HB1 ALA 38 HB1 ALA 38 -7.717 -6.118 0.564 297 HB2 ALA 38 HB2 ALA 38 -8.759 -6.077 1.987 298 HB3 ALA 38 HB3 ALA 38 -8.906 -4.829 0.748 299 H ASP 39 H ASP 39 -12.098 -6.361 -0.689 300 HA ASP 39 HA ASP 39 -11.526 -5.836 -3.397 301 HB2 ASP 39 HB2 ASP 39 -13.867 -5.224 -3.603 302 HB3 ASP 39 HB3 ASP 39 -13.707 -6.641 -2.578 303 H SER 40 H SER 40 -12.403 -3.790 -4.486 304 HA SER 40 HA SER 40 -10.682 -1.699 -4.082 305 HB2 SER 40 HB2 SER 40 -12.214 -0.323 -5.431 306 HB3 SER 40 HB3 SER 40 -12.040 -1.943 -6.103 307 HG SER 40 HG SER 40 -14.002 -2.493 -5.093 308 H LEU 41 H LEU 41 -13.914 -2.070 -2.630 309 HA LEU 41 HA LEU 41 -14.024 0.488 -1.404 310 HB2 LEU 41 HB2 LEU 41 -15.999 -0.994 -1.613 311 HB3 LEU 41 HB3 LEU 41 -15.262 -2.134 -0.494 312 HG LEU 41 HG LEU 41 -15.247 -0.326 1.252 313 HD11 LEU 41 HD11 LEU 41 -15.294 1.664 -0.128 314 HD12 LEU 41 HD12 LEU 41 -16.780 1.633 0.822 315 HD13 LEU 41 HD13 LEU 41 -16.810 1.165 -0.877 316 HD21 LEU 41 HD21 LEU 41 -17.072 -2.023 1.065 317 HD22 LEU 41 HD22 LEU 41 -17.981 -0.890 0.066 318 HD23 LEU 41 HD23 LEU 41 -17.627 -0.496 1.748 319 H ASP 42 H ASP 42 -12.929 -2.663 -0.256 320 HA ASP 42 HA ASP 42 -12.108 -1.932 2.332 321 HB2 ASP 42 HB2 ASP 42 -11.072 -4.085 0.470 322 HB3 ASP 42 HB3 ASP 42 -10.556 -3.925 2.141 323 H LEU 43 H LEU 43 -10.377 -1.953 -0.749 324 HA LEU 43 HA LEU 43 -7.829 -1.245 0.193 325 HB2 LEU 43 HB2 LEU 43 -8.293 -2.174 -2.053 326 HB3 LEU 43 HB3 LEU 43 -9.107 -0.681 -2.497 327 HG LEU 43 HG LEU 43 -6.963 0.559 -2.070 328 HD11 LEU 43 HD11 LEU 43 -5.883 -2.257 -1.734 329 HD12 LEU 43 HD12 LEU 43 -5.851 -0.961 -0.538 330 HD13 LEU 43 HD13 LEU 43 -4.869 -0.838 -1.998 331 HD21 LEU 43 HD21 LEU 43 -7.528 -0.061 -4.345 332 HD22 LEU 43 HD22 LEU 43 -6.926 -1.699 -4.092 333 HD23 LEU 43 HD23 LEU 43 -5.803 -0.340 -4.113 334 H VAL 44 H VAL 44 -10.549 0.764 -0.942 335 HA VAL 44 HA VAL 44 -9.211 3.233 -0.895 336 HB VAL 44 HB VAL 44 -12.143 2.534 -0.584 337 HG11 VAL 44 HG11 VAL 44 -11.894 4.729 0.411 338 HG12 VAL 44 HG12 VAL 44 -12.544 4.952 -1.214 339 HG13 VAL 44 HG13 VAL 44 -10.835 5.257 -0.897 340 HG21 VAL 44 HG21 VAL 44 -10.737 3.828 -2.929 341 HG22 VAL 44 HG22 VAL 44 -12.296 3.006 -2.905 342 HG23 VAL 44 HG23 VAL 44 -10.807 2.076 -2.750 343 H ASP 45 H ASP 45 -11.124 1.610 1.638 344 HA ASP 45 HA ASP 45 -10.950 3.645 3.571 345 HB2 ASP 45 HB2 ASP 45 -12.480 1.700 3.716 346 HB3 ASP 45 HB3 ASP 45 -11.095 0.657 4.033 347 H LEU 46 H LEU 46 -8.850 0.880 2.907 348 HA LEU 46 HA LEU 46 -7.079 1.203 5.093 349 HB2 LEU 46 HB2 LEU 46 -6.682 -0.035 2.359 350 HB3 LEU 46 HB3 LEU 46 -5.510 -0.152 3.669 351 HG LEU 46 HG LEU 46 -8.397 -1.020 3.960 352 HD11 LEU 46 HD11 LEU 46 -7.509 -2.463 2.283 353 HD12 LEU 46 HD12 LEU 46 -7.359 -3.359 3.793 354 HD13 LEU 46 HD13 LEU 46 -5.947 -2.567 3.094 355 HD21 LEU 46 HD21 LEU 46 -7.431 -0.658 6.098 356 HD22 LEU 46 HD22 LEU 46 -5.882 -1.343 5.609 357 HD23 LEU 46 HD23 LEU 46 -7.282 -2.394 5.834 358 H VAL 47 H VAL 47 -6.719 2.265 1.676 359 HA VAL 47 HA VAL 47 -4.258 3.547 2.061 360 HB VAL 47 HB VAL 47 -5.078 2.975 -0.175 361 HG11 VAL 47 HG11 VAL 47 -6.828 4.349 -1.238 362 HG12 VAL 47 HG12 VAL 47 -7.055 5.238 0.268 363 HG13 VAL 47 HG13 VAL 47 -7.455 3.526 0.183 364 HG21 VAL 47 HG21 VAL 47 -4.290 4.928 -1.316 365 HG22 VAL 47 HG22 VAL 47 -3.421 4.867 0.218 366 HG23 VAL 47 HG23 VAL 47 -4.771 5.983 0.014 367 H MET 48 H MET 48 -7.590 4.813 2.394 368 HA MET 48 HA MET 48 -6.904 7.507 2.801 369 HB2 MET 48 HB2 MET 48 -9.208 5.844 3.835 370 HB3 MET 48 HB3 MET 48 -9.071 7.576 4.136 371 HG2 MET 48 HG2 MET 48 -9.001 6.350 1.367 372 HG3 MET 48 HG3 MET 48 -10.465 6.986 2.113 373 HE1 MET 48 HE1 MET 48 -9.952 9.698 -0.380 374 HE2 MET 48 HE2 MET 48 -10.593 8.094 -0.034 375 HE3 MET 48 HE3 MET 48 -9.010 8.257 -0.788 376 H ASP 49 H ASP 49 -7.127 4.778 5.069 377 HA ASP 49 HA ASP 49 -6.697 6.124 7.466 378 HB2 ASP 49 HB2 ASP 49 -7.066 3.589 7.079 379 HB3 ASP 49 HB3 ASP 49 -5.310 3.502 6.905 380 H PHE 50 H PHE 50 -4.383 5.114 4.991 381 HA PHE 50 HA PHE 50 -2.039 6.074 6.407 382 HB2 PHE 50 HB2 PHE 50 -2.267 5.691 3.414 383 HB3 PHE 50 HB3 PHE 50 -0.811 5.657 4.391 384 HD1 PHE 50 HD1 PHE 50 -2.051 3.577 2.379 385 HD2 PHE 50 HD2 PHE 50 -1.963 3.829 6.671 386 HE1 PHE 50 HE1 PHE 50 -2.282 1.120 2.527 387 HE2 PHE 50 HE2 PHE 50 -2.193 1.367 6.809 388 HZ PHE 50 HZ PHE 50 -2.361 0.019 4.736 389 H GLU 51 H GLU 51 -4.358 7.380 4.134 390 HA GLU 51 HA GLU 51 -3.030 9.656 3.188 391 HB2 GLU 51 HB2 GLU 51 -5.217 8.693 2.360 392 HB3 GLU 51 HB3 GLU 51 -5.995 9.433 3.754 393 HG2 GLU 51 HG2 GLU 51 -5.105 11.651 3.012 394 HG3 GLU 51 HG3 GLU 51 -4.505 10.867 1.550 395 H SER 52 H SER 52 -5.052 9.215 6.091 396 HA SER 52 HA SER 52 -4.726 11.989 6.895 397 HB2 SER 52 HB2 SER 52 -6.038 9.636 8.267 398 HB3 SER 52 HB3 SER 52 -6.047 11.287 8.883 399 HG SER 52 HG SER 52 -7.048 10.408 6.370 400 H GLU 53 H GLU 53 -3.637 8.815 8.013 401 HA GLU 53 HA GLU 53 -2.293 9.645 10.333 402 HB2 GLU 53 HB2 GLU 53 -1.808 7.298 8.500 403 HB3 GLU 53 HB3 GLU 53 -0.904 7.539 9.994 404 HG2 GLU 53 HG2 GLU 53 -3.929 7.363 9.814 405 HG3 GLU 53 HG3 GLU 53 -2.874 6.040 10.307 406 H PHE 54 H PHE 54 -0.994 9.256 7.011 407 HA PHE 54 HA PHE 54 1.573 10.330 7.841 408 HB2 PHE 54 HB2 PHE 54 0.484 9.422 5.178 409 HB3 PHE 54 HB3 PHE 54 2.093 10.114 5.364 410 HD1 PHE 54 HD1 PHE 54 -0.064 7.226 6.093 411 HD2 PHE 54 HD2 PHE 54 3.828 8.953 6.665 412 HE1 PHE 54 HE1 PHE 54 0.796 5.032 6.865 413 HE2 PHE 54 HE2 PHE 54 4.688 6.759 7.436 414 HZ PHE 54 HZ PHE 54 3.172 4.799 7.536 415 H GLY 55 H GLY 55 -1.328 11.814 7.134 416 HA2 GLY 55 HA2 GLY 55 -1.900 13.993 6.649 417 HA3 GLY 55 HA3 GLY 55 -0.238 14.407 7.054 418 H VAL 56 H VAL 56 -1.268 12.223 4.483 419 HA VAL 56 HA VAL 56 -0.393 14.201 2.466 420 HB VAL 56 HB VAL 56 0.694 12.370 1.196 421 HG11 VAL 56 HG11 VAL 56 2.699 12.378 2.450 422 HG12 VAL 56 HG12 VAL 56 1.841 12.452 3.986 423 HG13 VAL 56 HG13 VAL 56 1.877 13.863 2.928 424 HG21 VAL 56 HG21 VAL 56 -0.055 10.769 3.655 425 HG22 VAL 56 HG22 VAL 56 1.231 10.265 2.558 426 HG23 VAL 56 HG23 VAL 56 -0.426 10.403 1.970 427 H LYS 57 H LYS 57 -1.274 13.949 0.391 428 HA LYS 57 HA LYS 57 -3.879 12.554 0.369 429 HB2 LYS 57 HB2 LYS 57 -3.966 15.016 0.069 430 HB3 LYS 57 HB3 LYS 57 -2.918 14.874 -1.338 431 HG2 LYS 57 HG2 LYS 57 -5.199 15.042 -2.131 432 HG3 LYS 57 HG3 LYS 57 -4.663 13.386 -2.397 433 HD2 LYS 57 HD2 LYS 57 -5.816 12.664 -0.352 434 HD3 LYS 57 HD3 LYS 57 -6.315 14.322 -0.029 435 HE2 LYS 57 HE2 LYS 57 -7.601 14.356 -2.123 436 HE3 LYS 57 HE3 LYS 57 -7.080 12.709 -2.479 437 HZ1 LYS 57 HZ1 LYS 57 -8.089 12.095 -0.275 438 HZ2 LYS 57 HZ2 LYS 57 -9.192 12.531 -1.495 439 HZ3 LYS 57 HZ3 LYS 57 -8.808 13.632 -0.258 440 H VAL 58 H VAL 58 -4.405 11.133 -1.291 441 HA VAL 58 HA VAL 58 -2.148 10.368 -3.039 442 HB VAL 58 HB VAL 58 -3.244 8.161 -3.223 443 HG11 VAL 58 HG11 VAL 58 -1.579 8.841 -1.366 444 HG12 VAL 58 HG12 VAL 58 -2.526 7.380 -1.096 445 HG13 VAL 58 HG13 VAL 58 -2.974 8.887 -0.293 446 HG21 VAL 58 HG21 VAL 58 -5.580 8.945 -2.794 447 HG22 VAL 58 HG22 VAL 58 -5.152 9.245 -1.110 448 HG23 VAL 58 HG23 VAL 58 -5.127 7.601 -1.745 449 H ASP 59 H ASP 59 -2.407 10.000 -5.141 450 HA ASP 59 HA ASP 59 -4.555 11.401 -6.498 451 HB2 ASP 59 HB2 ASP 59 -2.122 11.475 -7.204 452 HB3 ASP 59 HB3 ASP 59 -2.302 9.804 -7.700 453 H ASP 60 H ASP 60 -6.223 10.511 -7.600 454 HA ASP 60 HA ASP 60 -7.124 7.900 -7.064 455 HB2 ASP 60 HB2 ASP 60 -7.731 9.745 -9.390 456 HB3 ASP 60 HB3 ASP 60 -8.559 8.214 -9.142 457 H ALA 61 H ALA 61 -5.094 9.223 -9.560 458 HA ALA 61 HA ALA 61 -4.824 6.904 -11.194 459 HB1 ALA 61 HB1 ALA 61 -3.267 8.113 -12.380 460 HB2 ALA 61 HB2 ALA 61 -2.584 8.843 -10.935 461 HB3 ALA 61 HB3 ALA 61 -4.108 9.438 -11.578 462 H ASP 62 H ASP 62 -3.067 8.159 -8.328 463 HA ASP 62 HA ASP 62 -0.978 6.257 -8.322 464 HB2 ASP 62 HB2 ASP 62 -2.248 7.793 -6.046 465 HB3 ASP 62 HB3 ASP 62 -0.903 6.695 -5.814 466 H LEU 63 H LEU 63 -4.265 6.198 -6.983 467 HA LEU 63 HA LEU 63 -4.062 3.808 -5.522 468 HB2 LEU 63 HB2 LEU 63 -6.417 4.983 -7.027 469 HB3 LEU 63 HB3 LEU 63 -6.540 3.605 -5.938 470 HG LEU 63 HG LEU 63 -5.405 6.286 -5.090 471 HD11 LEU 63 HD11 LEU 63 -7.838 6.351 -5.843 472 HD12 LEU 63 HD12 LEU 63 -7.550 6.834 -4.171 473 HD13 LEU 63 HD13 LEU 63 -8.187 5.228 -4.528 474 HD21 LEU 63 HD21 LEU 63 -4.732 4.424 -3.655 475 HD22 LEU 63 HD22 LEU 63 -6.398 3.852 -3.562 476 HD23 LEU 63 HD23 LEU 63 -5.946 5.384 -2.814 477 H GLU 64 H GLU 64 -4.828 4.370 -8.978 478 HA GLU 64 HA GLU 64 -5.210 1.647 -9.657 479 HB2 GLU 64 HB2 GLU 64 -4.426 4.072 -11.282 480 HB3 GLU 64 HB3 GLU 64 -4.725 2.486 -11.996 481 HG2 GLU 64 HG2 GLU 64 -7.000 2.469 -11.178 482 HG3 GLU 64 HG3 GLU 64 -6.724 3.931 -10.239 483 H LYS 65 H LYS 65 -2.370 3.682 -9.358 484 HA LYS 65 HA LYS 65 -0.526 1.874 -10.655 485 HB2 LYS 65 HB2 LYS 65 -0.040 4.221 -8.798 486 HB3 LYS 65 HB3 LYS 65 1.208 3.375 -9.706 487 HG2 LYS 65 HG2 LYS 65 0.319 4.100 -11.803 488 HG3 LYS 65 HG3 LYS 65 -1.174 4.655 -11.059 489 HD2 LYS 65 HD2 LYS 65 0.578 6.183 -9.658 490 HD3 LYS 65 HD3 LYS 65 1.524 5.951 -11.121 491 HE2 LYS 65 HE2 LYS 65 0.118 7.244 -12.399 492 HE3 LYS 65 HE3 LYS 65 -1.327 6.747 -11.517 493 HZ1 LYS 65 HZ1 LYS 65 -0.751 9.084 -11.087 494 HZ2 LYS 65 HZ2 LYS 65 0.760 8.592 -10.474 495 HZ3 LYS 65 HZ3 LYS 65 -0.667 8.142 -9.678 496 H ILE 66 H ILE 66 -2.040 1.908 -7.612 497 HA ILE 66 HA ILE 66 0.106 0.286 -6.364 498 HB ILE 66 HB ILE 66 -2.184 1.786 -5.061 499 HG12 ILE 66 HG12 ILE 66 0.796 2.303 -4.834 500 HG13 ILE 66 HG13 ILE 66 -0.216 3.110 -6.026 501 HG21 ILE 66 HG21 ILE 66 -1.861 0.520 -3.226 502 HG22 ILE 66 HG22 ILE 66 -0.165 0.990 -3.163 503 HG23 ILE 66 HG23 ILE 66 -0.653 -0.443 -4.060 504 HD11 ILE 66 HD11 ILE 66 -1.711 3.809 -4.063 505 HD12 ILE 66 HD12 ILE 66 -0.134 4.592 -4.159 506 HD13 ILE 66 HD13 ILE 66 -0.397 3.278 -3.012 507 H SER 67 H SER 67 -0.196 -1.839 -6.555 508 HA SER 67 HA SER 67 -2.955 -2.910 -6.412 509 HB2 SER 67 HB2 SER 67 -0.481 -4.052 -7.728 510 HB3 SER 67 HB3 SER 67 -2.024 -4.893 -7.602 511 HG SER 67 HG SER 67 -1.237 -2.970 -9.332 512 H THR 68 H THR 68 0.417 -3.761 -5.598 513 HA THR 68 HA THR 68 -0.525 -5.531 -3.466 514 HB THR 68 HB THR 68 1.841 -6.283 -3.364 515 HG1 THR 68 HG1 THR 68 2.163 -4.452 -5.505 516 HG21 THR 68 HG21 THR 68 1.887 -7.395 -5.528 517 HG22 THR 68 HG22 THR 68 0.769 -6.209 -6.200 518 HG23 THR 68 HG23 THR 68 0.222 -7.330 -4.953 519 H VAL 69 H VAL 69 0.767 -5.538 -1.433 520 HA VAL 69 HA VAL 69 0.568 -3.050 -0.109 521 HB VAL 69 HB VAL 69 2.165 -5.491 0.721 522 HG11 VAL 69 HG11 VAL 69 2.897 -3.660 2.062 523 HG12 VAL 69 HG12 VAL 69 1.711 -4.521 3.040 524 HG13 VAL 69 HG13 VAL 69 1.257 -3.030 2.220 525 HG21 VAL 69 HG21 VAL 69 -0.368 -5.734 0.266 526 HG22 VAL 69 HG22 VAL 69 -0.588 -4.704 1.679 527 HG23 VAL 69 HG23 VAL 69 0.222 -6.261 1.840 528 H GLY 70 H GLY 70 3.158 -4.548 -1.924 529 HA2 GLY 70 HA2 GLY 70 5.373 -3.092 -0.946 530 HA3 GLY 70 HA3 GLY 70 5.243 -3.765 -2.569 531 H ASP 71 H ASP 71 3.000 -2.375 -3.476 532 HA ASP 71 HA ASP 71 4.125 0.066 -4.353 533 HB2 ASP 71 HB2 ASP 71 1.310 -1.022 -4.444 534 HB3 ASP 71 HB3 ASP 71 1.774 0.506 -5.173 535 H ILE 72 H ILE 72 1.754 -0.752 -1.828 536 HA ILE 72 HA ILE 72 1.057 1.905 -1.080 537 HB ILE 72 HB ILE 72 1.097 -0.712 0.452 538 HG12 ILE 72 HG12 ILE 72 -0.518 -0.531 -1.430 539 HG13 ILE 72 HG13 ILE 72 -1.320 -0.686 0.125 540 HG21 ILE 72 HG21 ILE 72 1.305 1.115 2.093 541 HG22 ILE 72 HG22 ILE 72 -0.287 0.363 2.191 542 HG23 ILE 72 HG23 ILE 72 -0.095 1.920 1.385 543 HD11 ILE 72 HD11 ILE 72 -0.966 1.882 -1.468 544 HD12 ILE 72 HD12 ILE 72 -1.655 1.806 0.150 545 HD13 ILE 72 HD13 ILE 72 -2.473 1.012 -1.194 546 H VAL 73 H VAL 73 3.476 -0.358 0.193 547 HA VAL 73 HA VAL 73 4.571 1.287 2.167 548 HB VAL 73 HB VAL 73 5.758 -1.007 0.593 549 HG11 VAL 73 HG11 VAL 73 7.583 0.375 1.571 550 HG12 VAL 73 HG12 VAL 73 7.453 -1.192 2.370 551 HG13 VAL 73 HG13 VAL 73 6.811 0.252 3.152 552 HG21 VAL 73 HG21 VAL 73 4.695 -0.883 3.426 553 HG22 VAL 73 HG22 VAL 73 5.152 -2.326 2.522 554 HG23 VAL 73 HG23 VAL 73 3.733 -1.397 2.041 555 H SER 74 H SER 74 5.753 0.724 -1.162 556 HA SER 74 HA SER 74 7.912 2.552 -0.997 557 HB2 SER 74 HB2 SER 74 6.395 1.498 -3.397 558 HB3 SER 74 HB3 SER 74 7.886 2.427 -3.493 559 HG SER 74 HG SER 74 7.752 -0.111 -3.280 560 H TYR 75 H TYR 75 4.537 2.929 -1.965 561 HA TYR 75 HA TYR 75 4.699 5.442 -3.175 562 HB2 TYR 75 HB2 TYR 75 2.699 4.017 -3.316 563 HB3 TYR 75 HB3 TYR 75 2.405 4.254 -1.593 564 HD1 TYR 75 HD1 TYR 75 2.527 5.946 -4.896 565 HD2 TYR 75 HD2 TYR 75 1.453 6.290 -0.753 566 HE1 TYR 75 HE1 TYR 75 1.346 8.070 -5.378 567 HE2 TYR 75 HE2 TYR 75 0.268 8.408 -1.235 568 HH TYR 75 HH TYR 75 0.100 10.108 -2.821 569 H ILE 76 H ILE 76 4.007 4.619 0.229 570 HA ILE 76 HA ILE 76 3.819 7.331 1.081 571 HB ILE 76 HB ILE 76 4.534 4.904 2.762 572 HG12 ILE 76 HG12 ILE 76 1.826 6.130 2.139 573 HG13 ILE 76 HG13 ILE 76 2.428 4.647 1.449 574 HG21 ILE 76 HG21 ILE 76 3.383 7.640 3.433 575 HG22 ILE 76 HG22 ILE 76 4.973 7.039 3.895 576 HG23 ILE 76 HG23 ILE 76 3.521 6.311 4.583 577 HD11 ILE 76 HD11 ILE 76 0.873 4.306 3.415 578 HD12 ILE 76 HD12 ILE 76 2.118 5.031 4.431 579 HD13 ILE 76 HD13 ILE 76 2.449 3.528 3.572 580 H GLU 77 H GLU 77 6.430 4.984 0.930 581 HA GLU 77 HA GLU 77 8.418 6.315 2.357 582 HB2 GLU 77 HB2 GLU 77 8.303 3.925 1.328 583 HB3 GLU 77 HB3 GLU 77 8.974 4.685 -0.111 584 HG2 GLU 77 HG2 GLU 77 10.733 5.672 1.613 585 HG3 GLU 77 HG3 GLU 77 10.209 4.295 2.578 586 H LYS 78 H LYS 78 7.585 6.512 -1.113 587 HA LYS 78 HA LYS 78 9.701 8.456 -1.600 588 HB2 LYS 78 HB2 LYS 78 7.671 7.129 -3.398 589 HB3 LYS 78 HB3 LYS 78 8.842 8.324 -3.960 590 HG2 LYS 78 HG2 LYS 78 10.687 6.907 -3.136 591 HG3 LYS 78 HG3 LYS 78 9.517 5.708 -2.582 592 HD2 LYS 78 HD2 LYS 78 8.724 5.388 -4.884 593 HD3 LYS 78 HD3 LYS 78 9.850 6.619 -5.456 594 HE2 LYS 78 HE2 LYS 78 10.805 4.399 -5.836 595 HE3 LYS 78 HE3 LYS 78 11.743 5.242 -4.606 596 HZ1 LYS 78 HZ1 LYS 78 11.146 2.880 -4.084 597 HZ2 LYS 78 HZ2 LYS 78 9.528 3.384 -3.954 598 HZ3 LYS 78 HZ3 LYS 78 10.703 4.012 -2.901 599 H LYS 79 H LYS 79 6.172 8.394 -1.445 600 HA LYS 79 HA LYS 79 5.630 10.919 -2.546 601 HB2 LYS 79 HB2 LYS 79 3.947 9.118 -2.026 602 HB3 LYS 79 HB3 LYS 79 4.073 9.571 -0.329 603 HG2 LYS 79 HG2 LYS 79 2.195 10.780 -1.135 604 HG3 LYS 79 HG3 LYS 79 3.504 11.963 -1.117 605 HD2 LYS 79 HD2 LYS 79 3.868 11.705 -3.490 606 HD3 LYS 79 HD3 LYS 79 2.759 10.337 -3.563 607 HE2 LYS 79 HE2 LYS 79 0.917 11.874 -2.814 608 HE3 LYS 79 HE3 LYS 79 2.050 13.218 -2.950 609 HZ1 LYS 79 HZ1 LYS 79 1.024 11.459 -5.102 610 HZ2 LYS 79 HZ2 LYS 79 2.422 12.409 -5.305 611 HZ3 LYS 79 HZ3 LYS 79 0.928 13.152 -4.985 612 H LEU 80 H LEU 80 6.257 9.950 0.828 613 HA LEU 80 HA LEU 80 5.913 12.564 1.914 614 HB2 LEU 80 HB2 LEU 80 6.997 9.953 2.902 615 HB3 LEU 80 HB3 LEU 80 7.370 11.405 3.818 616 HG LEU 80 HG LEU 80 5.351 10.249 4.684 617 HD11 LEU 80 HD11 LEU 80 5.642 12.785 4.744 618 HD12 LEU 80 HD12 LEU 80 4.002 12.178 4.968 619 HD13 LEU 80 HD13 LEU 80 4.489 12.846 3.412 620 HD21 LEU 80 HD21 LEU 80 4.481 9.263 2.631 621 HD22 LEU 80 HD22 LEU 80 4.184 10.861 1.952 622 HD23 LEU 80 HD23 LEU 80 3.250 10.305 3.340 623 H GLY 81 H GLY 81 8.628 10.889 0.466 624 HA2 GLY 81 HA2 GLY 81 10.529 11.961 -0.425 625 HA3 GLY 81 HA3 GLY 81 10.205 13.353 0.604 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 11.438 11.507 11.700 2 H2 MET 1 HT2 MET 1 10.393 10.198 11.412 3 H3 MET 1 HT3 MET 1 10.521 11.453 10.274 4 HA MET 1 HA MET 1 12.636 10.812 9.591 5 HB2 MET 1 HB2 MET 1 12.636 9.163 12.130 6 HB3 MET 1 HB3 MET 1 13.858 8.994 10.869 7 HG2 MET 1 HG2 MET 1 14.309 11.466 11.087 8 HG3 MET 1 HG3 MET 1 13.238 11.478 12.488 9 HE1 MET 1 HE1 MET 1 13.591 10.494 14.638 10 HE2 MET 1 HE2 MET 1 14.903 9.438 15.150 11 HE3 MET 1 HE3 MET 1 13.696 8.843 14.013 12 H ALA 2 H ALA 2 11.818 9.913 7.789 13 HA ALA 2 HA ALA 2 9.981 7.763 7.695 14 HB1 ALA 2 HB1 ALA 2 10.061 9.169 5.795 15 HB2 ALA 2 HB2 ALA 2 10.762 7.644 5.255 16 HB3 ALA 2 HB3 ALA 2 11.811 9.006 5.647 17 H SER 3 H SER 3 10.245 5.591 7.297 18 HA SER 3 HA SER 3 12.811 4.418 6.795 19 HB2 SER 3 HB2 SER 3 12.912 4.844 9.270 20 HB3 SER 3 HB3 SER 3 11.512 3.789 9.457 21 HG SER 3 HG SER 3 14.146 3.194 8.725 22 H ARG 4 H ARG 4 12.567 2.332 5.937 23 HA ARG 4 HA ARG 4 10.154 1.601 4.798 24 HB2 ARG 4 HB2 ARG 4 12.408 0.721 4.168 25 HB3 ARG 4 HB3 ARG 4 12.403 -0.260 5.628 26 HG2 ARG 4 HG2 ARG 4 11.646 -1.749 3.961 27 HG3 ARG 4 HG3 ARG 4 10.161 -1.216 4.745 28 HD2 ARG 4 HD2 ARG 4 9.806 0.452 2.978 29 HD3 ARG 4 HD3 ARG 4 11.308 -0.036 2.200 30 HE ARG 4 HE ARG 4 9.500 -2.244 2.576 31 HH11 ARG 4 HH11 ARG 4 10.289 0.437 0.462 32 HH12 ARG 4 HH12 ARG 4 9.520 -0.274 -0.917 33 HH21 ARG 4 HH21 ARG 4 8.492 -3.119 0.765 34 HH22 ARG 4 HH22 ARG 4 8.515 -2.271 -0.745 35 H GLU 5 H GLU 5 11.552 0.574 7.887 36 HA GLU 5 HA GLU 5 9.639 -1.379 8.568 37 HB2 GLU 5 HB2 GLU 5 10.365 -1.007 10.917 38 HB3 GLU 5 HB3 GLU 5 11.721 -1.215 9.813 39 HG2 GLU 5 HG2 GLU 5 11.879 1.299 9.675 40 HG3 GLU 5 HG3 GLU 5 10.677 1.401 10.949 41 H GLU 6 H GLU 6 9.748 2.095 9.216 42 HA GLU 6 HA GLU 6 7.481 2.233 10.829 43 HB2 GLU 6 HB2 GLU 6 8.863 4.247 9.062 44 HB3 GLU 6 HB3 GLU 6 7.430 4.676 9.991 45 HG2 GLU 6 HG2 GLU 6 9.699 3.307 11.410 46 HG3 GLU 6 HG3 GLU 6 9.850 5.016 11.015 47 H ILE 7 H ILE 7 7.813 2.425 7.322 48 HA ILE 7 HA ILE 7 5.067 3.102 6.833 49 HB ILE 7 HB ILE 7 6.983 1.737 4.923 50 HG12 ILE 7 HG12 ILE 7 8.075 3.784 5.716 51 HG13 ILE 7 HG13 ILE 7 7.503 4.023 4.075 52 HG21 ILE 7 HG21 ILE 7 5.575 2.850 3.206 53 HG22 ILE 7 HG22 ILE 7 4.522 3.446 4.488 54 HG23 ILE 7 HG23 ILE 7 4.658 1.714 4.195 55 HD11 ILE 7 HD11 ILE 7 6.758 5.988 4.977 56 HD12 ILE 7 HD12 ILE 7 6.583 5.311 6.596 57 HD13 ILE 7 HD13 ILE 7 5.361 4.986 5.368 58 H PHE 8 H PHE 8 6.872 0.080 6.245 59 HA PHE 8 HA PHE 8 4.745 -1.556 5.665 60 HB2 PHE 8 HB2 PHE 8 7.118 -2.184 5.408 61 HB3 PHE 8 HB3 PHE 8 7.271 -2.312 7.157 62 HD1 PHE 8 HD1 PHE 8 5.522 -3.725 4.187 63 HD2 PHE 8 HD2 PHE 8 6.558 -4.277 8.320 64 HE1 PHE 8 HE1 PHE 8 4.703 -6.062 4.080 65 HE2 PHE 8 HE2 PHE 8 5.739 -6.615 8.213 66 HZ PHE 8 HZ PHE 8 4.810 -7.508 6.093 67 H SER 9 H SER 9 6.103 -0.933 8.948 68 HA SER 9 HA SER 9 4.435 -2.729 10.322 69 HB2 SER 9 HB2 SER 9 5.728 -0.159 11.243 70 HB3 SER 9 HB3 SER 9 4.944 -1.312 12.319 71 HG SER 9 HG SER 9 6.453 -2.831 11.770 72 H LYS 10 H LYS 10 4.000 0.762 9.702 73 HA LYS 10 HA LYS 10 1.501 0.964 11.041 74 HB2 LYS 10 HB2 LYS 10 2.803 2.683 8.924 75 HB3 LYS 10 HB3 LYS 10 1.293 3.105 9.737 76 HG2 LYS 10 HG2 LYS 10 2.418 2.995 11.920 77 HG3 LYS 10 HG3 LYS 10 3.926 2.538 11.130 78 HD2 LYS 10 HD2 LYS 10 3.954 4.685 9.921 79 HD3 LYS 10 HD3 LYS 10 2.436 5.145 10.697 80 HE2 LYS 10 HE2 LYS 10 4.320 6.158 11.899 81 HE3 LYS 10 HE3 LYS 10 3.541 4.950 12.919 82 HZ1 LYS 10 HZ1 LYS 10 5.969 4.751 12.943 83 HZ2 LYS 10 HZ2 LYS 10 5.966 4.484 11.264 84 HZ3 LYS 10 HZ3 LYS 10 5.233 3.360 12.306 85 H VAL 11 H VAL 11 2.383 0.314 7.702 86 HA VAL 11 HA VAL 11 -0.176 0.478 6.558 87 HB VAL 11 HB VAL 11 2.317 -1.044 5.754 88 HG11 VAL 11 HG11 VAL 11 0.516 -2.258 4.702 89 HG12 VAL 11 HG12 VAL 11 1.183 -1.180 3.475 90 HG13 VAL 11 HG13 VAL 11 -0.326 -0.763 4.287 91 HG21 VAL 11 HG21 VAL 11 2.124 1.555 5.752 92 HG22 VAL 11 HG22 VAL 11 1.048 1.328 4.376 93 HG23 VAL 11 HG23 VAL 11 2.717 0.765 4.292 94 H LYS 12 H LYS 12 1.619 -2.232 7.982 95 HA LYS 12 HA LYS 12 -0.348 -4.211 7.530 96 HB2 LYS 12 HB2 LYS 12 2.008 -4.703 8.270 97 HB3 LYS 12 HB3 LYS 12 1.557 -4.125 9.876 98 HG2 LYS 12 HG2 LYS 12 -0.477 -5.897 9.440 99 HG3 LYS 12 HG3 LYS 12 0.787 -6.647 8.469 100 HD2 LYS 12 HD2 LYS 12 2.249 -6.820 10.382 101 HD3 LYS 12 HD3 LYS 12 1.176 -5.825 11.357 102 HE2 LYS 12 HE2 LYS 12 -0.283 -7.538 11.769 103 HE3 LYS 12 HE3 LYS 12 -0.080 -8.266 10.170 104 HZ1 LYS 12 HZ1 LYS 12 0.901 -9.712 11.768 105 HZ2 LYS 12 HZ2 LYS 12 1.770 -8.446 12.498 106 HZ3 LYS 12 HZ3 LYS 12 2.177 -8.967 10.938 107 H SER 13 H SER 13 0.110 -1.863 10.155 108 HA SER 13 HA SER 13 -1.733 -2.908 11.973 109 HB2 SER 13 HB2 SER 13 -0.198 -1.082 12.531 110 HB3 SER 13 HB3 SER 13 -1.055 -0.009 11.429 111 HG SER 13 HG SER 13 -1.580 -0.362 13.930 112 H ILE 14 H ILE 14 -2.310 -0.679 9.239 113 HA ILE 14 HA ILE 14 -5.095 -0.379 9.876 114 HB ILE 14 HB ILE 14 -3.657 0.183 7.269 115 HG12 ILE 14 HG12 ILE 14 -2.606 1.461 9.076 116 HG13 ILE 14 HG13 ILE 14 -3.556 2.546 8.071 117 HG21 ILE 14 HG21 ILE 14 -6.175 1.524 8.253 118 HG22 ILE 14 HG22 ILE 14 -6.238 0.036 7.312 119 HG23 ILE 14 HG23 ILE 14 -5.514 1.486 6.620 120 HD11 ILE 14 HD11 ILE 14 -4.236 3.266 10.167 121 HD12 ILE 14 HD12 ILE 14 -4.017 1.679 10.902 122 HD13 ILE 14 HD13 ILE 14 -5.435 1.999 9.906 123 H ILE 15 H ILE 15 -3.332 -2.200 7.336 124 HA ILE 15 HA ILE 15 -5.568 -3.376 6.137 125 HB ILE 15 HB ILE 15 -2.677 -4.278 6.329 126 HG12 ILE 15 HG12 ILE 15 -4.111 -3.046 3.969 127 HG13 ILE 15 HG13 ILE 15 -3.364 -2.039 5.201 128 HG21 ILE 15 HG21 ILE 15 -3.184 -5.657 4.301 129 HG22 ILE 15 HG22 ILE 15 -4.894 -5.279 4.502 130 HG23 ILE 15 HG23 ILE 15 -4.051 -6.224 5.729 131 HD11 ILE 15 HD11 ILE 15 -1.706 -2.310 3.508 132 HD12 ILE 15 HD12 ILE 15 -2.040 -4.037 3.353 133 HD13 ILE 15 HD13 ILE 15 -1.233 -3.420 4.795 134 H SER 16 H SER 16 -3.398 -4.733 8.606 135 HA SER 16 HA SER 16 -4.713 -7.207 8.898 136 HB2 SER 16 HB2 SER 16 -2.410 -6.905 9.626 137 HB3 SER 16 HB3 SER 16 -2.912 -5.711 10.817 138 HG SER 16 HG SER 16 -3.973 -8.335 10.781 139 H GLU 17 H GLU 17 -5.084 -4.158 10.614 140 HA GLU 17 HA GLU 17 -6.764 -5.167 12.676 141 HB2 GLU 17 HB2 GLU 17 -5.497 -3.093 12.936 142 HB3 GLU 17 HB3 GLU 17 -6.423 -2.340 11.644 143 HG2 GLU 17 HG2 GLU 17 -8.471 -2.505 12.955 144 HG3 GLU 17 HG3 GLU 17 -7.639 -3.418 14.209 145 H LYS 18 H LYS 18 -7.448 -3.655 9.527 146 HA LYS 18 HA LYS 18 -10.307 -3.753 10.028 147 HB2 LYS 18 HB2 LYS 18 -8.614 -2.735 7.757 148 HB3 LYS 18 HB3 LYS 18 -10.347 -2.951 7.549 149 HG2 LYS 18 HG2 LYS 18 -10.283 -0.745 8.275 150 HG3 LYS 18 HG3 LYS 18 -10.503 -1.581 9.810 151 HD2 LYS 18 HD2 LYS 18 -8.022 -1.547 10.132 152 HD3 LYS 18 HD3 LYS 18 -7.878 -0.605 8.644 153 HE2 LYS 18 HE2 LYS 18 -9.258 1.177 9.609 154 HE3 LYS 18 HE3 LYS 18 -9.484 0.232 11.080 155 HZ1 LYS 18 HZ1 LYS 18 -7.454 0.757 11.824 156 HZ2 LYS 18 HZ2 LYS 18 -7.536 2.042 10.716 157 HZ3 LYS 18 HZ3 LYS 18 -6.724 0.610 10.301 158 H LEU 19 H LEU 19 -7.940 -5.672 8.370 159 HA LEU 19 HA LEU 19 -10.014 -7.206 6.969 160 HB2 LEU 19 HB2 LEU 19 -8.011 -6.393 5.726 161 HB3 LEU 19 HB3 LEU 19 -7.006 -7.409 6.752 162 HG LEU 19 HG LEU 19 -8.277 -9.397 5.978 163 HD11 LEU 19 HD11 LEU 19 -10.398 -8.462 5.314 164 HD12 LEU 19 HD12 LEU 19 -9.638 -9.076 3.845 165 HD13 LEU 19 HD13 LEU 19 -9.620 -7.347 4.191 166 HD21 LEU 19 HD21 LEU 19 -6.158 -8.484 4.878 167 HD22 LEU 19 HD22 LEU 19 -7.211 -7.831 3.622 168 HD23 LEU 19 HD23 LEU 19 -7.133 -9.572 3.893 169 H GLY 20 H GLY 20 -7.826 -7.446 9.659 170 HA2 GLY 20 HA2 GLY 20 -7.670 -9.027 11.338 171 HA3 GLY 20 HA3 GLY 20 -9.014 -9.885 10.590 172 H VAL 21 H VAL 21 -5.783 -8.993 9.362 173 HA VAL 21 HA VAL 21 -5.168 -11.883 9.029 174 HB VAL 21 HB VAL 21 -4.682 -9.800 6.888 175 HG11 VAL 21 HG11 VAL 21 -4.198 -11.895 5.524 176 HG12 VAL 21 HG12 VAL 21 -4.208 -12.790 7.043 177 HG13 VAL 21 HG13 VAL 21 -3.011 -11.524 6.774 178 HG21 VAL 21 HG21 VAL 21 -7.119 -10.519 7.277 179 HG22 VAL 21 HG22 VAL 21 -6.619 -12.137 6.793 180 HG23 VAL 21 HG23 VAL 21 -6.489 -10.799 5.654 181 H ASP 22 H ASP 22 -2.999 -12.470 9.144 182 HA ASP 22 HA ASP 22 -1.272 -10.524 10.442 183 HB2 ASP 22 HB2 ASP 22 -1.629 -13.060 11.059 184 HB3 ASP 22 HB3 ASP 22 -0.397 -13.311 9.823 185 H GLU 23 H GLU 23 0.716 -9.948 9.769 186 HA GLU 23 HA GLU 23 1.122 -9.132 7.221 187 HB2 GLU 23 HB2 GLU 23 3.462 -8.790 7.738 188 HB3 GLU 23 HB3 GLU 23 2.471 -8.395 9.133 189 HG2 GLU 23 HG2 GLU 23 2.899 -10.847 9.865 190 HG3 GLU 23 HG3 GLU 23 4.204 -10.803 8.680 191 H SER 24 H SER 24 1.479 -12.468 8.210 192 HA SER 24 HA SER 24 3.413 -13.360 6.397 193 HB2 SER 24 HB2 SER 24 0.898 -14.738 7.378 194 HB3 SER 24 HB3 SER 24 2.190 -15.545 6.493 195 HG SER 24 HG SER 24 2.041 -15.002 9.091 196 H GLN 25 H GLN 25 -0.039 -12.725 5.995 197 HA GLN 25 HA GLN 25 -0.172 -13.528 3.227 198 HB2 GLN 25 HB2 GLN 25 -1.972 -11.879 4.997 199 HB3 GLN 25 HB3 GLN 25 -2.311 -12.163 3.293 200 HG2 GLN 25 HG2 GLN 25 -1.796 -14.417 5.223 201 HG3 GLN 25 HG3 GLN 25 -3.413 -13.780 4.927 202 HE21 GLN 25 HE21 GLN 25 -3.580 -13.382 2.228 203 HE22 GLN 25 HE22 GLN 25 -3.237 -14.815 1.375 204 H VAL 26 H VAL 26 0.877 -10.715 4.939 205 HA VAL 26 HA VAL 26 0.555 -8.870 2.762 206 HB VAL 26 HB VAL 26 2.001 -8.595 5.405 207 HG11 VAL 26 HG11 VAL 26 2.990 -6.983 3.939 208 HG12 VAL 26 HG12 VAL 26 1.768 -6.101 4.856 209 HG13 VAL 26 HG13 VAL 26 1.438 -6.602 3.197 210 HG21 VAL 26 HG21 VAL 26 -0.678 -7.542 4.439 211 HG22 VAL 26 HG22 VAL 26 0.032 -7.250 6.027 212 HG23 VAL 26 HG23 VAL 26 -0.456 -8.882 5.567 213 H THR 27 H THR 27 1.880 -8.597 1.136 214 HA THR 27 HA THR 27 4.750 -9.114 1.431 215 HB THR 27 HB THR 27 3.333 -10.163 -1.014 216 HG1 THR 27 HG1 THR 27 2.860 -11.942 -0.025 217 HG21 THR 27 HG21 THR 27 5.949 -10.917 0.309 218 HG22 THR 27 HG22 THR 27 5.803 -9.789 -1.037 219 HG23 THR 27 HG23 THR 27 5.362 -11.480 -1.255 220 H GLU 28 H GLU 28 6.001 -8.004 -0.098 221 HA GLU 28 HA GLU 28 4.991 -5.506 -0.924 222 HB2 GLU 28 HB2 GLU 28 7.471 -7.047 -1.712 223 HB3 GLU 28 HB3 GLU 28 7.141 -5.401 -2.255 224 HG2 GLU 28 HG2 GLU 28 7.117 -4.579 0.015 225 HG3 GLU 28 HG3 GLU 28 7.193 -6.215 0.662 226 H GLU 29 H GLU 29 5.029 -8.668 -2.409 227 HA GLU 29 HA GLU 29 4.169 -7.531 -5.002 228 HB2 GLU 29 HB2 GLU 29 5.219 -10.290 -4.343 229 HB3 GLU 29 HB3 GLU 29 4.714 -9.750 -5.944 230 HG2 GLU 29 HG2 GLU 29 6.414 -7.938 -5.832 231 HG3 GLU 29 HG3 GLU 29 6.956 -8.568 -4.280 232 H ALA 30 H ALA 30 2.743 -8.684 -2.262 233 HA ALA 30 HA ALA 30 0.743 -10.376 -3.524 234 HB1 ALA 30 HB1 ALA 30 1.148 -11.114 -1.357 235 HB2 ALA 30 HB2 ALA 30 -0.282 -10.109 -1.121 236 HB3 ALA 30 HB3 ALA 30 1.313 -9.477 -0.721 237 H LYS 31 H LYS 31 -1.302 -9.807 -4.054 238 HA LYS 31 HA LYS 31 -1.927 -6.970 -4.238 239 HB2 LYS 31 HB2 LYS 31 -3.543 -9.415 -4.954 240 HB3 LYS 31 HB3 LYS 31 -3.987 -7.761 -5.342 241 HG2 LYS 31 HG2 LYS 31 -1.324 -8.845 -6.247 242 HG3 LYS 31 HG3 LYS 31 -2.784 -9.256 -7.145 243 HD2 LYS 31 HD2 LYS 31 -3.264 -6.700 -7.135 244 HD3 LYS 31 HD3 LYS 31 -1.567 -6.530 -6.688 245 HE2 LYS 31 HE2 LYS 31 -1.774 -6.383 -9.116 246 HE3 LYS 31 HE3 LYS 31 -0.941 -7.878 -8.695 247 HZ1 LYS 31 HZ1 LYS 31 -3.663 -8.461 -8.694 248 HZ2 LYS 31 HZ2 LYS 31 -2.493 -8.963 -9.823 249 HZ3 LYS 31 HZ3 LYS 31 -3.378 -7.539 -10.091 250 H LEU 32 H LEU 32 -3.249 -5.892 -2.868 251 HA LEU 32 HA LEU 32 -3.934 -7.039 -0.381 252 HB2 LEU 32 HB2 LEU 32 -4.793 -4.479 -1.721 253 HB3 LEU 32 HB3 LEU 32 -5.358 -4.947 -0.117 254 HG LEU 32 HG LEU 32 -2.773 -5.336 0.360 255 HD11 LEU 32 HD11 LEU 32 -1.896 -4.989 -1.835 256 HD12 LEU 32 HD12 LEU 32 -1.436 -3.579 -0.885 257 HD13 LEU 32 HD13 LEU 32 -2.779 -3.476 -2.022 258 HD21 LEU 32 HD21 LEU 32 -2.627 -3.093 1.251 259 HD22 LEU 32 HD22 LEU 32 -4.299 -3.628 1.412 260 HD23 LEU 32 HD23 LEU 32 -3.852 -2.512 0.122 261 H ILE 33 H ILE 33 -5.850 -6.632 -3.343 262 HA ILE 33 HA ILE 33 -8.232 -7.556 -1.965 263 HB ILE 33 HB ILE 33 -8.389 -5.774 -3.657 264 HG12 ILE 33 HG12 ILE 33 -9.886 -8.227 -4.609 265 HG13 ILE 33 HG13 ILE 33 -10.275 -7.428 -3.083 266 HG21 ILE 33 HG21 ILE 33 -7.872 -7.939 -5.713 267 HG22 ILE 33 HG22 ILE 33 -6.622 -6.818 -5.172 268 HG23 ILE 33 HG23 ILE 33 -8.059 -6.207 -5.992 269 HD11 ILE 33 HD11 ILE 33 -10.153 -5.933 -5.715 270 HD12 ILE 33 HD12 ILE 33 -10.858 -5.391 -4.191 271 HD13 ILE 33 HD13 ILE 33 -11.636 -6.676 -5.114 272 H ASP 34 H ASP 34 -5.987 -8.896 -4.391 273 HA ASP 34 HA ASP 34 -7.560 -11.339 -4.577 274 HB2 ASP 34 HB2 ASP 34 -4.830 -10.727 -5.714 275 HB3 ASP 34 HB3 ASP 34 -5.850 -12.087 -6.143 276 H ASP 35 H ASP 35 -4.241 -10.556 -3.518 277 HA ASP 35 HA ASP 35 -3.728 -13.138 -2.439 278 HB2 ASP 35 HB2 ASP 35 -2.048 -11.385 -3.253 279 HB3 ASP 35 HB3 ASP 35 -2.257 -10.637 -1.672 280 H LEU 36 H LEU 36 -5.109 -10.210 -1.045 281 HA LEU 36 HA LEU 36 -5.028 -11.510 1.613 282 HB2 LEU 36 HB2 LEU 36 -4.781 -8.695 0.720 283 HB3 LEU 36 HB3 LEU 36 -5.636 -8.962 2.230 284 HG LEU 36 HG LEU 36 -2.936 -10.223 1.699 285 HD11 LEU 36 HD11 LEU 36 -3.497 -7.489 2.897 286 HD12 LEU 36 HD12 LEU 36 -2.649 -7.801 1.383 287 HD13 LEU 36 HD13 LEU 36 -1.931 -8.300 2.915 288 HD21 LEU 36 HD21 LEU 36 -4.467 -9.445 4.199 289 HD22 LEU 36 HD22 LEU 36 -2.852 -10.145 4.192 290 HD23 LEU 36 HD23 LEU 36 -4.224 -11.081 3.594 291 H GLY 37 H GLY 37 -7.188 -10.336 -0.889 292 HA2 GLY 37 HA2 GLY 37 -9.474 -10.873 -1.024 293 HA3 GLY 37 HA3 GLY 37 -9.439 -11.355 0.661 294 H ALA 38 H ALA 38 -8.053 -8.277 -0.063 295 HA ALA 38 HA ALA 38 -10.134 -6.933 1.453 296 HB1 ALA 38 HB1 ALA 38 -7.626 -6.476 1.662 297 HB2 ALA 38 HB2 ALA 38 -8.672 -5.063 1.508 298 HB3 ALA 38 HB3 ALA 38 -7.758 -5.641 0.115 299 H ASP 39 H ASP 39 -11.917 -6.556 0.394 300 HA ASP 39 HA ASP 39 -12.229 -6.222 -2.373 301 HB2 ASP 39 HB2 ASP 39 -14.059 -6.820 -0.762 302 HB3 ASP 39 HB3 ASP 39 -14.078 -5.138 -0.234 303 H SER 40 H SER 40 -12.759 -4.346 -3.606 304 HA SER 40 HA SER 40 -10.997 -2.258 -3.459 305 HB2 SER 40 HB2 SER 40 -12.489 -1.029 -4.977 306 HB3 SER 40 HB3 SER 40 -12.344 -2.722 -5.444 307 HG SER 40 HG SER 40 -14.477 -1.375 -4.180 308 H LEU 41 H LEU 41 -14.245 -2.354 -1.977 309 HA LEU 41 HA LEU 41 -14.306 0.348 -1.125 310 HB2 LEU 41 HB2 LEU 41 -16.302 -1.122 -1.095 311 HB3 LEU 41 HB3 LEU 41 -15.562 -2.098 0.169 312 HG LEU 41 HG LEU 41 -15.506 -0.060 1.639 313 HD11 LEU 41 HD11 LEU 41 -17.050 1.133 -0.683 314 HD12 LEU 41 HD12 LEU 41 -15.544 1.725 0.017 315 HD13 LEU 41 HD13 LEU 41 -17.045 1.829 0.937 316 HD21 LEU 41 HD21 LEU 41 -17.968 -0.039 2.059 317 HD22 LEU 41 HD22 LEU 41 -17.324 -1.668 1.864 318 HD23 LEU 41 HD23 LEU 41 -18.204 -0.904 0.541 319 H ASP 42 H ASP 42 -13.249 -2.621 0.466 320 HA ASP 42 HA ASP 42 -12.352 -1.503 2.888 321 HB2 ASP 42 HB2 ASP 42 -11.477 -3.978 1.390 322 HB3 ASP 42 HB3 ASP 42 -10.885 -3.564 2.998 323 H LEU 43 H LEU 43 -10.722 -2.011 -0.205 324 HA LEU 43 HA LEU 43 -8.120 -1.301 0.524 325 HB2 LEU 43 HB2 LEU 43 -8.734 -2.395 -1.613 326 HB3 LEU 43 HB3 LEU 43 -9.527 -0.916 -2.136 327 HG LEU 43 HG LEU 43 -7.326 0.279 -1.926 328 HD11 LEU 43 HD11 LEU 43 -5.273 -1.175 -1.845 329 HD12 LEU 43 HD12 LEU 43 -6.311 -2.536 -1.418 330 HD13 LEU 43 HD13 LEU 43 -6.181 -1.153 -0.333 331 HD21 LEU 43 HD21 LEU 43 -7.410 -2.145 -3.750 332 HD22 LEU 43 HD22 LEU 43 -6.327 -0.767 -3.956 333 HD23 LEU 43 HD23 LEU 43 -8.070 -0.550 -4.102 334 H VAL 44 H VAL 44 -10.854 0.682 -0.614 335 HA VAL 44 HA VAL 44 -9.467 3.121 -0.841 336 HB VAL 44 HB VAL 44 -12.380 2.524 -0.236 337 HG11 VAL 44 HG11 VAL 44 -12.780 4.888 -1.030 338 HG12 VAL 44 HG12 VAL 44 -11.043 5.165 -0.906 339 HG13 VAL 44 HG13 VAL 44 -11.979 4.785 0.540 340 HG21 VAL 44 HG21 VAL 44 -12.726 2.843 -2.571 341 HG22 VAL 44 HG22 VAL 44 -11.297 1.819 -2.449 342 HG23 VAL 44 HG23 VAL 44 -11.120 3.539 -2.791 343 H ASP 45 H ASP 45 -11.257 1.709 1.905 344 HA ASP 45 HA ASP 45 -10.826 3.834 3.726 345 HB2 ASP 45 HB2 ASP 45 -11.338 0.883 4.148 346 HB3 ASP 45 HB3 ASP 45 -11.231 2.033 5.473 347 H LEU 46 H LEU 46 -8.943 0.929 2.981 348 HA LEU 46 HA LEU 46 -7.013 1.161 5.019 349 HB2 LEU 46 HB2 LEU 46 -7.317 -0.312 2.462 350 HB3 LEU 46 HB3 LEU 46 -5.663 -0.078 2.992 351 HG LEU 46 HG LEU 46 -6.096 -1.235 5.082 352 HD11 LEU 46 HD11 LEU 46 -8.520 -0.397 5.330 353 HD12 LEU 46 HD12 LEU 46 -8.223 -2.070 5.791 354 HD13 LEU 46 HD13 LEU 46 -8.971 -1.707 4.240 355 HD21 LEU 46 HD21 LEU 46 -5.780 -2.517 2.872 356 HD22 LEU 46 HD22 LEU 46 -7.508 -2.854 2.955 357 HD23 LEU 46 HD23 LEU 46 -6.436 -3.428 4.231 358 H VAL 47 H VAL 47 -6.630 2.007 1.530 359 HA VAL 47 HA VAL 47 -4.207 3.357 1.853 360 HB VAL 47 HB VAL 47 -5.033 2.686 -0.358 361 HG11 VAL 47 HG11 VAL 47 -7.449 3.429 0.215 362 HG12 VAL 47 HG12 VAL 47 -6.883 3.719 -1.428 363 HG13 VAL 47 HG13 VAL 47 -6.932 5.044 -0.265 364 HG21 VAL 47 HG21 VAL 47 -4.222 4.570 -1.569 365 HG22 VAL 47 HG22 VAL 47 -3.402 4.639 -0.008 366 HG23 VAL 47 HG23 VAL 47 -4.770 5.705 -0.333 367 H MET 48 H MET 48 -7.548 4.565 2.094 368 HA MET 48 HA MET 48 -7.011 7.289 2.375 369 HB2 MET 48 HB2 MET 48 -9.271 6.320 2.072 370 HB3 MET 48 HB3 MET 48 -9.188 5.631 3.690 371 HG2 MET 48 HG2 MET 48 -9.093 7.834 4.688 372 HG3 MET 48 HG3 MET 48 -8.979 8.598 3.101 373 HE1 MET 48 HE1 MET 48 -10.922 9.449 5.264 374 HE2 MET 48 HE2 MET 48 -12.490 9.591 4.473 375 HE3 MET 48 HE3 MET 48 -11.046 10.189 3.661 376 H ASP 49 H ASP 49 -7.210 4.715 4.827 377 HA ASP 49 HA ASP 49 -6.808 6.212 7.127 378 HB2 ASP 49 HB2 ASP 49 -7.170 3.652 6.858 379 HB3 ASP 49 HB3 ASP 49 -5.408 3.570 6.786 380 H PHE 50 H PHE 50 -4.445 5.108 4.745 381 HA PHE 50 HA PHE 50 -2.125 6.056 6.192 382 HB2 PHE 50 HB2 PHE 50 -2.306 5.590 3.208 383 HB3 PHE 50 HB3 PHE 50 -0.859 5.598 4.200 384 HD1 PHE 50 HD1 PHE 50 -2.068 3.438 2.259 385 HD2 PHE 50 HD2 PHE 50 -2.033 3.858 6.538 386 HE1 PHE 50 HE1 PHE 50 -2.292 0.989 2.503 387 HE2 PHE 50 HE2 PHE 50 -2.256 1.404 6.768 388 HZ PHE 50 HZ PHE 50 -2.397 -0.026 4.751 389 H GLU 51 H GLU 51 -4.388 7.379 3.888 390 HA GLU 51 HA GLU 51 -2.984 9.610 2.930 391 HB2 GLU 51 HB2 GLU 51 -5.203 8.721 2.088 392 HB3 GLU 51 HB3 GLU 51 -5.959 9.492 3.479 393 HG2 GLU 51 HG2 GLU 51 -5.020 11.677 2.751 394 HG3 GLU 51 HG3 GLU 51 -4.369 10.886 1.316 395 H SER 52 H SER 52 -5.020 9.203 5.816 396 HA SER 52 HA SER 52 -4.499 11.950 6.673 397 HB2 SER 52 HB2 SER 52 -6.037 11.461 8.491 398 HB3 SER 52 HB3 SER 52 -6.748 10.936 6.968 399 HG SER 52 HG SER 52 -6.763 9.425 8.849 400 H GLU 53 H GLU 53 -3.577 8.662 7.492 401 HA GLU 53 HA GLU 53 -2.367 9.127 9.988 402 HB2 GLU 53 HB2 GLU 53 -2.795 6.860 9.067 403 HB3 GLU 53 HB3 GLU 53 -1.513 7.112 7.887 404 HG2 GLU 53 HG2 GLU 53 -0.634 5.829 9.770 405 HG3 GLU 53 HG3 GLU 53 0.113 7.423 9.745 406 H PHE 54 H PHE 54 -0.889 9.132 6.716 407 HA PHE 54 HA PHE 54 1.588 10.220 7.794 408 HB2 PHE 54 HB2 PHE 54 0.726 9.436 5.007 409 HB3 PHE 54 HB3 PHE 54 2.306 10.121 5.372 410 HD1 PHE 54 HD1 PHE 54 0.125 7.191 5.698 411 HD2 PHE 54 HD2 PHE 54 3.917 8.889 6.788 412 HE1 PHE 54 HE1 PHE 54 0.923 4.953 6.407 413 HE2 PHE 54 HE2 PHE 54 4.717 6.650 7.495 414 HZ PHE 54 HZ PHE 54 3.219 4.683 7.306 415 H GLY 55 H GLY 55 -1.298 11.659 7.029 416 HA2 GLY 55 HA2 GLY 55 -1.910 13.839 6.595 417 HA3 GLY 55 HA3 GLY 55 -0.267 14.281 7.052 418 H VAL 56 H VAL 56 -1.203 12.146 4.405 419 HA VAL 56 HA VAL 56 -0.293 14.171 2.453 420 HB VAL 56 HB VAL 56 0.828 12.363 1.173 421 HG11 VAL 56 HG11 VAL 56 1.688 12.883 4.019 422 HG12 VAL 56 HG12 VAL 56 2.263 13.665 2.548 423 HG13 VAL 56 HG13 VAL 56 2.697 11.989 2.881 424 HG21 VAL 56 HG21 VAL 56 -0.287 10.372 1.841 425 HG22 VAL 56 HG22 VAL 56 -0.046 10.717 3.553 426 HG23 VAL 56 HG23 VAL 56 1.322 10.232 2.551 427 H LYS 57 H LYS 57 -1.181 14.025 0.389 428 HA LYS 57 HA LYS 57 -3.787 12.643 0.274 429 HB2 LYS 57 HB2 LYS 57 -3.780 15.111 -0.028 430 HB3 LYS 57 HB3 LYS 57 -2.718 14.923 -1.419 431 HG2 LYS 57 HG2 LYS 57 -4.963 15.155 -2.267 432 HG3 LYS 57 HG3 LYS 57 -4.506 13.465 -2.470 433 HD2 LYS 57 HD2 LYS 57 -5.742 12.852 -0.449 434 HD3 LYS 57 HD3 LYS 57 -6.134 14.545 -0.146 435 HE2 LYS 57 HE2 LYS 57 -7.371 14.642 -2.281 436 HE3 LYS 57 HE3 LYS 57 -6.984 12.947 -2.580 437 HZ1 LYS 57 HZ1 LYS 57 -8.051 12.589 -0.282 438 HZ2 LYS 57 HZ2 LYS 57 -9.063 12.838 -1.624 439 HZ3 LYS 57 HZ3 LYS 57 -8.760 14.108 -0.537 440 H VAL 58 H VAL 58 -4.300 11.232 -1.424 441 HA VAL 58 HA VAL 58 -2.005 10.443 -3.113 442 HB VAL 58 HB VAL 58 -3.122 8.249 -3.335 443 HG11 VAL 58 HG11 VAL 58 -1.481 8.884 -1.453 444 HG12 VAL 58 HG12 VAL 58 -2.464 7.447 -1.194 445 HG13 VAL 58 HG13 VAL 58 -2.891 8.963 -0.398 446 HG21 VAL 58 HG21 VAL 58 -5.043 7.694 -1.918 447 HG22 VAL 58 HG22 VAL 58 -5.458 9.072 -2.938 448 HG23 VAL 58 HG23 VAL 58 -5.052 9.322 -1.239 449 H ASP 59 H ASP 59 -2.223 10.108 -5.227 450 HA ASP 59 HA ASP 59 -4.330 11.545 -6.607 451 HB2 ASP 59 HB2 ASP 59 -1.890 11.604 -7.272 452 HB3 ASP 59 HB3 ASP 59 -2.066 9.932 -7.766 453 H ASP 60 H ASP 60 -6.028 10.675 -7.680 454 HA ASP 60 HA ASP 60 -6.945 8.069 -7.207 455 HB2 ASP 60 HB2 ASP 60 -8.331 9.926 -8.172 456 HB3 ASP 60 HB3 ASP 60 -7.491 9.703 -9.704 457 H ALA 61 H ALA 61 -4.844 9.378 -9.654 458 HA ALA 61 HA ALA 61 -4.579 7.062 -11.297 459 HB1 ALA 61 HB1 ALA 61 -2.317 8.967 -11.029 460 HB2 ALA 61 HB2 ALA 61 -3.835 9.603 -11.645 461 HB3 ALA 61 HB3 ALA 61 -3.029 8.273 -12.478 462 H ASP 62 H ASP 62 -2.833 8.291 -8.419 463 HA ASP 62 HA ASP 62 -0.756 6.373 -8.396 464 HB2 ASP 62 HB2 ASP 62 -2.059 7.895 -6.128 465 HB3 ASP 62 HB3 ASP 62 -0.721 6.789 -5.883 466 H LEU 63 H LEU 63 -4.056 6.344 -7.095 467 HA LEU 63 HA LEU 63 -3.931 3.951 -5.647 468 HB2 LEU 63 HB2 LEU 63 -5.876 5.486 -5.591 469 HB3 LEU 63 HB3 LEU 63 -6.268 5.046 -7.249 470 HG LEU 63 HG LEU 63 -6.546 2.665 -6.502 471 HD11 LEU 63 HD11 LEU 63 -6.882 2.361 -3.994 472 HD12 LEU 63 HD12 LEU 63 -6.096 3.925 -3.782 473 HD13 LEU 63 HD13 LEU 63 -5.209 2.583 -4.507 474 HD21 LEU 63 HD21 LEU 63 -8.239 4.754 -5.098 475 HD22 LEU 63 HD22 LEU 63 -8.706 3.068 -5.324 476 HD23 LEU 63 HD23 LEU 63 -8.497 4.121 -6.723 477 H GLU 64 H GLU 64 -4.700 4.505 -9.112 478 HA GLU 64 HA GLU 64 -5.078 1.794 -9.791 479 HB2 GLU 64 HB2 GLU 64 -4.254 4.203 -11.417 480 HB3 GLU 64 HB3 GLU 64 -4.567 2.621 -12.130 481 HG2 GLU 64 HG2 GLU 64 -6.847 2.631 -11.322 482 HG3 GLU 64 HG3 GLU 64 -6.558 4.090 -10.381 483 H LYS 65 H LYS 65 -2.197 3.738 -9.396 484 HA LYS 65 HA LYS 65 -0.398 1.861 -10.698 485 HB2 LYS 65 HB2 LYS 65 0.188 4.220 -8.881 486 HB3 LYS 65 HB3 LYS 65 1.381 3.332 -9.825 487 HG2 LYS 65 HG2 LYS 65 0.482 4.106 -11.889 488 HG3 LYS 65 HG3 LYS 65 -0.994 4.674 -11.123 489 HD2 LYS 65 HD2 LYS 65 0.803 6.165 -9.730 490 HD3 LYS 65 HD3 LYS 65 1.712 5.944 -11.218 491 HE2 LYS 65 HE2 LYS 65 0.284 7.262 -12.448 492 HE3 LYS 65 HE3 LYS 65 -1.141 6.779 -11.527 493 HZ1 LYS 65 HZ1 LYS 65 -0.486 9.113 -11.111 494 HZ2 LYS 65 HZ2 LYS 65 1.007 8.564 -10.505 495 HZ3 LYS 65 HZ3 LYS 65 -0.433 8.156 -9.709 496 H ILE 66 H ILE 66 -1.892 2.098 -7.648 497 HA ILE 66 HA ILE 66 0.142 0.380 -6.345 498 HB ILE 66 HB ILE 66 -2.008 2.121 -5.084 499 HG12 ILE 66 HG12 ILE 66 1.007 2.443 -4.956 500 HG13 ILE 66 HG13 ILE 66 0.027 3.254 -6.174 501 HG21 ILE 66 HG21 ILE 66 0.112 0.303 -3.909 502 HG22 ILE 66 HG22 ILE 66 -1.625 0.258 -3.621 503 HG23 ILE 66 HG23 ILE 66 -0.658 1.587 -2.981 504 HD11 ILE 66 HD11 ILE 66 -1.378 4.137 -4.194 505 HD12 ILE 66 HD12 ILE 66 0.220 4.844 -4.427 506 HD13 ILE 66 HD13 ILE 66 -0.029 3.626 -3.178 507 H SER 67 H SER 67 -0.369 -1.728 -6.481 508 HA SER 67 HA SER 67 -3.206 -2.522 -6.143 509 HB2 SER 67 HB2 SER 67 -1.041 -3.834 -7.797 510 HB3 SER 67 HB3 SER 67 -2.630 -4.532 -7.502 511 HG SER 67 HG SER 67 -2.299 -3.205 -9.483 512 H THR 68 H THR 68 0.169 -3.427 -5.563 513 HA THR 68 HA THR 68 -0.666 -5.353 -3.508 514 HB THR 68 HB THR 68 1.688 -6.145 -3.609 515 HG1 THR 68 HG1 THR 68 2.531 -4.078 -4.233 516 HG21 THR 68 HG21 THR 68 0.469 -5.899 -6.375 517 HG22 THR 68 HG22 THR 68 -0.046 -7.071 -5.164 518 HG23 THR 68 HG23 THR 68 1.587 -7.144 -5.822 519 H VAL 69 H VAL 69 0.722 -5.418 -1.569 520 HA VAL 69 HA VAL 69 0.647 -2.921 -0.233 521 HB VAL 69 HB VAL 69 2.034 -5.518 0.529 522 HG11 VAL 69 HG11 VAL 69 1.812 -4.555 2.880 523 HG12 VAL 69 HG12 VAL 69 1.479 -2.998 2.120 524 HG13 VAL 69 HG13 VAL 69 3.035 -3.789 1.867 525 HG21 VAL 69 HG21 VAL 69 -0.019 -5.643 2.059 526 HG22 VAL 69 HG22 VAL 69 -0.321 -5.880 0.338 527 HG23 VAL 69 HG23 VAL 69 -0.693 -4.331 1.095 528 H GLY 70 H GLY 70 3.184 -4.520 -2.071 529 HA2 GLY 70 HA2 GLY 70 5.432 -3.119 -1.067 530 HA3 GLY 70 HA3 GLY 70 5.307 -3.794 -2.688 531 H ASP 71 H ASP 71 3.140 -2.375 -3.650 532 HA ASP 71 HA ASP 71 4.322 0.052 -4.496 533 HB2 ASP 71 HB2 ASP 71 1.505 -1.021 -4.692 534 HB3 ASP 71 HB3 ASP 71 1.993 0.514 -5.397 535 H ILE 72 H ILE 72 1.920 -0.757 -2.013 536 HA ILE 72 HA ILE 72 1.149 1.896 -1.346 537 HB ILE 72 HB ILE 72 1.261 -0.551 0.466 538 HG12 ILE 72 HG12 ILE 72 -1.002 0.530 -1.242 539 HG13 ILE 72 HG13 ILE 72 -0.070 -0.895 -1.616 540 HG21 ILE 72 HG21 ILE 72 -0.361 0.641 1.838 541 HG22 ILE 72 HG22 ILE 72 -0.453 1.957 0.669 542 HG23 ILE 72 HG23 ILE 72 1.025 1.704 1.600 543 HD11 ILE 72 HD11 ILE 72 -0.847 -1.854 0.601 544 HD12 ILE 72 HD12 ILE 72 -2.112 -1.621 -0.602 545 HD13 ILE 72 HD13 ILE 72 -1.941 -0.478 0.724 546 H VAL 73 H VAL 73 3.541 -0.319 0.076 547 HA VAL 73 HA VAL 73 4.562 1.424 2.013 548 HB VAL 73 HB VAL 73 5.810 -0.947 0.604 549 HG11 VAL 73 HG11 VAL 73 6.756 0.518 3.094 550 HG12 VAL 73 HG12 VAL 73 7.618 0.412 1.561 551 HG13 VAL 73 HG13 VAL 73 7.383 -1.036 2.541 552 HG21 VAL 73 HG21 VAL 73 3.723 -1.272 1.985 553 HG22 VAL 73 HG22 VAL 73 4.631 -0.701 3.385 554 HG23 VAL 73 HG23 VAL 73 5.122 -2.181 2.559 555 H SER 74 H SER 74 5.825 0.691 -1.249 556 HA SER 74 HA SER 74 8.014 2.462 -1.157 557 HB2 SER 74 HB2 SER 74 8.062 2.228 -3.593 558 HB3 SER 74 HB3 SER 74 7.775 0.666 -2.831 559 HG SER 74 HG SER 74 6.347 1.129 -4.598 560 H TYR 75 H TYR 75 4.643 2.947 -1.993 561 HA TYR 75 HA TYR 75 4.832 5.451 -3.245 562 HB2 TYR 75 HB2 TYR 75 2.813 4.054 -3.330 563 HB3 TYR 75 HB3 TYR 75 2.564 4.299 -1.604 564 HD1 TYR 75 HD1 TYR 75 2.708 6.020 -4.900 565 HD2 TYR 75 HD2 TYR 75 1.559 6.302 -0.772 566 HE1 TYR 75 HE1 TYR 75 1.512 8.136 -5.377 567 HE2 TYR 75 HE2 TYR 75 0.362 8.415 -1.249 568 HH TYR 75 HH TYR 75 0.097 10.085 -2.797 569 H ILE 76 H ILE 76 4.265 4.620 0.167 570 HA ILE 76 HA ILE 76 4.015 7.282 1.068 571 HB ILE 76 HB ILE 76 4.856 4.842 2.662 572 HG12 ILE 76 HG12 ILE 76 2.115 6.066 2.190 573 HG13 ILE 76 HG13 ILE 76 2.700 4.641 1.375 574 HG21 ILE 76 HG21 ILE 76 3.862 6.184 4.552 575 HG22 ILE 76 HG22 ILE 76 3.685 7.545 3.447 576 HG23 ILE 76 HG23 ILE 76 5.291 6.951 3.857 577 HD11 ILE 76 HD11 ILE 76 1.211 4.323 3.495 578 HD12 ILE 76 HD12 ILE 76 2.685 4.711 4.381 579 HD13 ILE 76 HD13 ILE 76 2.647 3.318 3.302 580 H GLU 77 H GLU 77 6.796 5.123 0.859 581 HA GLU 77 HA GLU 77 8.655 6.724 2.230 582 HB2 GLU 77 HB2 GLU 77 8.992 4.679 0.049 583 HB3 GLU 77 HB3 GLU 77 10.359 5.444 0.855 584 HG2 GLU 77 HG2 GLU 77 9.421 4.660 3.042 585 HG3 GLU 77 HG3 GLU 77 8.177 3.792 2.142 586 H LYS 78 H LYS 78 7.716 6.734 -1.213 587 HA LYS 78 HA LYS 78 9.716 8.759 -1.834 588 HB2 LYS 78 HB2 LYS 78 7.623 7.374 -3.514 589 HB3 LYS 78 HB3 LYS 78 8.753 8.577 -4.137 590 HG2 LYS 78 HG2 LYS 78 10.654 7.188 -3.468 591 HG3 LYS 78 HG3 LYS 78 9.565 6.005 -2.746 592 HD2 LYS 78 HD2 LYS 78 10.147 5.138 -4.900 593 HD3 LYS 78 HD3 LYS 78 8.505 5.759 -5.053 594 HE2 LYS 78 HE2 LYS 78 9.353 7.831 -6.055 595 HE3 LYS 78 HE3 LYS 78 11.013 7.274 -5.845 596 HZ1 LYS 78 HZ1 LYS 78 10.128 6.901 -8.100 597 HZ2 LYS 78 HZ2 LYS 78 8.961 5.852 -7.450 598 HZ3 LYS 78 HZ3 LYS 78 10.612 5.468 -7.335 599 H LYS 79 H LYS 79 6.226 8.549 -1.398 600 HA LYS 79 HA LYS 79 5.495 11.031 -2.493 601 HB2 LYS 79 HB2 LYS 79 3.930 9.171 -1.825 602 HB3 LYS 79 HB3 LYS 79 4.161 9.661 -0.148 603 HG2 LYS 79 HG2 LYS 79 2.171 10.766 -0.867 604 HG3 LYS 79 HG3 LYS 79 3.428 12.004 -0.898 605 HD2 LYS 79 HD2 LYS 79 3.702 11.747 -3.299 606 HD3 LYS 79 HD3 LYS 79 2.598 10.374 -3.319 607 HE2 LYS 79 HE2 LYS 79 0.779 11.876 -2.506 608 HE3 LYS 79 HE3 LYS 79 1.895 13.237 -2.612 609 HZ1 LYS 79 HZ1 LYS 79 0.964 11.508 -4.842 610 HZ2 LYS 79 HZ2 LYS 79 2.202 12.665 -4.989 611 HZ3 LYS 79 HZ3 LYS 79 0.621 13.155 -4.607 612 H LEU 80 H LEU 80 6.445 10.134 0.819 613 HA LEU 80 HA LEU 80 6.060 12.724 1.934 614 HB2 LEU 80 HB2 LEU 80 7.674 10.332 2.831 615 HB3 LEU 80 HB3 LEU 80 7.541 11.811 3.780 616 HG LEU 80 HG LEU 80 5.109 10.275 2.817 617 HD11 LEU 80 HD11 LEU 80 6.600 8.886 4.305 618 HD12 LEU 80 HD12 LEU 80 5.013 9.224 4.997 619 HD13 LEU 80 HD13 LEU 80 6.425 10.128 5.546 620 HD21 LEU 80 HD21 LEU 80 5.600 12.412 4.918 621 HD22 LEU 80 HD22 LEU 80 4.085 11.525 4.768 622 HD23 LEU 80 HD23 LEU 80 4.629 12.567 3.453 623 H GLY 81 H GLY 81 8.712 11.216 0.213 624 HA2 GLY 81 HA2 GLY 81 10.459 12.360 -0.866 625 HA3 GLY 81 HA3 GLY 81 10.114 13.778 0.119 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 11.636 13.382 10.133 2 H2 MET 1 HT2 MET 1 9.994 13.064 9.841 3 H3 MET 1 HT3 MET 1 11.169 12.579 8.714 4 HA MET 1 HA MET 1 12.137 11.127 10.496 5 HB2 MET 1 HB2 MET 1 9.454 11.774 11.765 6 HB3 MET 1 HB3 MET 1 10.579 10.542 12.331 7 HG2 MET 1 HG2 MET 1 11.223 13.501 12.127 8 HG3 MET 1 HG3 MET 1 10.772 12.673 13.617 9 HE1 MET 1 HE1 MET 1 11.847 10.991 14.723 10 HE2 MET 1 HE2 MET 1 13.540 10.513 14.640 11 HE3 MET 1 HE3 MET 1 12.379 9.813 13.516 12 H ALA 2 H ALA 2 12.089 9.606 8.929 13 HA ALA 2 HA ALA 2 9.615 8.096 8.563 14 HB1 ALA 2 HB1 ALA 2 9.829 9.938 6.759 15 HB2 ALA 2 HB2 ALA 2 9.513 8.287 6.223 16 HB3 ALA 2 HB3 ALA 2 11.143 8.952 6.114 17 H SER 3 H SER 3 9.955 5.981 7.739 18 HA SER 3 HA SER 3 12.574 5.040 7.064 19 HB2 SER 3 HB2 SER 3 12.704 5.156 9.571 20 HB3 SER 3 HB3 SER 3 11.371 4.006 9.644 21 HG SER 3 HG SER 3 12.759 2.664 8.243 22 H ARG 4 H ARG 4 12.434 3.027 5.981 23 HA ARG 4 HA ARG 4 10.029 2.327 4.802 24 HB2 ARG 4 HB2 ARG 4 12.270 1.662 3.978 25 HB3 ARG 4 HB3 ARG 4 12.426 0.544 5.329 26 HG2 ARG 4 HG2 ARG 4 10.527 -0.759 4.530 27 HG3 ARG 4 HG3 ARG 4 10.227 0.409 3.244 28 HD2 ARG 4 HD2 ARG 4 12.383 -0.095 2.225 29 HD3 ARG 4 HD3 ARG 4 12.790 -1.176 3.556 30 HE ARG 4 HE ARG 4 11.420 -2.800 2.609 31 HH11 ARG 4 HH11 ARG 4 10.802 0.278 1.043 32 HH12 ARG 4 HH12 ARG 4 9.840 -0.430 -0.212 33 HH21 ARG 4 HH21 ARG 4 10.179 -3.669 0.961 34 HH22 ARG 4 HH22 ARG 4 9.489 -2.647 -0.256 35 H GLU 5 H GLU 5 11.572 0.970 7.687 36 HA GLU 5 HA GLU 5 9.780 -1.138 8.179 37 HB2 GLU 5 HB2 GLU 5 10.512 -0.974 10.550 38 HB3 GLU 5 HB3 GLU 5 11.867 -0.974 9.424 39 HG2 GLU 5 HG2 GLU 5 11.864 1.544 9.558 40 HG3 GLU 5 HG3 GLU 5 10.671 1.432 10.840 41 H GLU 6 H GLU 6 9.678 2.260 9.134 42 HA GLU 6 HA GLU 6 7.443 2.103 10.799 43 HB2 GLU 6 HB2 GLU 6 8.607 4.383 9.200 44 HB3 GLU 6 HB3 GLU 6 7.230 4.590 10.282 45 HG2 GLU 6 HG2 GLU 6 9.868 3.387 11.156 46 HG3 GLU 6 HG3 GLU 6 9.477 5.096 11.330 47 H ILE 7 H ILE 7 7.708 2.610 7.311 48 HA ILE 7 HA ILE 7 4.960 3.234 6.857 49 HB ILE 7 HB ILE 7 6.894 1.921 4.926 50 HG12 ILE 7 HG12 ILE 7 7.931 3.982 5.758 51 HG13 ILE 7 HG13 ILE 7 7.373 4.226 4.114 52 HG21 ILE 7 HG21 ILE 7 5.476 2.972 3.200 53 HG22 ILE 7 HG22 ILE 7 4.414 3.603 4.460 54 HG23 ILE 7 HG23 ILE 7 4.547 1.861 4.208 55 HD11 ILE 7 HD11 ILE 7 6.579 6.162 5.030 56 HD12 ILE 7 HD12 ILE 7 6.387 5.459 6.637 57 HD13 ILE 7 HD13 ILE 7 5.195 5.127 5.382 58 H PHE 8 H PHE 8 6.763 0.228 6.172 59 HA PHE 8 HA PHE 8 4.620 -1.390 5.590 60 HB2 PHE 8 HB2 PHE 8 6.982 -2.006 5.238 61 HB3 PHE 8 HB3 PHE 8 7.196 -2.184 6.976 62 HD1 PHE 8 HD1 PHE 8 5.335 -3.511 4.033 63 HD2 PHE 8 HD2 PHE 8 6.543 -4.189 8.099 64 HE1 PHE 8 HE1 PHE 8 4.520 -5.849 3.885 65 HE2 PHE 8 HE2 PHE 8 5.730 -6.527 7.951 66 HZ PHE 8 HZ PHE 8 4.718 -7.356 5.844 67 H SER 9 H SER 9 6.079 -0.870 8.842 68 HA SER 9 HA SER 9 4.467 -2.709 10.219 69 HB2 SER 9 HB2 SER 9 5.764 -0.150 11.168 70 HB3 SER 9 HB3 SER 9 5.023 -1.339 12.236 71 HG SER 9 HG SER 9 6.504 -2.861 11.490 72 H LYS 10 H LYS 10 3.968 0.790 9.687 73 HA LYS 10 HA LYS 10 1.509 0.928 11.109 74 HB2 LYS 10 HB2 LYS 10 2.727 2.715 9.003 75 HB3 LYS 10 HB3 LYS 10 1.217 3.082 9.836 76 HG2 LYS 10 HG2 LYS 10 2.381 2.976 12.008 77 HG3 LYS 10 HG3 LYS 10 3.894 2.606 11.181 78 HD2 LYS 10 HD2 LYS 10 3.812 4.760 10.013 79 HD3 LYS 10 HD3 LYS 10 2.262 5.130 10.769 80 HE2 LYS 10 HE2 LYS 10 4.060 6.255 11.991 81 HE3 LYS 10 HE3 LYS 10 3.350 4.999 13.005 82 HZ1 LYS 10 HZ1 LYS 10 5.941 5.218 12.670 83 HZ2 LYS 10 HZ2 LYS 10 5.612 4.252 11.312 84 HZ3 LYS 10 HZ3 LYS 10 5.192 3.710 12.867 85 H VAL 11 H VAL 11 2.307 0.401 7.730 86 HA VAL 11 HA VAL 11 -0.292 0.547 6.662 87 HB VAL 11 HB VAL 11 2.207 -0.894 5.736 88 HG11 VAL 11 HG11 VAL 11 1.020 -0.986 3.488 89 HG12 VAL 11 HG12 VAL 11 -0.477 -0.601 4.341 90 HG13 VAL 11 HG13 VAL 11 0.385 -2.100 4.699 91 HG21 VAL 11 HG21 VAL 11 1.976 1.694 5.832 92 HG22 VAL 11 HG22 VAL 11 0.853 1.505 4.490 93 HG23 VAL 11 HG23 VAL 11 2.525 0.972 4.321 94 H LYS 12 H LYS 12 1.600 -2.161 7.952 95 HA LYS 12 HA LYS 12 -0.325 -4.180 7.493 96 HB2 LYS 12 HB2 LYS 12 2.058 -4.640 8.133 97 HB3 LYS 12 HB3 LYS 12 1.676 -4.075 9.760 98 HG2 LYS 12 HG2 LYS 12 -0.337 -5.908 9.368 99 HG3 LYS 12 HG3 LYS 12 0.951 -6.630 8.413 100 HD2 LYS 12 HD2 LYS 12 2.409 -6.738 10.327 101 HD3 LYS 12 HD3 LYS 12 1.321 -5.740 11.283 102 HE2 LYS 12 HE2 LYS 12 -0.075 -7.480 11.770 103 HE3 LYS 12 HE3 LYS 12 0.079 -8.215 10.169 104 HZ1 LYS 12 HZ1 LYS 12 1.125 -9.645 11.737 105 HZ2 LYS 12 HZ2 LYS 12 2.011 -8.370 12.430 106 HZ3 LYS 12 HZ3 LYS 12 2.365 -8.896 10.861 107 H SER 13 H SER 13 0.170 -1.909 10.178 108 HA SER 13 HA SER 13 -1.581 -3.055 12.021 109 HB2 SER 13 HB2 SER 13 -0.866 -0.157 11.562 110 HB3 SER 13 HB3 SER 13 -1.753 -0.746 12.966 111 HG SER 13 HG SER 13 0.120 -1.225 13.763 112 H ILE 14 H ILE 14 -2.322 -0.754 9.377 113 HA ILE 14 HA ILE 14 -5.061 -0.483 10.184 114 HB ILE 14 HB ILE 14 -3.824 0.087 7.475 115 HG12 ILE 14 HG12 ILE 14 -2.621 1.369 9.182 116 HG13 ILE 14 HG13 ILE 14 -3.662 2.454 8.269 117 HG21 ILE 14 HG21 ILE 14 -5.724 1.468 7.046 118 HG22 ILE 14 HG22 ILE 14 -6.271 1.355 8.719 119 HG23 ILE 14 HG23 ILE 14 -6.363 -0.054 7.667 120 HD11 ILE 14 HD11 ILE 14 -3.813 1.634 11.135 121 HD12 ILE 14 HD12 ILE 14 -5.353 1.824 10.301 122 HD13 ILE 14 HD13 ILE 14 -4.223 3.175 10.386 123 H ILE 15 H ILE 15 -3.455 -2.270 7.527 124 HA ILE 15 HA ILE 15 -5.776 -3.452 6.494 125 HB ILE 15 HB ILE 15 -2.880 -4.346 6.382 126 HG12 ILE 15 HG12 ILE 15 -4.559 -2.969 4.268 127 HG13 ILE 15 HG13 ILE 15 -3.594 -2.068 5.434 128 HG21 ILE 15 HG21 ILE 15 -5.302 -5.274 4.791 129 HG22 ILE 15 HG22 ILE 15 -4.273 -6.268 5.824 130 HG23 ILE 15 HG23 ILE 15 -3.633 -5.603 4.320 131 HD11 ILE 15 HD11 ILE 15 -2.491 -2.573 3.162 132 HD12 ILE 15 HD12 ILE 15 -2.388 -4.245 3.715 133 HD13 ILE 15 HD13 ILE 15 -1.554 -2.969 4.604 134 H SER 16 H SER 16 -3.378 -4.852 8.739 135 HA SER 16 HA SER 16 -4.667 -7.337 9.033 136 HB2 SER 16 HB2 SER 16 -2.663 -5.915 10.780 137 HB3 SER 16 HB3 SER 16 -3.218 -7.558 11.076 138 HG SER 16 HG SER 16 -2.568 -7.969 8.839 139 H GLU 17 H GLU 17 -4.959 -4.351 10.844 140 HA GLU 17 HA GLU 17 -6.407 -5.381 13.049 141 HB2 GLU 17 HB2 GLU 17 -5.286 -3.231 13.164 142 HB3 GLU 17 HB3 GLU 17 -6.297 -2.589 11.877 143 HG2 GLU 17 HG2 GLU 17 -8.293 -2.880 13.324 144 HG3 GLU 17 HG3 GLU 17 -7.264 -3.505 14.608 145 H LYS 18 H LYS 18 -7.458 -3.974 9.954 146 HA LYS 18 HA LYS 18 -10.242 -4.272 10.713 147 HB2 LYS 18 HB2 LYS 18 -8.931 -3.190 8.221 148 HB3 LYS 18 HB3 LYS 18 -10.677 -3.241 8.474 149 HG2 LYS 18 HG2 LYS 18 -10.434 -1.885 10.515 150 HG3 LYS 18 HG3 LYS 18 -8.686 -1.844 10.288 151 HD2 LYS 18 HD2 LYS 18 -8.983 -0.675 8.141 152 HD3 LYS 18 HD3 LYS 18 -10.735 -0.727 8.350 153 HE2 LYS 18 HE2 LYS 18 -9.889 1.459 9.058 154 HE3 LYS 18 HE3 LYS 18 -10.499 0.577 10.457 155 HZ1 LYS 18 HZ1 LYS 18 -8.439 0.331 11.320 156 HZ2 LYS 18 HZ2 LYS 18 -8.117 1.729 10.404 157 HZ3 LYS 18 HZ3 LYS 18 -7.684 0.198 9.805 158 H LEU 19 H LEU 19 -7.946 -6.214 9.083 159 HA LEU 19 HA LEU 19 -10.058 -7.762 7.703 160 HB2 LEU 19 HB2 LEU 19 -7.090 -7.511 7.328 161 HB3 LEU 19 HB3 LEU 19 -7.907 -8.959 6.785 162 HG LEU 19 HG LEU 19 -7.625 -7.260 5.008 163 HD11 LEU 19 HD11 LEU 19 -9.516 -8.953 5.086 164 HD12 LEU 19 HD12 LEU 19 -9.800 -7.549 4.059 165 HD13 LEU 19 HD13 LEU 19 -10.552 -7.644 5.652 166 HD21 LEU 19 HD21 LEU 19 -9.563 -5.614 6.662 167 HD22 LEU 19 HD22 LEU 19 -9.109 -5.259 4.997 168 HD23 LEU 19 HD23 LEU 19 -7.899 -5.185 6.273 169 H GLY 20 H GLY 20 -7.674 -7.884 10.227 170 HA2 GLY 20 HA2 GLY 20 -7.377 -9.405 11.965 171 HA3 GLY 20 HA3 GLY 20 -8.745 -10.328 11.338 172 H VAL 21 H VAL 21 -5.751 -9.288 9.767 173 HA VAL 21 HA VAL 21 -5.020 -12.133 9.300 174 HB VAL 21 HB VAL 21 -4.703 -9.882 7.296 175 HG11 VAL 21 HG11 VAL 21 -3.022 -11.546 6.950 176 HG12 VAL 21 HG12 VAL 21 -4.280 -11.874 5.760 177 HG13 VAL 21 HG13 VAL 21 -4.166 -12.861 7.213 178 HG21 VAL 21 HG21 VAL 21 -7.112 -10.648 7.738 179 HG22 VAL 21 HG22 VAL 21 -6.625 -12.229 7.130 180 HG23 VAL 21 HG23 VAL 21 -6.555 -10.818 6.074 181 H ASP 22 H ASP 22 -2.816 -12.627 9.303 182 HA ASP 22 HA ASP 22 -1.112 -10.629 10.568 183 HB2 ASP 22 HB2 ASP 22 -1.336 -13.208 11.144 184 HB3 ASP 22 HB3 ASP 22 -0.118 -13.354 9.877 185 H GLU 23 H GLU 23 0.813 -9.950 9.786 186 HA GLU 23 HA GLU 23 1.044 -9.104 7.229 187 HB2 GLU 23 HB2 GLU 23 3.405 -8.697 7.591 188 HB3 GLU 23 HB3 GLU 23 2.495 -8.338 9.049 189 HG2 GLU 23 HG2 GLU 23 3.040 -10.777 9.739 190 HG3 GLU 23 HG3 GLU 23 4.261 -10.694 8.470 191 H SER 24 H SER 24 1.542 -12.437 8.122 192 HA SER 24 HA SER 24 3.401 -13.259 6.199 193 HB2 SER 24 HB2 SER 24 0.961 -14.701 7.275 194 HB3 SER 24 HB3 SER 24 2.221 -15.467 6.311 195 HG SER 24 HG SER 24 2.210 -14.716 8.946 196 H GLN 25 H GLN 25 -0.079 -12.661 5.985 197 HA GLN 25 HA GLN 25 -0.355 -13.418 3.216 198 HB2 GLN 25 HB2 GLN 25 -2.052 -11.806 5.119 199 HB3 GLN 25 HB3 GLN 25 -2.492 -12.043 3.429 200 HG2 GLN 25 HG2 GLN 25 -1.874 -14.340 5.290 201 HG3 GLN 25 HG3 GLN 25 -3.506 -13.712 5.059 202 HE21 GLN 25 HE21 GLN 25 -3.811 -13.290 2.405 203 HE22 GLN 25 HE22 GLN 25 -3.472 -14.696 1.505 204 H VAL 26 H VAL 26 0.703 -10.609 4.938 205 HA VAL 26 HA VAL 26 0.372 -8.744 2.768 206 HB VAL 26 HB VAL 26 1.831 -8.492 5.408 207 HG11 VAL 26 HG11 VAL 26 2.518 -6.891 3.513 208 HG12 VAL 26 HG12 VAL 26 1.991 -6.158 5.026 209 HG13 VAL 26 HG13 VAL 26 0.892 -6.222 3.650 210 HG21 VAL 26 HG21 VAL 26 -0.901 -7.485 4.551 211 HG22 VAL 26 HG22 VAL 26 -0.155 -7.239 6.130 212 HG23 VAL 26 HG23 VAL 26 -0.617 -8.861 5.616 213 H THR 27 H THR 27 1.757 -8.477 1.130 214 HA THR 27 HA THR 27 4.624 -8.963 1.541 215 HB THR 27 HB THR 27 3.331 -10.154 -0.905 216 HG1 THR 27 HG1 THR 27 3.926 -11.497 1.503 217 HG21 THR 27 HG21 THR 27 5.908 -10.743 0.571 218 HG22 THR 27 HG22 THR 27 5.775 -9.758 -0.884 219 HG23 THR 27 HG23 THR 27 5.393 -11.477 -0.947 220 H GLU 28 H GLU 28 5.934 -7.923 0.013 221 HA GLU 28 HA GLU 28 4.975 -5.467 -0.970 222 HB2 GLU 28 HB2 GLU 28 7.443 -7.075 -1.644 223 HB3 GLU 28 HB3 GLU 28 7.139 -5.459 -2.280 224 HG2 GLU 28 HG2 GLU 28 6.996 -4.570 0.010 225 HG3 GLU 28 HG3 GLU 28 7.272 -6.185 0.661 226 H GLU 29 H GLU 29 5.028 -8.692 -2.312 227 HA GLU 29 HA GLU 29 4.196 -7.669 -4.959 228 HB2 GLU 29 HB2 GLU 29 5.213 -10.404 -4.163 229 HB3 GLU 29 HB3 GLU 29 4.728 -9.933 -5.792 230 HG2 GLU 29 HG2 GLU 29 6.447 -8.135 -5.748 231 HG3 GLU 29 HG3 GLU 29 6.966 -8.698 -4.162 232 H ALA 30 H ALA 30 2.784 -8.772 -2.157 233 HA ALA 30 HA ALA 30 0.754 -10.463 -3.357 234 HB1 ALA 30 HB1 ALA 30 -0.284 -10.136 -0.993 235 HB2 ALA 30 HB2 ALA 30 1.275 -9.419 -0.588 236 HB3 ALA 30 HB3 ALA 30 1.192 -11.090 -1.147 237 H LYS 31 H LYS 31 -1.291 -9.899 -3.877 238 HA LYS 31 HA LYS 31 -1.874 -7.063 -4.192 239 HB2 LYS 31 HB2 LYS 31 -3.491 -9.516 -4.865 240 HB3 LYS 31 HB3 LYS 31 -3.917 -7.874 -5.319 241 HG2 LYS 31 HG2 LYS 31 -1.237 -9.000 -6.121 242 HG3 LYS 31 HG3 LYS 31 -2.677 -9.437 -7.039 243 HD2 LYS 31 HD2 LYS 31 -3.159 -6.911 -7.170 244 HD3 LYS 31 HD3 LYS 31 -1.500 -6.684 -6.621 245 HE2 LYS 31 HE2 LYS 31 -1.532 -6.632 -9.056 246 HE3 LYS 31 HE3 LYS 31 -0.723 -8.107 -8.529 247 HZ1 LYS 31 HZ1 LYS 31 -3.428 -8.721 -8.689 248 HZ2 LYS 31 HZ2 LYS 31 -2.185 -9.231 -9.734 249 HZ3 LYS 31 HZ3 LYS 31 -3.070 -7.827 -10.090 250 H LEU 32 H LEU 32 -3.173 -5.917 -2.877 251 HA LEU 32 HA LEU 32 -4.027 -6.929 -0.380 252 HB2 LEU 32 HB2 LEU 32 -4.758 -4.444 -1.930 253 HB3 LEU 32 HB3 LEU 32 -5.395 -4.778 -0.320 254 HG LEU 32 HG LEU 32 -2.415 -4.830 -0.897 255 HD11 LEU 32 HD11 LEU 32 -2.472 -2.506 0.180 256 HD12 LEU 32 HD12 LEU 32 -4.209 -2.505 -0.128 257 HD13 LEU 32 HD13 LEU 32 -3.074 -2.592 -1.474 258 HD21 LEU 32 HD21 LEU 32 -2.438 -4.271 1.610 259 HD22 LEU 32 HD22 LEU 32 -2.973 -5.891 1.172 260 HD23 LEU 32 HD23 LEU 32 -4.159 -4.652 1.577 261 H ILE 33 H ILE 33 -5.710 -6.606 -3.485 262 HA ILE 33 HA ILE 33 -8.244 -7.383 -2.322 263 HB ILE 33 HB ILE 33 -8.128 -5.716 -4.133 264 HG12 ILE 33 HG12 ILE 33 -9.583 -8.175 -5.132 265 HG13 ILE 33 HG13 ILE 33 -10.133 -7.276 -3.717 266 HG21 ILE 33 HG21 ILE 33 -7.385 -8.045 -5.928 267 HG22 ILE 33 HG22 ILE 33 -6.231 -6.841 -5.356 268 HG23 ILE 33 HG23 ILE 33 -7.567 -6.354 -6.397 269 HD11 ILE 33 HD11 ILE 33 -11.322 -6.433 -5.656 270 HD12 ILE 33 HD12 ILE 33 -9.809 -6.206 -6.537 271 HD13 ILE 33 HD13 ILE 33 -10.173 -5.198 -5.137 272 H ASP 34 H ASP 34 -5.881 -8.939 -4.515 273 HA ASP 34 HA ASP 34 -7.514 -11.340 -4.633 274 HB2 ASP 34 HB2 ASP 34 -4.723 -10.847 -5.675 275 HB3 ASP 34 HB3 ASP 34 -5.741 -12.224 -6.064 276 H ASP 35 H ASP 35 -4.258 -10.557 -3.405 277 HA ASP 35 HA ASP 35 -3.825 -13.102 -2.224 278 HB2 ASP 35 HB2 ASP 35 -2.095 -11.347 -2.935 279 HB3 ASP 35 HB3 ASP 35 -2.420 -10.592 -1.378 280 H LEU 36 H LEU 36 -5.327 -10.152 -0.978 281 HA LEU 36 HA LEU 36 -5.473 -11.454 1.679 282 HB2 LEU 36 HB2 LEU 36 -5.101 -8.622 0.854 283 HB3 LEU 36 HB3 LEU 36 -6.018 -8.925 2.322 284 HG LEU 36 HG LEU 36 -3.319 -10.215 1.847 285 HD11 LEU 36 HD11 LEU 36 -2.789 -7.898 1.694 286 HD12 LEU 36 HD12 LEU 36 -2.470 -8.326 3.373 287 HD13 LEU 36 HD13 LEU 36 -3.951 -7.467 2.947 288 HD21 LEU 36 HD21 LEU 36 -4.986 -9.561 4.297 289 HD22 LEU 36 HD22 LEU 36 -3.358 -10.238 4.357 290 HD23 LEU 36 HD23 LEU 36 -4.672 -11.165 3.634 291 H GLY 37 H GLY 37 -7.373 -10.190 -0.967 292 HA2 GLY 37 HA2 GLY 37 -9.654 -10.673 -1.293 293 HA3 GLY 37 HA3 GLY 37 -9.770 -11.152 0.389 294 H ALA 38 H ALA 38 -8.326 -8.055 -0.370 295 HA ALA 38 HA ALA 38 -10.647 -6.729 0.879 296 HB1 ALA 38 HB1 ALA 38 -7.757 -6.016 0.524 297 HB2 ALA 38 HB2 ALA 38 -8.752 -5.959 1.980 298 HB3 ALA 38 HB3 ALA 38 -8.940 -4.726 0.732 299 H ASP 39 H ASP 39 -12.155 -6.300 -0.627 300 HA ASP 39 HA ASP 39 -11.654 -5.836 -3.356 301 HB2 ASP 39 HB2 ASP 39 -13.994 -5.201 -3.512 302 HB3 ASP 39 HB3 ASP 39 -13.818 -6.597 -2.461 303 H SER 40 H SER 40 -12.529 -3.822 -4.488 304 HA SER 40 HA SER 40 -10.788 -1.732 -4.192 305 HB2 SER 40 HB2 SER 40 -12.340 -0.387 -5.546 306 HB3 SER 40 HB3 SER 40 -12.198 -2.029 -6.169 307 HG SER 40 HG SER 40 -14.254 -0.992 -4.500 308 H LEU 41 H LEU 41 -13.978 -2.041 -2.642 309 HA LEU 41 HA LEU 41 -14.049 0.556 -1.497 310 HB2 LEU 41 HB2 LEU 41 -16.035 -0.922 -1.603 311 HB3 LEU 41 HB3 LEU 41 -15.270 -2.033 -0.474 312 HG LEU 41 HG LEU 41 -15.199 -0.178 1.220 313 HD11 LEU 41 HD11 LEU 41 -15.273 1.784 -0.181 314 HD12 LEU 41 HD12 LEU 41 -16.760 1.767 0.767 315 HD13 LEU 41 HD13 LEU 41 -16.787 1.264 -0.923 316 HD21 LEU 41 HD21 LEU 41 -17.894 -0.950 0.066 317 HD22 LEU 41 HD22 LEU 41 -17.676 -0.201 1.649 318 HD23 LEU 41 HD23 LEU 41 -16.999 -1.797 1.327 319 H ASP 42 H ASP 42 -12.928 -2.564 -0.284 320 HA ASP 42 HA ASP 42 -12.027 -1.745 2.256 321 HB2 ASP 42 HB2 ASP 42 -11.055 -3.968 0.440 322 HB3 ASP 42 HB3 ASP 42 -10.492 -3.753 2.088 323 H LEU 43 H LEU 43 -10.392 -1.885 -0.878 324 HA LEU 43 HA LEU 43 -7.812 -1.170 -0.057 325 HB2 LEU 43 HB2 LEU 43 -8.369 -2.126 -2.268 326 HB3 LEU 43 HB3 LEU 43 -9.199 -0.638 -2.699 327 HG LEU 43 HG LEU 43 -7.038 0.604 -2.388 328 HD11 LEU 43 HD11 LEU 43 -4.943 -0.779 -2.365 329 HD12 LEU 43 HD12 LEU 43 -5.935 -2.205 -2.064 330 HD13 LEU 43 HD13 LEU 43 -5.876 -0.905 -0.873 331 HD21 LEU 43 HD21 LEU 43 -7.698 -0.055 -4.625 332 HD22 LEU 43 HD22 LEU 43 -7.089 -1.690 -4.368 333 HD23 LEU 43 HD23 LEU 43 -5.965 -0.335 -4.460 334 H VAL 44 H VAL 44 -10.552 0.845 -1.137 335 HA VAL 44 HA VAL 44 -9.190 3.305 -1.141 336 HB VAL 44 HB VAL 44 -12.120 2.634 -0.756 337 HG11 VAL 44 HG11 VAL 44 -12.516 5.041 -1.409 338 HG12 VAL 44 HG12 VAL 44 -10.797 5.337 -1.160 339 HG13 VAL 44 HG13 VAL 44 -11.810 4.845 0.195 340 HG21 VAL 44 HG21 VAL 44 -10.866 2.112 -2.942 341 HG22 VAL 44 HG22 VAL 44 -10.737 3.857 -3.153 342 HG23 VAL 44 HG23 VAL 44 -12.325 3.091 -3.082 343 H ASP 45 H ASP 45 -11.064 1.696 1.420 344 HA ASP 45 HA ASP 45 -10.849 3.725 3.359 345 HB2 ASP 45 HB2 ASP 45 -11.211 0.735 3.591 346 HB3 ASP 45 HB3 ASP 45 -11.247 1.809 4.982 347 H LEU 46 H LEU 46 -8.771 0.953 2.630 348 HA LEU 46 HA LEU 46 -7.000 1.231 4.830 349 HB2 LEU 46 HB2 LEU 46 -6.629 0.000 2.091 350 HB3 LEU 46 HB3 LEU 46 -5.439 -0.122 3.386 351 HG LEU 46 HG LEU 46 -8.323 -0.971 3.740 352 HD11 LEU 46 HD11 LEU 46 -5.924 -2.531 2.760 353 HD12 LEU 46 HD12 LEU 46 -7.522 -2.414 2.026 354 HD13 LEU 46 HD13 LEU 46 -7.303 -3.324 3.520 355 HD21 LEU 46 HD21 LEU 46 -7.196 -0.594 5.834 356 HD22 LEU 46 HD22 LEU 46 -5.760 -1.456 5.282 357 HD23 LEU 46 HD23 LEU 46 -7.258 -2.337 5.583 358 H VAL 47 H VAL 47 -6.654 2.319 1.430 359 HA VAL 47 HA VAL 47 -4.199 3.611 1.821 360 HB VAL 47 HB VAL 47 -5.038 3.051 -0.416 361 HG11 VAL 47 HG11 VAL 47 -7.007 5.308 0.082 362 HG12 VAL 47 HG12 VAL 47 -7.405 3.601 -0.101 363 HG13 VAL 47 HG13 VAL 47 -6.758 4.503 -1.467 364 HG21 VAL 47 HG21 VAL 47 -3.363 4.927 0.005 365 HG22 VAL 47 HG22 VAL 47 -4.704 6.051 -0.208 366 HG23 VAL 47 HG23 VAL 47 -4.219 4.997 -1.537 367 H MET 48 H MET 48 -7.533 4.799 2.211 368 HA MET 48 HA MET 48 -6.973 7.513 2.598 369 HB2 MET 48 HB2 MET 48 -9.255 6.506 2.349 370 HB3 MET 48 HB3 MET 48 -9.108 5.859 3.981 371 HG2 MET 48 HG2 MET 48 -10.340 7.932 4.129 372 HG3 MET 48 HG3 MET 48 -8.732 8.224 4.791 373 HE1 MET 48 HE1 MET 48 -9.435 11.615 3.155 374 HE2 MET 48 HE2 MET 48 -8.876 10.746 4.582 375 HE3 MET 48 HE3 MET 48 -10.541 10.557 4.041 376 H ASP 49 H ASP 49 -7.096 4.816 4.920 377 HA ASP 49 HA ASP 49 -6.638 6.225 7.271 378 HB2 ASP 49 HB2 ASP 49 -7.088 3.715 7.003 379 HB3 ASP 49 HB3 ASP 49 -5.349 3.539 6.752 380 H PHE 50 H PHE 50 -4.306 5.105 4.850 381 HA PHE 50 HA PHE 50 -2.009 6.107 6.336 382 HB2 PHE 50 HB2 PHE 50 -1.918 5.577 3.373 383 HB3 PHE 50 HB3 PHE 50 -0.640 5.399 4.564 384 HD1 PHE 50 HD1 PHE 50 -2.166 3.486 2.382 385 HD2 PHE 50 HD2 PHE 50 -1.951 3.714 6.668 386 HE1 PHE 50 HE1 PHE 50 -2.714 1.079 2.537 387 HE2 PHE 50 HE2 PHE 50 -2.500 1.305 6.816 388 HZ PHE 50 HZ PHE 50 -2.889 -0.007 4.747 389 H GLU 51 H GLU 51 -4.275 7.372 4.034 390 HA GLU 51 HA GLU 51 -2.825 9.497 2.895 391 HB2 GLU 51 HB2 GLU 51 -5.085 8.651 2.151 392 HB3 GLU 51 HB3 GLU 51 -5.788 9.481 3.535 393 HG2 GLU 51 HG2 GLU 51 -4.722 11.611 2.689 394 HG3 GLU 51 HG3 GLU 51 -4.298 10.732 1.221 395 H SER 52 H SER 52 -4.806 9.340 5.863 396 HA SER 52 HA SER 52 -4.222 12.129 6.495 397 HB2 SER 52 HB2 SER 52 -5.719 11.791 8.391 398 HB3 SER 52 HB3 SER 52 -6.470 11.202 6.910 399 HG SER 52 HG SER 52 -6.685 9.434 8.038 400 H GLU 53 H GLU 53 -3.427 8.910 7.731 401 HA GLU 53 HA GLU 53 -2.115 9.711 10.085 402 HB2 GLU 53 HB2 GLU 53 -1.737 7.284 8.333 403 HB3 GLU 53 HB3 GLU 53 -0.857 7.510 9.844 404 HG2 GLU 53 HG2 GLU 53 -3.881 7.537 9.591 405 HG3 GLU 53 HG3 GLU 53 -2.935 6.156 10.141 406 H PHE 54 H PHE 54 -0.747 9.151 6.815 407 HA PHE 54 HA PHE 54 1.859 10.082 7.703 408 HB2 PHE 54 HB2 PHE 54 0.807 9.174 5.023 409 HB3 PHE 54 HB3 PHE 54 2.455 9.738 5.267 410 HD1 PHE 54 HD1 PHE 54 0.056 7.039 5.882 411 HD2 PHE 54 HD2 PHE 54 4.008 8.486 6.739 412 HE1 PHE 54 HE1 PHE 54 0.694 4.796 6.727 413 HE2 PHE 54 HE2 PHE 54 4.646 6.243 7.582 414 HZ PHE 54 HZ PHE 54 2.989 4.398 7.577 415 H GLY 55 H GLY 55 -0.892 11.765 6.940 416 HA2 GLY 55 HA2 GLY 55 -1.289 13.957 6.326 417 HA3 GLY 55 HA3 GLY 55 0.412 14.256 6.684 418 H VAL 56 H VAL 56 -0.978 12.055 4.317 419 HA VAL 56 HA VAL 56 0.144 13.681 2.118 420 HB VAL 56 HB VAL 56 1.733 11.882 2.658 421 HG11 VAL 56 HG11 VAL 56 -0.397 9.872 1.904 422 HG12 VAL 56 HG12 VAL 56 -0.131 10.356 3.577 423 HG13 VAL 56 HG13 VAL 56 1.167 9.581 2.671 424 HG21 VAL 56 HG21 VAL 56 0.210 11.266 0.110 425 HG22 VAL 56 HG22 VAL 56 1.896 10.867 0.445 426 HG23 VAL 56 HG23 VAL 56 1.405 12.554 0.279 427 H LYS 57 H LYS 57 -1.098 13.843 0.346 428 HA LYS 57 HA LYS 57 -3.738 12.566 0.388 429 HB2 LYS 57 HB2 LYS 57 -3.642 15.012 0.027 430 HB3 LYS 57 HB3 LYS 57 -2.652 14.762 -1.407 431 HG2 LYS 57 HG2 LYS 57 -4.951 15.103 -2.121 432 HG3 LYS 57 HG3 LYS 57 -4.532 13.417 -2.401 433 HD2 LYS 57 HD2 LYS 57 -5.668 12.770 -0.317 434 HD3 LYS 57 HD3 LYS 57 -6.054 14.458 0.011 435 HE2 LYS 57 HE2 LYS 57 -7.404 14.567 -2.032 436 HE3 LYS 57 HE3 LYS 57 -6.978 12.900 -2.420 437 HZ1 LYS 57 HZ1 LYS 57 -7.963 12.278 -0.230 438 HZ2 LYS 57 HZ2 LYS 57 -9.082 12.864 -1.370 439 HZ3 LYS 57 HZ3 LYS 57 -8.555 13.866 -0.101 440 H VAL 58 H VAL 58 -4.519 11.284 -1.366 441 HA VAL 58 HA VAL 58 -2.364 10.231 -3.098 442 HB VAL 58 HB VAL 58 -3.678 8.144 -3.237 443 HG11 VAL 58 HG11 VAL 58 -2.972 9.135 -0.452 444 HG12 VAL 58 HG12 VAL 58 -1.913 8.291 -1.577 445 HG13 VAL 58 HG13 VAL 58 -3.274 7.446 -0.852 446 HG21 VAL 58 HG21 VAL 58 -5.587 7.774 -1.782 447 HG22 VAL 58 HG22 VAL 58 -5.905 9.236 -2.715 448 HG23 VAL 58 HG23 VAL 58 -5.390 9.357 -1.034 449 H ASP 59 H ASP 59 -2.714 9.807 -5.164 450 HA ASP 59 HA ASP 59 -4.826 11.326 -6.506 451 HB2 ASP 59 HB2 ASP 59 -2.387 11.450 -7.191 452 HB3 ASP 59 HB3 ASP 59 -2.542 9.791 -7.731 453 H ASP 60 H ASP 60 -6.479 10.430 -7.638 454 HA ASP 60 HA ASP 60 -7.340 7.798 -7.160 455 HB2 ASP 60 HB2 ASP 60 -7.958 9.672 -9.462 456 HB3 ASP 60 HB3 ASP 60 -8.767 8.127 -9.241 457 H ALA 61 H ALA 61 -5.314 9.193 -9.616 458 HA ALA 61 HA ALA 61 -4.992 6.903 -11.283 459 HB1 ALA 61 HB1 ALA 61 -2.816 8.914 -10.968 460 HB2 ALA 61 HB2 ALA 61 -4.342 9.436 -11.669 461 HB3 ALA 61 HB3 ALA 61 -3.414 8.142 -12.429 462 H ASP 62 H ASP 62 -3.284 8.154 -8.389 463 HA ASP 62 HA ASP 62 -1.158 6.289 -8.395 464 HB2 ASP 62 HB2 ASP 62 -2.460 7.786 -6.113 465 HB3 ASP 62 HB3 ASP 62 -1.106 6.698 -5.880 466 H LEU 63 H LEU 63 -4.450 6.161 -7.077 467 HA LEU 63 HA LEU 63 -4.252 3.770 -5.633 468 HB2 LEU 63 HB2 LEU 63 -6.249 5.239 -5.586 469 HB3 LEU 63 HB3 LEU 63 -6.618 4.788 -7.246 470 HG LEU 63 HG LEU 63 -6.815 2.396 -6.498 471 HD11 LEU 63 HD11 LEU 63 -6.424 3.674 -3.779 472 HD12 LEU 63 HD12 LEU 63 -5.491 2.361 -4.495 473 HD13 LEU 63 HD13 LEU 63 -7.159 2.086 -3.993 474 HD21 LEU 63 HD21 LEU 63 -8.989 2.735 -5.305 475 HD22 LEU 63 HD22 LEU 63 -8.823 3.748 -6.739 476 HD23 LEU 63 HD23 LEU 63 -8.589 4.445 -5.136 477 H GLU 64 H GLU 64 -5.022 4.311 -9.096 478 HA GLU 64 HA GLU 64 -5.313 1.600 -9.806 479 HB2 GLU 64 HB2 GLU 64 -6.035 3.552 -11.188 480 HB3 GLU 64 HB3 GLU 64 -4.340 3.890 -11.536 481 HG2 GLU 64 HG2 GLU 64 -4.096 1.672 -12.573 482 HG3 GLU 64 HG3 GLU 64 -5.777 1.298 -12.195 483 H LYS 65 H LYS 65 -2.493 3.687 -9.508 484 HA LYS 65 HA LYS 65 -0.611 1.858 -10.730 485 HB2 LYS 65 HB2 LYS 65 -0.143 4.241 -8.913 486 HB3 LYS 65 HB3 LYS 65 1.095 3.407 -9.846 487 HG2 LYS 65 HG2 LYS 65 0.181 4.145 -11.919 488 HG3 LYS 65 HG3 LYS 65 -1.326 4.648 -11.166 489 HD2 LYS 65 HD2 LYS 65 0.399 6.208 -9.752 490 HD3 LYS 65 HD3 LYS 65 1.325 6.032 -11.237 491 HE2 LYS 65 HE2 LYS 65 -0.162 7.284 -12.474 492 HE3 LYS 65 HE3 LYS 65 -1.562 6.751 -11.541 493 HZ1 LYS 65 HZ1 LYS 65 -0.992 9.109 -11.133 494 HZ2 LYS 65 HZ2 LYS 65 0.524 8.617 -10.535 495 HZ3 LYS 65 HZ3 LYS 65 -0.898 8.158 -9.730 496 H ILE 66 H ILE 66 -2.125 2.056 -7.686 497 HA ILE 66 HA ILE 66 -0.024 0.454 -6.342 498 HB ILE 66 HB ILE 66 -2.271 2.132 -5.173 499 HG12 ILE 66 HG12 ILE 66 0.721 2.547 -4.934 500 HG13 ILE 66 HG13 ILE 66 -0.221 3.284 -6.223 501 HG21 ILE 66 HG21 ILE 66 -0.857 1.685 -3.025 502 HG22 ILE 66 HG22 ILE 66 -0.238 0.295 -3.909 503 HG23 ILE 66 HG23 ILE 66 -1.961 0.427 -3.576 504 HD11 ILE 66 HD11 ILE 66 -0.386 3.777 -3.253 505 HD12 ILE 66 HD12 ILE 66 -1.751 4.162 -4.303 506 HD13 ILE 66 HD13 ILE 66 -0.195 4.949 -4.555 507 H SER 67 H SER 67 -0.415 -1.680 -6.461 508 HA SER 67 HA SER 67 -3.209 -2.621 -6.131 509 HB2 SER 67 HB2 SER 67 -2.606 -4.555 -7.514 510 HB3 SER 67 HB3 SER 67 -2.340 -3.052 -8.392 511 HG SER 67 HG SER 67 -0.457 -4.031 -8.673 512 H THR 68 H THR 68 0.209 -3.551 -5.638 513 HA THR 68 HA THR 68 -0.600 -5.416 -3.530 514 HB THR 68 HB THR 68 1.759 -6.178 -3.606 515 HG1 THR 68 HG1 THR 68 3.201 -5.143 -4.781 516 HG21 THR 68 HG21 THR 68 0.008 -7.090 -5.180 517 HG22 THR 68 HG22 THR 68 1.661 -7.227 -5.774 518 HG23 THR 68 HG23 THR 68 0.602 -5.964 -6.399 519 H VAL 69 H VAL 69 0.803 -5.487 -1.579 520 HA VAL 69 HA VAL 69 0.694 -3.032 -0.177 521 HB VAL 69 HB VAL 69 2.302 -5.505 0.517 522 HG11 VAL 69 HG11 VAL 69 2.394 -4.693 2.748 523 HG12 VAL 69 HG12 VAL 69 1.224 -3.420 2.415 524 HG13 VAL 69 HG13 VAL 69 2.848 -3.324 1.742 525 HG21 VAL 69 HG21 VAL 69 -0.406 -4.770 1.630 526 HG22 VAL 69 HG22 VAL 69 0.401 -6.337 1.641 527 HG23 VAL 69 HG23 VAL 69 -0.266 -5.705 0.141 528 H GLY 70 H GLY 70 3.182 -4.506 -2.156 529 HA2 GLY 70 HA2 GLY 70 5.456 -3.108 -1.236 530 HA3 GLY 70 HA3 GLY 70 5.238 -3.719 -2.877 531 H ASP 71 H ASP 71 2.987 -2.288 -3.633 532 HA ASP 71 HA ASP 71 4.081 0.191 -4.447 533 HB2 ASP 71 HB2 ASP 71 1.285 -0.939 -4.528 534 HB3 ASP 71 HB3 ASP 71 1.688 0.647 -5.179 535 H ILE 72 H ILE 72 1.823 -0.749 -1.861 536 HA ILE 72 HA ILE 72 1.067 1.853 -1.014 537 HB ILE 72 HB ILE 72 1.383 -0.736 0.551 538 HG12 ILE 72 HG12 ILE 72 -0.275 -0.801 -1.319 539 HG13 ILE 72 HG13 ILE 72 -1.003 -1.033 0.262 540 HG21 ILE 72 HG21 ILE 72 -0.300 0.388 2.139 541 HG22 ILE 72 HG22 ILE 72 0.174 1.905 1.376 542 HG23 ILE 72 HG23 ILE 72 1.375 0.935 2.227 543 HD11 ILE 72 HD11 ILE 72 -2.152 0.579 -1.465 544 HD12 ILE 72 HD12 ILE 72 -0.931 1.732 -0.938 545 HD13 ILE 72 HD13 ILE 72 -2.061 1.056 0.227 546 H VAL 73 H VAL 73 3.624 -0.338 0.113 547 HA VAL 73 HA VAL 73 4.776 1.357 2.030 548 HB VAL 73 HB VAL 73 5.930 -0.935 0.423 549 HG11 VAL 73 HG11 VAL 73 7.846 0.288 1.212 550 HG12 VAL 73 HG12 VAL 73 7.615 -1.054 2.332 551 HG13 VAL 73 HG13 VAL 73 7.096 0.569 2.784 552 HG21 VAL 73 HG21 VAL 73 5.440 -2.251 2.383 553 HG22 VAL 73 HG22 VAL 73 3.983 -1.346 1.973 554 HG23 VAL 73 HG23 VAL 73 5.007 -0.810 3.305 555 H SER 74 H SER 74 5.789 0.776 -1.354 556 HA SER 74 HA SER 74 7.950 2.579 -1.364 557 HB2 SER 74 HB2 SER 74 6.210 1.614 -3.637 558 HB3 SER 74 HB3 SER 74 7.717 2.500 -3.841 559 HG SER 74 HG SER 74 7.261 -0.105 -2.938 560 H TYR 75 H TYR 75 4.543 3.030 -2.081 561 HA TYR 75 HA TYR 75 4.630 5.555 -3.266 562 HB2 TYR 75 HB2 TYR 75 2.667 4.065 -3.260 563 HB3 TYR 75 HB3 TYR 75 2.466 4.338 -1.532 564 HD1 TYR 75 HD1 TYR 75 2.382 5.932 -4.875 565 HD2 TYR 75 HD2 TYR 75 1.443 6.349 -0.708 566 HE1 TYR 75 HE1 TYR 75 1.044 7.951 -5.380 567 HE2 TYR 75 HE2 TYR 75 0.102 8.371 -1.211 568 HH TYR 75 HH TYR 75 0.302 10.186 -3.494 569 H ILE 76 H ILE 76 4.167 4.689 0.163 570 HA ILE 76 HA ILE 76 3.978 7.390 1.058 571 HB ILE 76 HB ILE 76 4.705 4.930 2.692 572 HG12 ILE 76 HG12 ILE 76 1.989 6.171 2.133 573 HG13 ILE 76 HG13 ILE 76 2.578 4.720 1.361 574 HG21 ILE 76 HG21 ILE 76 5.135 7.062 3.843 575 HG22 ILE 76 HG22 ILE 76 3.699 6.309 4.534 576 HG23 ILE 76 HG23 ILE 76 3.533 7.650 3.402 577 HD11 ILE 76 HD11 ILE 76 2.373 4.949 4.368 578 HD12 ILE 76 HD12 ILE 76 2.597 3.490 3.405 579 HD13 ILE 76 HD13 ILE 76 1.053 4.340 3.372 580 H GLU 77 H GLU 77 6.666 5.069 0.904 581 HA GLU 77 HA GLU 77 8.570 6.591 2.312 582 HB2 GLU 77 HB2 GLU 77 8.851 4.543 0.122 583 HB3 GLU 77 HB3 GLU 77 10.244 5.271 0.916 584 HG2 GLU 77 HG2 GLU 77 9.323 4.492 3.106 585 HG3 GLU 77 HG3 GLU 77 8.035 3.670 2.226 586 H LYS 78 H LYS 78 7.725 6.539 -1.140 587 HA LYS 78 HA LYS 78 9.737 8.435 -1.909 588 HB2 LYS 78 HB2 LYS 78 7.279 7.337 -3.287 589 HB3 LYS 78 HB3 LYS 78 8.368 8.502 -4.043 590 HG2 LYS 78 HG2 LYS 78 10.247 6.966 -3.805 591 HG3 LYS 78 HG3 LYS 78 9.240 5.824 -2.918 592 HD2 LYS 78 HD2 LYS 78 9.326 4.997 -5.157 593 HD3 LYS 78 HD3 LYS 78 7.740 5.747 -4.988 594 HE2 LYS 78 HE2 LYS 78 8.709 6.456 -7.102 595 HE3 LYS 78 HE3 LYS 78 8.683 7.839 -6.007 596 HZ1 LYS 78 HZ1 LYS 78 10.819 7.427 -7.256 597 HZ2 LYS 78 HZ2 LYS 78 11.040 6.068 -6.263 598 HZ3 LYS 78 HZ3 LYS 78 10.962 7.619 -5.577 599 H LYS 79 H LYS 79 6.302 8.544 -1.153 600 HA LYS 79 HA LYS 79 5.763 11.202 -1.872 601 HB2 LYS 79 HB2 LYS 79 4.526 9.229 0.010 602 HB3 LYS 79 HB3 LYS 79 3.938 10.880 -0.027 603 HG2 LYS 79 HG2 LYS 79 4.258 9.262 -2.547 604 HG3 LYS 79 HG3 LYS 79 2.800 9.166 -1.570 605 HD2 LYS 79 HD2 LYS 79 2.203 11.399 -1.986 606 HD3 LYS 79 HD3 LYS 79 3.845 11.859 -2.427 607 HE2 LYS 79 HE2 LYS 79 3.655 11.017 -4.579 608 HE3 LYS 79 HE3 LYS 79 2.449 9.821 -4.130 609 HZ1 LYS 79 HZ1 LYS 79 1.019 11.249 -5.040 610 HZ2 LYS 79 HZ2 LYS 79 2.105 12.557 -4.962 611 HZ3 LYS 79 HZ3 LYS 79 1.180 12.136 -3.599 612 H LEU 80 H LEU 80 6.719 9.832 1.271 613 HA LEU 80 HA LEU 80 6.513 12.278 2.635 614 HB2 LEU 80 HB2 LEU 80 8.028 9.745 3.269 615 HB3 LEU 80 HB3 LEU 80 7.997 11.130 4.357 616 HG LEU 80 HG LEU 80 5.474 9.797 3.320 617 HD11 LEU 80 HD11 LEU 80 6.768 9.397 6.030 618 HD12 LEU 80 HD12 LEU 80 6.987 8.272 4.690 619 HD13 LEU 80 HD13 LEU 80 5.379 8.540 5.361 620 HD21 LEU 80 HD21 LEU 80 6.103 11.780 5.529 621 HD22 LEU 80 HD22 LEU 80 4.562 10.928 5.419 622 HD23 LEU 80 HD23 LEU 80 5.056 12.027 4.132 623 H GLY 81 H GLY 81 9.017 10.884 0.666 624 HA2 GLY 81 HA2 GLY 81 10.660 12.314 -0.373 625 HA3 GLY 81 HA3 GLY 81 10.665 13.304 1.084 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 11.239 13.340 10.966 2 H2 MET 1 HT2 MET 1 10.015 12.211 11.308 3 H3 MET 1 HT3 MET 1 10.142 12.887 9.755 4 HA MET 1 HA MET 1 12.342 11.829 9.506 5 HB2 MET 1 HB2 MET 1 11.526 10.810 12.227 6 HB3 MET 1 HB3 MET 1 12.587 9.845 11.201 7 HG2 MET 1 HG2 MET 1 13.134 12.733 11.937 8 HG3 MET 1 HG3 MET 1 13.815 11.356 12.800 9 HE1 MET 1 HE1 MET 1 16.921 12.517 11.020 10 HE2 MET 1 HE2 MET 1 15.904 12.570 12.458 11 HE3 MET 1 HE3 MET 1 15.642 13.731 11.159 12 H ALA 2 H ALA 2 12.457 9.508 8.793 13 HA ALA 2 HA ALA 2 9.897 8.128 8.537 14 HB1 ALA 2 HB1 ALA 2 11.413 9.288 6.199 15 HB2 ALA 2 HB2 ALA 2 9.718 9.529 6.623 16 HB3 ALA 2 HB3 ALA 2 10.263 7.963 6.021 17 H SER 3 H SER 3 10.111 5.953 7.785 18 HA SER 3 HA SER 3 12.681 4.841 7.181 19 HB2 SER 3 HB2 SER 3 12.771 5.064 9.689 20 HB3 SER 3 HB3 SER 3 11.396 3.968 9.778 21 HG SER 3 HG SER 3 14.038 3.498 8.965 22 H ARG 4 H ARG 4 12.443 2.829 6.147 23 HA ARG 4 HA ARG 4 9.997 2.204 5.000 24 HB2 ARG 4 HB2 ARG 4 12.201 1.445 4.154 25 HB3 ARG 4 HB3 ARG 4 12.327 0.333 5.514 26 HG2 ARG 4 HG2 ARG 4 10.382 -0.906 4.759 27 HG3 ARG 4 HG3 ARG 4 10.071 0.276 3.487 28 HD2 ARG 4 HD2 ARG 4 12.191 -0.291 2.404 29 HD3 ARG 4 HD3 ARG 4 12.575 -1.417 3.703 30 HE ARG 4 HE ARG 4 11.105 -2.952 2.758 31 HH11 ARG 4 HH11 ARG 4 10.597 0.189 1.282 32 HH12 ARG 4 HH12 ARG 4 9.555 -0.436 0.047 33 HH21 ARG 4 HH21 ARG 4 9.748 -3.714 1.144 34 HH22 ARG 4 HH22 ARG 4 9.077 -2.628 -0.027 35 H GLU 5 H GLU 5 11.505 0.880 7.917 36 HA GLU 5 HA GLU 5 9.685 -1.182 8.463 37 HB2 GLU 5 HB2 GLU 5 10.362 -0.930 10.843 38 HB3 GLU 5 HB3 GLU 5 11.744 -0.976 9.752 39 HG2 GLU 5 HG2 GLU 5 11.739 1.549 9.787 40 HG3 GLU 5 HG3 GLU 5 10.519 1.482 11.047 41 H GLU 6 H GLU 6 9.584 2.248 9.285 42 HA GLU 6 HA GLU 6 7.272 2.151 10.858 43 HB2 GLU 6 HB2 GLU 6 8.596 4.371 9.306 44 HB3 GLU 6 HB3 GLU 6 7.117 4.640 10.226 45 HG2 GLU 6 HG2 GLU 6 9.619 3.421 11.420 46 HG3 GLU 6 HG3 GLU 6 9.249 5.144 11.495 47 H ILE 7 H ILE 7 7.710 2.562 7.366 48 HA ILE 7 HA ILE 7 4.993 3.211 6.808 49 HB ILE 7 HB ILE 7 6.929 1.803 4.949 50 HG12 ILE 7 HG12 ILE 7 8.048 3.833 5.740 51 HG13 ILE 7 HG13 ILE 7 7.499 4.079 4.088 52 HG21 ILE 7 HG21 ILE 7 4.590 1.836 4.204 53 HG22 ILE 7 HG22 ILE 7 5.582 2.878 3.184 54 HG23 ILE 7 HG23 ILE 7 4.538 3.586 4.417 55 HD11 ILE 7 HD11 ILE 7 6.609 5.415 6.587 56 HD12 ILE 7 HD12 ILE 7 5.355 5.063 5.399 57 HD13 ILE 7 HD13 ILE 7 6.746 6.048 4.947 58 H PHE 8 H PHE 8 6.759 0.164 6.203 59 HA PHE 8 HA PHE 8 4.593 -1.431 5.634 60 HB2 PHE 8 HB2 PHE 8 6.941 -2.073 5.269 61 HB3 PHE 8 HB3 PHE 8 7.169 -2.238 7.006 62 HD1 PHE 8 HD1 PHE 8 5.277 -3.580 4.087 63 HD2 PHE 8 HD2 PHE 8 6.508 -4.230 8.152 64 HE1 PHE 8 HE1 PHE 8 4.447 -5.914 3.966 65 HE2 PHE 8 HE2 PHE 8 5.679 -6.563 8.030 66 HZ PHE 8 HZ PHE 8 4.648 -7.405 5.938 67 H SER 9 H SER 9 6.059 -0.911 8.877 68 HA SER 9 HA SER 9 4.477 -2.755 10.268 69 HB2 SER 9 HB2 SER 9 6.466 -1.735 11.242 70 HB3 SER 9 HB3 SER 9 5.681 -0.158 11.243 71 HG SER 9 HG SER 9 5.634 -1.636 13.222 72 H LYS 10 H LYS 10 3.924 0.747 9.790 73 HA LYS 10 HA LYS 10 1.446 0.750 11.214 74 HB2 LYS 10 HB2 LYS 10 2.968 2.702 9.542 75 HB3 LYS 10 HB3 LYS 10 1.244 2.996 9.759 76 HG2 LYS 10 HG2 LYS 10 2.374 4.168 11.533 77 HG3 LYS 10 HG3 LYS 10 1.618 2.753 12.261 78 HD2 LYS 10 HD2 LYS 10 3.773 1.543 12.150 79 HD3 LYS 10 HD3 LYS 10 4.529 2.961 11.425 80 HE2 LYS 10 HE2 LYS 10 4.003 4.284 13.433 81 HE3 LYS 10 HE3 LYS 10 3.230 2.877 14.163 82 HZ1 LYS 10 HZ1 LYS 10 6.004 2.660 13.204 83 HZ2 LYS 10 HZ2 LYS 10 5.223 1.812 14.453 84 HZ3 LYS 10 HZ3 LYS 10 5.699 3.425 14.687 85 H VAL 11 H VAL 11 2.293 0.471 7.801 86 HA VAL 11 HA VAL 11 -0.304 0.701 6.741 87 HB VAL 11 HB VAL 11 2.166 -0.727 5.721 88 HG11 VAL 11 HG11 VAL 11 0.989 -0.686 3.483 89 HG12 VAL 11 HG12 VAL 11 -0.498 -0.276 4.335 90 HG13 VAL 11 HG13 VAL 11 0.293 -1.822 4.637 91 HG21 VAL 11 HG21 VAL 11 0.868 1.766 4.610 92 HG22 VAL 11 HG22 VAL 11 2.535 1.217 4.438 93 HG23 VAL 11 HG23 VAL 11 1.974 1.864 5.978 94 H LYS 12 H LYS 12 1.567 -2.112 7.809 95 HA LYS 12 HA LYS 12 -0.407 -4.063 7.257 96 HB2 LYS 12 HB2 LYS 12 1.988 -4.594 7.742 97 HB3 LYS 12 HB3 LYS 12 1.696 -4.170 9.428 98 HG2 LYS 12 HG2 LYS 12 -0.353 -6.039 8.576 99 HG3 LYS 12 HG3 LYS 12 1.215 -6.679 8.110 100 HD2 LYS 12 HD2 LYS 12 2.023 -6.554 10.385 101 HD3 LYS 12 HD3 LYS 12 0.592 -5.673 10.900 102 HE2 LYS 12 HE2 LYS 12 -0.676 -7.564 11.054 103 HE3 LYS 12 HE3 LYS 12 0.034 -8.302 9.617 104 HZ1 LYS 12 HZ1 LYS 12 0.598 -9.440 11.735 105 HZ2 LYS 12 HZ2 LYS 12 1.441 -8.045 12.223 106 HZ3 LYS 12 HZ3 LYS 12 1.955 -8.915 10.860 107 H SER 13 H SER 13 0.188 -1.989 10.069 108 HA SER 13 HA SER 13 -1.483 -3.255 11.908 109 HB2 SER 13 HB2 SER 13 -0.796 -0.330 11.594 110 HB3 SER 13 HB3 SER 13 -1.629 -1.004 12.991 111 HG SER 13 HG SER 13 0.207 -1.751 13.678 112 H ILE 14 H ILE 14 -2.328 -0.816 9.424 113 HA ILE 14 HA ILE 14 -5.037 -0.562 10.326 114 HB ILE 14 HB ILE 14 -3.888 0.048 7.591 115 HG12 ILE 14 HG12 ILE 14 -2.636 1.299 9.293 116 HG13 ILE 14 HG13 ILE 14 -3.680 2.399 8.400 117 HG21 ILE 14 HG21 ILE 14 -5.791 1.419 7.207 118 HG22 ILE 14 HG22 ILE 14 -6.292 1.336 8.895 119 HG23 ILE 14 HG23 ILE 14 -6.429 -0.085 7.863 120 HD11 ILE 14 HD11 ILE 14 -3.965 3.045 10.665 121 HD12 ILE 14 HD12 ILE 14 -4.002 1.376 11.231 122 HD13 ILE 14 HD13 ILE 14 -5.374 2.034 10.344 123 H ILE 15 H ILE 15 -3.525 -2.264 7.577 124 HA ILE 15 HA ILE 15 -5.867 -3.415 6.555 125 HB ILE 15 HB ILE 15 -2.976 -4.310 6.361 126 HG12 ILE 15 HG12 ILE 15 -4.681 -2.848 4.326 127 HG13 ILE 15 HG13 ILE 15 -3.698 -1.995 5.512 128 HG21 ILE 15 HG21 ILE 15 -4.352 -6.210 5.740 129 HG22 ILE 15 HG22 ILE 15 -3.791 -5.462 4.244 130 HG23 ILE 15 HG23 ILE 15 -5.439 -5.183 4.806 131 HD11 ILE 15 HD11 ILE 15 -2.480 -4.120 3.748 132 HD12 ILE 15 HD12 ILE 15 -1.678 -2.799 4.599 133 HD13 ILE 15 HD13 ILE 15 -2.661 -2.462 3.175 134 H SER 16 H SER 16 -3.433 -4.881 8.701 135 HA SER 16 HA SER 16 -4.715 -7.384 8.942 136 HB2 SER 16 HB2 SER 16 -2.654 -6.008 10.661 137 HB3 SER 16 HB3 SER 16 -3.174 -7.674 10.901 138 HG SER 16 HG SER 16 -1.887 -8.192 9.336 139 H GLU 17 H GLU 17 -4.893 -4.482 10.900 140 HA GLU 17 HA GLU 17 -6.278 -5.605 13.105 141 HB2 GLU 17 HB2 GLU 17 -5.085 -3.484 13.278 142 HB3 GLU 17 HB3 GLU 17 -6.161 -2.748 12.099 143 HG2 GLU 17 HG2 GLU 17 -8.071 -3.077 13.629 144 HG3 GLU 17 HG3 GLU 17 -7.004 -3.837 14.806 145 H LYS 18 H LYS 18 -7.391 -3.952 10.167 146 HA LYS 18 HA LYS 18 -10.163 -4.262 10.982 147 HB2 LYS 18 HB2 LYS 18 -8.902 -2.993 8.550 148 HB3 LYS 18 HB3 LYS 18 -10.639 -3.027 8.859 149 HG2 LYS 18 HG2 LYS 18 -10.288 -1.852 11.000 150 HG3 LYS 18 HG3 LYS 18 -8.551 -1.821 10.702 151 HD2 LYS 18 HD2 LYS 18 -8.915 -0.480 8.667 152 HD3 LYS 18 HD3 LYS 18 -10.657 -0.517 8.951 153 HE2 LYS 18 HE2 LYS 18 -9.736 1.590 9.790 154 HE3 LYS 18 HE3 LYS 18 -10.297 0.608 11.142 155 HZ1 LYS 18 HZ1 LYS 18 -8.216 0.305 11.906 156 HZ2 LYS 18 HZ2 LYS 18 -7.877 1.719 11.021 157 HZ3 LYS 18 HZ3 LYS 18 -7.532 0.194 10.354 158 H LEU 19 H LEU 19 -7.919 -6.032 9.083 159 HA LEU 19 HA LEU 19 -10.079 -7.434 7.648 160 HB2 LEU 19 HB2 LEU 19 -8.167 -6.489 6.334 161 HB3 LEU 19 HB3 LEU 19 -7.097 -7.603 7.177 162 HG LEU 19 HG LEU 19 -8.449 -9.507 6.314 163 HD11 LEU 19 HD11 LEU 19 -9.963 -8.969 4.335 164 HD12 LEU 19 HD12 LEU 19 -9.898 -7.282 4.846 165 HD13 LEU 19 HD13 LEU 19 -10.602 -8.500 5.911 166 HD21 LEU 19 HD21 LEU 19 -6.412 -8.644 5.145 167 HD22 LEU 19 HD22 LEU 19 -7.460 -7.645 4.137 168 HD23 LEU 19 HD23 LEU 19 -7.566 -9.404 4.049 169 H GLY 20 H GLY 20 -7.733 -7.845 10.179 170 HA2 GLY 20 HA2 GLY 20 -7.457 -9.564 11.702 171 HA3 GLY 20 HA3 GLY 20 -8.824 -10.385 10.952 172 H VAL 21 H VAL 21 -5.765 -9.288 9.534 173 HA VAL 21 HA VAL 21 -5.078 -12.117 8.921 174 HB VAL 21 HB VAL 21 -4.826 -9.770 7.018 175 HG11 VAL 21 HG11 VAL 21 -4.316 -12.721 6.558 176 HG12 VAL 21 HG12 VAL 21 -3.048 -11.523 6.820 177 HG13 VAL 21 HG13 VAL 21 -4.082 -11.414 5.395 178 HG21 VAL 21 HG21 VAL 21 -6.589 -12.230 6.803 179 HG22 VAL 21 HG22 VAL 21 -6.608 -10.809 5.762 180 HG23 VAL 21 HG23 VAL 21 -7.164 -10.686 7.431 181 H ASP 22 H ASP 22 -2.918 -12.680 9.089 182 HA ASP 22 HA ASP 22 -1.221 -10.746 10.438 183 HB2 ASP 22 HB2 ASP 22 -1.513 -13.070 11.296 184 HB3 ASP 22 HB3 ASP 22 -0.633 -13.643 9.878 185 H GLU 23 H GLU 23 0.879 -10.362 9.978 186 HA GLU 23 HA GLU 23 1.642 -9.285 7.654 187 HB2 GLU 23 HB2 GLU 23 3.037 -10.256 10.000 188 HB3 GLU 23 HB3 GLU 23 4.037 -10.533 8.584 189 HG2 GLU 23 HG2 GLU 23 4.212 -8.267 8.092 190 HG3 GLU 23 HG3 GLU 23 2.719 -7.860 8.927 191 H SER 24 H SER 24 1.644 -12.788 8.183 192 HA SER 24 HA SER 24 3.415 -13.585 6.190 193 HB2 SER 24 HB2 SER 24 2.422 -15.150 7.794 194 HB3 SER 24 HB3 SER 24 0.841 -14.931 7.048 195 HG SER 24 HG SER 24 1.637 -16.680 6.046 196 H GLN 25 H GLN 25 -0.022 -12.763 5.938 197 HA GLN 25 HA GLN 25 -0.239 -13.370 3.137 198 HB2 GLN 25 HB2 GLN 25 -1.928 -11.769 5.036 199 HB3 GLN 25 HB3 GLN 25 -2.342 -11.951 3.336 200 HG2 GLN 25 HG2 GLN 25 -1.858 -14.281 5.210 201 HG3 GLN 25 HG3 GLN 25 -3.458 -13.641 4.838 202 HE21 GLN 25 HE21 GLN 25 -3.573 -13.263 2.183 203 HE22 GLN 25 HE22 GLN 25 -3.163 -14.669 1.318 204 H VAL 26 H VAL 26 0.859 -10.619 4.952 205 HA VAL 26 HA VAL 26 0.541 -8.700 2.812 206 HB VAL 26 HB VAL 26 2.104 -8.563 5.418 207 HG11 VAL 26 HG11 VAL 26 2.835 -6.945 3.595 208 HG12 VAL 26 HG12 VAL 26 2.249 -6.188 5.076 209 HG13 VAL 26 HG13 VAL 26 1.207 -6.266 3.655 210 HG21 VAL 26 HG21 VAL 26 -0.640 -7.522 4.639 211 HG22 VAL 26 HG22 VAL 26 0.173 -7.185 6.168 212 HG23 VAL 26 HG23 VAL 26 -0.308 -8.834 5.769 213 H THR 27 H THR 27 1.854 -8.449 1.133 214 HA THR 27 HA THR 27 4.726 -9.000 1.404 215 HB THR 27 HB THR 27 3.293 -10.118 -0.999 216 HG1 THR 27 HG1 THR 27 2.722 -11.793 0.084 217 HG21 THR 27 HG21 THR 27 5.911 -10.841 0.336 218 HG22 THR 27 HG22 THR 27 5.761 -9.754 -1.044 219 HG23 THR 27 HG23 THR 27 5.315 -11.451 -1.207 220 H GLU 28 H GLU 28 5.983 -7.932 -0.141 221 HA GLU 28 HA GLU 28 4.997 -5.455 -1.053 222 HB2 GLU 28 HB2 GLU 28 7.448 -7.054 -1.816 223 HB3 GLU 28 HB3 GLU 28 7.129 -5.428 -2.417 224 HG2 GLU 28 HG2 GLU 28 7.054 -4.571 -0.117 225 HG3 GLU 28 HG3 GLU 28 7.327 -6.195 0.508 226 H GLU 29 H GLU 29 4.972 -8.663 -2.435 227 HA GLU 29 HA GLU 29 4.102 -7.596 -5.051 228 HB2 GLU 29 HB2 GLU 29 5.130 -10.346 -4.326 229 HB3 GLU 29 HB3 GLU 29 4.616 -9.843 -5.936 230 HG2 GLU 29 HG2 GLU 29 6.338 -8.052 -5.894 231 HG3 GLU 29 HG3 GLU 29 6.887 -8.641 -4.328 232 H ALA 30 H ALA 30 2.730 -8.704 -2.244 233 HA ALA 30 HA ALA 30 0.688 -10.399 -3.418 234 HB1 ALA 30 HB1 ALA 30 -0.328 -10.085 -1.052 235 HB2 ALA 30 HB2 ALA 30 1.216 -9.330 -0.655 236 HB3 ALA 30 HB3 ALA 30 1.170 -11.007 -1.202 237 H LYS 31 H LYS 31 -1.367 -9.826 -3.924 238 HA LYS 31 HA LYS 31 -1.921 -6.972 -4.184 239 HB2 LYS 31 HB2 LYS 31 -3.532 -9.390 -5.032 240 HB3 LYS 31 HB3 LYS 31 -3.920 -7.719 -5.430 241 HG2 LYS 31 HG2 LYS 31 -1.235 -8.901 -6.142 242 HG3 LYS 31 HG3 LYS 31 -2.626 -9.139 -7.194 243 HD2 LYS 31 HD2 LYS 31 -2.036 -6.336 -6.268 244 HD3 LYS 31 HD3 LYS 31 -0.977 -7.039 -7.486 245 HE2 LYS 31 HE2 LYS 31 -2.687 -5.951 -8.725 246 HE3 LYS 31 HE3 LYS 31 -3.119 -7.660 -8.765 247 HZ1 LYS 31 HZ1 LYS 31 -4.872 -7.351 -7.383 248 HZ2 LYS 31 HZ2 LYS 31 -4.842 -5.806 -8.090 249 HZ3 LYS 31 HZ3 LYS 31 -4.155 -6.056 -6.555 250 H LEU 32 H LEU 32 -3.200 -5.861 -2.843 251 HA LEU 32 HA LEU 32 -4.009 -6.926 -0.377 252 HB2 LEU 32 HB2 LEU 32 -4.760 -4.403 -1.839 253 HB3 LEU 32 HB3 LEU 32 -5.376 -4.773 -0.229 254 HG LEU 32 HG LEU 32 -2.405 -4.843 -0.852 255 HD11 LEU 32 HD11 LEU 32 -4.159 -2.519 0.007 256 HD12 LEU 32 HD12 LEU 32 -3.048 -2.582 -1.360 257 HD13 LEU 32 HD13 LEU 32 -2.419 -2.548 0.287 258 HD21 LEU 32 HD21 LEU 32 -4.116 -4.723 1.650 259 HD22 LEU 32 HD22 LEU 32 -2.394 -4.347 1.672 260 HD23 LEU 32 HD23 LEU 32 -2.938 -5.955 1.196 261 H ILE 33 H ILE 33 -5.881 -6.528 -3.382 262 HA ILE 33 HA ILE 33 -8.295 -7.378 -2.016 263 HB ILE 33 HB ILE 33 -8.411 -5.634 -3.744 264 HG12 ILE 33 HG12 ILE 33 -9.906 -8.084 -4.709 265 HG13 ILE 33 HG13 ILE 33 -10.325 -7.275 -3.198 266 HG21 ILE 33 HG21 ILE 33 -6.632 -6.618 -5.218 267 HG22 ILE 33 HG22 ILE 33 -8.099 -6.178 -6.093 268 HG23 ILE 33 HG23 ILE 33 -7.779 -7.867 -5.699 269 HD11 ILE 33 HD11 ILE 33 -10.881 -5.246 -4.323 270 HD12 ILE 33 HD12 ILE 33 -11.623 -6.529 -5.279 271 HD13 ILE 33 HD13 ILE 33 -10.120 -5.782 -5.822 272 H ASP 34 H ASP 34 -6.087 -8.818 -4.421 273 HA ASP 34 HA ASP 34 -7.713 -11.227 -4.520 274 HB2 ASP 34 HB2 ASP 34 -5.019 -10.626 -5.746 275 HB3 ASP 34 HB3 ASP 34 -6.004 -12.048 -6.084 276 H ASP 35 H ASP 35 -4.369 -10.490 -3.495 277 HA ASP 35 HA ASP 35 -3.894 -13.072 -2.420 278 HB2 ASP 35 HB2 ASP 35 -2.171 -11.370 -3.191 279 HB3 ASP 35 HB3 ASP 35 -2.416 -10.575 -1.637 280 H LEU 36 H LEU 36 -5.235 -10.119 -0.990 281 HA LEU 36 HA LEU 36 -5.230 -11.492 1.637 282 HB2 LEU 36 HB2 LEU 36 -4.987 -8.629 0.847 283 HB3 LEU 36 HB3 LEU 36 -5.805 -8.990 2.359 284 HG LEU 36 HG LEU 36 -3.748 -10.444 2.916 285 HD11 LEU 36 HD11 LEU 36 -2.794 -8.946 0.466 286 HD12 LEU 36 HD12 LEU 36 -2.658 -10.670 0.822 287 HD13 LEU 36 HD13 LEU 36 -1.664 -9.508 1.699 288 HD21 LEU 36 HD21 LEU 36 -4.119 -8.323 4.037 289 HD22 LEU 36 HD22 LEU 36 -3.535 -7.429 2.634 290 HD23 LEU 36 HD23 LEU 36 -2.417 -8.408 3.584 291 H GLY 37 H GLY 37 -7.321 -10.208 -0.868 292 HA2 GLY 37 HA2 GLY 37 -9.612 -10.746 -1.050 293 HA3 GLY 37 HA3 GLY 37 -9.621 -11.198 0.644 294 H ALA 38 H ALA 38 -8.166 -8.148 -0.127 295 HA ALA 38 HA ALA 38 -10.259 -6.754 1.337 296 HB1 ALA 38 HB1 ALA 38 -7.724 -6.338 1.539 297 HB2 ALA 38 HB2 ALA 38 -8.774 -4.924 1.431 298 HB3 ALA 38 HB3 ALA 38 -7.879 -5.468 0.012 299 H ASP 39 H ASP 39 -12.028 -6.401 0.223 300 HA ASP 39 HA ASP 39 -12.284 -6.100 -2.545 301 HB2 ASP 39 HB2 ASP 39 -14.141 -6.617 -0.904 302 HB3 ASP 39 HB3 ASP 39 -14.163 -4.900 -0.500 303 H SER 40 H SER 40 -12.759 -4.240 -3.825 304 HA SER 40 HA SER 40 -10.957 -2.188 -3.696 305 HB2 SER 40 HB2 SER 40 -12.404 -0.961 -5.259 306 HB3 SER 40 HB3 SER 40 -12.290 -2.666 -5.688 307 HG SER 40 HG SER 40 -14.468 -1.474 -5.493 308 H LEU 41 H LEU 41 -14.217 -2.193 -2.253 309 HA LEU 41 HA LEU 41 -14.227 0.528 -1.451 310 HB2 LEU 41 HB2 LEU 41 -16.263 -0.889 -1.431 311 HB3 LEU 41 HB3 LEU 41 -15.570 -1.863 -0.140 312 HG LEU 41 HG LEU 41 -15.482 0.197 1.296 313 HD11 LEU 41 HD11 LEU 41 -16.978 2.105 0.530 314 HD12 LEU 41 HD12 LEU 41 -16.940 1.388 -1.079 315 HD13 LEU 41 HD13 LEU 41 -15.448 1.963 -0.335 316 HD21 LEU 41 HD21 LEU 41 -18.190 -0.579 0.170 317 HD22 LEU 41 HD22 LEU 41 -17.941 0.281 1.690 318 HD23 LEU 41 HD23 LEU 41 -17.349 -1.369 1.503 319 H ASP 42 H ASP 42 -13.273 -2.443 0.204 320 HA ASP 42 HA ASP 42 -12.392 -1.308 2.620 321 HB2 ASP 42 HB2 ASP 42 -11.559 -3.831 1.183 322 HB3 ASP 42 HB3 ASP 42 -10.985 -3.406 2.794 323 H LEU 43 H LEU 43 -10.707 -1.910 -0.427 324 HA LEU 43 HA LEU 43 -8.101 -1.267 0.353 325 HB2 LEU 43 HB2 LEU 43 -8.700 -2.382 -1.775 326 HB3 LEU 43 HB3 LEU 43 -9.439 -0.890 -2.343 327 HG LEU 43 HG LEU 43 -7.208 0.246 -2.108 328 HD11 LEU 43 HD11 LEU 43 -6.274 -2.589 -1.554 329 HD12 LEU 43 HD12 LEU 43 -6.154 -1.211 -0.461 330 HD13 LEU 43 HD13 LEU 43 -5.200 -1.245 -1.944 331 HD21 LEU 43 HD21 LEU 43 -6.192 -0.894 -4.092 332 HD22 LEU 43 HD22 LEU 43 -7.915 -0.574 -4.287 333 HD23 LEU 43 HD23 LEU 43 -7.360 -2.201 -3.893 334 H VAL 44 H VAL 44 -10.735 0.770 -0.920 335 HA VAL 44 HA VAL 44 -9.265 3.166 -1.109 336 HB VAL 44 HB VAL 44 -12.222 2.659 -0.662 337 HG11 VAL 44 HG11 VAL 44 -10.771 5.247 -1.304 338 HG12 VAL 44 HG12 VAL 44 -11.796 4.923 0.094 339 HG13 VAL 44 HG13 VAL 44 -12.508 5.019 -1.517 340 HG21 VAL 44 HG21 VAL 44 -12.426 2.954 -3.020 341 HG22 VAL 44 HG22 VAL 44 -11.051 1.876 -2.794 342 HG23 VAL 44 HG23 VAL 44 -10.784 3.580 -3.157 343 H ASP 45 H ASP 45 -11.195 1.790 1.539 344 HA ASP 45 HA ASP 45 -10.881 3.920 3.364 345 HB2 ASP 45 HB2 ASP 45 -11.412 0.973 3.767 346 HB3 ASP 45 HB3 ASP 45 -11.388 2.131 5.091 347 H LEU 46 H LEU 46 -8.945 1.008 2.773 348 HA LEU 46 HA LEU 46 -7.168 1.269 4.963 349 HB2 LEU 46 HB2 LEU 46 -6.848 -0.014 2.244 350 HB3 LEU 46 HB3 LEU 46 -5.634 -0.132 3.517 351 HG LEU 46 HG LEU 46 -8.524 -0.911 3.963 352 HD11 LEU 46 HD11 LEU 46 -6.197 -2.547 2.934 353 HD12 LEU 46 HD12 LEU 46 -7.809 -2.394 2.240 354 HD13 LEU 46 HD13 LEU 46 -7.579 -3.290 3.741 355 HD21 LEU 46 HD21 LEU 46 -7.431 -2.273 5.793 356 HD22 LEU 46 HD22 LEU 46 -7.307 -0.529 6.012 357 HD23 LEU 46 HD23 LEU 46 -5.920 -1.443 5.419 358 H VAL 47 H VAL 47 -6.766 2.294 1.544 359 HA VAL 47 HA VAL 47 -4.290 3.537 1.936 360 HB VAL 47 HB VAL 47 -5.092 3.002 -0.305 361 HG11 VAL 47 HG11 VAL 47 -6.810 4.512 -1.355 362 HG12 VAL 47 HG12 VAL 47 -7.136 5.180 0.243 363 HG13 VAL 47 HG13 VAL 47 -7.457 3.478 -0.084 364 HG21 VAL 47 HG21 VAL 47 -4.464 5.103 -1.428 365 HG22 VAL 47 HG22 VAL 47 -3.403 4.782 -0.055 366 HG23 VAL 47 HG23 VAL 47 -4.685 5.985 0.084 367 H MET 48 H MET 48 -7.596 4.782 2.353 368 HA MET 48 HA MET 48 -6.966 7.487 2.763 369 HB2 MET 48 HB2 MET 48 -9.274 6.582 2.485 370 HB3 MET 48 HB3 MET 48 -9.159 5.857 4.087 371 HG2 MET 48 HG2 MET 48 -10.336 7.970 4.288 372 HG3 MET 48 HG3 MET 48 -8.745 8.151 5.027 373 HE1 MET 48 HE1 MET 48 -9.164 11.662 3.609 374 HE2 MET 48 HE2 MET 48 -8.862 10.631 5.005 375 HE3 MET 48 HE3 MET 48 -10.459 10.651 4.264 376 H ASP 49 H ASP 49 -7.175 4.763 5.048 377 HA ASP 49 HA ASP 49 -6.695 6.079 7.437 378 HB2 ASP 49 HB2 ASP 49 -7.106 3.557 7.003 379 HB3 ASP 49 HB3 ASP 49 -5.351 3.444 6.859 380 H PHE 50 H PHE 50 -4.371 5.050 4.975 381 HA PHE 50 HA PHE 50 -2.069 6.036 6.474 382 HB2 PHE 50 HB2 PHE 50 -1.963 5.516 3.515 383 HB3 PHE 50 HB3 PHE 50 -0.702 5.309 4.719 384 HD1 PHE 50 HD1 PHE 50 -2.251 3.440 2.498 385 HD2 PHE 50 HD2 PHE 50 -2.030 3.620 6.784 386 HE1 PHE 50 HE1 PHE 50 -2.832 1.040 2.628 387 HE2 PHE 50 HE2 PHE 50 -2.607 1.221 6.905 388 HZ PHE 50 HZ PHE 50 -3.019 -0.069 4.828 389 H GLU 51 H GLU 51 -4.336 7.258 4.154 390 HA GLU 51 HA GLU 51 -2.913 9.387 3.005 391 HB2 GLU 51 HB2 GLU 51 -5.174 8.485 2.289 392 HB3 GLU 51 HB3 GLU 51 -5.872 9.379 3.638 393 HG2 GLU 51 HG2 GLU 51 -4.895 11.473 2.736 394 HG3 GLU 51 HG3 GLU 51 -4.272 10.558 1.366 395 H SER 52 H SER 52 -4.876 9.203 5.966 396 HA SER 52 HA SER 52 -4.280 11.985 6.637 397 HB2 SER 52 HB2 SER 52 -5.781 11.640 8.519 398 HB3 SER 52 HB3 SER 52 -6.539 11.040 7.047 399 HG SER 52 HG SER 52 -6.508 9.105 7.862 400 H GLU 53 H GLU 53 -3.402 8.734 7.634 401 HA GLU 53 HA GLU 53 -2.122 9.319 10.068 402 HB2 GLU 53 HB2 GLU 53 -2.608 7.012 9.277 403 HB3 GLU 53 HB3 GLU 53 -1.350 7.182 8.058 404 HG2 GLU 53 HG2 GLU 53 -0.448 5.984 9.984 405 HG3 GLU 53 HG3 GLU 53 0.322 7.562 9.862 406 H PHE 54 H PHE 54 -0.735 9.119 6.767 407 HA PHE 54 HA PHE 54 1.793 10.207 7.706 408 HB2 PHE 54 HB2 PHE 54 0.806 9.292 5.006 409 HB3 PHE 54 HB3 PHE 54 2.404 9.993 5.250 410 HD1 PHE 54 HD1 PHE 54 0.250 7.085 5.827 411 HD2 PHE 54 HD2 PHE 54 4.076 8.843 6.674 412 HE1 PHE 54 HE1 PHE 54 1.083 4.888 6.622 413 HE2 PHE 54 HE2 PHE 54 4.910 6.646 7.468 414 HZ PHE 54 HZ PHE 54 3.413 4.669 7.442 415 H GLY 55 H GLY 55 -1.084 11.680 6.978 416 HA2 GLY 55 HA2 GLY 55 -1.660 13.854 6.471 417 HA3 GLY 55 HA3 GLY 55 0.010 14.275 6.848 418 H VAL 56 H VAL 56 -1.092 12.060 4.334 419 HA VAL 56 HA VAL 56 -0.256 13.987 2.257 420 HB VAL 56 HB VAL 56 0.860 12.142 1.023 421 HG11 VAL 56 HG11 VAL 56 2.297 13.555 2.300 422 HG12 VAL 56 HG12 VAL 56 2.803 11.904 2.654 423 HG13 VAL 56 HG13 VAL 56 1.817 12.791 3.814 424 HG21 VAL 56 HG21 VAL 56 0.134 10.598 3.521 425 HG22 VAL 56 HG22 VAL 56 1.453 10.090 2.463 426 HG23 VAL 56 HG23 VAL 56 -0.197 10.168 1.844 427 H LYS 57 H LYS 57 -1.327 13.831 0.298 428 HA LYS 57 HA LYS 57 -3.831 12.284 0.365 429 HB2 LYS 57 HB2 LYS 57 -3.898 14.785 0.036 430 HB3 LYS 57 HB3 LYS 57 -3.116 14.528 -1.524 431 HG2 LYS 57 HG2 LYS 57 -4.950 13.187 -2.319 432 HG3 LYS 57 HG3 LYS 57 -5.684 13.138 -0.718 433 HD2 LYS 57 HD2 LYS 57 -5.225 15.744 -2.182 434 HD3 LYS 57 HD3 LYS 57 -6.693 14.797 -2.410 435 HE2 LYS 57 HE2 LYS 57 -5.685 15.800 0.271 436 HE3 LYS 57 HE3 LYS 57 -6.972 16.550 -0.666 437 HZ1 LYS 57 HZ1 LYS 57 -6.957 13.853 0.565 438 HZ2 LYS 57 HZ2 LYS 57 -8.102 14.327 -0.598 439 HZ3 LYS 57 HZ3 LYS 57 -8.012 15.144 0.887 440 H VAL 58 H VAL 58 -4.465 10.946 -1.385 441 HA VAL 58 HA VAL 58 -2.204 10.084 -3.067 442 HB VAL 58 HB VAL 58 -3.503 8.017 -3.450 443 HG11 VAL 58 HG11 VAL 58 -3.319 8.595 -0.479 444 HG12 VAL 58 HG12 VAL 58 -1.890 8.384 -1.489 445 HG13 VAL 58 HG13 VAL 58 -3.044 7.063 -1.308 446 HG21 VAL 58 HG21 VAL 58 -5.769 9.050 -3.095 447 HG22 VAL 58 HG22 VAL 58 -5.414 9.153 -1.369 448 HG23 VAL 58 HG23 VAL 58 -5.529 7.576 -2.153 449 H ASP 59 H ASP 59 -2.371 9.814 -5.199 450 HA ASP 59 HA ASP 59 -4.347 11.463 -6.575 451 HB2 ASP 59 HB2 ASP 59 -1.946 11.741 -7.078 452 HB3 ASP 59 HB3 ASP 59 -1.884 10.065 -7.603 453 H ASP 60 H ASP 60 -5.657 10.765 -8.218 454 HA ASP 60 HA ASP 60 -6.841 8.222 -8.006 455 HB2 ASP 60 HB2 ASP 60 -6.818 10.207 -10.294 456 HB3 ASP 60 HB3 ASP 60 -7.788 8.739 -10.308 457 H ALA 61 H ALA 61 -4.263 9.450 -10.029 458 HA ALA 61 HA ALA 61 -3.925 7.087 -11.616 459 HB1 ALA 61 HB1 ALA 61 -1.677 9.010 -11.091 460 HB2 ALA 61 HB2 ALA 61 -3.034 9.480 -12.105 461 HB3 ALA 61 HB3 ALA 61 -2.041 8.094 -12.550 462 H ASP 62 H ASP 62 -2.581 8.233 -8.508 463 HA ASP 62 HA ASP 62 -0.600 6.247 -8.182 464 HB2 ASP 62 HB2 ASP 62 -2.227 7.755 -6.127 465 HB3 ASP 62 HB3 ASP 62 -0.937 6.647 -5.706 466 H LEU 63 H LEU 63 -4.042 6.341 -7.345 467 HA LEU 63 HA LEU 63 -4.201 3.888 -5.999 468 HB2 LEU 63 HB2 LEU 63 -6.030 5.548 -6.040 469 HB3 LEU 63 HB3 LEU 63 -6.290 5.226 -7.750 470 HG LEU 63 HG LEU 63 -6.811 2.837 -7.168 471 HD11 LEU 63 HD11 LEU 63 -5.665 2.570 -5.064 472 HD12 LEU 63 HD12 LEU 63 -7.391 2.413 -4.736 473 HD13 LEU 63 HD13 LEU 63 -6.552 3.915 -4.348 474 HD21 LEU 63 HD21 LEU 63 -8.459 5.018 -5.857 475 HD22 LEU 63 HD22 LEU 63 -9.030 3.368 -6.102 476 HD23 LEU 63 HD23 LEU 63 -8.646 4.383 -7.492 477 H GLU 64 H GLU 64 -4.602 4.613 -9.493 478 HA GLU 64 HA GLU 64 -5.192 2.005 -10.316 479 HB2 GLU 64 HB2 GLU 64 -5.537 4.101 -11.637 480 HB3 GLU 64 HB3 GLU 64 -3.799 4.156 -11.917 481 HG2 GLU 64 HG2 GLU 64 -3.900 1.933 -12.993 482 HG3 GLU 64 HG3 GLU 64 -5.638 1.877 -12.715 483 H LYS 65 H LYS 65 -2.061 3.626 -9.889 484 HA LYS 65 HA LYS 65 -0.654 1.309 -10.996 485 HB2 LYS 65 HB2 LYS 65 1.408 2.598 -10.649 486 HB3 LYS 65 HB3 LYS 65 0.215 3.501 -11.578 487 HG2 LYS 65 HG2 LYS 65 -0.475 4.634 -9.439 488 HG3 LYS 65 HG3 LYS 65 0.878 3.842 -8.643 489 HD2 LYS 65 HD2 LYS 65 1.939 5.807 -9.230 490 HD3 LYS 65 HD3 LYS 65 2.243 4.905 -10.706 491 HE2 LYS 65 HE2 LYS 65 1.326 6.723 -11.736 492 HE3 LYS 65 HE3 LYS 65 -0.221 6.030 -11.255 493 HZ1 LYS 65 HZ1 LYS 65 -0.514 7.961 -10.158 494 HZ2 LYS 65 HZ2 LYS 65 1.133 8.371 -10.259 495 HZ3 LYS 65 HZ3 LYS 65 0.594 7.349 -9.033 496 H ILE 66 H ILE 66 -1.903 2.071 -8.011 497 HA ILE 66 HA ILE 66 0.118 0.460 -6.557 498 HB ILE 66 HB ILE 66 -1.941 2.439 -5.512 499 HG12 ILE 66 HG12 ILE 66 1.079 2.592 -5.331 500 HG13 ILE 66 HG13 ILE 66 0.197 3.273 -6.694 501 HG21 ILE 66 HG21 ILE 66 0.215 1.056 -3.895 502 HG22 ILE 66 HG22 ILE 66 -1.429 0.429 -3.991 503 HG23 ILE 66 HG23 ILE 66 -1.132 2.025 -3.308 504 HD11 ILE 66 HD11 ILE 66 -1.209 4.532 -4.952 505 HD12 ILE 66 HD12 ILE 66 0.459 5.069 -5.147 506 HD13 ILE 66 HD13 ILE 66 0.016 4.054 -3.776 507 H SER 67 H SER 67 -0.441 -1.641 -6.433 508 HA SER 67 HA SER 67 -3.276 -2.307 -5.882 509 HB2 SER 67 HB2 SER 67 -3.021 -4.307 -7.284 510 HB3 SER 67 HB3 SER 67 -2.731 -2.839 -8.215 511 HG SER 67 HG SER 67 -1.055 -4.177 -8.678 512 H THR 68 H THR 68 0.114 -3.385 -5.591 513 HA THR 68 HA THR 68 -0.662 -5.314 -3.527 514 HB THR 68 HB THR 68 1.690 -6.096 -3.694 515 HG1 THR 68 HG1 THR 68 2.928 -4.496 -4.303 516 HG21 THR 68 HG21 THR 68 1.556 -6.976 -5.984 517 HG22 THR 68 HG22 THR 68 0.337 -5.768 -6.392 518 HG23 THR 68 HG23 THR 68 -0.032 -7.028 -5.214 519 H VAL 69 H VAL 69 0.785 -5.440 -1.592 520 HA VAL 69 HA VAL 69 0.720 -3.004 -0.153 521 HB VAL 69 HB VAL 69 2.330 -5.495 0.476 522 HG11 VAL 69 HG11 VAL 69 2.448 -4.702 2.731 523 HG12 VAL 69 HG12 VAL 69 1.337 -3.379 2.392 524 HG13 VAL 69 HG13 VAL 69 2.962 -3.363 1.710 525 HG21 VAL 69 HG21 VAL 69 -0.350 -4.713 1.623 526 HG22 VAL 69 HG22 VAL 69 0.452 -6.281 1.697 527 HG23 VAL 69 HG23 VAL 69 -0.222 -5.708 0.174 528 H GLY 70 H GLY 70 3.181 -4.482 -2.177 529 HA2 GLY 70 HA2 GLY 70 5.459 -3.074 -1.276 530 HA3 GLY 70 HA3 GLY 70 5.238 -3.705 -2.907 531 H ASP 71 H ASP 71 2.990 -2.284 -3.676 532 HA ASP 71 HA ASP 71 4.091 0.180 -4.528 533 HB2 ASP 71 HB2 ASP 71 1.280 -0.920 -4.583 534 HB3 ASP 71 HB3 ASP 71 1.726 0.626 -5.291 535 H ILE 72 H ILE 72 1.835 -0.716 -1.938 536 HA ILE 72 HA ILE 72 1.070 1.905 -1.137 537 HB ILE 72 HB ILE 72 1.348 -0.639 0.506 538 HG12 ILE 72 HG12 ILE 72 -0.181 -0.894 -1.438 539 HG13 ILE 72 HG13 ILE 72 -1.029 -1.004 0.094 540 HG21 ILE 72 HG21 ILE 72 1.185 1.176 2.049 541 HG22 ILE 72 HG22 ILE 72 -0.432 0.479 1.951 542 HG23 ILE 72 HG23 ILE 72 -0.064 1.973 1.093 543 HD11 ILE 72 HD11 ILE 72 -2.156 1.003 -0.228 544 HD12 ILE 72 HD12 ILE 72 -2.009 0.454 -1.894 545 HD13 ILE 72 HD13 ILE 72 -0.903 1.670 -1.268 546 H VAL 73 H VAL 73 3.557 -0.321 0.091 547 HA VAL 73 HA VAL 73 4.681 1.383 2.013 548 HB VAL 73 HB VAL 73 5.853 -0.944 0.466 549 HG11 VAL 73 HG11 VAL 73 7.751 0.293 1.301 550 HG12 VAL 73 HG12 VAL 73 7.495 -1.061 2.402 551 HG13 VAL 73 HG13 VAL 73 6.966 0.557 2.859 552 HG21 VAL 73 HG21 VAL 73 5.272 -2.241 2.399 553 HG22 VAL 73 HG22 VAL 73 3.849 -1.282 1.990 554 HG23 VAL 73 HG23 VAL 73 4.885 -0.796 3.332 555 H SER 74 H SER 74 5.747 0.725 -1.325 556 HA SER 74 HA SER 74 7.934 2.486 -1.357 557 HB2 SER 74 HB2 SER 74 6.177 1.487 -3.603 558 HB3 SER 74 HB3 SER 74 7.676 2.378 -3.845 559 HG SER 74 HG SER 74 8.705 0.715 -2.589 560 H TYR 75 H TYR 75 4.530 2.994 -2.084 561 HA TYR 75 HA TYR 75 4.699 5.527 -3.256 562 HB2 TYR 75 HB2 TYR 75 2.681 4.144 -3.364 563 HB3 TYR 75 HB3 TYR 75 2.455 4.317 -1.625 564 HD1 TYR 75 HD1 TYR 75 2.763 6.311 -4.777 565 HD2 TYR 75 HD2 TYR 75 1.236 6.151 -0.767 566 HE1 TYR 75 HE1 TYR 75 1.560 8.445 -5.149 567 HE2 TYR 75 HE2 TYR 75 0.028 8.280 -1.141 568 HH TYR 75 HH TYR 75 -0.064 10.127 -2.531 569 H ILE 76 H ILE 76 4.173 4.638 0.154 570 HA ILE 76 HA ILE 76 3.951 7.298 1.081 571 HB ILE 76 HB ILE 76 4.777 4.840 2.650 572 HG12 ILE 76 HG12 ILE 76 2.045 6.091 2.213 573 HG13 ILE 76 HG13 ILE 76 2.607 4.674 1.370 574 HG21 ILE 76 HG21 ILE 76 3.811 6.176 4.553 575 HG22 ILE 76 HG22 ILE 76 3.620 7.541 3.457 576 HG23 ILE 76 HG23 ILE 76 5.232 6.947 3.848 577 HD11 ILE 76 HD11 ILE 76 1.141 4.313 3.485 578 HD12 ILE 76 HD12 ILE 76 2.604 4.719 4.380 579 HD13 ILE 76 HD13 ILE 76 2.592 3.329 3.296 580 H GLU 77 H GLU 77 6.705 5.114 0.824 581 HA GLU 77 HA GLU 77 8.602 6.674 2.194 582 HB2 GLU 77 HB2 GLU 77 8.878 4.656 -0.024 583 HB3 GLU 77 HB3 GLU 77 10.266 5.384 0.780 584 HG2 GLU 77 HG2 GLU 77 9.406 4.553 2.953 585 HG3 GLU 77 HG3 GLU 77 8.059 3.791 2.107 586 H LYS 78 H LYS 78 7.608 6.721 -1.223 587 HA LYS 78 HA LYS 78 9.616 8.712 -1.906 588 HB2 LYS 78 HB2 LYS 78 8.910 6.837 -3.438 589 HB3 LYS 78 HB3 LYS 78 7.366 7.667 -3.627 590 HG2 LYS 78 HG2 LYS 78 8.553 9.680 -4.445 591 HG3 LYS 78 HG3 LYS 78 10.091 8.833 -4.282 592 HD2 LYS 78 HD2 LYS 78 7.827 7.781 -5.995 593 HD3 LYS 78 HD3 LYS 78 9.074 8.853 -6.627 594 HE2 LYS 78 HE2 LYS 78 9.603 6.178 -5.293 595 HE3 LYS 78 HE3 LYS 78 9.608 6.457 -7.034 596 HZ1 LYS 78 HZ1 LYS 78 11.308 8.261 -6.508 597 HZ2 LYS 78 HZ2 LYS 78 11.825 6.645 -6.414 598 HZ3 LYS 78 HZ3 LYS 78 11.469 7.509 -4.996 599 H LYS 79 H LYS 79 6.118 8.565 -1.442 600 HA LYS 79 HA LYS 79 5.412 11.075 -2.461 601 HB2 LYS 79 HB2 LYS 79 3.844 9.216 -1.781 602 HB3 LYS 79 HB3 LYS 79 4.104 9.699 -0.107 603 HG2 LYS 79 HG2 LYS 79 2.120 10.832 -0.777 604 HG3 LYS 79 HG3 LYS 79 3.388 12.055 -0.850 605 HD2 LYS 79 HD2 LYS 79 3.594 11.800 -3.247 606 HD3 LYS 79 HD3 LYS 79 2.507 10.413 -3.240 607 HE2 LYS 79 HE2 LYS 79 0.693 11.907 -2.372 608 HE3 LYS 79 HE3 LYS 79 1.789 13.276 -2.557 609 HZ1 LYS 79 HZ1 LYS 79 0.782 11.482 -4.700 610 HZ2 LYS 79 HZ2 LYS 79 2.015 12.632 -4.929 611 HZ3 LYS 79 HZ3 LYS 79 0.449 13.137 -4.502 612 H LEU 80 H LEU 80 6.413 10.120 0.823 613 HA LEU 80 HA LEU 80 6.064 12.689 1.991 614 HB2 LEU 80 HB2 LEU 80 7.703 10.284 2.806 615 HB3 LEU 80 HB3 LEU 80 7.579 11.743 3.787 616 HG LEU 80 HG LEU 80 5.144 10.207 2.834 617 HD11 LEU 80 HD11 LEU 80 5.093 9.086 4.963 618 HD12 LEU 80 HD12 LEU 80 6.455 10.034 5.559 619 HD13 LEU 80 HD13 LEU 80 6.703 8.833 4.293 620 HD21 LEU 80 HD21 LEU 80 4.634 12.473 3.512 621 HD22 LEU 80 HD22 LEU 80 5.651 12.328 4.945 622 HD23 LEU 80 HD23 LEU 80 4.147 11.414 4.836 623 H GLY 81 H GLY 81 8.677 11.208 0.186 624 HA2 GLY 81 HA2 GLY 81 10.029 13.181 -0.856 625 HA3 GLY 81 HA3 GLY 81 10.498 13.429 0.823 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 10.729 7.725 13.228 2 H2 MET 1 HT2 MET 1 10.700 6.374 12.197 3 H3 MET 1 HT3 MET 1 9.313 6.804 13.077 4 HA MET 1 HA MET 1 8.765 7.667 11.054 5 HB2 MET 1 HB2 MET 1 8.900 9.450 12.853 6 HB3 MET 1 HB3 MET 1 10.467 9.903 12.182 7 HG2 MET 1 HG2 MET 1 9.435 10.369 10.011 8 HG3 MET 1 HG3 MET 1 7.866 9.845 10.623 9 HE1 MET 1 HE1 MET 1 7.866 13.714 10.011 10 HE2 MET 1 HE2 MET 1 6.647 12.444 10.088 11 HE3 MET 1 HE3 MET 1 8.127 12.180 9.171 12 H ALA 2 H ALA 2 9.352 8.368 8.956 13 HA ALA 2 HA ALA 2 10.625 8.304 7.052 14 HB1 ALA 2 HB1 ALA 2 12.457 9.592 9.059 15 HB2 ALA 2 HB2 ALA 2 11.623 10.322 7.688 16 HB3 ALA 2 HB3 ALA 2 13.015 9.275 7.417 17 H SER 3 H SER 3 10.334 5.862 7.684 18 HA SER 3 HA SER 3 12.800 4.574 7.002 19 HB2 SER 3 HB2 SER 3 12.940 3.074 8.912 20 HB3 SER 3 HB3 SER 3 13.035 4.739 9.478 21 HG SER 3 HG SER 3 11.400 4.210 10.680 22 H ARG 4 H ARG 4 12.411 2.517 6.053 23 HA ARG 4 HA ARG 4 9.867 2.065 4.991 24 HB2 ARG 4 HB2 ARG 4 11.989 1.160 4.046 25 HB3 ARG 4 HB3 ARG 4 12.079 0.030 5.396 26 HG2 ARG 4 HG2 ARG 4 9.978 -1.007 4.729 27 HG3 ARG 4 HG3 ARG 4 9.756 0.186 3.451 28 HD2 ARG 4 HD2 ARG 4 11.799 -0.616 2.337 29 HD3 ARG 4 HD3 ARG 4 12.044 -1.796 3.623 30 HE ARG 4 HE ARG 4 10.356 -3.106 2.695 31 HH11 ARG 4 HH11 ARG 4 10.340 0.063 1.192 32 HH12 ARG 4 HH12 ARG 4 9.201 -0.398 -0.030 33 HH21 ARG 4 HH21 ARG 4 8.843 -3.642 1.119 34 HH22 ARG 4 HH22 ARG 4 8.363 -2.479 -0.069 35 H GLU 5 H GLU 5 11.455 0.734 7.853 36 HA GLU 5 HA GLU 5 9.626 -1.253 8.553 37 HB2 GLU 5 HB2 GLU 5 10.399 -0.898 10.896 38 HB3 GLU 5 HB3 GLU 5 11.732 -1.026 9.752 39 HG2 GLU 5 HG2 GLU 5 11.745 1.517 9.660 40 HG3 GLU 5 HG3 GLU 5 10.622 1.501 11.013 41 H GLU 6 H GLU 6 9.610 2.206 9.284 42 HA GLU 6 HA GLU 6 7.326 2.175 10.902 43 HB2 GLU 6 HB2 GLU 6 8.682 4.338 9.303 44 HB3 GLU 6 HB3 GLU 6 7.204 4.661 10.210 45 HG2 GLU 6 HG2 GLU 6 9.662 3.402 11.453 46 HG3 GLU 6 HG3 GLU 6 9.356 5.139 11.470 47 H ILE 7 H ILE 7 7.718 2.522 7.398 48 HA ILE 7 HA ILE 7 4.995 3.194 6.870 49 HB ILE 7 HB ILE 7 6.909 1.757 5.007 50 HG12 ILE 7 HG12 ILE 7 8.026 3.803 5.760 51 HG13 ILE 7 HG13 ILE 7 7.461 4.024 4.110 52 HG21 ILE 7 HG21 ILE 7 4.467 3.479 4.513 53 HG22 ILE 7 HG22 ILE 7 4.604 1.743 4.233 54 HG23 ILE 7 HG23 ILE 7 5.538 2.871 3.251 55 HD11 ILE 7 HD11 ILE 7 6.558 5.367 6.610 56 HD12 ILE 7 HD12 ILE 7 5.328 5.029 5.394 57 HD13 ILE 7 HD13 ILE 7 6.733 6.009 4.976 58 H PHE 8 H PHE 8 6.729 0.125 6.286 59 HA PHE 8 HA PHE 8 4.540 -1.459 5.767 60 HB2 PHE 8 HB2 PHE 8 6.875 -2.128 5.376 61 HB3 PHE 8 HB3 PHE 8 7.131 -2.269 7.112 62 HD1 PHE 8 HD1 PHE 8 5.171 -3.637 4.250 63 HD2 PHE 8 HD2 PHE 8 6.482 -4.238 8.296 64 HE1 PHE 8 HE1 PHE 8 4.320 -5.966 4.179 65 HE2 PHE 8 HE2 PHE 8 5.630 -6.566 8.225 66 HZ PHE 8 HZ PHE 8 4.549 -7.430 6.168 67 H SER 9 H SER 9 6.054 -0.898 8.982 68 HA SER 9 HA SER 9 4.480 -2.706 10.426 69 HB2 SER 9 HB2 SER 9 6.486 -1.675 11.357 70 HB3 SER 9 HB3 SER 9 5.706 -0.096 11.336 71 HG SER 9 HG SER 9 4.728 -2.375 12.723 72 H LYS 10 H LYS 10 3.938 0.787 9.879 73 HA LYS 10 HA LYS 10 1.476 0.839 11.330 74 HB2 LYS 10 HB2 LYS 10 2.994 2.732 9.591 75 HB3 LYS 10 HB3 LYS 10 1.272 3.038 9.794 76 HG2 LYS 10 HG2 LYS 10 2.397 4.266 11.530 77 HG3 LYS 10 HG3 LYS 10 1.643 2.876 12.305 78 HD2 LYS 10 HD2 LYS 10 3.800 1.665 12.230 79 HD3 LYS 10 HD3 LYS 10 4.552 3.062 11.464 80 HE2 LYS 10 HE2 LYS 10 4.019 4.445 13.430 81 HE3 LYS 10 HE3 LYS 10 3.255 3.055 14.202 82 HZ1 LYS 10 HZ1 LYS 10 6.021 2.806 13.246 83 HZ2 LYS 10 HZ2 LYS 10 5.250 2.024 14.541 84 HZ3 LYS 10 HZ3 LYS 10 5.731 3.645 14.690 85 H VAL 11 H VAL 11 2.292 0.443 7.920 86 HA VAL 11 HA VAL 11 -0.318 0.629 6.872 87 HB VAL 11 HB VAL 11 2.153 -0.823 5.881 88 HG11 VAL 11 HG11 VAL 11 0.935 -0.831 3.646 89 HG12 VAL 11 HG12 VAL 11 -0.541 -0.456 4.533 90 HG13 VAL 11 HG13 VAL 11 0.306 -1.972 4.835 91 HG21 VAL 11 HG21 VAL 11 2.508 1.078 4.533 92 HG22 VAL 11 HG22 VAL 11 1.945 1.779 6.048 93 HG23 VAL 11 HG23 VAL 11 0.839 1.622 4.686 94 H LYS 12 H LYS 12 1.576 -2.124 8.061 95 HA LYS 12 HA LYS 12 -0.367 -4.123 7.591 96 HB2 LYS 12 HB2 LYS 12 2.031 -4.595 8.167 97 HB3 LYS 12 HB3 LYS 12 1.676 -4.092 9.822 98 HG2 LYS 12 HG2 LYS 12 -0.352 -5.922 9.365 99 HG3 LYS 12 HG3 LYS 12 0.954 -6.602 8.401 100 HD2 LYS 12 HD2 LYS 12 2.393 -6.777 10.309 101 HD3 LYS 12 HD3 LYS 12 1.326 -5.776 11.285 102 HE2 LYS 12 HE2 LYS 12 -0.101 -7.497 11.748 103 HE3 LYS 12 HE3 LYS 12 0.054 -8.223 10.146 104 HZ1 LYS 12 HZ1 LYS 12 1.048 -9.523 12.027 105 HZ2 LYS 12 HZ2 LYS 12 2.215 -8.295 12.186 106 HZ3 LYS 12 HZ3 LYS 12 2.113 -9.190 10.747 107 H SER 13 H SER 13 0.175 -1.899 10.304 108 HA SER 13 HA SER 13 -1.520 -3.087 12.174 109 HB2 SER 13 HB2 SER 13 -0.866 -0.170 11.741 110 HB3 SER 13 HB3 SER 13 -1.705 -0.796 13.155 111 HG SER 13 HG SER 13 0.150 -1.409 13.902 112 H ILE 14 H ILE 14 -2.338 -0.792 9.548 113 HA ILE 14 HA ILE 14 -5.068 -0.538 10.395 114 HB ILE 14 HB ILE 14 -3.880 0.009 7.662 115 HG12 ILE 14 HG12 ILE 14 -2.661 1.325 9.330 116 HG13 ILE 14 HG13 ILE 14 -3.725 2.388 8.416 117 HG21 ILE 14 HG21 ILE 14 -6.336 1.229 8.939 118 HG22 ILE 14 HG22 ILE 14 -6.397 -0.152 7.848 119 HG23 ILE 14 HG23 ILE 14 -5.797 1.401 7.270 120 HD11 ILE 14 HD11 ILE 14 -5.399 1.862 10.437 121 HD12 ILE 14 HD12 ILE 14 -4.173 3.120 10.576 122 HD13 ILE 14 HD13 ILE 14 -3.892 1.536 11.290 123 H ILE 15 H ILE 15 -3.488 -2.330 7.730 124 HA ILE 15 HA ILE 15 -5.803 -3.556 6.727 125 HB ILE 15 HB ILE 15 -2.886 -4.383 6.599 126 HG12 ILE 15 HG12 ILE 15 -4.618 -3.071 4.485 127 HG13 ILE 15 HG13 ILE 15 -3.674 -2.133 5.639 128 HG21 ILE 15 HG21 ILE 15 -4.423 -6.305 6.097 129 HG22 ILE 15 HG22 ILE 15 -3.506 -5.786 4.683 130 HG23 ILE 15 HG23 ILE 15 -5.197 -5.319 4.854 131 HD11 ILE 15 HD11 ILE 15 -1.607 -3.192 4.856 132 HD12 ILE 15 HD12 ILE 15 -2.461 -2.477 3.489 133 HD13 ILE 15 HD13 ILE 15 -2.526 -4.220 3.755 134 H SER 16 H SER 16 -3.375 -4.863 8.971 135 HA SER 16 HA SER 16 -4.550 -7.390 9.336 136 HB2 SER 16 HB2 SER 16 -2.217 -6.995 9.862 137 HB3 SER 16 HB3 SER 16 -2.660 -5.826 11.101 138 HG SER 16 HG SER 16 -3.623 -8.488 11.155 139 H GLU 17 H GLU 17 -4.876 -4.406 11.145 140 HA GLU 17 HA GLU 17 -6.323 -5.449 13.346 141 HB2 GLU 17 HB2 GLU 17 -5.161 -3.308 13.458 142 HB3 GLU 17 HB3 GLU 17 -6.206 -2.642 12.212 143 HG2 GLU 17 HG2 GLU 17 -8.164 -2.946 13.702 144 HG3 GLU 17 HG3 GLU 17 -7.109 -3.599 14.949 145 H LYS 18 H LYS 18 -7.361 -3.986 10.283 146 HA LYS 18 HA LYS 18 -10.144 -4.217 11.056 147 HB2 LYS 18 HB2 LYS 18 -8.812 -3.141 8.572 148 HB3 LYS 18 HB3 LYS 18 -10.559 -3.156 8.821 149 HG2 LYS 18 HG2 LYS 18 -10.289 -1.832 10.882 150 HG3 LYS 18 HG3 LYS 18 -8.541 -1.825 10.656 151 HD2 LYS 18 HD2 LYS 18 -8.807 -0.616 8.532 152 HD3 LYS 18 HD3 LYS 18 -10.560 -0.645 8.725 153 HE2 LYS 18 HE2 LYS 18 -9.684 1.518 9.473 154 HE3 LYS 18 HE3 LYS 18 -10.324 0.626 10.850 155 HZ1 LYS 18 HZ1 LYS 18 -8.263 0.269 11.705 156 HZ2 LYS 18 HZ2 LYS 18 -7.953 1.735 10.902 157 HZ3 LYS 18 HZ3 LYS 18 -7.500 0.260 10.189 158 H LEU 19 H LEU 19 -7.903 -6.185 9.345 159 HA LEU 19 HA LEU 19 -10.125 -7.690 8.091 160 HB2 LEU 19 HB2 LEU 19 -7.171 -7.759 7.431 161 HB3 LEU 19 HB3 LEU 19 -8.426 -8.692 6.622 162 HG LEU 19 HG LEU 19 -8.337 -5.658 6.728 163 HD11 LEU 19 HD11 LEU 19 -7.795 -7.425 4.332 164 HD12 LEU 19 HD12 LEU 19 -6.505 -6.864 5.390 165 HD13 LEU 19 HD13 LEU 19 -7.485 -5.698 4.505 166 HD21 LEU 19 HD21 LEU 19 -10.020 -5.932 4.832 167 HD22 LEU 19 HD22 LEU 19 -10.615 -6.415 6.420 168 HD23 LEU 19 HD23 LEU 19 -10.110 -7.640 5.258 169 H GLY 20 H GLY 20 -7.697 -7.850 10.547 170 HA2 GLY 20 HA2 GLY 20 -7.251 -9.482 12.127 171 HA3 GLY 20 HA3 GLY 20 -8.623 -10.394 11.493 172 H VAL 21 H VAL 21 -5.729 -9.215 9.829 173 HA VAL 21 HA VAL 21 -4.967 -12.030 9.225 174 HB VAL 21 HB VAL 21 -4.770 -9.690 7.309 175 HG11 VAL 21 HG11 VAL 21 -4.365 -11.612 5.673 176 HG12 VAL 21 HG12 VAL 21 -4.153 -12.644 7.085 177 HG13 VAL 21 HG13 VAL 21 -3.065 -11.284 6.817 178 HG21 VAL 21 HG21 VAL 21 -6.762 -11.977 7.490 179 HG22 VAL 21 HG22 VAL 21 -6.547 -10.999 6.037 180 HG23 VAL 21 HG23 VAL 21 -7.113 -10.248 7.530 181 H ASP 22 H ASP 22 -2.799 -12.524 9.260 182 HA ASP 22 HA ASP 22 -1.053 -10.535 10.470 183 HB2 ASP 22 HB2 ASP 22 -1.042 -13.494 10.195 184 HB3 ASP 22 HB3 ASP 22 0.528 -12.696 10.294 185 H GLU 23 H GLU 23 0.862 -9.903 9.693 186 HA GLU 23 HA GLU 23 1.105 -9.032 7.152 187 HB2 GLU 23 HB2 GLU 23 3.441 -8.611 7.549 188 HB3 GLU 23 HB3 GLU 23 2.551 -8.352 9.042 189 HG2 GLU 23 HG2 GLU 23 3.134 -10.801 9.598 190 HG3 GLU 23 HG3 GLU 23 4.312 -10.668 8.292 191 H SER 24 H SER 24 1.567 -12.381 8.017 192 HA SER 24 HA SER 24 3.397 -13.208 6.066 193 HB2 SER 24 HB2 SER 24 0.960 -14.635 7.164 194 HB3 SER 24 HB3 SER 24 2.204 -15.407 6.183 195 HG SER 24 HG SER 24 2.217 -14.739 8.820 196 H GLN 25 H GLN 25 -0.079 -12.582 5.901 197 HA GLN 25 HA GLN 25 -0.404 -13.327 3.135 198 HB2 GLN 25 HB2 GLN 25 -2.055 -11.681 5.051 199 HB3 GLN 25 HB3 GLN 25 -2.523 -11.943 3.373 200 HG2 GLN 25 HG2 GLN 25 -1.904 -14.208 5.271 201 HG3 GLN 25 HG3 GLN 25 -3.532 -13.570 5.039 202 HE21 GLN 25 HE21 GLN 25 -3.839 -13.201 2.369 203 HE22 GLN 25 HE22 GLN 25 -3.523 -14.634 1.504 204 H VAL 26 H VAL 26 0.710 -10.533 4.852 205 HA VAL 26 HA VAL 26 0.361 -8.657 2.695 206 HB VAL 26 HB VAL 26 1.861 -8.426 5.316 207 HG11 VAL 26 HG11 VAL 26 2.551 -6.825 3.449 208 HG12 VAL 26 HG12 VAL 26 1.984 -6.076 4.940 209 HG13 VAL 26 HG13 VAL 26 0.917 -6.169 3.541 210 HG21 VAL 26 HG21 VAL 26 -0.874 -7.386 4.507 211 HG22 VAL 26 HG22 VAL 26 -0.103 -7.176 6.081 212 HG23 VAL 26 HG23 VAL 26 -0.593 -8.783 5.547 213 H THR 27 H THR 27 1.728 -8.382 1.037 214 HA THR 27 HA THR 27 4.594 -8.903 1.417 215 HB THR 27 HB THR 27 3.267 -10.060 -1.027 216 HG1 THR 27 HG1 THR 27 2.764 -11.795 0.018 217 HG21 THR 27 HG21 THR 27 5.315 -11.406 -1.095 218 HG22 THR 27 HG22 THR 27 5.854 -10.680 0.419 219 HG23 THR 27 HG23 THR 27 5.715 -9.691 -1.031 220 H GLU 28 H GLU 28 5.905 -7.872 -0.110 221 HA GLU 28 HA GLU 28 4.997 -5.381 -1.059 222 HB2 GLU 28 HB2 GLU 28 7.401 -7.058 -1.826 223 HB3 GLU 28 HB3 GLU 28 7.146 -5.400 -2.373 224 HG2 GLU 28 HG2 GLU 28 7.149 -4.590 -0.079 225 HG3 GLU 28 HG3 GLU 28 7.240 -6.235 0.539 226 H GLU 29 H GLU 29 4.978 -8.596 -2.441 227 HA GLU 29 HA GLU 29 4.116 -7.529 -5.057 228 HB2 GLU 29 HB2 GLU 29 4.660 -9.758 -5.956 229 HB3 GLU 29 HB3 GLU 29 6.051 -9.004 -5.183 230 HG2 GLU 29 HG2 GLU 29 5.597 -10.322 -3.124 231 HG3 GLU 29 HG3 GLU 29 4.246 -11.105 -3.941 232 H ALA 30 H ALA 30 2.733 -8.681 -2.256 233 HA ALA 30 HA ALA 30 0.703 -10.371 -3.436 234 HB1 ALA 30 HB1 ALA 30 1.221 -9.271 -0.691 235 HB2 ALA 30 HB2 ALA 30 1.106 -10.952 -1.213 236 HB3 ALA 30 HB3 ALA 30 -0.352 -9.968 -1.083 237 H LYS 31 H LYS 31 -1.331 -9.815 -4.008 238 HA LYS 31 HA LYS 31 -1.894 -6.969 -4.321 239 HB2 LYS 31 HB2 LYS 31 -3.480 -9.404 -5.168 240 HB3 LYS 31 HB3 LYS 31 -3.855 -7.742 -5.606 241 HG2 LYS 31 HG2 LYS 31 -1.146 -8.919 -6.228 242 HG3 LYS 31 HG3 LYS 31 -2.510 -9.214 -7.299 243 HD2 LYS 31 HD2 LYS 31 -2.005 -6.369 -6.465 244 HD3 LYS 31 HD3 LYS 31 -0.881 -7.092 -7.610 245 HE2 LYS 31 HE2 LYS 31 -2.598 -6.052 -8.919 246 HE3 LYS 31 HE3 LYS 31 -2.902 -7.786 -8.992 247 HZ1 LYS 31 HZ1 LYS 31 -4.732 -7.621 -7.678 248 HZ2 LYS 31 HZ2 LYS 31 -4.796 -6.088 -8.410 249 HZ3 LYS 31 HZ3 LYS 31 -4.165 -6.257 -6.842 250 H LEU 32 H LEU 32 -3.219 -5.845 -3.037 251 HA LEU 32 HA LEU 32 -4.078 -6.860 -0.561 252 HB2 LEU 32 HB2 LEU 32 -4.835 -4.393 -2.119 253 HB3 LEU 32 HB3 LEU 32 -5.479 -4.724 -0.511 254 HG LEU 32 HG LEU 32 -2.492 -4.769 -1.062 255 HD11 LEU 32 HD11 LEU 32 -3.190 -2.537 -1.682 256 HD12 LEU 32 HD12 LEU 32 -2.540 -2.437 -0.047 257 HD13 LEU 32 HD13 LEU 32 -4.283 -2.435 -0.303 258 HD21 LEU 32 HD21 LEU 32 -2.535 -4.181 1.431 259 HD22 LEU 32 HD22 LEU 32 -3.089 -5.801 1.015 260 HD23 LEU 32 HD23 LEU 32 -4.262 -4.541 1.391 261 H ILE 33 H ILE 33 -5.838 -6.572 -3.636 262 HA ILE 33 HA ILE 33 -8.327 -7.359 -2.393 263 HB ILE 33 HB ILE 33 -8.291 -5.753 -4.257 264 HG12 ILE 33 HG12 ILE 33 -9.721 -8.265 -5.152 265 HG13 ILE 33 HG13 ILE 33 -10.251 -7.344 -3.746 266 HG21 ILE 33 HG21 ILE 33 -7.535 -8.126 -5.989 267 HG22 ILE 33 HG22 ILE 33 -6.402 -6.867 -5.495 268 HG23 ILE 33 HG23 ILE 33 -7.780 -6.460 -6.517 269 HD11 ILE 33 HD11 ILE 33 -10.535 -5.340 -5.123 270 HD12 ILE 33 HD12 ILE 33 -11.455 -6.674 -5.822 271 HD13 ILE 33 HD13 ILE 33 -9.914 -6.197 -6.535 272 H ASP 34 H ASP 34 -5.994 -8.955 -4.578 273 HA ASP 34 HA ASP 34 -7.591 -11.385 -4.563 274 HB2 ASP 34 HB2 ASP 34 -4.867 -10.824 -5.735 275 HB3 ASP 34 HB3 ASP 34 -5.820 -12.280 -6.012 276 H ASP 35 H ASP 35 -4.277 -10.561 -3.522 277 HA ASP 35 HA ASP 35 -3.769 -13.040 -2.271 278 HB2 ASP 35 HB2 ASP 35 -2.093 -11.281 -3.054 279 HB3 ASP 35 HB3 ASP 35 -2.420 -10.464 -1.527 280 H LEU 36 H LEU 36 -5.276 -10.083 -1.037 281 HA LEU 36 HA LEU 36 -5.351 -11.341 1.643 282 HB2 LEU 36 HB2 LEU 36 -5.081 -8.523 0.738 283 HB3 LEU 36 HB3 LEU 36 -5.952 -8.812 2.235 284 HG LEU 36 HG LEU 36 -3.242 -10.070 1.743 285 HD11 LEU 36 HD11 LEU 36 -3.869 -7.260 2.668 286 HD12 LEU 36 HD12 LEU 36 -2.700 -7.785 1.456 287 HD13 LEU 36 HD13 LEU 36 -2.388 -8.082 3.163 288 HD21 LEU 36 HD21 LEU 36 -4.881 -9.327 4.184 289 HD22 LEU 36 HD22 LEU 36 -3.217 -9.901 4.270 290 HD23 LEU 36 HD23 LEU 36 -4.481 -10.949 3.625 291 H GLY 37 H GLY 37 -7.350 -10.199 -0.988 292 HA2 GLY 37 HA2 GLY 37 -9.625 -10.731 -1.252 293 HA3 GLY 37 HA3 GLY 37 -9.684 -11.207 0.434 294 H ALA 38 H ALA 38 -8.333 -8.078 -0.325 295 HA ALA 38 HA ALA 38 -10.684 -6.816 0.937 296 HB1 ALA 38 HB1 ALA 38 -8.556 -6.247 1.962 297 HB2 ALA 38 HB2 ALA 38 -9.192 -4.823 1.135 298 HB3 ALA 38 HB3 ALA 38 -7.896 -5.764 0.398 299 H ASP 39 H ASP 39 -12.189 -6.410 -0.578 300 HA ASP 39 HA ASP 39 -11.652 -5.849 -3.290 301 HB2 ASP 39 HB2 ASP 39 -14.014 -5.405 -3.510 302 HB3 ASP 39 HB3 ASP 39 -13.789 -6.779 -2.442 303 H SER 40 H SER 40 -12.729 -3.824 -4.319 304 HA SER 40 HA SER 40 -11.078 -1.673 -3.977 305 HB2 SER 40 HB2 SER 40 -12.734 -0.348 -5.225 306 HB3 SER 40 HB3 SER 40 -12.528 -1.952 -5.922 307 HG SER 40 HG SER 40 -14.470 -2.530 -5.197 308 H LEU 41 H LEU 41 -14.231 -2.140 -2.348 309 HA LEU 41 HA LEU 41 -14.331 0.422 -1.138 310 HB2 LEU 41 HB2 LEU 41 -16.287 -1.092 -1.236 311 HB3 LEU 41 HB3 LEU 41 -15.476 -2.215 -0.150 312 HG LEU 41 HG LEU 41 -15.410 -0.404 1.591 313 HD11 LEU 41 HD11 LEU 41 -15.551 1.595 0.258 314 HD12 LEU 41 HD12 LEU 41 -17.031 1.516 1.211 315 HD13 LEU 41 HD13 LEU 41 -17.055 1.061 -0.491 316 HD21 LEU 41 HD21 LEU 41 -17.186 -2.084 1.634 317 HD22 LEU 41 HD22 LEU 41 -18.135 -1.145 0.481 318 HD23 LEU 41 HD23 LEU 41 -17.847 -0.519 2.105 319 H ASP 42 H ASP 42 -13.169 -2.693 0.068 320 HA ASP 42 HA ASP 42 -12.210 -1.812 2.562 321 HB2 ASP 42 HB2 ASP 42 -11.444 -4.136 0.800 322 HB3 ASP 42 HB3 ASP 42 -10.694 -3.871 2.370 323 H LEU 43 H LEU 43 -10.644 -2.022 -0.593 324 HA LEU 43 HA LEU 43 -8.034 -1.348 0.152 325 HB2 LEU 43 HB2 LEU 43 -8.667 -2.297 -2.040 326 HB3 LEU 43 HB3 LEU 43 -9.495 -0.800 -2.447 327 HG LEU 43 HG LEU 43 -7.311 0.418 -2.206 328 HD11 LEU 43 HD11 LEU 43 -6.110 -1.096 -0.733 329 HD12 LEU 43 HD12 LEU 43 -5.234 -0.997 -2.261 330 HD13 LEU 43 HD13 LEU 43 -6.238 -2.404 -1.909 331 HD21 LEU 43 HD21 LEU 43 -7.413 -1.881 -4.181 332 HD22 LEU 43 HD22 LEU 43 -6.333 -0.495 -4.319 333 HD23 LEU 43 HD23 LEU 43 -8.079 -0.266 -4.416 334 H VAL 44 H VAL 44 -10.777 0.700 -0.858 335 HA VAL 44 HA VAL 44 -9.378 3.142 -0.889 336 HB VAL 44 HB VAL 44 -12.311 2.508 -0.470 337 HG11 VAL 44 HG11 VAL 44 -12.679 4.931 -1.108 338 HG12 VAL 44 HG12 VAL 44 -10.956 5.197 -0.845 339 HG13 VAL 44 HG13 VAL 44 -11.987 4.701 0.498 340 HG21 VAL 44 HG21 VAL 44 -12.543 2.958 -2.784 341 HG22 VAL 44 HG22 VAL 44 -11.061 2.010 -2.680 342 HG23 VAL 44 HG23 VAL 44 -10.972 3.757 -2.874 343 H ASP 45 H ASP 45 -11.227 1.559 1.713 344 HA ASP 45 HA ASP 45 -10.962 3.594 3.634 345 HB2 ASP 45 HB2 ASP 45 -11.312 0.606 3.902 346 HB3 ASP 45 HB3 ASP 45 -11.321 1.696 5.284 347 H LEU 46 H LEU 46 -8.891 0.826 2.881 348 HA LEU 46 HA LEU 46 -7.078 1.118 5.043 349 HB2 LEU 46 HB2 LEU 46 -6.743 -0.105 2.296 350 HB3 LEU 46 HB3 LEU 46 -5.534 -0.220 3.571 351 HG LEU 46 HG LEU 46 -8.405 -1.101 3.953 352 HD11 LEU 46 HD11 LEU 46 -7.582 -2.526 2.230 353 HD12 LEU 46 HD12 LEU 46 -7.370 -3.438 3.723 354 HD13 LEU 46 HD13 LEU 46 -5.988 -2.636 2.976 355 HD21 LEU 46 HD21 LEU 46 -5.824 -1.536 5.481 356 HD22 LEU 46 HD22 LEU 46 -7.296 -2.460 5.787 357 HD23 LEU 46 HD23 LEU 46 -7.281 -0.717 6.044 358 H VAL 47 H VAL 47 -6.799 2.212 1.637 359 HA VAL 47 HA VAL 47 -4.339 3.501 1.985 360 HB VAL 47 HB VAL 47 -5.179 2.929 -0.233 361 HG11 VAL 47 HG11 VAL 47 -7.193 5.148 0.267 362 HG12 VAL 47 HG12 VAL 47 -7.558 3.432 0.109 363 HG13 VAL 47 HG13 VAL 47 -6.945 4.332 -1.276 364 HG21 VAL 47 HG21 VAL 47 -4.530 4.975 -1.388 365 HG22 VAL 47 HG22 VAL 47 -3.510 4.762 0.035 366 HG23 VAL 47 HG23 VAL 47 -4.833 5.929 0.064 367 H MET 48 H MET 48 -7.665 4.760 2.387 368 HA MET 48 HA MET 48 -6.974 7.453 2.786 369 HB2 MET 48 HB2 MET 48 -9.260 5.795 3.865 370 HB3 MET 48 HB3 MET 48 -9.123 7.533 4.130 371 HG2 MET 48 HG2 MET 48 -9.098 6.251 1.387 372 HG3 MET 48 HG3 MET 48 -10.546 6.911 2.143 373 HE1 MET 48 HE1 MET 48 -9.570 9.714 3.584 374 HE2 MET 48 HE2 MET 48 -10.990 9.024 2.801 375 HE3 MET 48 HE3 MET 48 -10.305 10.530 2.195 376 H ASP 49 H ASP 49 -7.200 4.735 5.067 377 HA ASP 49 HA ASP 49 -6.753 6.098 7.451 378 HB2 ASP 49 HB2 ASP 49 -7.179 3.574 7.091 379 HB3 ASP 49 HB3 ASP 49 -5.427 3.439 6.922 380 H PHE 50 H PHE 50 -4.438 5.032 5.001 381 HA PHE 50 HA PHE 50 -2.127 6.009 6.481 382 HB2 PHE 50 HB2 PHE 50 -2.073 5.493 3.516 383 HB3 PHE 50 HB3 PHE 50 -0.775 5.324 4.684 384 HD1 PHE 50 HD1 PHE 50 -2.302 3.395 2.526 385 HD2 PHE 50 HD2 PHE 50 -2.053 3.631 6.809 386 HE1 PHE 50 HE1 PHE 50 -2.824 0.985 2.687 387 HE2 PHE 50 HE2 PHE 50 -2.576 1.217 6.963 388 HZ PHE 50 HZ PHE 50 -2.971 -0.101 4.901 389 H GLU 51 H GLU 51 -4.441 7.318 4.257 390 HA GLU 51 HA GLU 51 -3.004 9.440 3.091 391 HB2 GLU 51 HB2 GLU 51 -5.308 8.660 2.417 392 HB3 GLU 51 HB3 GLU 51 -5.939 9.472 3.848 393 HG2 GLU 51 HG2 GLU 51 -4.837 11.595 3.009 394 HG3 GLU 51 HG3 GLU 51 -4.517 10.735 1.508 395 H SER 52 H SER 52 -4.879 9.249 6.112 396 HA SER 52 HA SER 52 -4.177 11.994 6.820 397 HB2 SER 52 HB2 SER 52 -5.632 11.660 8.738 398 HB3 SER 52 HB3 SER 52 -6.450 11.100 7.279 399 HG SER 52 HG SER 52 -5.348 9.650 9.411 400 H GLU 53 H GLU 53 -3.329 8.704 7.705 401 HA GLU 53 HA GLU 53 -1.977 9.207 10.120 402 HB2 GLU 53 HB2 GLU 53 -2.532 6.934 9.268 403 HB3 GLU 53 HB3 GLU 53 -1.291 7.120 8.030 404 HG2 GLU 53 HG2 GLU 53 0.433 7.361 9.770 405 HG3 GLU 53 HG3 GLU 53 -0.799 7.219 11.023 406 H PHE 54 H PHE 54 -0.685 9.046 6.776 407 HA PHE 54 HA PHE 54 1.866 10.137 7.684 408 HB2 PHE 54 HB2 PHE 54 0.884 9.137 5.011 409 HB3 PHE 54 HB3 PHE 54 2.488 9.825 5.252 410 HD1 PHE 54 HD1 PHE 54 0.281 6.971 5.922 411 HD2 PHE 54 HD2 PHE 54 4.140 8.691 6.699 412 HE1 PHE 54 HE1 PHE 54 1.078 4.790 6.792 413 HE2 PHE 54 HE2 PHE 54 4.937 6.510 7.568 414 HZ PHE 54 HZ PHE 54 3.407 4.559 7.614 415 H GLY 55 H GLY 55 -1.018 11.571 6.887 416 HA2 GLY 55 HA2 GLY 55 -1.599 13.720 6.277 417 HA3 GLY 55 HA3 GLY 55 0.063 14.165 6.660 418 H VAL 56 H VAL 56 -1.044 11.860 4.227 419 HA VAL 56 HA VAL 56 -0.100 13.669 2.086 420 HB VAL 56 HB VAL 56 0.906 11.713 0.930 421 HG11 VAL 56 HG11 VAL 56 1.881 12.433 3.693 422 HG12 VAL 56 HG12 VAL 56 2.431 13.073 2.147 423 HG13 VAL 56 HG13 VAL 56 2.819 11.415 2.603 424 HG21 VAL 56 HG21 VAL 56 1.364 9.686 2.448 425 HG22 VAL 56 HG22 VAL 56 -0.276 9.840 1.818 426 HG23 VAL 56 HG23 VAL 56 0.077 10.312 3.480 427 H LYS 57 H LYS 57 -1.115 13.468 0.102 428 HA LYS 57 HA LYS 57 -3.692 12.025 0.154 429 HB2 LYS 57 HB2 LYS 57 -3.734 14.532 -0.071 430 HB3 LYS 57 HB3 LYS 57 -2.935 14.341 -1.631 431 HG2 LYS 57 HG2 LYS 57 -4.776 13.046 -2.503 432 HG3 LYS 57 HG3 LYS 57 -5.539 12.965 -0.917 433 HD2 LYS 57 HD2 LYS 57 -5.001 15.602 -2.295 434 HD3 LYS 57 HD3 LYS 57 -6.485 14.693 -2.572 435 HE2 LYS 57 HE2 LYS 57 -5.496 15.591 0.155 436 HE3 LYS 57 HE3 LYS 57 -6.747 16.405 -0.779 437 HZ1 LYS 57 HZ1 LYS 57 -6.824 13.667 0.356 438 HZ2 LYS 57 HZ2 LYS 57 -7.942 14.217 -0.798 439 HZ3 LYS 57 HZ3 LYS 57 -7.842 14.975 0.719 440 H VAL 58 H VAL 58 -4.276 10.647 -1.506 441 HA VAL 58 HA VAL 58 -2.086 9.873 -3.305 442 HB VAL 58 HB VAL 58 -3.390 7.796 -3.662 443 HG11 VAL 58 HG11 VAL 58 -1.712 7.715 -1.964 444 HG12 VAL 58 HG12 VAL 58 -3.146 6.979 -1.252 445 HG13 VAL 58 HG13 VAL 58 -2.704 8.634 -0.835 446 HG21 VAL 58 HG21 VAL 58 -5.207 8.902 -1.488 447 HG22 VAL 58 HG22 VAL 58 -5.347 7.329 -2.271 448 HG23 VAL 58 HG23 VAL 58 -5.643 8.801 -3.195 449 H ASP 59 H ASP 59 -2.275 9.765 -5.439 450 HA ASP 59 HA ASP 59 -4.281 11.452 -6.698 451 HB2 ASP 59 HB2 ASP 59 -2.172 9.865 -8.160 452 HB3 ASP 59 HB3 ASP 59 -2.946 11.355 -8.660 453 H ASP 60 H ASP 60 -5.756 10.794 -8.313 454 HA ASP 60 HA ASP 60 -6.989 8.261 -8.036 455 HB2 ASP 60 HB2 ASP 60 -8.122 8.741 -10.176 456 HB3 ASP 60 HB3 ASP 60 -8.131 10.158 -9.133 457 H ALA 61 H ALA 61 -4.466 9.470 -10.084 458 HA ALA 61 HA ALA 61 -4.023 7.183 -11.728 459 HB1 ALA 61 HB1 ALA 61 -1.686 8.258 -11.938 460 HB2 ALA 61 HB2 ALA 61 -2.346 9.568 -10.962 461 HB3 ALA 61 HB3 ALA 61 -3.065 9.187 -12.526 462 H ASP 62 H ASP 62 -2.845 8.238 -8.553 463 HA ASP 62 HA ASP 62 -0.805 6.346 -8.218 464 HB2 ASP 62 HB2 ASP 62 -2.507 7.720 -6.127 465 HB3 ASP 62 HB3 ASP 62 -1.137 6.700 -5.753 466 H LEU 63 H LEU 63 -4.261 6.290 -7.462 467 HA LEU 63 HA LEU 63 -4.339 3.819 -6.128 468 HB2 LEU 63 HB2 LEU 63 -6.403 5.206 -7.855 469 HB3 LEU 63 HB3 LEU 63 -6.739 3.739 -6.941 470 HG LEU 63 HG LEU 63 -5.636 6.252 -5.655 471 HD11 LEU 63 HD11 LEU 63 -8.511 5.325 -5.946 472 HD12 LEU 63 HD12 LEU 63 -7.811 6.791 -6.631 473 HD13 LEU 63 HD13 LEU 63 -7.982 6.629 -4.883 474 HD21 LEU 63 HD21 LEU 63 -6.668 5.133 -3.618 475 HD22 LEU 63 HD22 LEU 63 -5.287 4.279 -4.305 476 HD23 LEU 63 HD23 LEU 63 -6.925 3.706 -4.621 477 H GLU 64 H GLU 64 -4.578 4.599 -9.614 478 HA GLU 64 HA GLU 64 -5.044 1.973 -10.514 479 HB2 GLU 64 HB2 GLU 64 -3.865 4.409 -11.846 480 HB3 GLU 64 HB3 GLU 64 -4.176 2.900 -12.704 481 HG2 GLU 64 HG2 GLU 64 -6.537 3.016 -12.194 482 HG3 GLU 64 HG3 GLU 64 -6.288 4.390 -11.122 483 H LYS 65 H LYS 65 -2.008 3.714 -9.875 484 HA LYS 65 HA LYS 65 -0.435 1.511 -10.977 485 HB2 LYS 65 HB2 LYS 65 1.507 2.867 -10.652 486 HB3 LYS 65 HB3 LYS 65 0.246 3.908 -11.297 487 HG2 LYS 65 HG2 LYS 65 -0.245 4.540 -8.862 488 HG3 LYS 65 HG3 LYS 65 1.281 3.769 -8.456 489 HD2 LYS 65 HD2 LYS 65 2.369 5.254 -10.215 490 HD3 LYS 65 HD3 LYS 65 0.847 6.135 -10.303 491 HE2 LYS 65 HE2 LYS 65 1.135 6.329 -7.679 492 HE3 LYS 65 HE3 LYS 65 2.824 5.991 -8.039 493 HZ1 LYS 65 HZ1 LYS 65 1.761 8.451 -8.093 494 HZ2 LYS 65 HZ2 LYS 65 1.563 7.996 -9.721 495 HZ3 LYS 65 HZ3 LYS 65 3.112 7.980 -9.023 496 H ILE 66 H ILE 66 -1.885 2.127 -8.023 497 HA ILE 66 HA ILE 66 0.093 0.518 -6.521 498 HB ILE 66 HB ILE 66 -2.093 2.377 -5.526 499 HG12 ILE 66 HG12 ILE 66 0.910 2.645 -5.218 500 HG13 ILE 66 HG13 ILE 66 0.047 3.349 -6.580 501 HG21 ILE 66 HG21 ILE 66 -0.883 2.003 -3.299 502 HG22 ILE 66 HG22 ILE 66 -0.123 0.606 -4.057 503 HG23 ILE 66 HG23 ILE 66 -1.874 0.663 -3.874 504 HD11 ILE 66 HD11 ILE 66 0.185 5.088 -4.955 505 HD12 ILE 66 HD12 ILE 66 -0.262 3.998 -3.642 506 HD13 ILE 66 HD13 ILE 66 -1.466 4.479 -4.839 507 H SER 67 H SER 67 -0.398 -1.602 -6.615 508 HA SER 67 HA SER 67 -3.223 -2.402 -6.199 509 HB2 SER 67 HB2 SER 67 -1.101 -3.744 -7.882 510 HB3 SER 67 HB3 SER 67 -2.682 -4.434 -7.531 511 HG SER 67 HG SER 67 -2.009 -2.647 -9.393 512 H THR 68 H THR 68 0.174 -3.412 -5.740 513 HA THR 68 HA THR 68 -0.656 -5.296 -3.656 514 HB THR 68 HB THR 68 1.701 -6.072 -3.739 515 HG1 THR 68 HG1 THR 68 3.089 -4.737 -4.519 516 HG21 THR 68 HG21 THR 68 1.625 -7.008 -6.010 517 HG22 THR 68 HG22 THR 68 0.415 -5.814 -6.477 518 HG23 THR 68 HG23 THR 68 0.021 -7.046 -5.278 519 H VAL 69 H VAL 69 0.740 -5.391 -1.692 520 HA VAL 69 HA VAL 69 0.625 -2.940 -0.280 521 HB VAL 69 HB VAL 69 2.224 -5.419 0.425 522 HG11 VAL 69 HG11 VAL 69 1.123 -3.340 2.320 523 HG12 VAL 69 HG12 VAL 69 2.752 -3.233 1.661 524 HG13 VAL 69 HG13 VAL 69 2.299 -4.605 2.657 525 HG21 VAL 69 HG21 VAL 69 0.308 -6.237 1.548 526 HG22 VAL 69 HG22 VAL 69 -0.330 -5.633 0.022 527 HG23 VAL 69 HG23 VAL 69 -0.502 -4.673 1.490 528 H GLY 70 H GLY 70 3.142 -4.421 -2.225 529 HA2 GLY 70 HA2 GLY 70 5.400 -3.022 -1.268 530 HA3 GLY 70 HA3 GLY 70 5.214 -3.635 -2.909 531 H ASP 71 H ASP 71 2.984 -2.199 -3.714 532 HA ASP 71 HA ASP 71 4.114 0.274 -4.505 533 HB2 ASP 71 HB2 ASP 71 1.302 -0.810 -4.652 534 HB3 ASP 71 HB3 ASP 71 1.779 0.742 -5.335 535 H ILE 72 H ILE 72 1.774 -0.643 -1.991 536 HA ILE 72 HA ILE 72 1.011 1.971 -1.172 537 HB ILE 72 HB ILE 72 1.222 -0.633 0.380 538 HG12 ILE 72 HG12 ILE 72 -0.342 -0.669 -1.564 539 HG13 ILE 72 HG13 ILE 72 -1.158 -0.887 -0.025 540 HG21 ILE 72 HG21 ILE 72 -0.481 0.467 1.928 541 HG22 ILE 72 HG22 ILE 72 -0.055 1.997 1.162 542 HG23 ILE 72 HG23 ILE 72 1.169 1.083 2.041 543 HD11 ILE 72 HD11 ILE 72 -0.975 1.871 -1.231 544 HD12 ILE 72 HD12 ILE 72 -2.166 1.229 -0.111 545 HD13 ILE 72 HD13 ILE 72 -2.196 0.737 -1.800 546 H VAL 73 H VAL 73 3.477 -0.267 0.073 547 HA VAL 73 HA VAL 73 4.564 1.421 2.033 548 HB VAL 73 HB VAL 73 5.745 -0.915 0.514 549 HG11 VAL 73 HG11 VAL 73 7.614 0.371 1.420 550 HG12 VAL 73 HG12 VAL 73 7.373 -1.065 2.419 551 HG13 VAL 73 HG13 VAL 73 6.805 0.507 2.983 552 HG21 VAL 73 HG21 VAL 73 4.698 -0.748 3.349 553 HG22 VAL 73 HG22 VAL 73 5.112 -2.202 2.442 554 HG23 VAL 73 HG23 VAL 73 3.706 -1.244 1.978 555 H SER 74 H SER 74 5.730 0.768 -1.284 556 HA SER 74 HA SER 74 7.925 2.530 -1.208 557 HB2 SER 74 HB2 SER 74 7.918 2.335 -3.648 558 HB3 SER 74 HB3 SER 74 7.649 0.763 -2.902 559 HG SER 74 HG SER 74 6.199 1.526 -4.703 560 H TYR 75 H TYR 75 4.539 3.052 -1.963 561 HA TYR 75 HA TYR 75 4.736 5.568 -3.194 562 HB2 TYR 75 HB2 TYR 75 2.689 4.213 -3.262 563 HB3 TYR 75 HB3 TYR 75 2.479 4.426 -1.525 564 HD1 TYR 75 HD1 TYR 75 2.563 6.202 -4.790 565 HD2 TYR 75 HD2 TYR 75 1.557 6.443 -0.623 566 HE1 TYR 75 HE1 TYR 75 1.415 8.361 -5.194 567 HE2 TYR 75 HE2 TYR 75 0.403 8.599 -1.025 568 HH TYR 75 HH TYR 75 -0.293 10.070 -2.578 569 H ILE 76 H ILE 76 4.187 4.711 0.216 570 HA ILE 76 HA ILE 76 4.011 7.371 1.142 571 HB ILE 76 HB ILE 76 4.808 4.909 2.719 572 HG12 ILE 76 HG12 ILE 76 2.083 6.173 2.263 573 HG13 ILE 76 HG13 ILE 76 2.644 4.745 1.431 574 HG21 ILE 76 HG21 ILE 76 5.270 7.020 3.907 575 HG22 ILE 76 HG22 ILE 76 3.843 6.261 4.613 576 HG23 ILE 76 HG23 ILE 76 3.663 7.621 3.508 577 HD11 ILE 76 HD11 ILE 76 2.626 4.811 4.441 578 HD12 ILE 76 HD12 ILE 76 2.606 3.416 3.365 579 HD13 ILE 76 HD13 ILE 76 1.163 4.411 3.542 580 H GLU 77 H GLU 77 6.739 5.151 0.887 581 HA GLU 77 HA GLU 77 8.643 6.673 2.280 582 HB2 GLU 77 HB2 GLU 77 8.912 4.687 0.035 583 HB3 GLU 77 HB3 GLU 77 10.301 5.383 0.866 584 HG2 GLU 77 HG2 GLU 77 9.400 4.532 3.017 585 HG3 GLU 77 HG3 GLU 77 8.061 3.794 2.139 586 H LYS 78 H LYS 78 7.718 6.767 -1.168 587 HA LYS 78 HA LYS 78 9.743 8.793 -1.720 588 HB2 LYS 78 HB2 LYS 78 7.674 7.533 -3.532 589 HB3 LYS 78 HB3 LYS 78 8.956 8.624 -4.050 590 HG2 LYS 78 HG2 LYS 78 9.464 5.987 -2.635 591 HG3 LYS 78 HG3 LYS 78 9.479 6.174 -4.387 592 HD2 LYS 78 HD2 LYS 78 11.284 7.875 -4.167 593 HD3 LYS 78 HD3 LYS 78 11.297 7.612 -2.424 594 HE2 LYS 78 HE2 LYS 78 11.864 5.237 -2.784 595 HE3 LYS 78 HE3 LYS 78 11.861 5.502 -4.528 596 HZ1 LYS 78 HZ1 LYS 78 13.695 6.676 -2.519 597 HZ2 LYS 78 HZ2 LYS 78 13.580 7.255 -4.112 598 HZ3 LYS 78 HZ3 LYS 78 14.090 5.660 -3.819 599 H LYS 79 H LYS 79 6.246 8.599 -1.359 600 HA LYS 79 HA LYS 79 5.548 11.092 -2.458 601 HB2 LYS 79 HB2 LYS 79 3.961 9.244 -1.807 602 HB3 LYS 79 HB3 LYS 79 4.176 9.735 -0.130 603 HG2 LYS 79 HG2 LYS 79 2.210 10.862 -0.859 604 HG3 LYS 79 HG3 LYS 79 3.479 12.088 -0.904 605 HD2 LYS 79 HD2 LYS 79 3.733 11.861 -3.284 606 HD3 LYS 79 HD3 LYS 79 2.709 10.427 -3.319 607 HE2 LYS 79 HE2 LYS 79 0.814 11.861 -2.470 608 HE3 LYS 79 HE3 LYS 79 1.859 13.264 -2.688 609 HZ1 LYS 79 HZ1 LYS 79 0.774 11.436 -4.743 610 HZ2 LYS 79 HZ2 LYS 79 2.153 12.387 -5.051 611 HZ3 LYS 79 HZ3 LYS 79 0.674 13.130 -4.665 612 H LEU 80 H LEU 80 6.471 10.175 0.856 613 HA LEU 80 HA LEU 80 6.088 12.756 1.991 614 HB2 LEU 80 HB2 LEU 80 7.715 10.365 2.869 615 HB3 LEU 80 HB3 LEU 80 7.556 11.832 3.833 616 HG LEU 80 HG LEU 80 5.161 10.263 2.833 617 HD11 LEU 80 HD11 LEU 80 6.397 10.149 5.596 618 HD12 LEU 80 HD12 LEU 80 6.688 8.929 4.358 619 HD13 LEU 80 HD13 LEU 80 5.058 9.181 4.980 620 HD21 LEU 80 HD21 LEU 80 5.588 12.436 4.907 621 HD22 LEU 80 HD22 LEU 80 4.103 11.492 4.797 622 HD23 LEU 80 HD23 LEU 80 4.593 12.524 3.453 623 H GLY 81 H GLY 81 8.740 11.259 0.259 624 HA2 GLY 81 HA2 GLY 81 10.045 13.654 -0.359 625 HA3 GLY 81 HA3 GLY 81 10.837 12.981 1.062
Contact the webmaster for help, if required. Saturday, June 29, 2024 2:20:43 AM GMT (wattos1)