NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
20238 | 2fce | cing | 1-original | 9 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 80 H LYS 80 175.831 18.291 -9.821 2 HA LYS 80 HA LYS 80 175.757 15.922 -9.841 3 1HB LYS 80 2HB LYS 80 177.454 14.786 -8.432 4 2HB LYS 80 1HB LYS 80 178.159 16.148 -9.298 5 1HG LYS 80 2HG LYS 80 177.928 17.562 -7.296 6 2HG LYS 80 1HG LYS 80 177.201 16.214 -6.421 7 1HD LYS 80 2HD LYS 80 179.410 14.960 -7.184 8 2HD LYS 80 1HD LYS 80 180.043 16.604 -7.279 9 1HE LYS 80 2HE LYS 80 179.351 17.010 -4.934 10 2HE LYS 80 1HE LYS 80 178.742 15.345 -4.835 11 1HZ LYS 80 1HZ LYS 80 180.970 15.317 -4.045 12 2HZ LYS 80 2HZ LYS 80 181.529 16.216 -5.374 13 3HZ LYS 80 3HZ LYS 80 180.992 14.619 -5.591 14 H ALA 81 H ALA 81 175.774 14.189 -7.622 15 HA ALA 81 HA ALA 81 173.243 14.950 -6.226 16 1HB ALA 81 1HB ALA 81 174.765 12.385 -6.741 17 2HB ALA 81 2HB ALA 81 173.239 12.888 -7.467 18 3HB ALA 81 3HB ALA 81 173.304 12.465 -5.756 19 H LYS 82 H LYS 82 173.117 14.853 -3.937 20 HA LYS 82 HA LYS 82 175.737 15.006 -2.497 21 1HB LYS 82 2HB LYS 82 172.929 16.007 -2.104 22 2HB LYS 82 1HB LYS 82 174.020 15.894 -0.722 23 1HG LYS 82 2HG LYS 82 175.704 17.230 -2.030 24 2HG LYS 82 1HG LYS 82 174.476 17.463 -3.274 25 1HD LYS 82 2HD LYS 82 173.051 18.665 -1.771 26 2HD LYS 82 1HD LYS 82 174.030 18.209 -0.376 27 1HE LYS 82 2HE LYS 82 175.485 19.629 -2.545 28 2HE LYS 82 1HE LYS 82 174.313 20.597 -1.629 29 1HZ LYS 82 1HZ LYS 82 175.294 19.884 0.417 30 2HZ LYS 82 2HZ LYS 82 176.537 20.492 -0.569 31 3HZ LYS 82 3HZ LYS 82 176.338 18.815 -0.385 32 H THR 83 H THR 83 175.728 14.157 -0.301 33 HA THR 83 HA THR 83 175.466 11.364 -0.164 34 HB THR 83 HB THR 83 175.183 13.296 2.162 35 HG1 THR 83 HG1 THR 83 177.135 13.891 1.748 36 1HG2 THR 83 1HG2 THR 83 175.477 10.435 1.969 37 2HG2 THR 83 2HG2 THR 83 175.330 11.435 3.414 38 3HG2 THR 83 3HG2 THR 83 176.918 11.124 2.716 39 H GLU 84 H GLU 84 173.076 13.838 0.534 40 HA GLU 84 HA GLU 84 171.076 12.450 1.933 41 1HB GLU 84 2HB GLU 84 170.975 14.513 -0.291 42 2HB GLU 84 1HB GLU 84 169.554 14.053 0.656 43 1HG GLU 84 2HG GLU 84 172.132 15.040 1.903 44 2HG GLU 84 1HG GLU 84 170.772 16.097 1.521 45 H ASP 85 H ASP 85 171.764 12.383 -1.550 46 HA ASP 85 HA ASP 85 169.467 10.880 -2.397 47 1HB ASP 85 2HB ASP 85 171.133 12.154 -3.808 48 2HB ASP 85 1HB ASP 85 172.288 10.852 -3.521 49 H PHE 86 H PHE 86 172.751 9.841 -1.478 50 HA PHE 86 HA PHE 86 172.168 6.990 -1.701 51 1HB PHE 86 2HB PHE 86 174.393 8.798 -0.930 52 2HB PHE 86 1HB PHE 86 174.438 7.182 -0.225 53 HD1 PHE 86 HD1 PHE 86 175.685 8.979 -2.865 54 HD2 PHE 86 HD2 PHE 86 173.531 5.339 -2.116 55 HE1 PHE 86 HE1 PHE 86 176.495 8.054 -5.020 56 HE2 PHE 86 HE2 PHE 86 174.342 4.415 -4.268 57 HZ PHE 86 HZ PHE 86 175.823 5.771 -5.722 58 H VAL 87 H VAL 87 172.403 9.293 1.037 59 HA VAL 87 HA VAL 87 172.224 7.398 3.133 60 HB VAL 87 HB VAL 87 171.226 10.262 2.946 61 1HG1 VAL 87 1HG1 VAL 87 171.368 10.329 5.354 62 2HG1 VAL 87 2HG1 VAL 87 172.057 8.706 5.411 63 3HG1 VAL 87 3HG1 VAL 87 170.377 8.934 4.926 64 1HG2 VAL 87 1HG2 VAL 87 173.787 9.501 4.270 65 2HG2 VAL 87 2HG2 VAL 87 173.388 10.948 3.345 66 3HG2 VAL 87 3HG2 VAL 87 173.755 9.440 2.508 67 H LYS 88 H LYS 88 169.599 9.338 1.636 68 HA LYS 88 HA LYS 88 167.410 8.295 3.093 69 1HB LYS 88 2HB LYS 88 167.501 10.264 1.516 70 2HB LYS 88 1HB LYS 88 167.455 9.118 0.176 71 1HG LYS 88 2HG LYS 88 165.305 8.250 0.944 72 2HG LYS 88 1HG LYS 88 165.358 9.303 2.358 73 1HD LYS 88 2HD LYS 88 165.423 11.279 0.820 74 2HD LYS 88 1HD LYS 88 165.207 10.178 -0.541 75 1HE LYS 88 2HE LYS 88 163.001 10.931 -0.018 76 2HE LYS 88 1HE LYS 88 163.109 9.330 0.742 77 1HZ LYS 88 1HZ LYS 88 163.699 10.321 2.812 78 2HZ LYS 88 2HZ LYS 88 162.299 11.110 2.261 79 3HZ LYS 88 3HZ LYS 88 163.815 11.864 2.119 80 H ALA 89 H ALA 89 169.088 6.966 0.290 81 HA ALA 89 HA ALA 89 167.187 4.993 -0.516 82 1HB ALA 89 1HB ALA 89 168.890 4.356 -1.918 83 2HB ALA 89 2HB ALA 89 170.102 4.412 -0.638 84 3HB ALA 89 3HB ALA 89 169.555 5.905 -1.400 85 H PHE 90 H PHE 90 170.134 4.396 1.485 86 HA PHE 90 HA PHE 90 169.186 1.747 2.230 87 1HB PHE 90 2HB PHE 90 171.465 3.551 3.063 88 2HB PHE 90 1HB PHE 90 171.255 1.925 3.717 89 HD1 PHE 90 HD1 PHE 90 172.610 3.844 1.027 90 HD2 PHE 90 HD2 PHE 90 170.941 0.001 1.980 91 HE1 PHE 90 HE1 PHE 90 173.661 2.884 -1.001 92 HE2 PHE 90 HE2 PHE 90 171.994 -0.957 -0.050 93 HZ PHE 90 HZ PHE 90 173.354 0.484 -1.540 94 H GLN 91 H GLN 91 169.762 4.709 4.189 95 HA GLN 91 HA GLN 91 168.941 3.841 6.675 96 1HB GLN 91 2HB GLN 91 168.624 6.452 5.213 97 2HB GLN 91 1HB GLN 91 168.102 6.294 6.890 98 1HG GLN 91 2HG GLN 91 170.522 5.181 7.136 99 2HG GLN 91 1HG GLN 91 170.857 6.218 5.749 100 1HE2 GLN 91 1HE2 GLN 91 170.841 6.204 9.115 101 2HE2 GLN 91 2HE2 GLN 91 170.723 7.876 9.382 102 H VAL 92 H VAL 92 166.668 4.863 4.071 103 HA VAL 92 HA VAL 92 164.313 4.846 5.668 104 HB VAL 92 HB VAL 92 164.846 4.265 2.734 105 1HG1 VAL 92 1HG1 VAL 92 162.717 3.261 3.093 106 2HG1 VAL 92 2HG1 VAL 92 162.353 4.883 2.505 107 3HG1 VAL 92 3HG1 VAL 92 162.227 4.520 4.226 108 1HG2 VAL 92 1HG2 VAL 92 164.396 6.539 2.391 109 2HG2 VAL 92 2HG2 VAL 92 165.259 6.560 3.929 110 3HG2 VAL 92 3HG2 VAL 92 163.500 6.689 3.903 111 H PHE 93 H PHE 93 166.075 2.204 4.095 112 HA PHE 93 HA PHE 93 164.128 0.113 4.494 113 1HB PHE 93 2HB PHE 93 166.202 0.102 3.029 114 2HB PHE 93 1HB PHE 93 167.160 -0.080 4.498 115 HD1 PHE 93 HD1 PHE 93 167.087 -2.143 5.811 116 HD2 PHE 93 HD2 PHE 93 164.753 -1.699 2.232 117 HE1 PHE 93 HE1 PHE 93 166.667 -4.587 5.781 118 HE2 PHE 93 HE2 PHE 93 164.334 -4.143 2.202 119 HZ PHE 93 HZ PHE 93 165.291 -5.587 3.977 120 H ASP 94 H ASP 94 166.813 1.357 6.520 121 HA ASP 94 HA ASP 94 166.627 -0.562 8.634 122 1HB ASP 94 2HB ASP 94 167.521 2.326 8.466 123 2HB ASP 94 1HB ASP 94 167.728 1.351 9.922 124 H LYS 95 H LYS 95 164.241 -0.773 8.840 125 HA LYS 95 HA LYS 95 162.516 1.335 9.714 126 1HB LYS 95 2HB LYS 95 162.505 -1.673 10.099 127 2HB LYS 95 1HB LYS 95 161.139 -0.639 10.516 128 1HG LYS 95 2HG LYS 95 162.391 -0.647 7.763 129 2HG LYS 95 1HG LYS 95 161.048 -1.704 8.200 130 1HD LYS 95 2HD LYS 95 159.815 0.395 8.964 131 2HD LYS 95 1HD LYS 95 161.087 1.320 8.165 132 1HE LYS 95 2HE LYS 95 159.601 1.141 6.391 133 2HE LYS 95 1HE LYS 95 160.482 -0.382 6.156 134 1HZ LYS 95 1HZ LYS 95 158.118 -0.818 6.262 135 2HZ LYS 95 2HZ LYS 95 158.003 -0.018 7.757 136 3HZ LYS 95 3HZ LYS 95 158.878 -1.469 7.631 137 H GLU 96 H GLU 96 164.475 -1.026 11.572 138 HA GLU 96 HA GLU 96 163.630 0.203 14.128 139 1HB GLU 96 2HB GLU 96 165.398 -2.127 13.332 140 2HB GLU 96 1HB GLU 96 165.091 -1.673 15.009 141 1HG GLU 96 2HG GLU 96 162.904 -2.307 13.010 142 2HG GLU 96 1HG GLU 96 163.564 -3.482 14.149 143 H SER 97 H SER 97 165.591 1.429 11.947 144 HA SER 97 HA SER 97 167.631 2.542 11.879 145 1HB SER 97 2HB SER 97 166.164 4.098 12.920 146 2HB SER 97 1HB SER 97 166.252 3.260 14.466 147 HG SER 97 HG SER 97 167.713 5.262 13.703 148 H THR 98 H THR 98 168.685 0.167 12.348 149 HA THR 98 HA THR 98 170.134 0.129 14.942 150 HB THR 98 HB THR 98 171.014 -2.037 13.850 151 HG1 THR 98 HG1 THR 98 170.398 -2.441 11.891 152 1HG2 THR 98 1HG2 THR 98 168.027 -2.094 13.877 153 2HG2 THR 98 2HG2 THR 98 168.861 -1.612 15.355 154 3HG2 THR 98 3HG2 THR 98 169.177 -3.193 14.639 155 H GLY 99 H GLY 99 170.708 0.672 11.503 156 1HA GLY 99 2HA GLY 99 172.448 2.153 10.701 157 2HA GLY 99 1HA GLY 99 173.340 1.866 12.190 158 H LYS 100 H LYS 100 172.131 -1.063 10.912 159 HA LYS 100 HA LYS 100 174.701 -1.574 9.464 160 1HB LYS 100 2HB LYS 100 173.278 -3.178 11.603 161 2HB LYS 100 1HB LYS 100 174.576 -3.843 10.614 162 1HG LYS 100 2HG LYS 100 176.046 -2.968 12.083 163 2HG LYS 100 1HG LYS 100 175.561 -1.367 11.527 164 1HD LYS 100 2HD LYS 100 175.083 -1.155 13.779 165 2HD LYS 100 1HD LYS 100 173.538 -1.787 13.210 166 1HE LYS 100 2HE LYS 100 174.038 -3.993 13.964 167 2HE LYS 100 1HE LYS 100 175.759 -3.612 14.169 168 1HZ LYS 100 1HZ LYS 100 173.498 -2.414 15.681 169 2HZ LYS 100 2HZ LYS 100 175.121 -1.929 15.818 170 3HZ LYS 100 3HZ LYS 100 174.654 -3.491 16.297 171 H VAL 101 H VAL 101 174.504 -3.269 7.804 172 HA VAL 101 HA VAL 101 171.812 -4.373 7.284 173 HB VAL 101 HB VAL 101 171.859 -3.449 4.944 174 1HG1 VAL 101 1HG1 VAL 101 170.764 -2.280 6.953 175 2HG1 VAL 101 2HG1 VAL 101 171.100 -1.276 5.543 176 3HG1 VAL 101 3HG1 VAL 101 172.163 -1.206 6.948 177 1HG2 VAL 101 1HG2 VAL 101 174.390 -3.176 4.961 178 2HG2 VAL 101 2HG2 VAL 101 174.148 -1.732 5.944 179 3HG2 VAL 101 3HG2 VAL 101 173.492 -1.805 4.309 180 H SER 102 H SER 102 171.889 -6.079 5.602 181 HA SER 102 HA SER 102 174.382 -7.630 5.729 182 1HB SER 102 2HB SER 102 172.891 -9.177 4.313 183 2HB SER 102 1HB SER 102 172.321 -8.804 5.937 184 HG SER 102 HG SER 102 170.858 -8.551 3.970 185 H VAL 103 H VAL 103 175.768 -8.035 3.987 186 HA VAL 103 HA VAL 103 176.146 -6.083 1.972 187 HB VAL 103 HB VAL 103 177.827 -7.698 2.788 188 1HG1 VAL 103 1HG1 VAL 103 176.325 -9.762 1.155 189 2HG1 VAL 103 2HG1 VAL 103 176.229 -9.642 2.911 190 3HG1 VAL 103 3HG1 VAL 103 177.765 -10.029 2.136 191 1HG2 VAL 103 1HG2 VAL 103 177.534 -8.343 -0.125 192 2HG2 VAL 103 2HG2 VAL 103 178.972 -7.852 0.772 193 3HG2 VAL 103 3HG2 VAL 103 177.744 -6.658 0.352 194 H GLY 104 H GLY 104 174.374 -9.196 1.791 195 1HA GLY 104 2HA GLY 104 173.881 -9.202 -0.997 196 2HA GLY 104 1HA GLY 104 172.852 -9.982 0.203 197 H ASP 105 H ASP 105 172.055 -7.673 1.650 198 HA ASP 105 HA ASP 105 169.980 -6.640 -0.147 199 1HB ASP 105 2HB ASP 105 169.841 -7.329 2.344 200 2HB ASP 105 1HB ASP 105 170.597 -5.771 2.681 201 H LEU 106 H LEU 106 172.826 -5.358 1.551 202 HA LEU 106 HA LEU 106 172.484 -2.595 0.967 203 1HB LEU 106 2HB LEU 106 174.102 -3.557 2.567 204 2HB LEU 106 1HB LEU 106 175.001 -4.278 1.233 205 HG LEU 106 HG LEU 106 175.258 -1.914 0.303 206 1HD1 LEU 106 1HD1 LEU 106 174.798 -0.920 3.079 207 2HD1 LEU 106 2HD1 LEU 106 173.378 -1.204 2.074 208 3HD1 LEU 106 3HD1 LEU 106 174.624 -0.075 1.542 209 1HD2 LEU 106 1HD2 LEU 106 176.959 -3.279 1.703 210 2HD2 LEU 106 2HD2 LEU 106 176.503 -2.220 3.038 211 3HD2 LEU 106 3HD2 LEU 106 177.219 -1.539 1.578 212 H ARG 107 H ARG 107 174.359 -5.073 -0.849 213 HA ARG 107 HA ARG 107 175.112 -3.312 -2.990 214 1HB ARG 107 2HB ARG 107 175.945 -5.691 -2.194 215 2HB ARG 107 1HB ARG 107 174.736 -6.275 -3.339 216 1HG ARG 107 2HG ARG 107 176.536 -4.109 -4.302 217 2HG ARG 107 1HG ARG 107 177.270 -5.698 -4.078 218 1HD ARG 107 2HD ARG 107 174.697 -5.284 -5.637 219 2HD ARG 107 1HD ARG 107 176.301 -5.320 -6.396 220 HE ARG 107 HE ARG 107 176.271 -7.589 -4.796 221 1HH1 ARG 107 1HH2 ARG 107 173.338 -7.723 -5.211 222 2HH1 ARG 107 2HH2 ARG 107 173.203 -8.619 -6.687 223 1HH2 ARG 107 2HH1 ARG 107 176.511 -8.122 -7.600 224 2HH2 ARG 107 1HH1 ARG 107 175.000 -8.844 -8.040 225 H TYR 108 H TYR 108 172.204 -5.240 -2.442 226 HA TYR 108 HA TYR 108 171.240 -5.184 -5.155 227 1HB TYR 108 2HB TYR 108 170.489 -6.590 -3.121 228 2HB TYR 108 1HB TYR 108 169.550 -5.177 -2.640 229 HD1 TYR 108 HD1 TYR 108 169.812 -7.974 -4.961 230 HD2 TYR 108 HD2 TYR 108 167.752 -4.296 -4.137 231 HE1 TYR 108 HE1 TYR 108 168.026 -8.618 -6.556 232 HE2 TYR 108 HE2 TYR 108 165.965 -4.940 -5.732 233 HH TYR 108 HH TYR 108 166.008 -6.669 -7.938 234 H MET 109 H MET 109 170.527 -3.036 -2.369 235 HA MET 109 HA MET 109 168.792 -1.292 -3.795 236 1HB MET 109 2HB MET 109 170.413 -1.250 -1.302 237 2HB MET 109 1HB MET 109 169.832 0.308 -1.889 238 1HG MET 109 2HG MET 109 167.656 -1.510 -2.125 239 2HG MET 109 1HG MET 109 168.370 -1.781 -0.538 240 1HE MET 109 1HE MET 109 167.883 0.743 -3.090 241 2HE MET 109 2HE MET 109 168.390 2.152 -2.162 242 3HE MET 109 3HE MET 109 166.679 1.887 -2.484 243 H LEU 110 H LEU 110 172.334 -1.193 -3.305 244 HA LEU 110 HA LEU 110 172.880 1.337 -4.477 245 1HB LEU 110 2HB LEU 110 174.310 -0.717 -3.402 246 2HB LEU 110 1HB LEU 110 174.688 -0.941 -5.111 247 HG LEU 110 HG LEU 110 175.234 1.552 -5.181 248 1HD1 LEU 110 1HD1 LEU 110 175.228 1.159 -2.172 249 2HD1 LEU 110 2HD1 LEU 110 174.057 2.124 -3.070 250 3HD1 LEU 110 3HD1 LEU 110 175.752 2.610 -3.025 251 1HD2 LEU 110 1HD2 LEU 110 177.077 0.268 -3.214 252 2HD2 LEU 110 2HD2 LEU 110 177.447 1.070 -4.741 253 3HD2 LEU 110 3HD2 LEU 110 176.813 -0.576 -4.739 254 H THR 111 H THR 111 172.552 -1.869 -5.955 255 HA THR 111 HA THR 111 173.004 -1.126 -8.693 256 HB THR 111 HB THR 111 171.148 -3.268 -7.606 257 HG1 THR 111 HG1 THR 111 172.855 -4.294 -6.952 258 1HG2 THR 111 1HG2 THR 111 172.886 -3.200 -10.087 259 2HG2 THR 111 2HG2 THR 111 171.154 -2.870 -10.075 260 3HG2 THR 111 3HG2 THR 111 171.749 -4.470 -9.633 261 H GLY 112 H GLY 112 170.206 -0.881 -6.604 262 1HA GLY 112 2HA GLY 112 168.395 -0.099 -8.794 263 2HA GLY 112 1HA GLY 112 167.965 -0.237 -7.090 264 H LEU 113 H LEU 113 170.660 1.417 -6.715 265 HA LEU 113 HA LEU 113 169.292 4.030 -6.629 266 1HB LEU 113 2HB LEU 113 170.871 2.570 -4.930 267 2HB LEU 113 1HB LEU 113 172.053 3.668 -5.635 268 HG LEU 113 HG LEU 113 169.450 4.483 -4.304 269 1HD1 LEU 113 1HD1 LEU 113 170.913 3.834 -2.577 270 2HD1 LEU 113 2HD1 LEU 113 171.209 5.567 -2.723 271 3HD1 LEU 113 3HD1 LEU 113 172.334 4.414 -3.441 272 1HD2 LEU 113 1HD2 LEU 113 170.034 6.066 -6.057 273 2HD2 LEU 113 2HD2 LEU 113 171.714 6.098 -5.523 274 3HD2 LEU 113 3HD2 LEU 113 170.452 6.786 -4.502 275 H GLY 114 H GLY 114 171.029 2.562 -9.053 276 1HA GLY 114 2HA GLY 114 171.822 3.847 -10.967 277 2HA GLY 114 1HA GLY 114 172.268 5.150 -9.863 278 H GLU 115 H GLU 115 172.919 1.793 -9.240 279 HA GLU 115 HA GLU 115 175.871 2.334 -9.482 280 1HB GLU 115 2HB GLU 115 174.724 1.809 -7.214 281 2HB GLU 115 1HB GLU 115 174.605 0.159 -7.825 282 1HG GLU 115 2HG GLU 115 176.663 0.103 -6.723 283 2HG GLU 115 1HG GLU 115 177.151 0.468 -8.377 284 H LYS 116 H LYS 116 176.766 1.275 -11.219 285 HA LYS 116 HA LYS 116 175.647 -1.362 -11.949 286 1HB LYS 116 2HB LYS 116 176.408 -0.666 -14.307 287 2HB LYS 116 1HB LYS 116 174.995 0.173 -13.699 288 1HG LYS 116 2HG LYS 116 176.446 2.063 -13.014 289 2HG LYS 116 1HG LYS 116 177.852 1.206 -13.646 290 1HD LYS 116 2HD LYS 116 176.928 1.256 -15.898 291 2HD LYS 116 1HD LYS 116 175.432 1.977 -15.302 292 1HE LYS 116 2HE LYS 116 176.595 4.009 -14.652 293 2HE LYS 116 1HE LYS 116 178.165 3.280 -15.042 294 1HZ LYS 116 1HZ LYS 116 175.951 3.502 -17.003 295 2HZ LYS 116 2HZ LYS 116 177.570 3.088 -17.308 296 3HZ LYS 116 3HZ LYS 116 177.167 4.676 -16.856 297 H LEU 117 H LEU 117 177.406 -1.609 -10.172 298 HA LEU 117 HA LEU 117 180.157 -1.777 -11.268 299 1HB LEU 117 2HB LEU 117 178.916 -2.427 -8.568 300 2HB LEU 117 1HB LEU 117 180.644 -2.411 -8.920 301 HG LEU 117 HG LEU 117 178.849 -0.006 -9.312 302 1HD1 LEU 117 1HD1 LEU 117 178.830 -0.400 -6.962 303 2HD1 LEU 117 2HD1 LEU 117 180.092 0.806 -7.218 304 3HD1 LEU 117 3HD1 LEU 117 180.527 -0.882 -6.954 305 1HD2 LEU 117 1HD2 LEU 117 181.088 1.157 -9.275 306 2HD2 LEU 117 2HD2 LEU 117 180.869 0.073 -10.649 307 3HD2 LEU 117 3HD2 LEU 117 181.852 -0.433 -9.275 308 H THR 118 H THR 118 181.190 -3.854 -11.514 309 HA THR 118 HA THR 118 179.283 -6.162 -11.648 310 HB THR 118 HB THR 118 181.930 -5.879 -13.058 311 HG1 THR 118 HG1 THR 118 181.055 -4.366 -14.190 312 1HG2 THR 118 1HG2 THR 118 180.830 -8.102 -12.991 313 2HG2 THR 118 2HG2 THR 118 180.914 -7.454 -14.629 314 3HG2 THR 118 3HG2 THR 118 179.396 -7.392 -13.733 315 H ASP 119 H ASP 119 179.872 -8.087 -10.493 316 HA ASP 119 HA ASP 119 181.313 -8.141 -8.200 317 1HB ASP 119 2HB ASP 119 179.949 -9.944 -9.354 318 2HB ASP 119 1HB ASP 119 181.417 -10.380 -10.230 319 H ALA 120 H ALA 120 182.821 -8.182 -11.399 320 HA ALA 120 HA ALA 120 185.465 -9.067 -10.667 321 1HB ALA 120 1HB ALA 120 184.176 -7.418 -12.821 322 2HB ALA 120 2HB ALA 120 185.052 -8.942 -12.961 323 3HB ALA 120 3HB ALA 120 185.936 -7.438 -12.709 324 H GLU 121 H GLU 121 184.118 -5.756 -11.030 325 HA GLU 121 HA GLU 121 186.440 -4.490 -9.794 326 1HB GLU 121 2HB GLU 121 183.671 -3.617 -10.654 327 2HB GLU 121 1HB GLU 121 184.834 -2.498 -9.947 328 1HG GLU 121 2HG GLU 121 186.426 -2.933 -11.723 329 2HG GLU 121 1HG GLU 121 185.400 -4.207 -12.383 330 H VAL 122 H VAL 122 183.096 -5.215 -8.781 331 HA VAL 122 HA VAL 122 183.155 -3.996 -6.186 332 HB VAL 122 HB VAL 122 181.689 -6.468 -7.181 333 1HG1 VAL 122 1HG1 VAL 122 181.333 -6.443 -4.862 334 2HG1 VAL 122 2HG1 VAL 122 179.974 -5.488 -5.454 335 3HG1 VAL 122 3HG1 VAL 122 181.388 -4.682 -4.773 336 1HG2 VAL 122 1HG2 VAL 122 181.198 -4.644 -8.664 337 2HG2 VAL 122 2HG2 VAL 122 181.066 -3.509 -7.321 338 3HG2 VAL 122 3HG2 VAL 122 179.838 -4.754 -7.546 339 H ASP 123 H ASP 123 184.239 -7.220 -7.265 340 HA ASP 123 HA ASP 123 184.708 -8.279 -4.638 341 1HB ASP 123 2HB ASP 123 184.614 -9.624 -6.721 342 2HB ASP 123 1HB ASP 123 186.083 -8.837 -7.297 343 H GLU 124 H GLU 124 186.700 -6.348 -6.846 344 HA GLU 124 HA GLU 124 189.167 -6.387 -5.360 345 1HB GLU 124 2HB GLU 124 187.874 -4.339 -7.190 346 2HB GLU 124 1HB GLU 124 189.560 -4.287 -6.676 347 1HG GLU 124 2HG GLU 124 188.295 -6.624 -8.135 348 2HG GLU 124 1HG GLU 124 189.249 -5.363 -8.918 349 H LEU 125 H LEU 125 186.467 -4.043 -5.401 350 HA LEU 125 HA LEU 125 187.416 -2.266 -3.395 351 1HB LEU 125 2HB LEU 125 184.659 -3.108 -4.321 352 2HB LEU 125 1HB LEU 125 184.931 -1.759 -3.221 353 HG LEU 125 HG LEU 125 186.211 -2.007 -5.956 354 1HD1 LEU 125 1HD1 LEU 125 184.558 0.093 -6.199 355 2HD1 LEU 125 2HD1 LEU 125 183.631 -0.837 -5.022 356 3HD1 LEU 125 3HD1 LEU 125 184.042 -1.549 -6.582 357 1HD2 LEU 125 1HD2 LEU 125 186.282 -0.002 -3.724 358 2HD2 LEU 125 2HD2 LEU 125 186.412 0.572 -5.386 359 3HD2 LEU 125 3HD2 LEU 125 187.595 -0.572 -4.754 360 H LEU 126 H LEU 126 185.174 -5.028 -3.137 361 HA LEU 126 HA LEU 126 184.741 -4.937 -0.322 362 1HB LEU 126 2HB LEU 126 184.605 -7.069 -2.452 363 2HB LEU 126 1HB LEU 126 184.176 -7.422 -0.778 364 HG LEU 126 HG LEU 126 182.970 -5.107 -2.305 365 1HD1 LEU 126 1HD1 LEU 126 181.043 -6.536 -2.750 366 2HD1 LEU 126 2HD1 LEU 126 181.820 -7.889 -1.928 367 3HD1 LEU 126 3HD1 LEU 126 182.484 -7.278 -3.443 368 1HD2 LEU 126 1HD2 LEU 126 181.147 -5.685 -0.506 369 2HD2 LEU 126 2HD2 LEU 126 182.582 -4.785 -0.014 370 3HD2 LEU 126 3HD2 LEU 126 182.472 -6.515 0.308 371 H LYS 127 H LYS 127 187.519 -5.974 -2.122 372 HA LYS 127 HA LYS 127 188.594 -8.041 -0.578 373 1HB LYS 127 2HB LYS 127 189.385 -7.043 -2.755 374 2HB LYS 127 1HB LYS 127 190.130 -5.747 -1.818 375 1HG LYS 127 2HG LYS 127 191.899 -7.263 -2.039 376 2HG LYS 127 1HG LYS 127 191.226 -7.708 -0.470 377 1HD LYS 127 2HD LYS 127 189.895 -9.489 -1.541 378 2HD LYS 127 1HD LYS 127 190.566 -9.047 -3.111 379 1HE LYS 127 2HE LYS 127 192.812 -9.651 -2.387 380 2HE LYS 127 1HE LYS 127 192.233 -9.954 -0.736 381 1HZ LYS 127 1HZ LYS 127 190.739 -11.637 -1.587 382 2HZ LYS 127 2HZ LYS 127 192.333 -12.006 -2.047 383 3HZ LYS 127 3HZ LYS 127 191.252 -11.341 -3.176 384 H GLY 128 H GLY 128 188.213 -4.691 0.356 385 1HA GLY 128 2HA GLY 128 190.102 -5.107 2.633 386 2HA GLY 128 1HA GLY 128 189.724 -3.528 1.951 387 H VAL 129 H VAL 129 186.769 -4.849 1.874 388 HA VAL 129 HA VAL 129 185.876 -3.462 4.260 389 HB VAL 129 HB VAL 129 184.621 -3.775 2.079 390 1HG1 VAL 129 1HG1 VAL 129 183.482 -6.354 2.880 391 2HG1 VAL 129 2HG1 VAL 129 185.195 -6.469 2.485 392 3HG1 VAL 129 3HG1 VAL 129 184.060 -5.826 1.302 393 1HG2 VAL 129 1HG2 VAL 129 183.449 -4.460 4.764 394 2HG2 VAL 129 2HG2 VAL 129 182.420 -4.439 3.332 395 3HG2 VAL 129 3HG2 VAL 129 183.277 -2.978 3.824 396 H GLU 130 H GLU 130 185.458 -4.187 6.237 397 HA GLU 130 HA GLU 130 186.127 -7.033 6.909 398 1HB GLU 130 2HB GLU 130 187.380 -5.104 7.901 399 2HB GLU 130 1HB GLU 130 185.871 -4.551 8.630 400 1HG GLU 130 2HG GLU 130 185.668 -6.646 9.877 401 2HG GLU 130 1HG GLU 130 187.123 -7.273 9.102 402 H VAL 131 H VAL 131 184.185 -8.130 6.653 403 HA VAL 131 HA VAL 131 181.655 -7.092 7.770 404 HB VAL 131 HB VAL 131 181.758 -8.375 5.657 405 1HG1 VAL 131 1HG1 VAL 131 183.413 -9.947 5.634 406 2HG1 VAL 131 2HG1 VAL 131 182.152 -11.001 6.271 407 3HG1 VAL 131 3HG1 VAL 131 183.303 -10.240 7.368 408 1HG2 VAL 131 1HG2 VAL 131 180.470 -10.106 7.770 409 2HG2 VAL 131 2HG2 VAL 131 179.938 -9.845 6.109 410 3HG2 VAL 131 3HG2 VAL 131 179.805 -8.545 7.293 411 H ASP 132 H ASP 132 180.510 -8.290 9.489 412 HA ASP 132 HA ASP 132 182.398 -9.315 11.536 413 1HB ASP 132 2HB ASP 132 179.483 -8.481 11.546 414 2HB ASP 132 1HB ASP 132 180.360 -9.009 12.983 415 H SER 133 H SER 133 181.210 -11.029 13.010 416 HA SER 133 HA SER 133 181.026 -13.490 11.504 417 1HB SER 133 2HB SER 133 180.842 -12.564 14.324 418 2HB SER 133 1HB SER 133 180.144 -14.141 13.966 419 HG SER 133 HG SER 133 182.085 -14.903 13.736 420 H ASN 134 H ASN 134 178.653 -11.110 11.846 421 HA ASN 134 HA ASN 134 176.415 -13.100 11.800 422 1HB ASN 134 2HB ASN 134 176.688 -11.034 13.438 423 2HB ASN 134 1HB ASN 134 176.105 -10.121 12.046 424 1HD2 ASN 134 1HD2 ASN 134 173.894 -9.784 12.313 425 2HD2 ASN 134 2HD2 ASN 134 172.787 -10.956 12.842 426 H GLY 135 H GLY 135 178.286 -11.071 9.767 427 1HA GLY 135 2HA GLY 135 178.082 -10.995 7.392 428 2HA GLY 135 1HA GLY 135 176.439 -11.619 7.536 429 H GLU 136 H GLU 136 177.489 -8.932 9.505 430 HA GLU 136 HA GLU 136 175.629 -7.160 7.961 431 1HB GLU 136 2HB GLU 136 176.469 -7.380 10.852 432 2HB GLU 136 1HB GLU 136 175.674 -5.929 10.241 433 1HG GLU 136 2HG GLU 136 173.790 -7.321 9.425 434 2HG GLU 136 1HG GLU 136 174.575 -8.752 10.089 435 H ILE 137 H ILE 137 176.353 -5.263 7.172 436 HA ILE 137 HA ILE 137 179.149 -4.388 7.822 437 HB ILE 137 HB ILE 137 177.667 -4.497 5.168 438 1HG1 ILE 137 2HG1 ILE 137 179.901 -5.865 4.724 439 2HG1 ILE 137 1HG1 ILE 137 179.852 -6.081 6.473 440 1HG2 ILE 137 1HG2 ILE 137 180.353 -3.304 5.908 441 2HG2 ILE 137 2HG2 ILE 137 178.993 -2.491 5.134 442 3HG2 ILE 137 3HG2 ILE 137 179.907 -3.712 4.251 443 1HD1 ILE 137 1HD1 ILE 137 178.100 -7.515 6.357 444 2HD1 ILE 137 2HD1 ILE 137 178.506 -7.651 4.649 445 3HD1 ILE 137 3HD1 ILE 137 177.253 -6.525 5.168 446 H ASP 138 H ASP 138 179.411 -1.975 7.243 447 HA ASP 138 HA ASP 138 177.011 -0.516 8.214 448 1HB ASP 138 2HB ASP 138 179.272 -0.271 9.260 449 2HB ASP 138 1HB ASP 138 179.873 0.388 7.737 450 H TYR 139 H TYR 139 175.675 0.174 6.552 451 HA TYR 139 HA TYR 139 176.419 0.416 3.812 452 1HB TYR 139 2HB TYR 139 174.204 1.365 3.566 453 2HB TYR 139 1HB TYR 139 174.138 0.077 4.763 454 HD1 TYR 139 HD1 TYR 139 173.943 3.700 4.196 455 HD2 TYR 139 HD2 TYR 139 173.829 0.583 7.148 456 HE1 TYR 139 HE1 TYR 139 172.997 5.294 5.843 457 HE2 TYR 139 HE2 TYR 139 172.889 2.177 8.792 458 HH TYR 139 HH TYR 139 173.008 5.412 8.499 459 H LYS 140 H LYS 140 176.560 2.786 6.445 460 HA LYS 140 HA LYS 140 176.802 5.090 4.735 461 1HB LYS 140 2HB LYS 140 177.002 4.384 7.595 462 2HB LYS 140 1HB LYS 140 177.977 5.778 7.131 463 1HG LYS 140 2HG LYS 140 175.655 6.344 5.825 464 2HG LYS 140 1HG LYS 140 175.034 5.481 7.232 465 1HD LYS 140 2HD LYS 140 176.475 6.988 8.671 466 2HD LYS 140 1HD LYS 140 176.795 7.942 7.223 467 1HE LYS 140 2HE LYS 140 174.398 8.391 6.946 468 2HE LYS 140 1HE LYS 140 174.029 7.370 8.350 469 1HZ LYS 140 1HZ LYS 140 175.408 8.780 9.722 470 2HZ LYS 140 2HZ LYS 140 174.215 9.723 8.964 471 3HZ LYS 140 3HZ LYS 140 175.814 9.746 8.389 472 H LYS 141 H LYS 141 179.094 2.865 6.232 473 HA LYS 141 HA LYS 141 181.496 4.370 5.720 474 1HB LYS 141 2HB LYS 141 180.881 1.458 6.260 475 2HB LYS 141 1HB LYS 141 182.527 2.085 6.160 476 1HG LYS 141 2HG LYS 141 180.420 3.211 8.023 477 2HG LYS 141 1HG LYS 141 181.597 1.990 8.506 478 1HD LYS 141 2HD LYS 141 183.385 3.625 7.619 479 2HD LYS 141 1HD LYS 141 182.105 4.838 7.645 480 1HE LYS 141 2HE LYS 141 181.704 4.251 10.075 481 2HE LYS 141 1HE LYS 141 183.168 3.250 10.003 482 1HZ LYS 141 1HZ LYS 141 183.016 6.127 9.270 483 2HZ LYS 141 2HZ LYS 141 184.411 5.158 9.218 484 3HZ LYS 141 3HZ LYS 141 183.680 5.521 10.708 485 H PHE 142 H PHE 142 179.999 1.634 3.941 486 HA PHE 142 HA PHE 142 182.081 1.532 1.970 487 1HB PHE 142 2HB PHE 142 180.499 -0.315 2.613 488 2HB PHE 142 1HB PHE 142 179.208 0.560 1.790 489 HD1 PHE 142 HD1 PHE 142 178.683 -0.460 -0.236 490 HD2 PHE 142 HD2 PHE 142 182.801 -0.137 0.940 491 HE1 PHE 142 HE1 PHE 142 179.382 -1.478 -2.393 492 HE2 PHE 142 HE2 PHE 142 183.499 -1.149 -1.213 493 HZ PHE 142 HZ PHE 142 181.790 -1.819 -2.878 494 H ILE 143 H ILE 143 179.119 3.404 2.227 495 HA ILE 143 HA ILE 143 179.046 4.258 -0.586 496 HB ILE 143 HB ILE 143 177.782 5.156 2.028 497 1HG1 ILE 143 2HG1 ILE 143 177.112 2.925 1.171 498 2HG1 ILE 143 1HG1 ILE 143 175.773 4.069 1.146 499 1HG2 ILE 143 1HG2 ILE 143 177.286 6.132 -0.795 500 2HG2 ILE 143 2HG2 ILE 143 177.815 7.090 0.588 501 3HG2 ILE 143 3HG2 ILE 143 176.182 6.424 0.549 502 1HD1 ILE 143 1HD1 ILE 143 176.925 2.599 -1.046 503 2HD1 ILE 143 2HD1 ILE 143 177.107 4.327 -1.350 504 3HD1 ILE 143 3HD1 ILE 143 175.507 3.648 -1.048 505 H GLU 144 H GLU 144 180.170 5.743 2.485 506 HA GLU 144 HA GLU 144 181.068 8.207 1.348 507 1HB GLU 144 2HB GLU 144 181.955 6.533 3.714 508 2HB GLU 144 1HB GLU 144 182.570 8.158 3.411 509 1HG GLU 144 2HG GLU 144 180.316 9.082 3.532 510 2HG GLU 144 1HG GLU 144 179.633 7.466 3.712 511 H ASP 145 H ASP 145 182.507 4.989 1.353 512 HA ASP 145 HA ASP 145 185.088 6.026 0.354 513 1HB ASP 145 2HB ASP 145 184.967 4.148 1.987 514 2HB ASP 145 1HB ASP 145 184.057 3.200 0.809 515 H VAL 146 H VAL 146 182.089 5.092 -0.997 516 HA VAL 146 HA VAL 146 183.310 4.349 -3.614 517 HB VAL 146 HB VAL 146 180.492 4.361 -2.466 518 1HG1 VAL 146 1HG1 VAL 146 179.985 4.721 -4.706 519 2HG1 VAL 146 2HG1 VAL 146 180.151 2.966 -4.706 520 3HG1 VAL 146 3HG1 VAL 146 181.480 3.977 -5.271 521 1HG2 VAL 146 1HG2 VAL 146 181.943 1.968 -3.541 522 2HG2 VAL 146 2HG2 VAL 146 180.726 2.058 -2.267 523 3HG2 VAL 146 3HG2 VAL 146 182.380 2.580 -1.946 524 H LEU 147 H LEU 147 181.241 6.736 -2.042 525 HA LEU 147 HA LEU 147 180.610 8.473 -4.214 526 1HB LEU 147 2HB LEU 147 180.746 8.520 -1.273 527 2HB LEU 147 1HB LEU 147 180.966 10.105 -2.015 528 HG LEU 147 HG LEU 147 178.888 9.733 -3.344 529 1HD1 LEU 147 1HD1 LEU 147 178.248 7.571 -3.560 530 2HD1 LEU 147 2HD1 LEU 147 177.551 7.739 -1.950 531 3HD1 LEU 147 3HD1 LEU 147 179.169 7.068 -2.143 532 1HD2 LEU 147 1HD2 LEU 147 177.375 9.622 -1.154 533 2HD2 LEU 147 2HD2 LEU 147 178.406 11.017 -1.474 534 3HD2 LEU 147 3HD2 LEU 147 178.938 9.767 -0.350 535 H ARG 148 H ARG 148 183.675 7.967 -2.633 536 HA ARG 148 HA ARG 148 184.962 10.455 -3.119 537 1HB ARG 148 2HB ARG 148 185.829 7.575 -2.926 538 2HB ARG 148 1HB ARG 148 187.013 8.840 -3.258 539 1HG ARG 148 2HG ARG 148 186.311 10.036 -1.217 540 2HG ARG 148 1HG ARG 148 185.131 8.769 -0.881 541 1HD ARG 148 2HD ARG 148 186.788 7.178 -0.375 542 2HD ARG 148 1HD ARG 148 188.041 8.066 -1.264 543 HE ARG 148 HE ARG 148 186.895 9.599 0.946 544 1HH1 ARG 148 1HH2 ARG 148 189.780 9.091 -0.374 545 2HH1 ARG 148 2HH2 ARG 148 190.634 8.638 1.063 546 1HH2 ARG 148 2HH1 ARG 148 187.761 8.233 2.961 547 2HH2 ARG 148 1HH1 ARG 148 189.491 8.152 2.951 548 H GLN 149 HN GLN 149 184.544 7.615 -5.234 549 HA GLN 149 HA GLN 149 185.129 9.331 -7.597 550 1HB GLN 149 2HB GLN 149 187.231 8.229 -6.743 551 2HB GLN 149 1HB GLN 149 186.472 6.666 -7.046 552 1HG GLN 149 2HG GLN 149 186.220 7.231 -9.427 553 2HG GLN 149 1HG GLN 149 186.948 8.811 -9.136 554 1HE2 GLN 149 1HE2 GLN 149 188.097 6.851 -10.942 555 2HE2 GLN 149 2HE2 GLN 149 189.594 6.375 -10.299 Start of MODEL 2 1 1H LYS 80 H LYS 80 176.969 15.980 -10.734 2 HA LYS 80 HA LYS 80 177.532 15.793 -8.186 3 1HB LYS 80 2HB LYS 80 177.372 17.921 -9.553 4 2HB LYS 80 1HB LYS 80 175.682 18.029 -9.061 5 1HG LYS 80 2HG LYS 80 176.341 18.097 -6.703 6 2HG LYS 80 1HG LYS 80 178.037 17.914 -7.154 7 1HD LYS 80 2HD LYS 80 177.695 20.035 -8.584 8 2HD LYS 80 1HD LYS 80 176.212 20.265 -7.656 9 1HE LYS 80 2HE LYS 80 178.607 19.657 -6.018 10 2HE LYS 80 1HE LYS 80 178.637 21.225 -6.851 11 1HZ LYS 80 1HZ LYS 80 176.373 20.183 -5.229 12 2HZ LYS 80 2HZ LYS 80 176.424 21.686 -6.021 13 3HZ LYS 80 3HZ LYS 80 177.471 21.371 -4.721 14 H ALA 81 H ALA 81 176.451 14.222 -6.994 15 HA ALA 81 HA ALA 81 173.556 14.659 -6.315 16 1HB ALA 81 1HB ALA 81 175.061 12.169 -5.674 17 2HB ALA 81 2HB ALA 81 174.763 12.508 -7.379 18 3HB ALA 81 3HB ALA 81 173.409 12.364 -6.259 19 H LYS 82 H LYS 82 172.967 14.463 -4.046 20 HA LYS 82 HA LYS 82 175.190 15.181 -2.173 21 1HB LYS 82 2HB LYS 82 172.173 15.466 -2.159 22 2HB LYS 82 1HB LYS 82 173.190 15.900 -0.786 23 1HG LYS 82 2HG LYS 82 174.415 17.511 -2.166 24 2HG LYS 82 1HG LYS 82 173.464 17.049 -3.579 25 1HD LYS 82 2HD LYS 82 171.428 17.868 -2.558 26 2HD LYS 82 1HD LYS 82 172.258 18.162 -1.031 27 1HE LYS 82 2HE LYS 82 173.684 19.534 -3.134 28 2HE LYS 82 1HE LYS 82 171.967 19.977 -3.203 29 1HZ LYS 82 1HZ LYS 82 173.702 20.009 -0.788 30 2HZ LYS 82 2HZ LYS 82 172.029 20.310 -0.782 31 3HZ LYS 82 3HZ LYS 82 173.082 21.365 -1.597 32 H THR 83 H THR 83 175.175 14.267 -0.077 33 HA THR 83 HA THR 83 175.185 11.450 0.106 34 HB THR 83 HB THR 83 174.489 13.270 2.423 35 HG1 THR 83 HG1 THR 83 176.216 14.352 2.003 36 1HG2 THR 83 1HG2 THR 83 175.018 10.609 2.362 37 2HG2 THR 83 2HG2 THR 83 175.409 11.644 3.735 38 3HG2 THR 83 3HG2 THR 83 176.651 11.248 2.549 39 H GLU 84 H GLU 84 172.559 13.720 0.555 40 HA GLU 84 HA GLU 84 170.563 12.225 1.836 41 1HB GLU 84 2HB GLU 84 170.502 14.206 -0.464 42 2HB GLU 84 1HB GLU 84 169.043 13.677 0.387 43 1HG GLU 84 2HG GLU 84 169.958 14.499 2.514 44 2HG GLU 84 1HG GLU 84 171.445 14.985 1.701 45 H ASP 85 H ASP 85 171.542 12.107 -1.580 46 HA ASP 85 HA ASP 85 169.418 10.479 -2.578 47 1HB ASP 85 2HB ASP 85 171.088 11.719 -3.934 48 2HB ASP 85 1HB ASP 85 172.345 10.611 -3.384 49 H PHE 86 H PHE 86 172.652 9.553 -1.385 50 HA PHE 86 HA PHE 86 172.121 6.688 -1.504 51 1HB PHE 86 2HB PHE 86 174.282 8.566 -0.781 52 2HB PHE 86 1HB PHE 86 174.295 7.064 0.144 53 HD1 PHE 86 HD1 PHE 86 175.698 8.497 -2.638 54 HD2 PHE 86 HD2 PHE 86 173.525 4.964 -1.526 55 HE1 PHE 86 HE1 PHE 86 176.648 7.299 -4.590 56 HE2 PHE 86 HE2 PHE 86 174.478 3.763 -3.475 57 HZ PHE 86 HZ PHE 86 176.036 4.929 -5.010 58 H VAL 87 H VAL 87 172.168 9.128 1.121 59 HA VAL 87 HA VAL 87 171.888 7.342 3.297 60 HB VAL 87 HB VAL 87 170.900 10.185 2.896 61 1HG1 VAL 87 1HG1 VAL 87 171.082 8.407 5.304 62 2HG1 VAL 87 2HG1 VAL 87 169.846 9.593 4.883 63 3HG1 VAL 87 3HG1 VAL 87 171.412 10.130 5.493 64 1HG2 VAL 87 1HG2 VAL 87 173.457 9.291 2.705 65 2HG2 VAL 87 2HG2 VAL 87 173.354 9.547 4.447 66 3HG2 VAL 87 3HG2 VAL 87 173.038 10.883 3.339 67 H LYS 88 H LYS 88 169.359 9.148 1.501 68 HA LYS 88 HA LYS 88 167.080 8.164 2.889 69 1HB LYS 88 2HB LYS 88 167.676 9.304 0.179 70 2HB LYS 88 1HB LYS 88 166.060 8.676 0.497 71 1HG LYS 88 2HG LYS 88 167.295 10.501 2.523 72 2HG LYS 88 1HG LYS 88 166.663 11.207 1.035 73 1HD LYS 88 2HD LYS 88 164.515 9.912 1.475 74 2HD LYS 88 1HD LYS 88 165.160 9.557 3.078 75 1HE LYS 88 2HE LYS 88 165.515 12.125 3.284 76 2HE LYS 88 1HE LYS 88 164.382 12.236 1.921 77 1HZ LYS 88 1HZ LYS 88 163.918 10.824 4.495 78 2HZ LYS 88 2HZ LYS 88 162.864 10.773 3.163 79 3HZ LYS 88 3HZ LYS 88 163.145 12.240 3.972 80 H ALA 89 H ALA 89 168.913 6.789 0.202 81 HA ALA 89 HA ALA 89 167.079 4.753 -0.605 82 1HB ALA 89 1HB ALA 89 169.996 4.203 -0.666 83 2HB ALA 89 2HB ALA 89 169.477 5.708 -1.426 84 3HB ALA 89 3HB ALA 89 168.818 4.168 -1.979 85 H PHE 90 H PHE 90 169.872 4.472 1.661 86 HA PHE 90 HA PHE 90 169.171 1.740 2.359 87 1HB PHE 90 2HB PHE 90 171.129 3.833 3.285 88 2HB PHE 90 1HB PHE 90 170.979 2.306 4.155 89 HD1 PHE 90 HD1 PHE 90 171.971 3.897 0.982 90 HD2 PHE 90 HD2 PHE 90 171.604 0.190 3.121 91 HE1 PHE 90 HE1 PHE 90 173.382 2.774 -0.721 92 HE2 PHE 90 HE2 PHE 90 173.012 -0.930 1.422 93 HZ PHE 90 HZ PHE 90 173.903 0.359 -0.502 94 H GLN 91 H GLN 91 169.203 4.764 4.286 95 HA GLN 91 HA GLN 91 168.187 3.860 6.682 96 1HB GLN 91 2HB GLN 91 167.817 6.409 5.128 97 2HB GLN 91 1HB GLN 91 167.110 6.232 6.734 98 1HG GLN 91 2HG GLN 91 169.430 5.503 7.523 99 2HG GLN 91 1HG GLN 91 170.031 6.081 5.969 100 1HE2 GLN 91 1HE2 GLN 91 170.114 7.127 8.969 101 2HE2 GLN 91 2HE2 GLN 91 169.767 8.778 8.782 102 H VAL 92 H VAL 92 166.146 4.512 3.787 103 HA VAL 92 HA VAL 92 163.654 4.351 5.150 104 HB VAL 92 HB VAL 92 164.469 3.586 2.319 105 1HG1 VAL 92 1HG1 VAL 92 162.362 2.599 2.459 106 2HG1 VAL 92 2HG1 VAL 92 161.927 4.239 1.980 107 3HG1 VAL 92 3HG1 VAL 92 161.791 3.749 3.668 108 1HG2 VAL 92 1HG2 VAL 92 162.976 6.067 3.106 109 2HG2 VAL 92 2HG2 VAL 92 164.068 5.806 1.746 110 3HG2 VAL 92 3HG2 VAL 92 164.718 6.000 3.373 111 H PHE 93 H PHE 93 165.906 1.899 4.081 112 HA PHE 93 HA PHE 93 164.065 -0.347 4.715 113 1HB PHE 93 2HB PHE 93 165.760 -0.112 2.740 114 2HB PHE 93 1HB PHE 93 166.977 -0.529 3.947 115 HD1 PHE 93 HD1 PHE 93 167.041 -2.740 4.968 116 HD2 PHE 93 HD2 PHE 93 164.017 -1.716 2.095 117 HE1 PHE 93 HE1 PHE 93 166.439 -5.135 4.749 118 HE2 PHE 93 HE2 PHE 93 163.414 -4.112 1.877 119 HZ PHE 93 HZ PHE 93 164.624 -5.822 3.203 120 H ASP 94 H ASP 94 165.298 1.619 6.778 121 HA ASP 94 HA ASP 94 166.411 -0.473 8.616 122 1HB ASP 94 2HB ASP 94 168.058 1.222 7.498 123 2HB ASP 94 1HB ASP 94 167.310 2.411 8.567 124 H LYS 95 H LYS 95 164.089 -0.496 9.253 125 HA LYS 95 HA LYS 95 162.705 1.771 10.301 126 1HB LYS 95 2HB LYS 95 162.531 -1.195 10.908 127 2HB LYS 95 1HB LYS 95 161.312 -0.012 11.382 128 1HG LYS 95 2HG LYS 95 162.210 -0.412 8.518 129 2HG LYS 95 1HG LYS 95 160.812 -1.229 9.218 130 1HD LYS 95 2HD LYS 95 159.849 0.997 9.802 131 2HD LYS 95 1HD LYS 95 161.208 1.768 8.983 132 1HE LYS 95 2HE LYS 95 160.488 0.233 6.957 133 2HE LYS 95 1HE LYS 95 158.924 0.217 7.797 134 1HZ LYS 95 1HZ LYS 95 159.100 2.662 7.974 135 2HZ LYS 95 2HZ LYS 95 158.997 2.125 6.366 136 3HZ LYS 95 3HZ LYS 95 160.492 2.615 7.007 137 H GLU 96 H GLU 96 164.694 -0.714 12.041 138 HA GLU 96 HA GLU 96 164.350 0.758 14.568 139 1HB GLU 96 2HB GLU 96 165.783 -1.762 13.691 140 2HB GLU 96 1HB GLU 96 165.793 -1.181 15.357 141 1HG GLU 96 2HG GLU 96 163.268 -1.734 13.775 142 2HG GLU 96 1HG GLU 96 164.000 -2.881 14.898 143 H SER 97 H SER 97 166.076 1.738 12.092 144 HA SER 97 HA SER 97 168.172 2.699 11.712 145 1HB SER 97 2HB SER 97 166.610 4.008 13.382 146 2HB SER 97 1HB SER 97 167.903 3.668 14.528 147 HG SER 97 HG SER 97 168.686 5.426 13.619 148 H THR 98 H THR 98 168.695 -0.021 12.724 149 HA THR 98 HA THR 98 170.558 0.023 14.910 150 HB THR 98 HB THR 98 169.510 -2.031 14.124 151 HG1 THR 98 HG1 THR 98 171.401 -2.554 14.987 152 1HG2 THR 98 1HG2 THR 98 169.414 -2.693 11.963 153 2HG2 THR 98 2HG2 THR 98 171.117 -2.342 11.687 154 3HG2 THR 98 3HG2 THR 98 169.924 -1.051 11.579 155 H GLY 99 H GLY 99 170.960 0.575 11.439 156 1HA GLY 99 2HA GLY 99 172.677 2.009 10.541 157 2HA GLY 99 1HA GLY 99 173.615 1.761 12.008 158 H LYS 100 H LYS 100 172.343 -1.163 10.690 159 HA LYS 100 HA LYS 100 174.939 -1.686 9.291 160 1HB LYS 100 2HB LYS 100 173.438 -3.393 11.297 161 2HB LYS 100 1HB LYS 100 174.853 -3.937 10.394 162 1HG LYS 100 2HG LYS 100 176.060 -1.884 11.333 163 2HG LYS 100 1HG LYS 100 174.696 -1.719 12.440 164 1HD LYS 100 2HD LYS 100 175.077 -4.035 13.237 165 2HD LYS 100 1HD LYS 100 176.468 -4.161 12.159 166 1HE LYS 100 2HE LYS 100 177.800 -2.948 13.559 167 2HE LYS 100 1HE LYS 100 176.513 -1.776 13.908 168 1HZ LYS 100 1HZ LYS 100 175.480 -3.281 15.392 169 2HZ LYS 100 2HZ LYS 100 177.125 -3.266 15.814 170 3HZ LYS 100 3HZ LYS 100 176.485 -4.563 14.923 171 H VAL 101 H VAL 101 174.774 -3.316 7.583 172 HA VAL 101 HA VAL 101 172.096 -4.398 6.955 173 HB VAL 101 HB VAL 101 172.208 -3.397 4.648 174 1HG1 VAL 101 1HG1 VAL 101 171.038 -2.296 6.637 175 2HG1 VAL 101 2HG1 VAL 101 171.458 -1.225 5.300 176 3HG1 VAL 101 3HG1 VAL 101 172.448 -1.243 6.760 177 1HG2 VAL 101 1HG2 VAL 101 174.741 -3.124 4.753 178 2HG2 VAL 101 2HG2 VAL 101 174.461 -1.706 5.766 179 3HG2 VAL 101 3HG2 VAL 101 173.858 -1.739 4.109 180 H SER 102 H SER 102 172.223 -6.047 5.216 181 HA SER 102 HA SER 102 174.750 -7.570 5.308 182 1HB SER 102 2HB SER 102 173.260 -9.121 3.905 183 2HB SER 102 1HB SER 102 172.712 -8.781 5.542 184 HG SER 102 HG SER 102 170.956 -8.322 4.396 185 H VAL 103 H VAL 103 176.066 -7.973 3.438 186 HA VAL 103 HA VAL 103 176.203 -5.901 1.460 187 HB VAL 103 HB VAL 103 177.901 -7.345 0.440 188 1HG1 VAL 103 1HG1 VAL 103 179.383 -7.500 2.316 189 2HG1 VAL 103 2HG1 VAL 103 178.036 -7.668 3.441 190 3HG1 VAL 103 3HG1 VAL 103 178.317 -6.128 2.629 191 1HG2 VAL 103 1HG2 VAL 103 176.600 -9.483 0.674 192 2HG2 VAL 103 2HG2 VAL 103 177.000 -9.484 2.392 193 3HG2 VAL 103 3HG2 VAL 103 178.284 -9.614 1.186 194 H GLY 104 H GLY 104 174.575 -9.091 1.433 195 1HA GLY 104 2HA GLY 104 174.016 -9.189 -1.353 196 2HA GLY 104 1HA GLY 104 173.064 -9.985 -0.099 197 H ASP 105 H ASP 105 172.232 -7.716 1.350 198 HA ASP 105 HA ASP 105 170.052 -6.755 -0.359 199 1HB ASP 105 2HB ASP 105 169.928 -7.408 2.093 200 2HB ASP 105 1HB ASP 105 170.846 -5.946 2.456 201 H LEU 106 H LEU 106 172.907 -5.391 1.241 202 HA LEU 106 HA LEU 106 172.534 -2.646 0.561 203 1HB LEU 106 2HB LEU 106 174.171 -3.484 2.191 204 2HB LEU 106 1HB LEU 106 175.042 -4.330 0.914 205 HG LEU 106 HG LEU 106 174.629 -1.446 0.406 206 1HD1 LEU 106 1HD1 LEU 106 176.088 -2.459 2.828 207 2HD1 LEU 106 2HD1 LEU 106 175.093 -1.013 2.650 208 3HD1 LEU 106 3HD1 LEU 106 176.717 -1.057 1.964 209 1HD2 LEU 106 1HD2 LEU 106 177.229 -1.830 0.072 210 2HD2 LEU 106 2HD2 LEU 106 176.077 -2.458 -1.108 211 3HD2 LEU 106 3HD2 LEU 106 176.766 -3.532 0.111 212 H ARG 107 H ARG 107 174.369 -5.214 -1.128 213 HA ARG 107 HA ARG 107 175.153 -3.637 -3.378 214 1HB ARG 107 2HB ARG 107 176.148 -5.802 -2.685 215 2HB ARG 107 1HB ARG 107 174.648 -6.623 -3.115 216 1HG ARG 107 2HG ARG 107 175.177 -5.253 -5.427 217 2HG ARG 107 1HG ARG 107 176.810 -5.607 -4.860 218 1HD ARG 107 2HD ARG 107 175.692 -8.028 -4.437 219 2HD ARG 107 1HD ARG 107 174.693 -7.482 -5.798 220 HE ARG 107 HE ARG 107 177.579 -7.020 -6.127 221 1HH1 ARG 107 2HH1 ARG 107 175.795 -9.826 -5.958 222 2HH1 ARG 107 1HH1 ARG 107 176.089 -10.337 -7.588 223 1HH2 ARG 107 1HH2 ARG 107 177.566 -7.348 -8.540 224 2HH2 ARG 107 2HH2 ARG 107 177.091 -8.934 -9.048 225 H TYR 108 H TYR 108 172.203 -5.472 -2.696 226 HA TYR 108 HA TYR 108 171.169 -5.449 -5.386 227 1HB TYR 108 2HB TYR 108 170.421 -6.923 -3.497 228 2HB TYR 108 1HB TYR 108 169.698 -5.511 -2.726 229 HD1 TYR 108 HD1 TYR 108 169.467 -7.874 -5.539 230 HD2 TYR 108 HD2 TYR 108 167.710 -4.434 -3.658 231 HE1 TYR 108 HE1 TYR 108 167.426 -8.162 -6.918 232 HE2 TYR 108 HE2 TYR 108 165.669 -4.724 -5.037 233 HH TYR 108 HH TYR 108 165.060 -7.557 -6.846 234 H MET 109 H MET 109 170.503 -3.282 -2.592 235 HA MET 109 HA MET 109 168.787 -1.561 -4.103 236 1HB MET 109 2HB MET 109 170.131 -1.646 -1.475 237 2HB MET 109 1HB MET 109 169.736 -0.025 -2.044 238 1HG MET 109 2HG MET 109 167.487 -1.712 -2.590 239 2HG MET 109 1HG MET 109 167.991 -2.002 -0.929 240 1HE MET 109 1HE MET 109 168.577 1.810 -2.544 241 2HE MET 109 2HE MET 109 166.874 1.888 -2.989 242 3HE MET 109 3HE MET 109 167.865 0.550 -3.562 243 H LEU 110 H LEU 110 172.279 -1.540 -3.377 244 HA LEU 110 HA LEU 110 173.001 1.034 -4.229 245 1HB LEU 110 2HB LEU 110 174.461 -0.663 -3.169 246 2HB LEU 110 1HB LEU 110 174.377 -1.652 -4.624 247 HG LEU 110 HG LEU 110 175.330 0.392 -5.858 248 1HD1 LEU 110 1HD1 LEU 110 174.850 1.810 -3.698 249 2HD1 LEU 110 2HD1 LEU 110 176.319 2.122 -4.621 250 3HD1 LEU 110 3HD1 LEU 110 176.393 1.154 -3.147 251 1HD2 LEU 110 1HD2 LEU 110 176.581 -1.709 -5.245 252 2HD2 LEU 110 2HD2 LEU 110 177.100 -0.900 -3.766 253 3HD2 LEU 110 3HD2 LEU 110 177.598 -0.271 -5.337 254 H THR 111 H THR 111 172.594 -1.935 -6.186 255 HA THR 111 HA THR 111 173.272 -0.757 -8.713 256 HB THR 111 HB THR 111 171.424 -3.081 -8.112 257 HG1 THR 111 HG1 THR 111 173.249 -4.286 -7.924 258 1HG2 THR 111 1HG2 THR 111 172.562 -3.911 -10.267 259 2HG2 THR 111 2HG2 THR 111 173.080 -2.240 -10.490 260 3HG2 THR 111 3HG2 THR 111 171.361 -2.631 -10.437 261 H GLY 112 H GLY 112 170.427 -0.543 -6.759 262 1HA GLY 112 2HA GLY 112 168.631 0.181 -8.977 263 2HA GLY 112 1HA GLY 112 168.196 0.099 -7.273 264 H LEU 113 H LEU 113 170.881 1.754 -6.928 265 HA LEU 113 HA LEU 113 169.489 4.351 -6.935 266 1HB LEU 113 2HB LEU 113 171.100 2.947 -5.197 267 2HB LEU 113 1HB LEU 113 172.234 4.105 -5.894 268 HG LEU 113 HG LEU 113 169.526 4.909 -4.805 269 1HD1 LEU 113 1HD1 LEU 113 170.922 5.737 -2.834 270 2HD1 LEU 113 2HD1 LEU 113 172.217 4.711 -3.447 271 3HD1 LEU 113 3HD1 LEU 113 170.695 3.991 -2.932 272 1HD2 LEU 113 1HD2 LEU 113 172.068 6.403 -5.513 273 2HD2 LEU 113 2HD2 LEU 113 170.686 7.137 -4.699 274 3HD2 LEU 113 3HD2 LEU 113 170.513 6.510 -6.340 275 H GLY 114 H GLY 114 171.241 2.861 -9.315 276 1HA GLY 114 2HA GLY 114 172.017 4.123 -11.262 277 2HA GLY 114 1HA GLY 114 172.485 5.435 -10.176 278 H GLU 115 H GLU 115 173.095 2.093 -9.506 279 HA GLU 115 HA GLU 115 176.063 2.554 -9.795 280 1HB GLU 115 2HB GLU 115 174.585 0.666 -7.950 281 2HB GLU 115 1HB GLU 115 176.316 0.967 -7.966 282 1HG GLU 115 2HG GLU 115 174.333 3.211 -7.536 283 2HG GLU 115 1HG GLU 115 174.955 2.256 -6.196 284 H LYS 116 H LYS 116 176.930 1.363 -11.470 285 HA LYS 116 HA LYS 116 175.666 -1.266 -12.069 286 1HB LYS 116 2HB LYS 116 176.727 0.875 -13.951 287 2HB LYS 116 1HB LYS 116 176.355 -0.763 -14.491 288 1HG LYS 116 2HG LYS 116 174.028 -0.497 -13.714 289 2HG LYS 116 1HG LYS 116 174.396 1.143 -13.178 290 1HD LYS 116 2HD LYS 116 174.975 1.774 -15.493 291 2HD LYS 116 1HD LYS 116 174.604 0.136 -16.032 292 1HE LYS 116 2HE LYS 116 172.264 0.486 -15.039 293 2HE LYS 116 1HE LYS 116 172.687 2.205 -14.929 294 1HZ LYS 116 1HZ LYS 116 173.003 0.593 -17.401 295 2HZ LYS 116 2HZ LYS 116 173.164 2.277 -17.241 296 3HZ LYS 116 3HZ LYS 116 171.638 1.548 -17.081 297 H LEU 117 H LEU 117 177.421 -1.578 -10.316 298 HA LEU 117 HA LEU 117 180.141 -1.930 -11.442 299 1HB LEU 117 2HB LEU 117 178.915 -2.409 -8.697 300 2HB LEU 117 1HB LEU 117 180.636 -2.501 -9.074 301 HG LEU 117 HG LEU 117 178.973 -0.017 -9.547 302 1HD1 LEU 117 1HD1 LEU 117 180.934 -0.330 -7.290 303 2HD1 LEU 117 2HD1 LEU 117 179.273 -0.886 -7.086 304 3HD1 LEU 117 3HD1 LEU 117 179.596 0.809 -7.451 305 1HD2 LEU 117 1HD2 LEU 117 180.924 0.084 -10.874 306 2HD2 LEU 117 2HD2 LEU 117 181.905 -0.723 -9.651 307 3HD2 LEU 117 3HD2 LEU 117 181.385 0.944 -9.405 308 H THR 118 H THR 118 181.051 -4.088 -11.610 309 HA THR 118 HA THR 118 179.000 -6.276 -11.639 310 HB THR 118 HB THR 118 181.654 -6.213 -13.064 311 HG1 THR 118 HG1 THR 118 180.845 -4.649 -14.189 312 1HG2 THR 118 1HG2 THR 118 179.110 -7.790 -13.238 313 2HG2 THR 118 2HG2 THR 118 180.777 -8.366 -13.217 314 3HG2 THR 118 3HG2 THR 118 180.122 -7.612 -14.671 315 H ASP 119 H ASP 119 179.497 -8.223 -10.476 316 HA ASP 119 HA ASP 119 180.879 -8.314 -8.152 317 1HB ASP 119 2HB ASP 119 179.487 -10.085 -9.313 318 2HB ASP 119 1HB ASP 119 180.954 -10.571 -10.164 319 H ALA 120 H ALA 120 182.446 -8.505 -11.314 320 HA ALA 120 HA ALA 120 185.065 -9.404 -10.502 321 1HB ALA 120 1HB ALA 120 184.350 -7.395 -12.656 322 2HB ALA 120 2HB ALA 120 184.063 -9.125 -12.835 323 3HB ALA 120 3HB ALA 120 185.709 -8.519 -12.644 324 H GLU 121 H GLU 121 183.794 -6.098 -11.047 325 HA GLU 121 HA GLU 121 186.100 -4.805 -9.809 326 1HB GLU 121 2HB GLU 121 183.357 -3.917 -10.746 327 2HB GLU 121 1HB GLU 121 184.564 -2.797 -10.120 328 1HG GLU 121 2HG GLU 121 186.139 -3.454 -11.868 329 2HG GLU 121 1HG GLU 121 185.005 -4.666 -12.464 330 H VAL 122 H VAL 122 182.748 -5.521 -8.849 331 HA VAL 122 HA VAL 122 182.759 -4.143 -6.319 332 HB VAL 122 HB VAL 122 181.224 -6.591 -7.253 333 1HG1 VAL 122 1HG1 VAL 122 179.529 -5.796 -5.599 334 2HG1 VAL 122 2HG1 VAL 122 180.674 -4.568 -5.056 335 3HG1 VAL 122 3HG1 VAL 122 181.043 -6.280 -4.836 336 1HG2 VAL 122 1HG2 VAL 122 180.229 -3.747 -7.268 337 2HG2 VAL 122 2HG2 VAL 122 179.633 -5.129 -8.186 338 3HG2 VAL 122 3HG2 VAL 122 181.162 -4.370 -8.627 339 H ASP 123 H ASP 123 183.778 -7.455 -7.210 340 HA ASP 123 HA ASP 123 184.059 -8.458 -4.552 341 1HB ASP 123 2HB ASP 123 184.157 -9.831 -6.613 342 2HB ASP 123 1HB ASP 123 185.669 -9.045 -7.071 343 H GLU 124 H GLU 124 186.260 -6.609 -6.620 344 HA GLU 124 HA GLU 124 188.605 -6.592 -4.998 345 1HB GLU 124 2HB GLU 124 187.354 -4.472 -6.776 346 2HB GLU 124 1HB GLU 124 189.016 -4.417 -6.188 347 1HG GLU 124 2HG GLU 124 188.003 -6.849 -7.644 348 2HG GLU 124 1HG GLU 124 188.560 -5.439 -8.546 349 H LEU 125 H LEU 125 185.750 -4.446 -4.945 350 HA LEU 125 HA LEU 125 186.577 -2.672 -2.874 351 1HB LEU 125 2HB LEU 125 183.885 -3.698 -3.810 352 2HB LEU 125 1HB LEU 125 184.064 -2.370 -2.666 353 HG LEU 125 HG LEU 125 185.323 -2.421 -5.421 354 1HD1 LEU 125 1HD1 LEU 125 183.572 -0.930 -6.128 355 2HD1 LEU 125 2HD1 LEU 125 182.930 -0.816 -4.490 356 3HD1 LEU 125 3HD1 LEU 125 182.789 -2.326 -5.390 357 1HD2 LEU 125 1HD2 LEU 125 185.153 -0.399 -3.184 358 2HD2 LEU 125 2HD2 LEU 125 185.447 0.100 -4.850 359 3HD2 LEU 125 3HD2 LEU 125 186.587 -0.971 -4.036 360 H LEU 126 H LEU 126 184.559 -5.618 -2.733 361 HA LEU 126 HA LEU 126 184.249 -5.724 0.132 362 1HB LEU 126 2HB LEU 126 184.040 -7.720 -2.127 363 2HB LEU 126 1HB LEU 126 183.621 -8.118 -0.460 364 HG LEU 126 HG LEU 126 182.448 -5.619 -1.576 365 1HD1 LEU 126 1HD1 LEU 126 180.808 -6.697 -2.891 366 2HD1 LEU 126 2HD1 LEU 126 181.203 -8.286 -2.234 367 3HD1 LEU 126 3HD1 LEU 126 182.313 -7.493 -3.353 368 1HD2 LEU 126 1HD2 LEU 126 180.916 -5.952 0.085 369 2HD2 LEU 126 2HD2 LEU 126 182.139 -7.040 0.741 370 3HD2 LEU 126 3HD2 LEU 126 180.807 -7.689 -0.220 371 H LYS 127 H LYS 127 186.801 -6.733 -2.039 372 HA LYS 127 HA LYS 127 188.028 -8.828 -0.641 373 1HB LYS 127 2HB LYS 127 188.540 -7.880 -2.914 374 2HB LYS 127 1HB LYS 127 189.404 -6.568 -2.112 375 1HG LYS 127 2HG LYS 127 190.907 -8.195 -1.039 376 2HG LYS 127 1HG LYS 127 190.035 -9.520 -1.813 377 1HD LYS 127 2HD LYS 127 190.602 -8.508 -4.040 378 2HD LYS 127 1HD LYS 127 191.605 -7.328 -3.197 379 1HE LYS 127 2HE LYS 127 193.262 -8.854 -2.776 380 2HE LYS 127 1HE LYS 127 192.106 -10.168 -2.478 381 1HZ LYS 127 1HZ LYS 127 191.698 -10.394 -4.786 382 2HZ LYS 127 2HZ LYS 127 193.387 -10.358 -4.610 383 3HZ LYS 127 3HZ LYS 127 192.559 -8.981 -5.160 384 H GLY 128 H GLY 128 187.897 -5.426 0.227 385 1HA GLY 128 2HA GLY 128 189.943 -5.925 2.348 386 2HA GLY 128 1HA GLY 128 189.723 -4.358 1.577 387 H VAL 129 H VAL 129 186.623 -5.111 1.766 388 HA VAL 129 HA VAL 129 186.153 -3.526 4.135 389 HB VAL 129 HB VAL 129 184.687 -3.827 2.049 390 1HG1 VAL 129 1HG1 VAL 129 183.516 -6.184 3.517 391 2HG1 VAL 129 2HG1 VAL 129 184.791 -6.415 2.325 392 3HG1 VAL 129 3HG1 VAL 129 183.259 -5.688 1.845 393 1HG2 VAL 129 1HG2 VAL 129 182.590 -3.580 3.353 394 2HG2 VAL 129 2HG2 VAL 129 183.908 -2.634 4.043 395 3HG2 VAL 129 3HG2 VAL 129 183.434 -4.159 4.789 396 H GLU 130 H GLU 130 186.053 -4.072 6.179 397 HA GLU 130 HA GLU 130 186.482 -6.867 7.034 398 1HB GLU 130 2HB GLU 130 187.688 -4.893 7.960 399 2HB GLU 130 1HB GLU 130 186.155 -4.273 8.571 400 1HG GLU 130 2HG GLU 130 185.870 -6.310 9.938 401 2HG GLU 130 1HG GLU 130 187.406 -6.930 9.331 402 H VAL 131 H VAL 131 184.567 -8.008 6.773 403 HA VAL 131 HA VAL 131 181.991 -6.956 7.758 404 HB VAL 131 HB VAL 131 182.177 -8.342 5.718 405 1HG1 VAL 131 1HG1 VAL 131 182.597 -10.914 6.400 406 2HG1 VAL 131 2HG1 VAL 131 183.639 -10.140 7.592 407 3HG1 VAL 131 3HG1 VAL 131 183.900 -9.852 5.873 408 1HG2 VAL 131 1HG2 VAL 131 180.276 -8.544 7.592 409 2HG2 VAL 131 2HG2 VAL 131 180.868 -10.203 7.639 410 3HG2 VAL 131 3HG2 VAL 131 180.253 -9.529 6.130 411 H ASP 132 H ASP 132 180.817 -8.046 9.513 412 HA ASP 132 HA ASP 132 182.651 -8.981 11.652 413 1HB ASP 132 2HB ASP 132 179.793 -8.000 11.503 414 2HB ASP 132 1HB ASP 132 180.508 -8.609 12.997 415 H SER 133 H SER 133 181.241 -10.549 13.201 416 HA SER 133 HA SER 133 181.094 -13.101 11.845 417 1HB SER 133 2HB SER 133 180.277 -12.161 14.609 418 2HB SER 133 1HB SER 133 180.385 -13.850 14.127 419 HG SER 133 HG SER 133 182.556 -13.630 13.854 420 H ASN 134 H ASN 134 178.807 -10.628 11.817 421 HA ASN 134 HA ASN 134 176.487 -12.520 11.758 422 1HB ASN 134 2HB ASN 134 176.724 -10.344 13.234 423 2HB ASN 134 1HB ASN 134 176.333 -9.516 11.725 424 1HD2 ASN 134 1HD2 ASN 134 174.825 -10.511 14.440 425 2HD2 ASN 134 2HD2 ASN 134 173.310 -10.950 13.814 426 H GLY 135 H GLY 135 178.609 -10.749 9.722 427 1HA GLY 135 2HA GLY 135 178.616 -10.782 7.350 428 2HA GLY 135 1HA GLY 135 176.988 -11.460 7.381 429 H GLU 136 H GLU 136 177.705 -8.615 9.263 430 HA GLU 136 HA GLU 136 175.995 -7.013 7.389 431 1HB GLU 136 2HB GLU 136 176.513 -6.892 10.375 432 2HB GLU 136 1HB GLU 136 175.540 -5.706 9.503 433 1HG GLU 136 2HG GLU 136 174.029 -7.500 8.739 434 2HG GLU 136 1HG GLU 136 174.997 -8.688 9.613 435 H ILE 137 H ILE 137 176.748 -5.079 6.631 436 HA ILE 137 HA ILE 137 179.414 -4.116 7.612 437 HB ILE 137 HB ILE 137 178.324 -4.461 4.802 438 1HG1 ILE 137 2HG1 ILE 137 180.670 -5.582 4.646 439 2HG1 ILE 137 1HG1 ILE 137 180.625 -5.566 6.407 440 1HG2 ILE 137 1HG2 ILE 137 179.415 -2.235 4.973 441 2HG2 ILE 137 2HG2 ILE 137 180.361 -3.345 3.981 442 3HG2 ILE 137 3HG2 ILE 137 180.856 -3.005 5.639 443 1HD1 ILE 137 1HD1 ILE 137 179.187 -7.301 6.468 444 2HD1 ILE 137 2HD1 ILE 137 179.505 -7.509 4.749 445 3HD1 ILE 137 3HD1 ILE 137 178.122 -6.552 5.279 446 H ASP 138 H ASP 138 179.620 -1.885 7.741 447 HA ASP 138 HA ASP 138 177.227 -0.337 8.189 448 1HB ASP 138 2HB ASP 138 179.492 -0.068 9.267 449 2HB ASP 138 1HB ASP 138 180.074 0.622 7.751 450 H TYR 139 H TYR 139 175.935 0.355 6.514 451 HA TYR 139 HA TYR 139 176.762 0.538 3.769 452 1HB TYR 139 2HB TYR 139 174.517 1.411 3.446 453 2HB TYR 139 1HB TYR 139 174.470 0.097 4.614 454 HD1 TYR 139 HD1 TYR 139 174.237 3.754 4.161 455 HD2 TYR 139 HD2 TYR 139 173.934 0.502 6.949 456 HE1 TYR 139 HE1 TYR 139 173.152 5.262 5.803 457 HE2 TYR 139 HE2 TYR 139 172.852 2.011 8.588 458 HH TYR 139 HH TYR 139 172.998 4.857 8.846 459 H LYS 140 H LYS 140 176.359 3.020 6.307 460 HA LYS 140 HA LYS 140 176.681 5.299 4.629 461 1HB LYS 140 2HB LYS 140 176.534 4.624 7.447 462 2HB LYS 140 1HB LYS 140 177.749 5.874 7.195 463 1HG LYS 140 2HG LYS 140 176.185 7.350 6.194 464 2HG LYS 140 1HG LYS 140 175.001 6.065 5.960 465 1HD LYS 140 2HD LYS 140 174.911 5.834 8.487 466 2HD LYS 140 1HD LYS 140 175.862 7.318 8.576 467 1HE LYS 140 2HE LYS 140 174.122 8.549 7.361 468 2HE LYS 140 1HE LYS 140 173.173 7.059 7.180 469 1HZ LYS 140 1HZ LYS 140 173.995 8.325 9.741 470 2HZ LYS 140 2HZ LYS 140 173.200 6.830 9.611 471 3HZ LYS 140 3HZ LYS 140 172.418 8.255 9.119 472 H LYS 141 H LYS 141 179.008 3.271 6.349 473 HA LYS 141 HA LYS 141 181.351 4.879 5.826 474 1HB LYS 141 2HB LYS 141 180.890 1.964 6.515 475 2HB LYS 141 1HB LYS 141 182.489 2.707 6.473 476 1HG LYS 141 2HG LYS 141 180.217 3.816 8.136 477 2HG LYS 141 1HG LYS 141 181.372 2.640 8.764 478 1HD LYS 141 2HD LYS 141 183.228 4.193 8.143 479 2HD LYS 141 1HD LYS 141 182.023 5.386 7.658 480 1HE LYS 141 2HE LYS 141 181.054 5.026 10.069 481 2HE LYS 141 1HE LYS 141 182.668 4.379 10.423 482 1HZ LYS 141 1HZ LYS 141 182.449 6.844 10.703 483 2HZ LYS 141 2HZ LYS 141 182.218 6.957 9.024 484 3HZ LYS 141 3HZ LYS 141 183.681 6.358 9.645 485 H PHE 142 H PHE 142 179.940 2.040 4.191 486 HA PHE 142 HA PHE 142 182.054 1.800 2.261 487 1HB PHE 142 2HB PHE 142 180.329 0.073 3.078 488 2HB PHE 142 1HB PHE 142 179.186 0.849 1.985 489 HD1 PHE 142 HD1 PHE 142 178.890 -0.335 0.006 490 HD2 PHE 142 HD2 PHE 142 182.803 -0.151 1.773 491 HE1 PHE 142 HE1 PHE 142 179.802 -1.691 -1.866 492 HE2 PHE 142 HE2 PHE 142 183.712 -1.499 -0.098 493 HZ PHE 142 HZ PHE 142 182.211 -2.274 -1.914 494 H ILE 143 H ILE 143 179.086 3.676 2.380 495 HA ILE 143 HA ILE 143 179.133 4.346 -0.491 496 HB ILE 143 HB ILE 143 177.521 5.271 1.913 497 1HG1 ILE 143 2HG1 ILE 143 176.683 3.458 -0.358 498 2HG1 ILE 143 1HG1 ILE 143 177.356 2.840 1.152 499 1HG2 ILE 143 1HG2 ILE 143 175.912 5.889 -0.075 500 2HG2 ILE 143 2HG2 ILE 143 177.409 5.962 -1.003 501 3HG2 ILE 143 3HG2 ILE 143 177.188 7.008 0.400 502 1HD1 ILE 143 1HD1 ILE 143 175.510 4.435 2.216 503 2HD1 ILE 143 2HD1 ILE 143 175.104 2.803 1.685 504 3HD1 ILE 143 3HD1 ILE 143 174.731 4.184 0.654 505 H GLU 144 H GLU 144 179.516 6.152 2.582 506 HA GLU 144 HA GLU 144 180.304 8.644 1.424 507 1HB GLU 144 2HB GLU 144 180.857 7.289 4.079 508 2HB GLU 144 1HB GLU 144 181.275 8.971 3.754 509 1HG GLU 144 2HG GLU 144 178.914 9.465 3.236 510 2HG GLU 144 1HG GLU 144 178.490 7.785 3.557 511 H ASP 145 H ASP 145 182.162 5.708 2.075 512 HA ASP 145 HA ASP 145 184.708 7.115 1.577 513 1HB ASP 145 2HB ASP 145 184.466 5.312 3.306 514 2HB ASP 145 1HB ASP 145 184.092 4.168 2.016 515 H VAL 146 H VAL 146 182.310 5.565 -0.323 516 HA VAL 146 HA VAL 146 184.243 4.985 -2.518 517 HB VAL 146 HB VAL 146 181.311 4.404 -1.980 518 1HG1 VAL 146 1HG1 VAL 146 182.836 4.312 -4.558 519 2HG1 VAL 146 2HG1 VAL 146 181.133 4.676 -4.279 520 3HG1 VAL 146 3HG1 VAL 146 181.698 3.007 -4.219 521 1HG2 VAL 146 1HG2 VAL 146 182.012 2.138 -1.877 522 2HG2 VAL 146 2HG2 VAL 146 183.258 3.030 -1.003 523 3HG2 VAL 146 3HG2 VAL 146 183.552 2.496 -2.659 524 H LEU 147 H LEU 147 181.497 7.020 -1.622 525 HA LEU 147 HA LEU 147 181.129 8.504 -4.057 526 1HB LEU 147 2HB LEU 147 180.660 8.959 -1.117 527 2HB LEU 147 1HB LEU 147 180.334 10.245 -2.279 528 HG LEU 147 HG LEU 147 179.190 7.448 -2.496 529 1HD1 LEU 147 1HD1 LEU 147 177.499 9.806 -1.820 530 2HD1 LEU 147 2HD1 LEU 147 178.506 9.150 -0.530 531 3HD1 LEU 147 3HD1 LEU 147 177.323 8.121 -1.334 532 1HD2 LEU 147 1HD2 LEU 147 179.058 8.332 -4.640 533 2HD2 LEU 147 2HD2 LEU 147 178.985 9.996 -4.059 534 3HD2 LEU 147 3HD2 LEU 147 177.560 8.961 -3.953 535 H ARG 148 H ARG 148 183.697 8.638 -1.720 536 HA ARG 148 HA ARG 148 184.588 11.319 -2.002 537 1HB ARG 148 2HB ARG 148 185.917 8.659 -1.493 538 2HB ARG 148 1HB ARG 148 186.861 10.148 -1.533 539 1HG ARG 148 2HG ARG 148 184.389 9.862 0.183 540 2HG ARG 148 1HG ARG 148 185.993 9.416 0.767 541 1HD ARG 148 2HD ARG 148 186.633 11.837 -0.140 542 2HD ARG 148 1HD ARG 148 184.904 12.133 0.126 543 HE ARG 148 HE ARG 148 185.254 11.299 2.474 544 1HH1 ARG 148 1HH2 ARG 148 187.038 13.758 1.497 545 2HH1 ARG 148 2HH2 ARG 148 188.463 13.429 2.424 546 1HH2 ARG 148 2HH1 ARG 148 187.488 10.212 3.276 547 2HH2 ARG 148 1HH1 ARG 148 188.718 11.423 3.431 548 H GLN 149 HN GLN 149 185.727 12.367 -3.632 549 HA GLN 149 HA GLN 149 187.154 10.909 -5.737 550 1HB GLN 149 2HB GLN 149 184.754 10.678 -6.355 551 2HB GLN 149 1HB GLN 149 184.600 12.435 -6.349 552 1HG GLN 149 2HG GLN 149 186.229 12.632 -8.148 553 2HG GLN 149 1HG GLN 149 186.532 10.894 -8.106 554 1HE2 GLN 149 1HE2 GLN 149 185.660 10.223 -10.110 555 2HE2 GLN 149 2HE2 GLN 149 184.054 10.502 -10.583 Start of MODEL 3 1 1H LYS 80 H LYS 80 178.145 14.798 -8.933 2 HA LYS 80 HA LYS 80 177.172 16.673 -7.833 3 1HB LYS 80 2HB LYS 80 176.291 16.213 -10.507 4 2HB LYS 80 1HB LYS 80 174.898 16.816 -9.612 5 1HG LYS 80 2HG LYS 80 177.630 18.133 -9.609 6 2HG LYS 80 1HG LYS 80 176.278 18.645 -10.620 7 1HD LYS 80 2HD LYS 80 174.937 18.801 -8.417 8 2HD LYS 80 1HD LYS 80 176.505 18.733 -7.612 9 1HE LYS 80 2HE LYS 80 177.262 20.716 -8.856 10 2HE LYS 80 1HE LYS 80 175.711 20.777 -9.719 11 1HZ LYS 80 1HZ LYS 80 175.747 22.214 -7.729 12 2HZ LYS 80 2HZ LYS 80 176.000 20.841 -6.761 13 3HZ LYS 80 3HZ LYS 80 174.558 21.009 -7.641 14 H ALA 81 H ALA 81 176.341 14.141 -6.717 15 HA ALA 81 HA ALA 81 173.472 14.631 -5.958 16 1HB ALA 81 1HB ALA 81 175.260 12.246 -6.311 17 2HB ALA 81 2HB ALA 81 173.624 12.510 -6.915 18 3HB ALA 81 3HB ALA 81 173.885 12.140 -5.211 19 H LYS 82 H LYS 82 172.954 14.433 -3.677 20 HA LYS 82 HA LYS 82 175.270 15.019 -1.868 21 1HB LYS 82 2HB LYS 82 172.340 15.652 -1.995 22 2HB LYS 82 1HB LYS 82 173.143 15.656 -0.424 23 1HG LYS 82 2HG LYS 82 174.200 17.179 -2.817 24 2HG LYS 82 1HG LYS 82 173.119 17.896 -1.620 25 1HD LYS 82 2HD LYS 82 174.891 16.925 0.090 26 2HD LYS 82 1HD LYS 82 175.962 17.001 -1.310 27 1HE LYS 82 2HE LYS 82 175.176 19.426 -1.606 28 2HE LYS 82 1HE LYS 82 174.478 19.282 0.020 29 1HZ LYS 82 1HZ LYS 82 176.747 20.070 0.174 30 2HZ LYS 82 2HZ LYS 82 177.304 18.743 -0.728 31 3HZ LYS 82 3HZ LYS 82 176.643 18.504 0.818 32 H THR 83 H THR 83 175.199 14.129 0.255 33 HA THR 83 HA THR 83 175.108 11.316 0.427 34 HB THR 83 HB THR 83 174.533 13.248 2.699 35 HG1 THR 83 HG1 THR 83 176.495 13.949 2.497 36 1HG2 THR 83 1HG2 THR 83 174.738 11.403 3.966 37 2HG2 THR 83 2HG2 THR 83 176.400 11.242 3.399 38 3HG2 THR 83 3HG2 THR 83 175.096 10.419 2.545 39 H GLU 84 H GLU 84 172.554 13.669 0.889 40 HA GLU 84 HA GLU 84 170.518 12.216 2.163 41 1HB GLU 84 2HB GLU 84 170.519 14.242 -0.095 42 2HB GLU 84 1HB GLU 84 169.037 13.727 0.723 43 1HG GLU 84 2HG GLU 84 170.095 14.400 2.909 44 2HG GLU 84 1HG GLU 84 171.437 15.080 1.987 45 H ASP 85 H ASP 85 171.467 12.132 -1.265 46 HA ASP 85 HA ASP 85 169.303 10.556 -2.268 47 1HB ASP 85 2HB ASP 85 171.221 11.842 -3.450 48 2HB ASP 85 1HB ASP 85 172.173 10.376 -3.203 49 H PHE 86 H PHE 86 172.537 9.553 -1.130 50 HA PHE 86 HA PHE 86 171.968 6.701 -1.290 51 1HB PHE 86 2HB PHE 86 174.138 8.525 -0.378 52 2HB PHE 86 1HB PHE 86 174.127 6.903 0.317 53 HD1 PHE 86 HD1 PHE 86 175.654 8.672 -2.156 54 HD2 PHE 86 HD2 PHE 86 173.286 5.115 -1.708 55 HE1 PHE 86 HE1 PHE 86 176.617 7.764 -4.253 56 HE2 PHE 86 HE2 PHE 86 174.252 4.208 -3.803 57 HZ PHE 86 HZ PHE 86 175.915 5.533 -5.078 58 H VAL 87 H VAL 87 171.960 9.101 1.363 59 HA VAL 87 HA VAL 87 171.665 7.261 3.497 60 HB VAL 87 HB VAL 87 170.723 10.126 3.158 61 1HG1 VAL 87 1HG1 VAL 87 170.706 8.256 5.473 62 2HG1 VAL 87 2HG1 VAL 87 169.666 9.640 5.138 63 3HG1 VAL 87 3HG1 VAL 87 171.284 9.892 5.792 64 1HG2 VAL 87 1HG2 VAL 87 173.144 9.371 4.718 65 2HG2 VAL 87 2HG2 VAL 87 172.866 10.770 3.682 66 3HG2 VAL 87 3HG2 VAL 87 173.259 9.208 2.966 67 H LYS 88 H LYS 88 169.178 9.123 1.701 68 HA LYS 88 HA LYS 88 166.867 8.176 3.057 69 1HB LYS 88 2HB LYS 88 167.053 10.104 1.475 70 2HB LYS 88 1HB LYS 88 167.197 8.958 0.142 71 1HG LYS 88 2HG LYS 88 164.984 7.977 0.847 72 2HG LYS 88 1HG LYS 88 164.831 9.300 2.004 73 1HD LYS 88 2HD LYS 88 165.221 9.681 -0.978 74 2HD LYS 88 1HD LYS 88 163.660 9.758 -0.161 75 1HE LYS 88 2HE LYS 88 164.378 11.664 1.167 76 2HE LYS 88 1HE LYS 88 166.030 11.530 0.533 77 1HZ LYS 88 1HZ LYS 88 164.869 13.147 -0.769 78 2HZ LYS 88 2HZ LYS 88 163.561 12.091 -1.021 79 3HZ LYS 88 3HZ LYS 88 165.072 11.761 -1.725 80 H ALA 89 H ALA 89 168.666 6.794 0.340 81 HA ALA 89 HA ALA 89 166.803 4.795 -0.489 82 1HB ALA 89 1HB ALA 89 168.852 5.513 -1.689 83 2HB ALA 89 2HB ALA 89 168.809 3.763 -1.470 84 3HB ALA 89 3HB ALA 89 169.835 4.756 -0.435 85 H PHE 90 H PHE 90 169.551 4.449 1.809 86 HA PHE 90 HA PHE 90 168.754 1.745 2.517 87 1HB PHE 90 2HB PHE 90 170.764 3.780 3.470 88 2HB PHE 90 1HB PHE 90 170.554 2.260 4.338 89 HD1 PHE 90 HD1 PHE 90 171.636 3.817 1.171 90 HD2 PHE 90 HD2 PHE 90 171.148 0.128 3.320 91 HE1 PHE 90 HE1 PHE 90 173.039 2.652 -0.507 92 HE2 PHE 90 HE2 PHE 90 172.552 -1.034 1.642 93 HZ PHE 90 HZ PHE 90 173.497 0.226 -0.273 94 H GLN 91 H GLN 91 168.816 4.808 4.376 95 HA GLN 91 HA GLN 91 167.732 3.987 6.779 96 1HB GLN 91 2HB GLN 91 167.477 6.503 5.150 97 2HB GLN 91 1HB GLN 91 166.706 6.388 6.733 98 1HG GLN 91 2HG GLN 91 168.976 5.624 7.628 99 2HG GLN 91 1HG GLN 91 169.648 6.138 6.080 100 1HE2 GLN 91 1HE2 GLN 91 169.918 7.312 8.919 101 2HE2 GLN 91 2HE2 GLN 91 169.512 8.949 8.724 102 H VAL 92 H VAL 92 165.746 4.719 3.846 103 HA VAL 92 HA VAL 92 163.231 4.597 5.159 104 HB VAL 92 HB VAL 92 164.070 3.794 2.344 105 1HG1 VAL 92 1HG1 VAL 92 161.362 4.165 3.617 106 2HG1 VAL 92 2HG1 VAL 92 161.914 2.867 2.561 107 3HG1 VAL 92 3HG1 VAL 92 161.594 4.467 1.895 108 1HG2 VAL 92 1HG2 VAL 92 163.778 6.022 1.749 109 2HG2 VAL 92 2HG2 VAL 92 164.391 6.207 3.393 110 3HG2 VAL 92 3HG2 VAL 92 162.660 6.336 3.078 111 H PHE 93 H PHE 93 165.412 2.087 4.072 112 HA PHE 93 HA PHE 93 163.515 -0.101 4.766 113 1HB PHE 93 2HB PHE 93 166.015 0.277 3.216 114 2HB PHE 93 1HB PHE 93 165.893 -1.266 4.062 115 HD1 PHE 93 HD1 PHE 93 164.039 -2.827 3.581 116 HD2 PHE 93 HD2 PHE 93 164.526 0.832 1.385 117 HE1 PHE 93 HE1 PHE 93 162.478 -3.662 1.845 118 HE2 PHE 93 HE2 PHE 93 162.964 -0.003 -0.352 119 HZ PHE 93 HZ PHE 93 161.940 -2.251 -0.121 120 H ASP 94 H ASP 94 164.873 1.832 6.768 121 HA ASP 94 HA ASP 94 166.019 -0.279 8.560 122 1HB ASP 94 2HB ASP 94 167.651 1.379 7.382 123 2HB ASP 94 1HB ASP 94 166.960 2.591 8.462 124 H LYS 95 H LYS 95 163.721 -0.262 9.290 125 HA LYS 95 HA LYS 95 162.525 2.069 10.505 126 1HB LYS 95 2HB LYS 95 162.043 -0.904 10.884 127 2HB LYS 95 1HB LYS 95 160.933 0.376 11.375 128 1HG LYS 95 2HG LYS 95 161.258 1.104 8.819 129 2HG LYS 95 1HG LYS 95 161.590 -0.619 8.641 130 1HD LYS 95 2HD LYS 95 159.448 -1.116 9.823 131 2HD LYS 95 1HD LYS 95 159.102 0.614 9.859 132 1HE LYS 95 2HE LYS 95 159.379 0.585 7.309 133 2HE LYS 95 1HE LYS 95 159.316 -1.186 7.432 134 1HZ LYS 95 1HZ LYS 95 157.094 -0.286 7.148 135 2HZ LYS 95 2HZ LYS 95 157.295 0.712 8.508 136 3HZ LYS 95 3HZ LYS 95 157.249 -0.977 8.689 137 H GLU 96 H GLU 96 165.091 0.057 11.590 138 HA GLU 96 HA GLU 96 164.564 0.864 14.429 139 1HB GLU 96 2HB GLU 96 165.863 -1.537 13.136 140 2HB GLU 96 1HB GLU 96 166.173 -1.139 14.827 141 1HG GLU 96 2HG GLU 96 163.394 -1.469 13.667 142 2HG GLU 96 1HG GLU 96 164.272 -2.763 14.485 143 H SER 97 H SER 97 166.235 2.028 11.929 144 HA SER 97 HA SER 97 168.316 3.020 11.578 145 1HB SER 97 2HB SER 97 167.774 3.875 14.423 146 2HB SER 97 1HB SER 97 168.519 4.822 13.138 147 HG SER 97 HG SER 97 166.414 5.446 13.204 148 H THR 98 H THR 98 168.828 0.297 12.576 149 HA THR 98 HA THR 98 170.721 0.304 14.742 150 HB THR 98 HB THR 98 171.335 -1.908 13.807 151 HG1 THR 98 HG1 THR 98 169.646 -1.238 11.637 152 1HG2 THR 98 1HG2 THR 98 168.372 -1.561 13.379 153 2HG2 THR 98 2HG2 THR 98 169.084 -1.429 14.986 154 3HG2 THR 98 3HG2 THR 98 169.228 -2.935 14.078 155 H GLY 99 H GLY 99 171.050 0.846 11.267 156 1HA GLY 99 2HA GLY 99 172.762 2.230 10.288 157 2HA GLY 99 1HA GLY 99 173.729 2.020 11.744 158 H LYS 100 H LYS 100 172.364 -0.916 10.557 159 HA LYS 100 HA LYS 100 174.913 -1.569 9.128 160 1HB LYS 100 2HB LYS 100 173.436 -3.058 11.309 161 2HB LYS 100 1HB LYS 100 174.698 -3.804 10.327 162 1HG LYS 100 2HG LYS 100 176.174 -1.812 11.002 163 2HG LYS 100 1HG LYS 100 174.953 -1.472 12.229 164 1HD LYS 100 2HD LYS 100 175.233 -3.728 13.159 165 2HD LYS 100 1HD LYS 100 176.423 -4.103 11.912 166 1HE LYS 100 2HE LYS 100 177.454 -1.775 12.950 167 2HE LYS 100 1HE LYS 100 176.752 -2.536 14.391 168 1HZ LYS 100 1HZ LYS 100 178.940 -3.424 14.063 169 2HZ LYS 100 2HZ LYS 100 178.607 -3.792 12.439 170 3HZ LYS 100 3HZ LYS 100 177.817 -4.637 13.684 171 H VAL 101 H VAL 101 174.651 -3.330 7.546 172 HA VAL 101 HA VAL 101 171.921 -4.329 7.022 173 HB VAL 101 HB VAL 101 172.026 -3.474 4.655 174 1HG1 VAL 101 1HG1 VAL 101 170.912 -2.227 6.586 175 2HG1 VAL 101 2HG1 VAL 101 171.344 -1.247 5.185 176 3HG1 VAL 101 3HG1 VAL 101 172.350 -1.208 6.632 177 1HG2 VAL 101 1HG2 VAL 101 173.706 -1.862 4.020 178 2HG2 VAL 101 2HG2 VAL 101 174.550 -3.268 4.670 179 3HG2 VAL 101 3HG2 VAL 101 174.361 -1.819 5.657 180 H SER 102 H SER 102 171.955 -6.085 5.379 181 HA SER 102 HA SER 102 174.413 -7.693 5.556 182 1HB SER 102 2HB SER 102 172.866 -9.241 4.188 183 2HB SER 102 1HB SER 102 172.346 -8.830 5.819 184 HG SER 102 HG SER 102 171.557 -7.505 3.432 185 H VAL 103 H VAL 103 175.765 -8.197 3.799 186 HA VAL 103 HA VAL 103 176.162 -6.306 1.731 187 HB VAL 103 HB VAL 103 177.818 -7.935 2.563 188 1HG1 VAL 103 1HG1 VAL 103 176.005 -9.800 2.635 189 2HG1 VAL 103 2HG1 VAL 103 177.655 -10.254 2.212 190 3HG1 VAL 103 3HG1 VAL 103 176.439 -10.071 0.948 191 1HG2 VAL 103 1HG2 VAL 103 178.566 -8.801 0.244 192 2HG2 VAL 103 2HG2 VAL 103 178.403 -7.056 0.443 193 3HG2 VAL 103 3HG2 VAL 103 177.141 -7.973 -0.380 194 H GLY 104 H GLY 104 174.309 -9.379 1.660 195 1HA GLY 104 2HA GLY 104 173.775 -9.445 -1.118 196 2HA GLY 104 1HA GLY 104 172.747 -10.170 0.116 197 H ASP 105 H ASP 105 172.013 -7.810 1.513 198 HA ASP 105 HA ASP 105 169.935 -6.785 -0.284 199 1HB ASP 105 2HB ASP 105 169.694 -7.375 2.170 200 2HB ASP 105 1HB ASP 105 170.676 -5.957 2.539 201 H LEU 106 H LEU 106 172.784 -5.467 1.397 202 HA LEU 106 HA LEU 106 172.493 -2.739 0.634 203 1HB LEU 106 2HB LEU 106 174.054 -3.635 2.341 204 2HB LEU 106 1HB LEU 106 174.996 -4.406 1.066 205 HG LEU 106 HG LEU 106 174.454 -1.469 0.856 206 1HD1 LEU 106 1HD1 LEU 106 176.123 -2.815 2.925 207 2HD1 LEU 106 2HD1 LEU 106 175.304 -1.254 2.981 208 3HD1 LEU 106 3HD1 LEU 106 176.831 -1.418 2.115 209 1HD2 LEU 106 1HD2 LEU 106 175.664 -2.167 -0.985 210 2HD2 LEU 106 2HD2 LEU 106 176.441 -3.484 -0.106 211 3HD2 LEU 106 3HD2 LEU 106 177.001 -1.826 0.114 212 H ARG 107 H ARG 107 174.378 -5.356 -0.945 213 HA ARG 107 HA ARG 107 175.234 -3.783 -3.178 214 1HB ARG 107 2HB ARG 107 176.108 -6.023 -2.301 215 2HB ARG 107 1HB ARG 107 174.739 -6.774 -3.121 216 1HG ARG 107 2HG ARG 107 175.546 -5.525 -5.229 217 2HG ARG 107 1HG ARG 107 177.052 -5.264 -4.346 218 1HD ARG 107 2HD ARG 107 177.404 -7.653 -4.104 219 2HD ARG 107 1HD ARG 107 175.805 -8.000 -4.792 220 HE ARG 107 HE ARG 107 177.467 -6.344 -6.535 221 1HH1 ARG 107 1HH2 ARG 107 178.974 -8.924 -5.919 222 2HH1 ARG 107 2HH2 ARG 107 178.442 -9.939 -7.219 223 1HH2 ARG 107 2HH1 ARG 107 175.757 -7.913 -8.056 224 2HH2 ARG 107 1HH1 ARG 107 176.621 -9.367 -8.427 225 H TYR 108 H TYR 108 172.314 -5.698 -2.590 226 HA TYR 108 HA TYR 108 171.342 -5.697 -5.305 227 1HB TYR 108 2HB TYR 108 170.617 -7.183 -3.402 228 2HB TYR 108 1HB TYR 108 169.796 -5.794 -2.691 229 HD1 TYR 108 HD1 TYR 108 170.012 -7.728 -5.896 230 HD2 TYR 108 HD2 TYR 108 167.580 -5.333 -3.288 231 HE1 TYR 108 HE1 TYR 108 168.043 -8.150 -7.344 232 HE2 TYR 108 HE2 TYR 108 165.611 -5.754 -4.736 233 HH TYR 108 HH TYR 108 165.186 -6.370 -7.125 234 H MET 109 H MET 109 170.541 -3.586 -2.512 235 HA MET 109 HA MET 109 168.801 -1.885 -4.035 236 1HB MET 109 2HB MET 109 170.082 -1.984 -1.370 237 2HB MET 109 1HB MET 109 169.586 -0.380 -1.911 238 1HG MET 109 2HG MET 109 167.488 -2.241 -2.546 239 2HG MET 109 1HG MET 109 167.957 -2.476 -0.866 240 1HE MET 109 1HE MET 109 168.329 1.311 -2.526 241 2HE MET 109 2HE MET 109 166.625 1.338 -2.968 242 3HE MET 109 3HE MET 109 167.655 0.032 -3.546 243 H LEU 110 H LEU 110 172.276 -1.767 -3.235 244 HA LEU 110 HA LEU 110 172.885 0.885 -3.979 245 1HB LEU 110 2HB LEU 110 174.390 -0.826 -2.940 246 2HB LEU 110 1HB LEU 110 174.448 -1.678 -4.481 247 HG LEU 110 HG LEU 110 175.327 0.471 -5.506 248 1HD1 LEU 110 1HD1 LEU 110 176.524 1.839 -3.563 249 2HD1 LEU 110 2HD1 LEU 110 175.178 1.218 -2.608 250 3HD1 LEU 110 3HD1 LEU 110 174.865 2.209 -4.034 251 1HD2 LEU 110 1HD2 LEU 110 176.761 -1.217 -3.488 252 2HD2 LEU 110 2HD2 LEU 110 177.609 0.166 -4.183 253 3HD2 LEU 110 3HD2 LEU 110 177.001 -1.115 -5.232 254 H THR 111 H THR 111 172.678 -2.052 -6.007 255 HA THR 111 HA THR 111 173.337 -0.825 -8.502 256 HB THR 111 HB THR 111 171.522 -3.184 -7.931 257 HG1 THR 111 HG1 THR 111 174.330 -3.114 -8.300 258 1HG2 THR 111 1HG2 THR 111 171.532 -2.424 -10.281 259 2HG2 THR 111 2HG2 THR 111 172.330 -3.987 -10.111 260 3HG2 THR 111 3HG2 THR 111 173.293 -2.522 -10.301 261 H GLY 112 H GLY 112 170.467 -0.693 -6.572 262 1HA GLY 112 2HA GLY 112 168.680 0.061 -8.791 263 2HA GLY 112 1HA GLY 112 168.224 -0.090 -7.096 264 H LEU 113 H LEU 113 170.863 1.595 -6.647 265 HA LEU 113 HA LEU 113 169.429 4.166 -6.563 266 1HB LEU 113 2HB LEU 113 171.106 2.708 -4.906 267 2HB LEU 113 1HB LEU 113 172.170 3.970 -5.524 268 HG LEU 113 HG LEU 113 169.429 4.532 -4.364 269 1HD1 LEU 113 1HD1 LEU 113 170.569 3.701 -2.499 270 2HD1 LEU 113 2HD1 LEU 113 170.962 5.418 -2.431 271 3HD1 LEU 113 3HD1 LEU 113 172.133 4.271 -3.080 272 1HD2 LEU 113 1HD2 LEU 113 171.711 6.129 -5.433 273 2HD2 LEU 113 2HD2 LEU 113 170.858 6.780 -4.033 274 3HD2 LEU 113 3HD2 LEU 113 169.978 6.445 -5.525 275 H GLY 114 H GLY 114 171.244 2.799 -8.978 276 1HA GLY 114 2HA GLY 114 171.997 4.147 -10.880 277 2HA GLY 114 1HA GLY 114 172.419 5.434 -9.747 278 H GLU 115 H GLU 115 173.104 2.082 -9.199 279 HA GLU 115 HA GLU 115 176.060 2.630 -9.427 280 1HB GLU 115 2HB GLU 115 174.573 0.660 -7.674 281 2HB GLU 115 1HB GLU 115 176.309 0.926 -7.679 282 1HG GLU 115 2HG GLU 115 174.700 3.386 -7.333 283 2HG GLU 115 1HG GLU 115 174.576 2.234 -6.006 284 H LYS 116 H LYS 116 176.959 1.543 -11.163 285 HA LYS 116 HA LYS 116 175.768 -1.095 -11.869 286 1HB LYS 116 2HB LYS 116 176.750 1.169 -13.642 287 2HB LYS 116 1HB LYS 116 176.507 -0.463 -14.266 288 1HG LYS 116 2HG LYS 116 174.160 -0.409 -13.669 289 2HG LYS 116 1HG LYS 116 174.363 1.133 -12.839 290 1HD LYS 116 2HD LYS 116 173.521 1.826 -14.902 291 2HD LYS 116 1HD LYS 116 175.260 1.950 -15.172 292 1HE LYS 116 2HE LYS 116 174.172 -0.734 -15.744 293 2HE LYS 116 1HE LYS 116 173.545 0.545 -16.804 294 1HZ LYS 116 1HZ LYS 116 176.421 0.207 -16.142 295 2HZ LYS 116 2HZ LYS 116 175.748 1.268 -17.287 296 3HZ LYS 116 3HZ LYS 116 175.704 -0.410 -17.550 297 H LEU 117 H LEU 117 177.523 -1.377 -10.105 298 HA LEU 117 HA LEU 117 180.263 -1.663 -11.206 299 1HB LEU 117 2HB LEU 117 179.015 -2.245 -8.493 300 2HB LEU 117 1HB LEU 117 180.740 -2.274 -8.855 301 HG LEU 117 HG LEU 117 178.980 0.165 -9.214 302 1HD1 LEU 117 1HD1 LEU 117 179.101 -0.291 -6.853 303 2HD1 LEU 117 2HD1 LEU 117 180.267 0.989 -7.189 304 3HD1 LEU 117 3HD1 LEU 117 180.820 -0.670 -6.956 305 1HD2 LEU 117 1HD2 LEU 117 181.979 -0.288 -9.305 306 2HD2 LEU 117 2HD2 LEU 117 181.217 1.301 -9.327 307 3HD2 LEU 117 3HD2 LEU 117 180.943 0.174 -10.655 308 H THR 118 H THR 118 181.212 -3.787 -11.424 309 HA THR 118 HA THR 118 179.206 -6.011 -11.539 310 HB THR 118 HB THR 118 181.857 -5.752 -12.960 311 HG1 THR 118 HG1 THR 118 179.257 -5.117 -13.890 312 1HG2 THR 118 1HG2 THR 118 180.673 -7.370 -14.529 313 2HG2 THR 118 2HG2 THR 118 179.434 -7.526 -13.283 314 3HG2 THR 118 3HG2 THR 118 181.094 -8.015 -12.943 315 H ASP 119 H ASP 119 179.689 -7.939 -10.379 316 HA ASP 119 HA ASP 119 181.115 -8.086 -8.078 317 1HB ASP 119 2HB ASP 119 179.671 -9.815 -9.231 318 2HB ASP 119 1HB ASP 119 181.105 -10.304 -10.134 319 H ALA 120 H ALA 120 182.595 -8.258 -11.282 320 HA ALA 120 HA ALA 120 185.214 -9.223 -10.558 321 1HB ALA 120 1HB ALA 120 184.112 -7.403 -12.716 322 2HB ALA 120 2HB ALA 120 184.529 -9.111 -12.857 323 3HB ALA 120 3HB ALA 120 185.802 -7.905 -12.673 324 H GLU 121 H GLU 121 183.978 -5.887 -10.996 325 HA GLU 121 HA GLU 121 186.364 -4.660 -9.838 326 1HB GLU 121 2HB GLU 121 183.647 -3.777 -10.803 327 2HB GLU 121 1HB GLU 121 184.710 -2.641 -9.975 328 1HG GLU 121 2HG GLU 121 186.505 -3.157 -11.618 329 2HG GLU 121 1HG GLU 121 185.389 -4.221 -12.471 330 H VAL 122 H VAL 122 183.013 -5.243 -8.768 331 HA VAL 122 HA VAL 122 183.136 -3.943 -6.219 332 HB VAL 122 HB VAL 122 181.581 -6.391 -7.135 333 1HG1 VAL 122 1HG1 VAL 122 181.271 -4.498 -4.794 334 2HG1 VAL 122 2HG1 VAL 122 181.350 -6.260 -4.766 335 3HG1 VAL 122 3HG1 VAL 122 179.917 -5.452 -5.406 336 1HG2 VAL 122 1HG2 VAL 122 179.788 -4.664 -7.554 337 2HG2 VAL 122 2HG2 VAL 122 181.178 -4.526 -8.630 338 3HG2 VAL 122 3HG2 VAL 122 181.003 -3.420 -7.268 339 H ASP 123 H ASP 123 184.149 -7.216 -7.209 340 HA ASP 123 HA ASP 123 184.574 -8.226 -4.556 341 1HB ASP 123 2HB ASP 123 184.465 -9.614 -6.612 342 2HB ASP 123 1HB ASP 123 185.959 -8.876 -7.191 343 H GLU 124 H GLU 124 186.637 -6.401 -6.790 344 HA GLU 124 HA GLU 124 189.095 -6.467 -5.322 345 1HB GLU 124 2HB GLU 124 187.828 -4.332 -7.074 346 2HB GLU 124 1HB GLU 124 189.532 -4.381 -6.622 347 1HG GLU 124 2HG GLU 124 189.317 -6.871 -7.575 348 2HG GLU 124 1HG GLU 124 188.021 -6.127 -8.511 349 H LEU 125 H LEU 125 186.396 -4.124 -5.255 350 HA LEU 125 HA LEU 125 187.413 -2.377 -3.242 351 1HB LEU 125 2HB LEU 125 184.783 -3.115 -4.448 352 2HB LEU 125 1HB LEU 125 184.758 -2.147 -2.975 353 HG LEU 125 HG LEU 125 186.216 -0.469 -4.027 354 1HD1 LEU 125 1HD1 LEU 125 186.107 -2.367 -6.389 355 2HD1 LEU 125 2HD1 LEU 125 187.542 -1.832 -5.517 356 3HD1 LEU 125 3HD1 LEU 125 186.642 -0.692 -6.515 357 1HD2 LEU 125 1HD2 LEU 125 183.785 -0.246 -4.307 358 2HD2 LEU 125 2HD2 LEU 125 183.849 -1.264 -5.745 359 3HD2 LEU 125 3HD2 LEU 125 184.620 0.322 -5.753 360 H LEU 126 H LEU 126 185.249 -5.199 -3.036 361 HA LEU 126 HA LEU 126 184.767 -5.164 -0.222 362 1HB LEU 126 2HB LEU 126 184.752 -7.302 -2.357 363 2HB LEU 126 1HB LEU 126 184.220 -7.615 -0.705 364 HG LEU 126 HG LEU 126 183.108 -5.335 -2.352 365 1HD1 LEU 126 1HD1 LEU 126 182.120 -8.190 -2.097 366 2HD1 LEU 126 2HD1 LEU 126 182.603 -7.365 -3.579 367 3HD1 LEU 126 3HD1 LEU 126 181.144 -6.863 -2.726 368 1HD2 LEU 126 1HD2 LEU 126 181.168 -5.956 -0.656 369 2HD2 LEU 126 2HD2 LEU 126 182.521 -4.953 -0.131 370 3HD2 LEU 126 3HD2 LEU 126 182.492 -6.671 0.263 371 H LYS 127 H LYS 127 187.566 -6.165 -2.036 372 HA LYS 127 HA LYS 127 188.677 -8.198 -0.470 373 1HB LYS 127 2HB LYS 127 189.471 -7.269 -2.652 374 2HB LYS 127 1HB LYS 127 190.128 -5.884 -1.780 375 1HG LYS 127 2HG LYS 127 191.960 -7.380 -2.011 376 2HG LYS 127 1HG LYS 127 191.403 -7.598 -0.351 377 1HD LYS 127 2HD LYS 127 191.476 -9.811 -0.974 378 2HD LYS 127 1HD LYS 127 189.848 -9.433 -1.538 379 1HE LYS 127 2HE LYS 127 190.527 -9.274 -3.791 380 2HE LYS 127 1HE LYS 127 192.230 -9.036 -3.353 381 1HZ LYS 127 1HZ LYS 127 192.280 -11.263 -2.430 382 2HZ LYS 127 2HZ LYS 127 191.813 -11.322 -4.062 383 3HZ LYS 127 3HZ LYS 127 190.650 -11.501 -2.836 384 H GLY 128 H GLY 128 188.276 -4.831 0.405 385 1HA GLY 128 2HA GLY 128 190.132 -5.218 2.713 386 2HA GLY 128 1HA GLY 128 189.770 -3.648 2.001 387 H VAL 129 H VAL 129 186.813 -4.982 1.904 388 HA VAL 129 HA VAL 129 185.879 -3.540 4.236 389 HB VAL 129 HB VAL 129 184.674 -3.949 2.027 390 1HG1 VAL 129 1HG1 VAL 129 185.207 -6.606 2.536 391 2HG1 VAL 129 2HG1 VAL 129 184.011 -6.025 1.382 392 3HG1 VAL 129 3HG1 VAL 129 183.516 -6.473 3.012 393 1HG2 VAL 129 1HG2 VAL 129 182.970 -4.919 4.304 394 2HG2 VAL 129 2HG2 VAL 129 182.578 -3.754 3.040 395 3HG2 VAL 129 3HG2 VAL 129 183.658 -3.296 4.356 396 H GLU 130 H GLU 130 185.502 -4.192 6.229 397 HA GLU 130 HA GLU 130 186.178 -6.997 7.030 398 1HB GLU 130 2HB GLU 130 187.289 -4.954 8.001 399 2HB GLU 130 1HB GLU 130 185.721 -4.486 8.664 400 1HG GLU 130 2HG GLU 130 185.606 -6.616 9.906 401 2HG GLU 130 1HG GLU 130 187.172 -7.085 9.248 402 H VAL 131 H VAL 131 184.277 -8.159 6.677 403 HA VAL 131 HA VAL 131 181.662 -7.183 7.614 404 HB VAL 131 HB VAL 131 181.964 -8.573 5.581 405 1HG1 VAL 131 1HG1 VAL 131 182.418 -11.116 6.925 406 2HG1 VAL 131 2HG1 VAL 131 183.763 -10.010 7.196 407 3HG1 VAL 131 3HG1 VAL 131 183.271 -10.411 5.552 408 1HG2 VAL 131 1HG2 VAL 131 180.506 -9.988 7.829 409 2HG2 VAL 131 2HG2 VAL 131 180.243 -10.268 6.107 410 3HG2 VAL 131 3HG2 VAL 131 179.846 -8.703 6.818 411 H ASP 132 H ASP 132 180.471 -8.258 9.349 412 HA ASP 132 HA ASP 132 182.265 -9.195 11.524 413 1HB ASP 132 2HB ASP 132 179.395 -8.246 11.351 414 2HB ASP 132 1HB ASP 132 180.141 -8.792 12.853 415 H SER 133 H SER 133 180.904 -10.786 13.044 416 HA SER 133 HA SER 133 180.719 -13.318 11.650 417 1HB SER 133 2HB SER 133 180.317 -12.266 14.426 418 2HB SER 133 1HB SER 133 179.771 -13.898 14.054 419 HG SER 133 HG SER 133 181.793 -14.396 14.348 420 H ASN 134 H ASN 134 178.442 -10.833 11.740 421 HA ASN 134 HA ASN 134 176.117 -12.718 11.701 422 1HB ASN 134 2HB ASN 134 176.359 -10.654 13.279 423 2HB ASN 134 1HB ASN 134 176.035 -9.704 11.830 424 1HD2 ASN 134 1HD2 ASN 134 174.012 -9.142 13.233 425 2HD2 ASN 134 2HD2 ASN 134 172.665 -10.161 13.068 426 H GLY 135 H GLY 135 178.137 -10.788 9.679 427 1HA GLY 135 2HA GLY 135 178.055 -10.815 7.291 428 2HA GLY 135 1HA GLY 135 176.393 -11.401 7.378 429 H GLU 136 H GLU 136 177.474 -8.659 9.265 430 HA GLU 136 HA GLU 136 175.673 -6.905 7.632 431 1HB GLU 136 2HB GLU 136 176.554 -6.919 10.531 432 2HB GLU 136 1HB GLU 136 175.631 -5.596 9.816 433 1HG GLU 136 2HG GLU 136 173.844 -7.177 9.185 434 2HG GLU 136 1HG GLU 136 174.761 -8.501 9.900 435 H ILE 137 H ILE 137 176.498 -5.124 6.689 436 HA ILE 137 HA ILE 137 179.292 -4.271 7.375 437 HB ILE 137 HB ILE 137 177.891 -4.469 4.686 438 1HG1 ILE 137 2HG1 ILE 137 180.030 -5.992 4.370 439 2HG1 ILE 137 1HG1 ILE 137 179.973 -6.084 6.129 440 1HG2 ILE 137 1HG2 ILE 137 180.792 -3.935 4.749 441 2HG2 ILE 137 2HG2 ILE 137 179.810 -2.609 5.364 442 3HG2 ILE 137 3HG2 ILE 137 179.539 -3.222 3.734 443 1HD1 ILE 137 1HD1 ILE 137 178.173 -7.453 6.103 444 2HD1 ILE 137 2HD1 ILE 137 178.535 -7.691 4.396 445 3HD1 ILE 137 3HD1 ILE 137 177.347 -6.484 4.882 446 H ASP 138 H ASP 138 179.577 -2.049 7.540 447 HA ASP 138 HA ASP 138 177.265 -0.404 8.053 448 1HB ASP 138 2HB ASP 138 179.564 -0.229 9.073 449 2HB ASP 138 1HB ASP 138 180.140 0.426 7.541 450 H TYR 139 H TYR 139 175.956 0.286 6.384 451 HA TYR 139 HA TYR 139 176.767 0.471 3.631 452 1HB TYR 139 2HB TYR 139 174.526 1.452 3.351 453 2HB TYR 139 1HB TYR 139 174.482 0.027 4.384 454 HD1 TYR 139 HD1 TYR 139 174.422 3.746 4.378 455 HD2 TYR 139 HD2 TYR 139 173.790 0.167 6.668 456 HE1 TYR 139 HE1 TYR 139 173.327 5.077 6.162 457 HE2 TYR 139 HE2 TYR 139 172.704 1.499 8.451 458 HH TYR 139 HH TYR 139 171.438 4.295 8.143 459 H LYS 140 H LYS 140 176.553 2.911 6.226 460 HA LYS 140 HA LYS 140 176.837 5.194 4.505 461 1HB LYS 140 2HB LYS 140 176.788 4.526 7.361 462 2HB LYS 140 1HB LYS 140 177.854 5.885 7.009 463 1HG LYS 140 2HG LYS 140 176.124 7.206 6.183 464 2HG LYS 140 1HG LYS 140 175.121 5.815 5.773 465 1HD LYS 140 2HD LYS 140 174.466 5.471 8.009 466 2HD LYS 140 1HD LYS 140 175.814 6.415 8.643 467 1HE LYS 140 2HE LYS 140 174.758 8.443 7.472 468 2HE LYS 140 1HE LYS 140 173.310 7.435 7.281 469 1HZ LYS 140 1HZ LYS 140 173.278 7.022 9.631 470 2HZ LYS 140 2HZ LYS 140 173.321 8.702 9.386 471 3HZ LYS 140 3HZ LYS 140 174.728 7.873 9.856 472 H LYS 141 H LYS 141 179.126 3.057 6.118 473 HA LYS 141 HA LYS 141 181.482 4.691 5.701 474 1HB LYS 141 2HB LYS 141 180.982 1.773 6.328 475 2HB LYS 141 1HB LYS 141 182.598 2.477 6.282 476 1HG LYS 141 2HG LYS 141 180.385 3.662 7.965 477 2HG LYS 141 1HG LYS 141 181.454 2.399 8.578 478 1HD LYS 141 2HD LYS 141 183.416 3.827 8.028 479 2HD LYS 141 1HD LYS 141 182.313 5.103 7.509 480 1HE LYS 141 2HE LYS 141 182.704 5.733 9.730 481 2HE LYS 141 1HE LYS 141 181.265 4.712 9.929 482 1HZ LYS 141 1HZ LYS 141 184.064 3.722 10.057 483 2HZ LYS 141 2HZ LYS 141 182.655 2.819 10.351 484 3HZ LYS 141 3HZ LYS 141 183.109 4.062 11.417 485 H PHE 142 H PHE 142 180.125 1.881 3.946 486 HA PHE 142 HA PHE 142 182.293 1.733 2.072 487 1HB PHE 142 2HB PHE 142 180.735 -0.124 2.663 488 2HB PHE 142 1HB PHE 142 179.427 0.740 1.855 489 HD1 PHE 142 HD1 PHE 142 178.896 -0.242 -0.194 490 HD2 PHE 142 HD2 PHE 142 183.016 0.044 0.992 491 HE1 PHE 142 HE1 PHE 142 179.593 -1.244 -2.357 492 HE2 PHE 142 HE2 PHE 142 183.710 -0.953 -1.169 493 HZ PHE 142 HZ PHE 142 181.998 -1.598 -2.841 494 H ILE 143 H ILE 143 179.318 3.606 2.153 495 HA ILE 143 HA ILE 143 179.364 4.370 -0.684 496 HB ILE 143 HB ILE 143 177.983 5.426 1.814 497 1HG1 ILE 143 2HG1 ILE 143 176.815 3.792 -0.446 498 2HG1 ILE 143 1HG1 ILE 143 177.489 3.050 1.005 499 1HG2 ILE 143 1HG2 ILE 143 176.375 6.353 0.016 500 2HG2 ILE 143 2HG2 ILE 143 177.719 6.128 -1.104 501 3HG2 ILE 143 3HG2 ILE 143 177.893 7.212 0.276 502 1HD1 ILE 143 1HD1 ILE 143 175.282 3.267 1.667 503 2HD1 ILE 143 2HD1 ILE 143 175.025 4.716 0.695 504 3HD1 ILE 143 3HD1 ILE 143 175.912 4.820 2.215 505 H GLU 144 H GLU 144 180.334 5.965 2.386 506 HA GLU 144 HA GLU 144 181.256 8.408 1.218 507 1HB GLU 144 2HB GLU 144 182.086 6.800 3.654 508 2HB GLU 144 1HB GLU 144 182.667 8.436 3.337 509 1HG GLU 144 2HG GLU 144 179.737 7.681 3.531 510 2HG GLU 144 1HG GLU 144 180.673 8.372 4.857 511 H ASP 145 H ASP 145 182.711 5.203 1.342 512 HA ASP 145 HA ASP 145 185.318 6.239 0.410 513 1HB ASP 145 2HB ASP 145 185.093 4.375 2.085 514 2HB ASP 145 1HB ASP 145 184.321 3.397 0.836 515 H VAL 146 H VAL 146 182.364 5.277 -1.010 516 HA VAL 146 HA VAL 146 183.658 4.476 -3.573 517 HB VAL 146 HB VAL 146 180.806 4.510 -2.516 518 1HG1 VAL 146 1HG1 VAL 146 180.930 4.993 -4.990 519 2HG1 VAL 146 2HG1 VAL 146 180.107 3.482 -4.600 520 3HG1 VAL 146 3HG1 VAL 146 181.768 3.454 -5.194 521 1HG2 VAL 146 1HG2 VAL 146 182.716 2.743 -1.929 522 2HG2 VAL 146 2HG2 VAL 146 182.241 2.078 -3.493 523 3HG2 VAL 146 3HG2 VAL 146 181.050 2.235 -2.202 524 H LEU 147 H LEU 147 181.517 6.894 -2.129 525 HA LEU 147 HA LEU 147 180.955 8.576 -4.355 526 1HB LEU 147 2HB LEU 147 181.432 9.126 -1.415 527 2HB LEU 147 1HB LEU 147 180.787 10.327 -2.535 528 HG LEU 147 HG LEU 147 179.541 7.599 -2.105 529 1HD1 LEU 147 1HD1 LEU 147 178.921 10.290 -0.858 530 2HD1 LEU 147 2HD1 LEU 147 179.347 8.797 -0.023 531 3HD1 LEU 147 3HD1 LEU 147 177.793 8.934 -0.847 532 1HD2 LEU 147 1HD2 LEU 147 178.947 10.017 -3.755 533 2HD2 LEU 147 2HD2 LEU 147 177.576 9.161 -3.050 534 3HD2 LEU 147 3HD2 LEU 147 178.685 8.312 -4.127 535 H ARG 148 H ARG 148 183.980 8.126 -2.674 536 HA ARG 148 HA ARG 148 185.277 10.597 -3.210 537 1HB ARG 148 2HB ARG 148 186.135 7.727 -2.890 538 2HB ARG 148 1HB ARG 148 187.331 8.968 -3.263 539 1HG ARG 148 2HG ARG 148 186.581 10.267 -1.289 540 2HG ARG 148 1HG ARG 148 185.429 8.989 -0.901 541 1HD ARG 148 2HD ARG 148 187.054 7.616 -0.057 542 2HD ARG 148 1HD ARG 148 188.220 8.072 -1.313 543 HE ARG 148 HE ARG 148 188.610 10.184 -0.058 544 1HH1 ARG 148 2HH1 ARG 148 186.188 10.231 1.653 545 2HH1 ARG 148 1HH1 ARG 148 186.789 9.670 3.178 546 1HH2 ARG 148 1HH2 ARG 148 189.699 8.341 1.843 547 2HH2 ARG 148 2HH2 ARG 148 188.776 8.600 3.285 548 H GLN 149 HN GLN 149 184.905 7.695 -5.245 549 HA GLN 149 HA GLN 149 185.639 9.340 -7.630 550 1HB GLN 149 2HB GLN 149 187.474 7.794 -6.472 551 2HB GLN 149 1HB GLN 149 186.642 6.528 -7.378 552 1HG GLN 149 2HG GLN 149 188.290 7.269 -8.887 553 2HG GLN 149 1HG GLN 149 186.850 8.149 -9.401 554 1HE2 GLN 149 1HE2 GLN 149 189.909 8.826 -9.383 555 2HE2 GLN 149 2HE2 GLN 149 189.952 10.380 -8.702 Start of MODEL 4 1 1H LYS 80 H LYS 80 177.432 14.250 -10.189 2 HA LYS 80 HA LYS 80 177.883 15.706 -8.335 3 1HB LYS 80 2HB LYS 80 175.951 17.393 -9.944 4 2HB LYS 80 1HB LYS 80 176.609 17.923 -8.396 5 1HG LYS 80 2HG LYS 80 178.900 17.674 -9.280 6 2HG LYS 80 1HG LYS 80 178.242 17.148 -10.831 7 1HD LYS 80 2HD LYS 80 177.095 19.307 -11.095 8 2HD LYS 80 1HD LYS 80 177.716 19.838 -9.532 9 1HE LYS 80 2HE LYS 80 180.059 19.471 -10.438 10 2HE LYS 80 1HE LYS 80 179.322 19.226 -12.034 11 1HZ LYS 80 1HZ LYS 80 178.346 21.358 -11.971 12 2HZ LYS 80 2HZ LYS 80 179.961 21.585 -11.497 13 3HZ LYS 80 3HZ LYS 80 178.725 21.580 -10.333 14 H ALA 81 H ALA 81 176.797 13.847 -7.301 15 HA ALA 81 HA ALA 81 173.971 14.356 -6.410 16 1HB ALA 81 1HB ALA 81 175.733 11.896 -6.589 17 2HB ALA 81 2HB ALA 81 174.336 12.273 -7.597 18 3HB ALA 81 3HB ALA 81 174.115 11.899 -5.887 19 H LYS 82 H LYS 82 173.534 14.049 -4.104 20 HA LYS 82 HA LYS 82 175.947 14.519 -2.385 21 1HB LYS 82 2HB LYS 82 173.014 15.239 -2.178 22 2HB LYS 82 1HB LYS 82 174.160 15.483 -0.858 23 1HG LYS 82 2HG LYS 82 175.563 16.880 -2.350 24 2HG LYS 82 1HG LYS 82 174.382 16.667 -3.642 25 1HD LYS 82 2HD LYS 82 172.669 17.790 -2.342 26 2HD LYS 82 1HD LYS 82 173.734 17.874 -0.938 27 1HE LYS 82 2HE LYS 82 173.779 20.044 -2.046 28 2HE LYS 82 1HE LYS 82 175.336 19.249 -2.356 29 1HZ LYS 82 1HZ LYS 82 174.575 18.491 -4.458 30 2HZ LYS 82 2HZ LYS 82 174.212 20.150 -4.383 31 3HZ LYS 82 3HZ LYS 82 172.986 18.998 -4.151 32 H THR 83 H THR 83 175.905 13.618 -0.274 33 HA THR 83 HA THR 83 175.598 10.826 -0.099 34 HB THR 83 HB THR 83 175.281 12.785 2.199 35 HG1 THR 83 HG1 THR 83 177.306 13.294 1.950 36 1HG2 THR 83 1HG2 THR 83 175.734 9.908 1.974 37 2HG2 THR 83 2HG2 THR 83 175.306 10.869 3.390 38 3HG2 THR 83 3HG2 THR 83 176.995 10.710 2.910 39 H GLU 84 H GLU 84 173.248 13.361 0.474 40 HA GLU 84 HA GLU 84 171.166 12.116 1.862 41 1HB GLU 84 2HB GLU 84 171.200 14.014 -0.506 42 2HB GLU 84 1HB GLU 84 169.735 13.663 0.422 43 1HG GLU 84 2HG GLU 84 170.853 14.436 2.485 44 2HG GLU 84 1HG GLU 84 172.312 14.790 1.561 45 H ASP 85 H ASP 85 171.969 11.787 -1.584 46 HA ASP 85 HA ASP 85 169.673 10.327 -2.464 47 1HB ASP 85 2HB ASP 85 171.760 11.368 -3.686 48 2HB ASP 85 1HB ASP 85 172.467 9.772 -3.437 49 H PHE 86 H PHE 86 172.823 9.096 -1.295 50 HA PHE 86 HA PHE 86 171.933 6.319 -1.285 51 1HB PHE 86 2HB PHE 86 174.329 7.892 -0.378 52 2HB PHE 86 1HB PHE 86 174.164 6.204 0.100 53 HD1 PHE 86 HD1 PHE 86 175.844 8.079 -2.139 54 HD2 PHE 86 HD2 PHE 86 173.016 4.842 -2.148 55 HE1 PHE 86 HE1 PHE 86 176.663 7.367 -4.369 56 HE2 PHE 86 HE2 PHE 86 173.837 4.132 -4.378 57 HZ PHE 86 HZ PHE 86 175.661 5.394 -5.488 58 H VAL 87 H VAL 87 172.327 8.847 1.220 59 HA VAL 87 HA VAL 87 171.976 7.274 3.520 60 HB VAL 87 HB VAL 87 171.031 10.094 2.907 61 1HG1 VAL 87 1HG1 VAL 87 171.931 9.401 5.636 62 2HG1 VAL 87 2HG1 VAL 87 170.414 8.644 5.156 63 3HG1 VAL 87 3HG1 VAL 87 170.573 10.399 5.117 64 1HG2 VAL 87 1HG2 VAL 87 173.196 10.776 3.178 65 2HG2 VAL 87 2HG2 VAL 87 173.582 9.111 2.747 66 3HG2 VAL 87 3HG2 VAL 87 173.517 9.591 4.442 67 H LYS 88 H LYS 88 169.431 9.113 1.770 68 HA LYS 88 HA LYS 88 167.189 8.156 3.239 69 1HB LYS 88 2HB LYS 88 167.288 10.102 1.668 70 2HB LYS 88 1HB LYS 88 167.359 8.968 0.320 71 1HG LYS 88 2HG LYS 88 165.183 8.055 0.906 72 2HG LYS 88 1HG LYS 88 165.120 9.051 2.361 73 1HD LYS 88 2HD LYS 88 165.409 10.267 -0.389 74 2HD LYS 88 1HD LYS 88 163.830 9.922 0.316 75 1HE LYS 88 2HE LYS 88 165.726 11.373 2.086 76 2HE LYS 88 1HE LYS 88 165.104 12.285 0.696 77 1HZ LYS 88 1HZ LYS 88 162.868 11.624 1.286 78 2HZ LYS 88 2HZ LYS 88 163.595 12.413 2.603 79 3HZ LYS 88 3HZ LYS 88 163.442 10.721 2.601 80 H ALA 89 H ALA 89 168.903 6.786 0.481 81 HA ALA 89 HA ALA 89 167.013 4.798 -0.326 82 1HB ALA 89 1HB ALA 89 169.980 5.212 -0.492 83 2HB ALA 89 2HB ALA 89 168.786 5.189 -1.787 84 3HB ALA 89 3HB ALA 89 169.295 3.680 -1.030 85 H PHE 90 H PHE 90 169.822 4.428 1.905 86 HA PHE 90 HA PHE 90 169.017 1.718 2.600 87 1HB PHE 90 2HB PHE 90 171.119 3.700 3.434 88 2HB PHE 90 1HB PHE 90 170.901 2.215 4.361 89 HD1 PHE 90 HD1 PHE 90 171.493 3.509 0.906 90 HD2 PHE 90 HD2 PHE 90 171.751 0.158 3.580 91 HE1 PHE 90 HE1 PHE 90 172.766 2.243 -0.804 92 HE2 PHE 90 HE2 PHE 90 173.023 -1.106 1.874 93 HZ PHE 90 HZ PHE 90 173.530 -0.065 -0.321 94 H GLN 91 H GLN 91 169.258 4.730 4.517 95 HA GLN 91 HA GLN 91 168.258 3.901 6.952 96 1HB GLN 91 2HB GLN 91 168.111 6.442 5.377 97 2HB GLN 91 1HB GLN 91 167.280 6.353 6.930 98 1HG GLN 91 2HG GLN 91 169.543 5.374 7.800 99 2HG GLN 91 1HG GLN 91 170.221 6.111 6.349 100 1HE2 GLN 91 1HE2 GLN 91 169.590 6.754 9.575 101 2HE2 GLN 91 2HE2 GLN 91 169.509 8.448 9.501 102 H VAL 92 H VAL 92 166.223 4.849 4.142 103 HA VAL 92 HA VAL 92 163.738 4.826 5.494 104 HB VAL 92 HB VAL 92 164.122 5.677 3.208 105 1HG1 VAL 92 1HG1 VAL 92 164.703 4.321 1.393 106 2HG1 VAL 92 2HG1 VAL 92 164.139 2.850 2.186 107 3HG1 VAL 92 3HG1 VAL 92 165.643 3.610 2.703 108 1HG2 VAL 92 1HG2 VAL 92 162.100 4.787 2.155 109 2HG2 VAL 92 2HG2 VAL 92 161.831 4.988 3.886 110 3HG2 VAL 92 3HG2 VAL 92 162.139 3.384 3.224 111 H PHE 93 H PHE 93 165.577 2.154 4.049 112 HA PHE 93 HA PHE 93 163.578 0.094 4.484 113 1HB PHE 93 2HB PHE 93 165.743 0.204 2.994 114 2HB PHE 93 1HB PHE 93 166.562 -0.352 4.452 115 HD1 PHE 93 HD1 PHE 93 165.013 -1.426 1.522 116 HD2 PHE 93 HD2 PHE 93 165.227 -2.347 5.708 117 HE1 PHE 93 HE1 PHE 93 164.265 -3.744 1.047 118 HE2 PHE 93 HE2 PHE 93 164.480 -4.666 5.237 119 HZ PHE 93 HZ PHE 93 163.999 -5.363 2.907 120 H ASP 94 H ASP 94 166.459 1.195 6.326 121 HA ASP 94 HA ASP 94 166.272 -0.673 8.482 122 1HB ASP 94 2HB ASP 94 167.294 2.183 8.349 123 2HB ASP 94 1HB ASP 94 167.664 1.043 9.644 124 H LYS 95 H LYS 95 163.913 -0.733 8.876 125 HA LYS 95 HA LYS 95 162.458 1.551 9.869 126 1HB LYS 95 2HB LYS 95 160.802 -0.174 10.491 127 2HB LYS 95 1HB LYS 95 161.442 -0.474 8.877 128 1HG LYS 95 2HG LYS 95 162.899 -2.212 9.690 129 2HG LYS 95 1HG LYS 95 162.544 -1.798 11.367 130 1HD LYS 95 2HD LYS 95 160.051 -2.270 10.635 131 2HD LYS 95 1HD LYS 95 160.824 -3.215 9.361 132 1HE LYS 95 2HE LYS 95 161.960 -4.610 10.969 133 2HE LYS 95 1HE LYS 95 161.470 -3.554 12.310 134 1HZ LYS 95 1HZ LYS 95 159.943 -5.383 12.185 135 2HZ LYS 95 2HZ LYS 95 159.674 -5.115 10.530 136 3HZ LYS 95 3HZ LYS 95 159.137 -3.981 11.675 137 H GLU 96 H GLU 96 164.836 -0.484 11.355 138 HA GLU 96 HA GLU 96 163.955 0.405 14.077 139 1HB GLU 96 2HB GLU 96 165.574 -1.942 13.052 140 2HB GLU 96 1HB GLU 96 165.483 -1.533 14.764 141 1HG GLU 96 2HG GLU 96 162.862 -1.509 14.228 142 2HG GLU 96 1HG GLU 96 163.372 -2.627 12.963 143 H SER 97 H SER 97 165.859 1.602 11.789 144 HA SER 97 HA SER 97 167.925 2.660 11.649 145 1HB SER 97 2HB SER 97 166.998 3.480 14.411 146 2HB SER 97 1HB SER 97 167.963 4.441 13.294 147 HG SER 97 HG SER 97 165.284 4.112 13.421 148 H THR 98 H THR 98 168.953 0.281 12.076 149 HA THR 98 HA THR 98 170.461 0.198 14.637 150 HB THR 98 HB THR 98 171.244 -1.993 13.564 151 HG1 THR 98 HG1 THR 98 169.878 -2.595 11.760 152 1HG2 THR 98 1HG2 THR 98 168.837 -2.969 13.653 153 2HG2 THR 98 2HG2 THR 98 168.356 -1.331 14.098 154 3HG2 THR 98 3HG2 THR 98 169.491 -2.224 15.111 155 H GLY 99 H GLY 99 170.968 0.700 11.177 156 1HA GLY 99 2HA GLY 99 172.716 2.123 10.300 157 2HA GLY 99 1HA GLY 99 173.626 1.872 11.786 158 H LYS 100 H LYS 100 172.340 -1.067 10.568 159 HA LYS 100 HA LYS 100 174.909 -1.657 9.147 160 1HB LYS 100 2HB LYS 100 173.417 -3.302 11.213 161 2HB LYS 100 1HB LYS 100 174.837 -3.859 10.328 162 1HG LYS 100 2HG LYS 100 176.000 -1.736 11.212 163 2HG LYS 100 1HG LYS 100 174.652 -1.619 12.344 164 1HD LYS 100 2HD LYS 100 175.140 -4.002 13.033 165 2HD LYS 100 1HD LYS 100 176.609 -3.911 12.059 166 1HE LYS 100 2HE LYS 100 177.439 -2.046 13.413 167 2HE LYS 100 1HE LYS 100 175.933 -2.030 14.350 168 1HZ LYS 100 1HZ LYS 100 177.504 -3.356 15.535 169 2HZ LYS 100 2HZ LYS 100 177.894 -4.251 14.144 170 3HZ LYS 100 3HZ LYS 100 176.361 -4.411 14.858 171 H VAL 101 H VAL 101 174.694 -3.361 7.504 172 HA VAL 101 HA VAL 101 171.986 -4.411 6.957 173 HB VAL 101 HB VAL 101 172.068 -3.492 4.618 174 1HG1 VAL 101 1HG1 VAL 101 171.325 -1.317 5.206 175 2HG1 VAL 101 2HG1 VAL 101 172.392 -1.242 6.607 176 3HG1 VAL 101 3HG1 VAL 101 170.984 -2.304 6.627 177 1HG2 VAL 101 1HG2 VAL 101 173.720 -1.775 4.070 178 2HG2 VAL 101 2HG2 VAL 101 174.556 -3.254 4.542 179 3HG2 VAL 101 3HG2 VAL 101 174.435 -1.910 5.676 180 H SER 102 H SER 102 172.040 -6.095 5.248 181 HA SER 102 HA SER 102 174.517 -7.697 5.353 182 1HB SER 102 2HB SER 102 172.961 -9.252 4.052 183 2HB SER 102 1HB SER 102 172.435 -8.811 5.672 184 HG SER 102 HG SER 102 170.692 -8.216 4.639 185 H VAL 103 H VAL 103 175.774 -8.221 3.494 186 HA VAL 103 HA VAL 103 176.111 -6.292 1.443 187 HB VAL 103 HB VAL 103 176.737 -9.266 1.487 188 1HG1 VAL 103 1HG1 VAL 103 178.640 -8.477 -0.048 189 2HG1 VAL 103 2HG1 VAL 103 177.711 -6.992 -0.255 190 3HG1 VAL 103 3HG1 VAL 103 177.029 -8.537 -0.763 191 1HG2 VAL 103 1HG2 VAL 103 178.580 -8.777 2.755 192 2HG2 VAL 103 2HG2 VAL 103 177.595 -7.407 3.266 193 3HG2 VAL 103 3HG2 VAL 103 178.809 -7.199 2.002 194 H GLY 104 H GLY 104 174.175 -9.317 1.418 195 1HA GLY 104 2HA GLY 104 173.471 -9.312 -1.320 196 2HA GLY 104 1HA GLY 104 172.492 -10.022 -0.040 197 H ASP 105 H ASP 105 171.922 -7.670 1.434 198 HA ASP 105 HA ASP 105 169.791 -6.531 -0.226 199 1HB ASP 105 2HB ASP 105 169.650 -7.182 2.217 200 2HB ASP 105 1HB ASP 105 170.702 -5.812 2.576 201 H LEU 106 H LEU 106 172.743 -5.328 1.376 202 HA LEU 106 HA LEU 106 172.507 -2.582 0.664 203 1HB LEU 106 2HB LEU 106 174.085 -3.532 2.313 204 2HB LEU 106 1HB LEU 106 174.954 -4.350 1.016 205 HG LEU 106 HG LEU 106 174.574 -1.424 0.678 206 1HD1 LEU 106 1HD1 LEU 106 176.793 -1.275 2.141 207 2HD1 LEU 106 2HD1 LEU 106 176.068 -2.661 2.956 208 3HD1 LEU 106 3HD1 LEU 106 175.203 -1.126 2.887 209 1HD2 LEU 106 1HD2 LEU 106 177.133 -1.849 0.158 210 2HD2 LEU 106 2HD2 LEU 106 175.898 -2.363 -0.990 211 3HD2 LEU 106 3HD2 LEU 106 176.625 -3.536 0.106 212 H ARG 107 H ARG 107 174.279 -5.217 -1.014 213 HA ARG 107 HA ARG 107 175.110 -3.626 -3.245 214 1HB ARG 107 2HB ARG 107 175.865 -5.962 -2.380 215 2HB ARG 107 1HB ARG 107 174.519 -6.591 -3.331 216 1HG ARG 107 2HG ARG 107 175.443 -5.485 -5.350 217 2HG ARG 107 1HG ARG 107 176.810 -4.906 -4.394 218 1HD ARG 107 2HD ARG 107 177.497 -6.943 -5.545 219 2HD ARG 107 1HD ARG 107 177.317 -7.326 -3.821 220 HE ARG 107 HE ARG 107 175.197 -8.403 -4.318 221 1HH1 ARG 107 1HH2 ARG 107 177.401 -8.691 -6.720 222 2HH1 ARG 107 2HH2 ARG 107 176.278 -8.915 -8.020 223 1HH2 ARG 107 2HH1 ARG 107 173.507 -8.027 -6.133 224 2HH2 ARG 107 1HH1 ARG 107 174.074 -8.540 -7.687 225 H TYR 108 H TYR 108 172.125 -5.410 -2.593 226 HA TYR 108 HA TYR 108 171.108 -5.317 -5.293 227 1HB TYR 108 2HB TYR 108 170.348 -6.824 -3.425 228 2HB TYR 108 1HB TYR 108 169.611 -5.422 -2.649 229 HD1 TYR 108 HD1 TYR 108 169.575 -7.482 -5.755 230 HD2 TYR 108 HD2 TYR 108 167.490 -4.609 -3.337 231 HE1 TYR 108 HE1 TYR 108 167.556 -7.759 -7.168 232 HE2 TYR 108 HE2 TYR 108 165.470 -4.886 -4.749 233 HH TYR 108 HH TYR 108 165.212 -5.749 -7.437 234 H MET 109 H MET 109 170.490 -3.204 -2.452 235 HA MET 109 HA MET 109 168.719 -1.449 -3.819 236 1HB MET 109 2HB MET 109 170.346 -1.479 -1.339 237 2HB MET 109 1HB MET 109 169.825 0.113 -1.889 238 1HG MET 109 2HG MET 109 167.562 -1.547 -2.182 239 2HG MET 109 1HG MET 109 168.276 -2.003 -0.637 240 1HE MET 109 1HE MET 109 167.961 0.761 -2.941 241 2HE MET 109 2HE MET 109 168.443 2.098 -1.902 242 3HE MET 109 3HE MET 109 166.738 1.847 -2.268 243 H LEU 110 H LEU 110 172.267 -1.351 -3.385 244 HA LEU 110 HA LEU 110 172.781 1.205 -4.529 245 1HB LEU 110 2HB LEU 110 174.199 -1.202 -3.795 246 2HB LEU 110 1HB LEU 110 174.782 -0.667 -5.370 247 HG LEU 110 HG LEU 110 174.943 1.679 -4.315 248 1HD1 LEU 110 1HD1 LEU 110 173.631 0.552 -2.233 249 2HD1 LEU 110 2HD1 LEU 110 174.699 1.944 -2.052 250 3HD1 LEU 110 3HD1 LEU 110 175.294 0.323 -1.692 251 1HD2 LEU 110 1HD2 LEU 110 177.173 1.273 -3.953 252 2HD2 LEU 110 2HD2 LEU 110 176.767 -0.294 -4.652 253 3HD2 LEU 110 3HD2 LEU 110 176.858 -0.106 -2.901 254 H THR 111 H THR 111 172.444 -1.988 -6.023 255 HA THR 111 HA THR 111 172.842 -1.260 -8.760 256 HB THR 111 HB THR 111 171.021 -3.370 -7.555 257 HG1 THR 111 HG1 THR 111 172.793 -4.568 -7.333 258 1HG2 THR 111 1HG2 THR 111 170.604 -3.204 -9.906 259 2HG2 THR 111 2HG2 THR 111 171.682 -4.584 -9.692 260 3HG2 THR 111 3HG2 THR 111 172.324 -3.044 -10.265 261 H GLY 112 H GLY 112 170.078 -0.979 -6.628 262 1HA GLY 112 2HA GLY 112 168.244 -0.175 -8.792 263 2HA GLY 112 1HA GLY 112 167.829 -0.335 -7.086 264 H LEU 113 H LEU 113 170.514 1.313 -6.687 265 HA LEU 113 HA LEU 113 169.134 3.921 -6.589 266 1HB LEU 113 2HB LEU 113 170.728 2.454 -4.895 267 2HB LEU 113 1HB LEU 113 171.883 3.601 -5.566 268 HG LEU 113 HG LEU 113 170.886 4.536 -3.545 269 1HD1 LEU 113 1HD1 LEU 113 169.879 6.617 -4.499 270 2HD1 LEU 113 2HD1 LEU 113 169.828 5.830 -6.075 271 3HD1 LEU 113 3HD1 LEU 113 171.379 6.150 -5.300 272 1HD2 LEU 113 1HD2 LEU 113 168.409 3.524 -4.814 273 2HD2 LEU 113 2HD2 LEU 113 168.261 5.093 -4.025 274 3HD2 LEU 113 3HD2 LEU 113 168.816 3.693 -3.109 275 H GLY 114 H GLY 114 170.910 2.496 -9.002 276 1HA GLY 114 2HA GLY 114 171.687 3.817 -10.906 277 2HA GLY 114 1HA GLY 114 172.120 5.109 -9.783 278 H GLU 115 H GLU 115 172.787 1.746 -9.226 279 HA GLU 115 HA GLU 115 175.742 2.297 -9.451 280 1HB GLU 115 2HB GLU 115 174.565 1.726 -7.192 281 2HB GLU 115 1HB GLU 115 174.513 0.082 -7.830 282 1HG GLU 115 2HG GLU 115 176.547 0.279 -6.556 283 2HG GLU 115 1HG GLU 115 176.997 0.266 -8.262 284 H LYS 116 H LYS 116 176.632 1.257 -11.210 285 HA LYS 116 HA LYS 116 175.469 -1.383 -11.951 286 1HB LYS 116 2HB LYS 116 176.505 0.858 -13.733 287 2HB LYS 116 1HB LYS 116 176.094 -0.748 -14.336 288 1HG LYS 116 2HG LYS 116 173.785 -0.472 -13.511 289 2HG LYS 116 1HG LYS 116 174.192 1.135 -12.911 290 1HD LYS 116 2HD LYS 116 174.747 1.856 -15.205 291 2HD LYS 116 1HD LYS 116 174.335 0.250 -15.808 292 1HE LYS 116 2HE LYS 116 172.018 0.517 -15.137 293 2HE LYS 116 1HE LYS 116 172.389 2.046 -14.316 294 1HZ LYS 116 1HZ LYS 116 173.239 2.884 -16.466 295 2HZ LYS 116 2HZ LYS 116 171.575 2.538 -16.504 296 3HZ LYS 116 3HZ LYS 116 172.685 1.467 -17.215 297 H LEU 117 H LEU 117 177.234 -1.649 -10.190 298 HA LEU 117 HA LEU 117 179.969 -1.907 -11.316 299 1HB LEU 117 2HB LEU 117 178.708 -2.365 -8.588 300 2HB LEU 117 1HB LEU 117 180.426 -2.563 -8.934 301 HG LEU 117 HG LEU 117 178.913 0.008 -9.445 302 1HD1 LEU 117 1HD1 LEU 117 178.854 -0.193 -7.094 303 2HD1 LEU 117 2HD1 LEU 117 180.320 0.742 -7.389 304 3HD1 LEU 117 3HD1 LEU 117 180.430 -0.982 -7.032 305 1HD2 LEU 117 1HD2 LEU 117 181.379 0.829 -9.311 306 2HD2 LEU 117 2HD2 LEU 117 180.866 -0.013 -10.773 307 3HD2 LEU 117 3HD2 LEU 117 181.799 -0.867 -9.545 308 H THR 118 H THR 118 180.941 -4.027 -11.496 309 HA THR 118 HA THR 118 178.956 -6.272 -11.559 310 HB THR 118 HB THR 118 181.609 -6.150 -12.976 311 HG1 THR 118 HG1 THR 118 179.115 -5.233 -13.955 312 1HG2 THR 118 1HG2 THR 118 180.049 -7.506 -14.618 313 2HG2 THR 118 2HG2 THR 118 179.082 -7.743 -13.162 314 3HG2 THR 118 3HG2 THR 118 180.757 -8.295 -13.209 315 H ASP 119 H ASP 119 179.520 -8.216 -10.404 316 HA ASP 119 HA ASP 119 180.918 -8.255 -8.081 317 1HB ASP 119 2HB ASP 119 179.568 -10.064 -9.238 318 2HB ASP 119 1HB ASP 119 181.044 -10.511 -10.091 319 H ALA 120 H ALA 120 182.476 -8.344 -11.253 320 HA ALA 120 HA ALA 120 185.106 -9.223 -10.463 321 1HB ALA 120 1HB ALA 120 183.864 -8.658 -12.782 322 2HB ALA 120 2HB ALA 120 185.622 -8.633 -12.638 323 3HB ALA 120 3HB ALA 120 184.708 -7.126 -12.553 324 H GLU 121 H GLU 121 183.766 -5.917 -10.909 325 HA GLU 121 HA GLU 121 186.080 -4.626 -9.686 326 1HB GLU 121 2HB GLU 121 183.328 -3.799 -10.622 327 2HB GLU 121 1HB GLU 121 184.418 -2.650 -9.850 328 1HG GLU 121 2HG GLU 121 186.146 -3.151 -11.548 329 2HG GLU 121 1HG GLU 121 185.038 -4.278 -12.331 330 H VAL 122 H VAL 122 182.733 -5.331 -8.671 331 HA VAL 122 HA VAL 122 182.783 -4.062 -6.101 332 HB VAL 122 HB VAL 122 181.324 -6.559 -7.045 333 1HG1 VAL 122 1HG1 VAL 122 179.605 -5.486 -5.348 334 2HG1 VAL 122 2HG1 VAL 122 181.053 -4.743 -4.666 335 3HG1 VAL 122 3HG1 VAL 122 180.919 -6.500 -4.747 336 1HG2 VAL 122 1HG2 VAL 122 180.830 -4.777 -8.575 337 2HG2 VAL 122 2HG2 VAL 122 180.702 -3.604 -7.264 338 3HG2 VAL 122 3HG2 VAL 122 179.471 -4.852 -7.453 339 H ASP 123 H ASP 123 183.900 -7.288 -7.121 340 HA ASP 123 HA ASP 123 184.337 -8.303 -4.470 341 1HB ASP 123 2HB ASP 123 184.249 -9.687 -6.528 342 2HB ASP 123 1HB ASP 123 185.727 -8.919 -7.108 343 H GLU 124 H GLU 124 186.356 -6.404 -6.686 344 HA GLU 124 HA GLU 124 188.822 -6.469 -5.235 345 1HB GLU 124 2HB GLU 124 187.488 -4.400 -7.005 346 2HB GLU 124 1HB GLU 124 189.155 -4.263 -6.451 347 1HG GLU 124 2HG GLU 124 188.081 -6.659 -7.961 348 2HG GLU 124 1HG GLU 124 188.921 -5.311 -8.730 349 H LEU 125 H LEU 125 186.088 -4.170 -5.072 350 HA LEU 125 HA LEU 125 187.116 -2.457 -3.035 351 1HB LEU 125 2HB LEU 125 184.554 -3.110 -4.342 352 2HB LEU 125 1HB LEU 125 184.376 -2.461 -2.714 353 HG LEU 125 HG LEU 125 184.362 -0.655 -4.394 354 1HD1 LEU 125 1HD1 LEU 125 187.025 -0.279 -3.128 355 2HD1 LEU 125 2HD1 LEU 125 185.684 -0.645 -2.041 356 3HD1 LEU 125 3HD1 LEU 125 185.604 0.766 -3.097 357 1HD2 LEU 125 1HD2 LEU 125 185.866 -1.922 -6.011 358 2HD2 LEU 125 2HD2 LEU 125 187.226 -1.438 -4.999 359 3HD2 LEU 125 3HD2 LEU 125 186.252 -0.213 -5.812 360 H LEU 126 H LEU 126 184.896 -5.242 -2.808 361 HA LEU 126 HA LEU 126 184.575 -5.325 0.020 362 1HB LEU 126 2HB LEU 126 184.453 -7.352 -2.212 363 2HB LEU 126 1HB LEU 126 184.071 -7.788 -0.546 364 HG LEU 126 HG LEU 126 182.773 -5.427 -1.913 365 1HD1 LEU 126 1HD1 LEU 126 182.342 -7.504 -3.222 366 2HD1 LEU 126 2HD1 LEU 126 180.883 -6.886 -2.447 367 3HD1 LEU 126 3HD1 LEU 126 181.728 -8.271 -1.758 368 1HD2 LEU 126 1HD2 LEU 126 182.823 -6.135 0.707 369 2HD2 LEU 126 2HD2 LEU 126 181.431 -7.075 0.168 370 3HD2 LEU 126 3HD2 LEU 126 181.448 -5.325 -0.043 371 H LYS 127 H LYS 127 187.273 -6.267 -1.985 372 HA LYS 127 HA LYS 127 188.485 -8.323 -0.520 373 1HB LYS 127 2HB LYS 127 189.129 -7.369 -2.741 374 2HB LYS 127 1HB LYS 127 189.852 -5.998 -1.898 375 1HG LYS 127 2HG LYS 127 191.509 -7.341 -0.883 376 2HG LYS 127 1HG LYS 127 190.623 -8.832 -1.210 377 1HD LYS 127 2HD LYS 127 190.924 -8.023 -3.736 378 2HD LYS 127 1HD LYS 127 192.320 -7.194 -3.044 379 1HE LYS 127 2HE LYS 127 191.912 -10.057 -2.275 380 2HE LYS 127 1HE LYS 127 192.518 -9.718 -3.908 381 1HZ LYS 127 1HZ LYS 127 194.306 -9.852 -2.223 382 2HZ LYS 127 2HZ LYS 127 193.623 -8.516 -1.426 383 3HZ LYS 127 3HZ LYS 127 194.240 -8.346 -2.999 384 H GLY 128 H GLY 128 188.209 -4.921 0.290 385 1HA GLY 128 2HA GLY 128 190.125 -5.292 2.554 386 2HA GLY 128 1HA GLY 128 189.794 -3.736 1.795 387 H VAL 129 H VAL 129 186.801 -4.842 1.762 388 HA VAL 129 HA VAL 129 185.959 -3.378 4.113 389 HB VAL 129 HB VAL 129 184.501 -5.347 2.306 390 1HG1 VAL 129 1HG1 VAL 129 182.460 -4.307 3.096 391 2HG1 VAL 129 2HG1 VAL 129 183.373 -3.134 4.046 392 3HG1 VAL 129 3HG1 VAL 129 183.381 -4.836 4.505 393 1HG2 VAL 129 1HG2 VAL 129 184.451 -2.327 2.171 394 2HG2 VAL 129 2HG2 VAL 129 183.906 -3.482 0.955 395 3HG2 VAL 129 3HG2 VAL 129 185.630 -3.279 1.268 396 H GLU 130 H GLU 130 185.857 -4.024 6.112 397 HA GLU 130 HA GLU 130 186.388 -6.842 6.880 398 1HB GLU 130 2HB GLU 130 187.535 -4.864 7.880 399 2HB GLU 130 1HB GLU 130 185.979 -4.308 8.495 400 1HG GLU 130 2HG GLU 130 185.737 -6.405 9.782 401 2HG GLU 130 1HG GLU 130 187.297 -6.957 9.171 402 H VAL 131 H VAL 131 184.492 -8.011 6.553 403 HA VAL 131 HA VAL 131 181.888 -7.038 7.531 404 HB VAL 131 HB VAL 131 182.138 -8.383 5.469 405 1HG1 VAL 131 1HG1 VAL 131 182.582 -10.983 6.265 406 2HG1 VAL 131 2HG1 VAL 131 183.705 -10.093 7.291 407 3HG1 VAL 131 3HG1 VAL 131 183.798 -9.933 5.539 408 1HG2 VAL 131 1HG2 VAL 131 180.162 -8.598 7.183 409 2HG2 VAL 131 2HG2 VAL 131 180.817 -10.213 7.447 410 3HG2 VAL 131 3HG2 VAL 131 180.274 -9.733 5.840 411 H ASP 132 H ASP 132 180.725 -8.145 9.272 412 HA ASP 132 HA ASP 132 182.554 -9.117 11.399 413 1HB ASP 132 2HB ASP 132 179.684 -8.160 11.277 414 2HB ASP 132 1HB ASP 132 180.433 -8.755 12.759 415 H SER 133 H SER 133 181.184 -10.728 12.914 416 HA SER 133 HA SER 133 181.012 -13.244 11.491 417 1HB SER 133 2HB SER 133 180.586 -12.229 14.279 418 2HB SER 133 1HB SER 133 180.065 -13.863 13.881 419 HG SER 133 HG SER 133 182.366 -13.393 14.623 420 H ASN 134 H ASN 134 178.726 -10.772 11.591 421 HA ASN 134 HA ASN 134 176.405 -12.661 11.526 422 1HB ASN 134 2HB ASN 134 176.719 -10.494 13.045 423 2HB ASN 134 1HB ASN 134 176.188 -9.672 11.577 424 1HD2 ASN 134 1HD2 ASN 134 174.973 -10.926 14.396 425 2HD2 ASN 134 2HD2 ASN 134 173.410 -11.338 13.876 426 H GLY 135 H GLY 135 178.461 -10.777 9.513 427 1HA GLY 135 2HA GLY 135 178.411 -10.764 7.135 428 2HA GLY 135 1HA GLY 135 176.769 -11.404 7.190 429 H GLU 136 H GLU 136 177.650 -8.635 9.126 430 HA GLU 136 HA GLU 136 175.894 -6.939 7.384 431 1HB GLU 136 2HB GLU 136 176.542 -6.961 10.344 432 2HB GLU 136 1HB GLU 136 175.623 -5.667 9.575 433 1HG GLU 136 2HG GLU 136 173.930 -7.262 8.829 434 2HG GLU 136 1HG GLU 136 174.869 -8.603 9.484 435 H ILE 137 H ILE 137 176.712 -5.070 6.560 436 HA ILE 137 HA ILE 137 179.419 -4.166 7.486 437 HB ILE 137 HB ILE 137 178.234 -4.421 4.706 438 1HG1 ILE 137 2HG1 ILE 137 180.535 -5.650 4.480 439 2HG1 ILE 137 1HG1 ILE 137 180.489 -5.698 6.241 440 1HG2 ILE 137 1HG2 ILE 137 180.722 -3.587 4.177 441 2HG2 ILE 137 2HG2 ILE 137 180.497 -2.746 5.711 442 3HG2 ILE 137 3HG2 ILE 137 179.391 -2.444 4.372 443 1HD1 ILE 137 1HD1 ILE 137 178.913 -7.319 6.253 444 2HD1 ILE 137 2HD1 ILE 137 179.304 -7.542 4.552 445 3HD1 ILE 137 3HD1 ILE 137 177.951 -6.510 5.016 446 H ASP 138 H ASP 138 179.640 -1.962 7.751 447 HA ASP 138 HA ASP 138 177.272 -0.387 8.171 448 1HB ASP 138 2HB ASP 138 178.959 1.410 8.631 449 2HB ASP 138 1HB ASP 138 179.301 -0.097 9.474 450 H TYR 139 H TYR 139 176.067 0.268 6.390 451 HA TYR 139 HA TYR 139 177.060 0.617 3.734 452 1HB TYR 139 2HB TYR 139 174.836 1.453 3.294 453 2HB TYR 139 1HB TYR 139 174.745 0.096 4.409 454 HD1 TYR 139 HD1 TYR 139 174.339 3.729 4.015 455 HD2 TYR 139 HD2 TYR 139 174.118 0.428 6.755 456 HE1 TYR 139 HE1 TYR 139 173.065 5.136 5.610 457 HE2 TYR 139 HE2 TYR 139 172.852 1.837 8.350 458 HH TYR 139 HH TYR 139 171.411 4.724 7.509 459 H LYS 140 H LYS 140 176.516 2.994 6.352 460 HA LYS 140 HA LYS 140 176.776 5.384 4.862 461 1HB LYS 140 2HB LYS 140 177.407 4.580 7.703 462 2HB LYS 140 1HB LYS 140 177.589 6.247 7.159 463 1HG LYS 140 2HG LYS 140 175.136 5.841 6.217 464 2HG LYS 140 1HG LYS 140 175.105 4.623 7.492 465 1HD LYS 140 2HD LYS 140 175.243 6.181 9.184 466 2HD LYS 140 1HD LYS 140 176.160 7.322 8.199 467 1HE LYS 140 2HE LYS 140 174.131 7.876 6.912 468 2HE LYS 140 1HE LYS 140 173.199 6.711 7.874 469 1HZ LYS 140 1HZ LYS 140 173.103 9.031 8.736 470 2HZ LYS 140 2HZ LYS 140 174.771 8.941 9.045 471 3HZ LYS 140 3HZ LYS 140 173.697 7.906 9.858 472 H LYS 141 H LYS 141 179.276 3.229 6.129 473 HA LYS 141 HA LYS 141 181.451 5.135 5.619 474 1HB LYS 141 2HB LYS 141 181.347 2.220 6.418 475 2HB LYS 141 1HB LYS 141 182.824 3.179 6.370 476 1HG LYS 141 2HG LYS 141 181.261 4.826 7.844 477 2HG LYS 141 1HG LYS 141 180.574 3.269 8.307 478 1HD LYS 141 2HD LYS 141 182.295 3.443 9.856 479 2HD LYS 141 1HD LYS 141 183.124 2.586 8.554 480 1HE LYS 141 2HE LYS 141 184.641 4.314 8.911 481 2HE LYS 141 1HE LYS 141 183.585 5.100 7.721 482 1HZ LYS 141 1HZ LYS 141 182.306 6.080 9.446 483 2HZ LYS 141 2HZ LYS 141 183.935 6.403 9.808 484 3HZ LYS 141 3HZ LYS 141 183.099 5.183 10.647 485 H PHE 142 H PHE 142 180.210 2.177 4.060 486 HA PHE 142 HA PHE 142 182.368 1.969 2.179 487 1HB PHE 142 2HB PHE 142 180.732 0.175 2.936 488 2HB PHE 142 1HB PHE 142 179.522 0.942 1.907 489 HD1 PHE 142 HD1 PHE 142 179.204 -0.182 -0.101 490 HD2 PHE 142 HD2 PHE 142 183.164 0.086 1.545 491 HE1 PHE 142 HE1 PHE 142 180.105 -1.407 -2.064 492 HE2 PHE 142 HE2 PHE 142 184.063 -1.136 -0.417 493 HZ PHE 142 HZ PHE 142 182.533 -1.883 -2.220 494 H ILE 143 H ILE 143 179.352 3.766 2.195 495 HA ILE 143 HA ILE 143 179.463 4.433 -0.675 496 HB ILE 143 HB ILE 143 177.794 5.413 1.670 497 1HG1 ILE 143 2HG1 ILE 143 177.058 3.450 -0.518 498 2HG1 ILE 143 1HG1 ILE 143 177.636 2.955 1.074 499 1HG2 ILE 143 1HG2 ILE 143 177.688 5.913 -1.293 500 2HG2 ILE 143 2HG2 ILE 143 177.531 7.065 0.032 501 3HG2 ILE 143 3HG2 ILE 143 176.211 5.954 -0.331 502 1HD1 ILE 143 1HD1 ILE 143 175.710 4.671 1.841 503 2HD1 ILE 143 2HD1 ILE 143 175.386 2.964 1.538 504 3HD1 ILE 143 3HD1 ILE 143 175.029 4.162 0.295 505 H GLU 144 H GLU 144 179.839 6.229 2.402 506 HA GLU 144 HA GLU 144 180.591 8.735 1.232 507 1HB GLU 144 2HB GLU 144 181.150 7.398 3.893 508 2HB GLU 144 1HB GLU 144 181.539 9.088 3.562 509 1HG GLU 144 2HG GLU 144 179.173 9.538 3.036 510 2HG GLU 144 1HG GLU 144 178.776 7.851 3.359 511 H ASP 145 H ASP 145 182.472 5.816 1.855 512 HA ASP 145 HA ASP 145 185.010 7.258 1.422 513 1HB ASP 145 2HB ASP 145 184.536 5.315 3.082 514 2HB ASP 145 1HB ASP 145 184.621 4.269 1.663 515 H VAL 146 H VAL 146 182.689 5.625 -0.532 516 HA VAL 146 HA VAL 146 184.686 5.122 -2.689 517 HB VAL 146 HB VAL 146 181.740 4.469 -2.314 518 1HG1 VAL 146 1HG1 VAL 146 182.438 2.907 -4.371 519 2HG1 VAL 146 2HG1 VAL 146 183.548 4.240 -4.685 520 3HG1 VAL 146 3HG1 VAL 146 181.810 4.536 -4.625 521 1HG2 VAL 146 1HG2 VAL 146 183.564 3.229 -1.000 522 2HG2 VAL 146 2HG2 VAL 146 184.097 2.591 -2.555 523 3HG2 VAL 146 3HG2 VAL 146 182.477 2.229 -1.963 524 H LEU 147 H LEU 147 181.747 6.965 -1.963 525 HA LEU 147 HA LEU 147 181.497 8.381 -4.468 526 1HB LEU 147 2HB LEU 147 180.501 8.569 -1.664 527 2HB LEU 147 1HB LEU 147 180.366 10.021 -2.653 528 HG LEU 147 HG LEU 147 178.328 8.633 -2.811 529 1HD1 LEU 147 1HD1 LEU 147 178.203 9.527 -4.869 530 2HD1 LEU 147 2HD1 LEU 147 179.021 8.101 -5.506 531 3HD1 LEU 147 3HD1 LEU 147 179.958 9.516 -5.028 532 1HD2 LEU 147 1HD2 LEU 147 179.476 6.443 -2.423 533 2HD2 LEU 147 2HD2 LEU 147 180.148 6.543 -4.050 534 3HD2 LEU 147 3HD2 LEU 147 178.404 6.413 -3.823 535 H ARG 148 H ARG 148 183.801 8.757 -1.925 536 HA ARG 148 HA ARG 148 184.346 11.550 -2.060 537 1HB ARG 148 2HB ARG 148 185.754 9.041 -1.295 538 2HB ARG 148 1HB ARG 148 186.767 10.461 -1.558 539 1HG ARG 148 2HG ARG 148 185.491 11.743 0.060 540 2HG ARG 148 1HG ARG 148 184.328 10.428 0.240 541 1HD ARG 148 2HD ARG 148 185.967 9.003 1.282 542 2HD ARG 148 1HD ARG 148 187.282 10.122 0.871 543 HE ARG 148 HE ARG 148 185.086 10.767 2.802 544 1HH1 ARG 148 1HH2 ARG 148 188.073 10.116 3.425 545 2HH1 ARG 148 2HH2 ARG 148 188.657 11.710 3.768 546 1HH2 ARG 148 2HH1 ARG 148 185.898 13.304 2.400 547 2HH2 ARG 148 1HH1 ARG 148 187.426 13.514 3.188 548 H GLN 149 HN GLN 149 185.247 8.874 -4.188 549 HA GLN 149 HA GLN 149 186.376 8.823 -6.262 550 1HB GLN 149 2HB GLN 149 185.264 11.646 -6.182 551 2HB GLN 149 1HB GLN 149 185.914 10.886 -7.634 552 1HG GLN 149 2HG GLN 149 183.686 9.658 -5.996 553 2HG GLN 149 1HG GLN 149 183.390 10.727 -7.368 554 1HE2 GLN 149 1HE2 GLN 149 183.923 7.468 -6.507 555 2HE2 GLN 149 2HE2 GLN 149 184.264 6.867 -8.057 Start of MODEL 5 1 1H LYS 80 H LYS 80 178.026 16.408 -7.764 2 HA LYS 80 HA LYS 80 176.195 17.478 -8.898 3 1HB LYS 80 2HB LYS 80 176.872 15.785 -10.728 4 2HB LYS 80 1HB LYS 80 175.596 14.759 -10.072 5 1HG LYS 80 2HG LYS 80 173.903 16.213 -10.717 6 2HG LYS 80 1HG LYS 80 174.964 17.622 -10.696 7 1HD LYS 80 2HD LYS 80 174.731 17.277 -12.987 8 2HD LYS 80 1HD LYS 80 176.195 16.353 -12.652 9 1HE LYS 80 2HE LYS 80 175.131 14.312 -12.920 10 2HE LYS 80 1HE LYS 80 173.561 14.946 -12.385 11 1HZ LYS 80 1HZ LYS 80 173.575 16.352 -14.422 12 2HZ LYS 80 2HZ LYS 80 173.457 14.687 -14.737 13 3HZ LYS 80 3HZ LYS 80 174.935 15.495 -14.960 14 H ALA 81 H ALA 81 175.954 14.335 -7.365 15 HA ALA 81 HA ALA 81 173.163 14.883 -6.416 16 1HB ALA 81 1HB ALA 81 173.030 12.529 -6.183 17 2HB ALA 81 2HB ALA 81 174.785 12.349 -6.180 18 3HB ALA 81 3HB ALA 81 173.944 12.768 -7.672 19 H LYS 82 H LYS 82 172.740 14.414 -4.094 20 HA LYS 82 HA LYS 82 175.117 15.058 -2.371 21 1HB LYS 82 2HB LYS 82 172.127 15.449 -2.039 22 2HB LYS 82 1HB LYS 82 173.341 15.917 -0.847 23 1HG LYS 82 2HG LYS 82 174.395 17.414 -2.501 24 2HG LYS 82 1HG LYS 82 173.181 16.952 -3.694 25 1HD LYS 82 2HD LYS 82 171.401 17.837 -2.232 26 2HD LYS 82 1HD LYS 82 172.613 18.302 -1.037 27 1HE LYS 82 2HE LYS 82 173.692 19.580 -3.105 28 2HE LYS 82 1HE LYS 82 172.024 19.531 -3.708 29 1HZ LYS 82 1HZ LYS 82 172.954 20.574 -1.087 30 2HZ LYS 82 2HZ LYS 82 171.318 20.320 -1.472 31 3HZ LYS 82 3HZ LYS 82 172.232 21.458 -2.343 32 H THR 83 H THR 83 175.153 14.127 -0.280 33 HA THR 83 HA THR 83 175.122 11.313 -0.133 34 HB THR 83 HB THR 83 174.532 13.125 2.218 35 HG1 THR 83 HG1 THR 83 176.949 12.766 0.783 36 1HG2 THR 83 1HG2 THR 83 175.431 11.463 3.496 37 2HG2 THR 83 2HG2 THR 83 176.631 11.037 2.276 38 3HG2 THR 83 3HG2 THR 83 174.976 10.449 2.127 39 H GLU 84 H GLU 84 172.527 13.596 0.454 40 HA GLU 84 HA GLU 84 170.584 12.073 1.789 41 1HB GLU 84 2HB GLU 84 170.425 14.113 -0.454 42 2HB GLU 84 1HB GLU 84 169.004 13.564 0.447 43 1HG GLU 84 2HG GLU 84 170.033 14.318 2.555 44 2HG GLU 84 1HG GLU 84 171.464 14.850 1.672 45 H ASP 85 H ASP 85 171.439 12.014 -1.655 46 HA ASP 85 HA ASP 85 169.263 10.427 -2.611 47 1HB ASP 85 2HB ASP 85 170.972 11.715 -3.941 48 2HB ASP 85 1HB ASP 85 172.150 10.463 -3.552 49 H PHE 86 H PHE 86 172.534 9.449 -1.559 50 HA PHE 86 HA PHE 86 171.978 6.589 -1.722 51 1HB PHE 86 2HB PHE 86 174.171 8.402 -0.779 52 2HB PHE 86 1HB PHE 86 174.208 6.711 -0.286 53 HD1 PHE 86 HD1 PHE 86 175.742 8.703 -2.486 54 HD2 PHE 86 HD2 PHE 86 173.181 5.252 -2.583 55 HE1 PHE 86 HE1 PHE 86 176.656 8.081 -4.703 56 HE2 PHE 86 HE2 PHE 86 174.099 4.634 -4.800 57 HZ PHE 86 HZ PHE 86 175.837 6.049 -5.861 58 H VAL 87 H VAL 87 172.132 8.960 0.962 59 HA VAL 87 HA VAL 87 171.915 7.102 3.093 60 HB VAL 87 HB VAL 87 170.935 9.964 2.811 61 1HG1 VAL 87 1HG1 VAL 87 169.988 8.714 4.788 62 2HG1 VAL 87 2HG1 VAL 87 171.008 10.083 5.231 63 3HG1 VAL 87 3HG1 VAL 87 171.640 8.441 5.338 64 1HG2 VAL 87 1HG2 VAL 87 173.432 9.229 4.260 65 2HG2 VAL 87 2HG2 VAL 87 173.091 10.633 3.248 66 3HG2 VAL 87 3HG2 VAL 87 173.472 9.080 2.504 67 H LYS 88 H LYS 88 169.330 8.962 1.438 68 HA LYS 88 HA LYS 88 167.098 7.950 2.866 69 1HB LYS 88 2HB LYS 88 167.180 9.872 1.260 70 2HB LYS 88 1HB LYS 88 167.282 8.713 -0.066 71 1HG LYS 88 2HG LYS 88 165.124 7.735 0.611 72 2HG LYS 88 1HG LYS 88 165.018 8.885 1.945 73 1HD LYS 88 2HD LYS 88 165.282 9.739 -0.947 74 2HD LYS 88 1HD LYS 88 163.724 9.538 -0.143 75 1HE LYS 88 2HE LYS 88 164.674 11.124 1.677 76 2HE LYS 88 1HE LYS 88 165.900 11.545 0.464 77 1HZ LYS 88 1HZ LYS 88 164.021 12.990 0.183 78 2HZ LYS 88 2HZ LYS 88 162.950 11.673 0.127 79 3HZ LYS 88 3HZ LYS 88 164.070 11.916 -1.128 80 H ALA 89 H ALA 89 168.891 6.567 0.159 81 HA ALA 89 HA ALA 89 167.041 4.544 -0.640 82 1HB ALA 89 1HB ALA 89 169.320 5.465 -1.604 83 2HB ALA 89 2HB ALA 89 168.830 3.804 -1.938 84 3HB ALA 89 3HB ALA 89 170.014 4.137 -0.675 85 H PHE 90 H PHE 90 169.941 4.095 1.470 86 HA PHE 90 HA PHE 90 169.053 1.431 2.249 87 1HB PHE 90 2HB PHE 90 171.254 3.274 3.226 88 2HB PHE 90 1HB PHE 90 171.109 1.568 3.655 89 HD1 PHE 90 HD1 PHE 90 172.232 3.935 1.166 90 HD2 PHE 90 HD2 PHE 90 171.126 -0.168 1.790 91 HE1 PHE 90 HE1 PHE 90 173.381 3.306 -0.938 92 HE2 PHE 90 HE2 PHE 90 172.274 -0.795 -0.315 93 HZ PHE 90 HZ PHE 90 173.402 0.940 -1.680 94 H GLN 91 H GLN 91 169.603 4.417 4.155 95 HA GLN 91 HA GLN 91 168.762 3.609 6.652 96 1HB GLN 91 2HB GLN 91 168.359 6.217 5.181 97 2HB GLN 91 1HB GLN 91 168.064 6.040 6.910 98 1HG GLN 91 2HG GLN 91 170.464 5.011 6.966 99 2HG GLN 91 1HG GLN 91 170.662 5.820 5.410 100 1HE2 GLN 91 1HE2 GLN 91 172.017 6.527 7.965 101 2HE2 GLN 91 2HE2 GLN 91 171.567 8.128 8.305 102 H VAL 92 H VAL 92 166.552 4.640 4.015 103 HA VAL 92 HA VAL 92 164.165 4.768 5.524 104 HB VAL 92 HB VAL 92 164.436 5.501 3.183 105 1HG1 VAL 92 1HG1 VAL 92 164.843 4.044 1.400 106 2HG1 VAL 92 2HG1 VAL 92 164.266 2.635 2.290 107 3HG1 VAL 92 3HG1 VAL 92 165.831 3.343 2.680 108 1HG2 VAL 92 1HG2 VAL 92 162.347 3.349 3.610 109 2HG2 VAL 92 2HG2 VAL 92 162.334 4.477 2.255 110 3HG2 VAL 92 3HG2 VAL 92 162.163 5.078 3.904 111 H PHE 93 H PHE 93 165.774 1.945 4.082 112 HA PHE 93 HA PHE 93 163.717 0.010 4.709 113 1HB PHE 93 2HB PHE 93 166.641 0.011 4.008 114 2HB PHE 93 1HB PHE 93 165.902 -1.491 4.563 115 HD1 PHE 93 HD1 PHE 93 164.348 -2.707 3.195 116 HD2 PHE 93 HD2 PHE 93 165.754 1.164 1.977 117 HE1 PHE 93 HE1 PHE 93 163.362 -3.056 0.946 118 HE2 PHE 93 HE2 PHE 93 164.770 0.815 -0.271 119 HZ PHE 93 HZ PHE 93 163.573 -1.294 -0.787 120 H ASP 94 H ASP 94 166.670 1.103 6.429 121 HA ASP 94 HA ASP 94 166.558 -0.689 8.641 122 1HB ASP 94 2HB ASP 94 167.712 1.988 8.005 123 2HB ASP 94 1HB ASP 94 167.679 1.510 9.702 124 H LYS 95 H LYS 95 164.227 -0.807 9.111 125 HA LYS 95 HA LYS 95 162.713 1.441 10.095 126 1HB LYS 95 2HB LYS 95 162.497 -1.566 10.400 127 2HB LYS 95 1HB LYS 95 161.260 -0.450 10.981 128 1HG LYS 95 2HG LYS 95 162.248 -0.489 8.119 129 2HG LYS 95 1HG LYS 95 160.831 -1.385 8.667 130 1HD LYS 95 2HD LYS 95 159.903 0.796 9.548 131 2HD LYS 95 1HD LYS 95 161.238 1.615 8.735 132 1HE LYS 95 2HE LYS 95 160.480 0.445 6.587 133 2HE LYS 95 1HE LYS 95 159.000 0.012 7.468 134 1HZ LYS 95 1HZ LYS 95 158.745 2.366 8.060 135 2HZ LYS 95 2HZ LYS 95 158.697 2.132 6.378 136 3HZ LYS 95 3HZ LYS 95 160.098 2.752 7.113 137 H GLU 96 H GLU 96 165.201 -0.498 11.554 138 HA GLU 96 HA GLU 96 164.411 0.485 14.273 139 1HB GLU 96 2HB GLU 96 166.123 -1.860 13.380 140 2HB GLU 96 1HB GLU 96 165.772 -1.449 15.059 141 1HG GLU 96 2HG GLU 96 163.312 -1.650 14.493 142 2HG GLU 96 1HG GLU 96 163.796 -2.306 12.929 143 H SER 97 H SER 97 166.190 1.649 11.912 144 HA SER 97 HA SER 97 168.247 2.690 11.640 145 1HB SER 97 2HB SER 97 166.547 3.895 13.295 146 2HB SER 97 1HB SER 97 167.867 3.660 14.437 147 HG SER 97 HG SER 97 169.235 4.683 12.878 148 H THR 98 H THR 98 168.797 -0.009 12.693 149 HA THR 98 HA THR 98 170.615 0.099 14.915 150 HB THR 98 HB THR 98 169.625 -1.985 14.133 151 HG1 THR 98 HG1 THR 98 171.373 -2.931 14.733 152 1HG2 THR 98 1HG2 THR 98 169.559 -2.648 11.975 153 2HG2 THR 98 2HG2 THR 98 171.269 -2.307 11.730 154 3HG2 THR 98 3HG2 THR 98 170.082 -1.015 11.582 155 H GLY 99 H GLY 99 171.049 0.656 11.453 156 1HA GLY 99 2HA GLY 99 172.759 2.109 10.570 157 2HA GLY 99 1HA GLY 99 173.693 1.860 12.041 158 H LYS 100 H LYS 100 172.448 -1.072 10.744 159 HA LYS 100 HA LYS 100 175.031 -1.584 9.323 160 1HB LYS 100 2HB LYS 100 173.701 -2.936 11.622 161 2HB LYS 100 1HB LYS 100 174.533 -3.965 10.456 162 1HG LYS 100 2HG LYS 100 176.591 -3.239 11.094 163 2HG LYS 100 1HG LYS 100 176.059 -1.563 11.238 164 1HD LYS 100 2HD LYS 100 176.530 -2.148 13.461 165 2HD LYS 100 1HD LYS 100 174.787 -2.394 13.349 166 1HE LYS 100 2HE LYS 100 175.704 -4.846 12.537 167 2HE LYS 100 1HE LYS 100 176.934 -4.389 13.733 168 1HZ LYS 100 1HZ LYS 100 173.989 -4.427 14.106 169 2HZ LYS 100 2HZ LYS 100 175.061 -3.699 15.205 170 3HZ LYS 100 3HZ LYS 100 175.138 -5.372 14.919 171 H VAL 101 H VAL 101 174.847 -3.218 7.614 172 HA VAL 101 HA VAL 101 172.159 -4.310 7.039 173 HB VAL 101 HB VAL 101 172.226 -3.321 4.731 174 1HG1 VAL 101 1HG1 VAL 101 172.522 -1.145 6.812 175 2HG1 VAL 101 2HG1 VAL 101 171.112 -2.201 6.748 176 3HG1 VAL 101 3HG1 VAL 101 171.488 -1.149 5.384 177 1HG2 VAL 101 1HG2 VAL 101 173.884 -1.751 4.095 178 2HG2 VAL 101 2HG2 VAL 101 174.794 -3.050 4.866 179 3HG2 VAL 101 3HG2 VAL 101 174.461 -1.561 5.750 180 H SER 102 H SER 102 172.255 -5.963 5.304 181 HA SER 102 HA SER 102 174.775 -7.496 5.362 182 1HB SER 102 2HB SER 102 173.263 -9.024 3.946 183 2HB SER 102 1HB SER 102 172.743 -8.708 5.598 184 HG SER 102 HG SER 102 171.130 -8.444 3.860 185 H VAL 103 H VAL 103 176.092 -7.869 3.500 186 HA VAL 103 HA VAL 103 176.240 -5.798 1.527 187 HB VAL 103 HB VAL 103 177.909 -7.257 0.487 188 1HG1 VAL 103 1HG1 VAL 103 178.332 -7.889 3.357 189 2HG1 VAL 103 2HG1 VAL 103 178.079 -6.191 2.955 190 3HG1 VAL 103 3HG1 VAL 103 179.404 -7.087 2.211 191 1HG2 VAL 103 1HG2 VAL 103 176.592 -9.378 0.676 192 2HG2 VAL 103 2HG2 VAL 103 176.947 -9.405 2.403 193 3HG2 VAL 103 3HG2 VAL 103 178.258 -9.545 1.229 194 H GLY 104 H GLY 104 174.585 -8.971 1.475 195 1HA GLY 104 2HA GLY 104 173.998 -9.032 -1.304 196 2HA GLY 104 1HA GLY 104 173.053 -9.838 -0.052 197 H ASP 105 H ASP 105 172.243 -7.575 1.429 198 HA ASP 105 HA ASP 105 170.050 -6.596 -0.255 199 1HB ASP 105 2HB ASP 105 169.929 -7.274 2.183 200 2HB ASP 105 1HB ASP 105 170.870 -5.831 2.566 201 H LEU 106 H LEU 106 172.918 -5.244 1.333 202 HA LEU 106 HA LEU 106 172.524 -2.490 0.702 203 1HB LEU 106 2HB LEU 106 174.194 -3.397 2.289 204 2HB LEU 106 1HB LEU 106 175.072 -4.133 0.948 205 HG LEU 106 HG LEU 106 175.266 -1.787 -0.039 206 1HD1 LEU 106 1HD1 LEU 106 174.889 -0.706 2.708 207 2HD1 LEU 106 2HD1 LEU 106 173.425 -1.089 1.802 208 3HD1 LEU 106 3HD1 LEU 106 174.593 0.060 1.148 209 1HD2 LEU 106 1HD2 LEU 106 176.602 -1.890 2.649 210 2HD2 LEU 106 2HD2 LEU 106 177.280 -1.431 1.087 211 3HD2 LEU 106 3HD2 LEU 106 176.978 -3.130 1.453 212 H ARG 107 H ARG 107 174.339 -5.026 -1.071 213 HA ARG 107 HA ARG 107 175.081 -3.378 -3.293 214 1HB ARG 107 2HB ARG 107 176.001 -5.639 -2.546 215 2HB ARG 107 1HB ARG 107 174.578 -6.370 -3.289 216 1HG ARG 107 2HG ARG 107 175.236 -5.085 -5.419 217 2HG ARG 107 1HG ARG 107 176.795 -4.816 -4.634 218 1HD ARG 107 2HD ARG 107 175.561 -7.568 -5.011 219 2HD ARG 107 1HD ARG 107 176.773 -6.865 -6.099 220 HE ARG 107 HE ARG 107 177.703 -6.618 -3.402 221 1HH1 ARG 107 1HH2 ARG 107 179.124 -7.784 -5.880 222 2HH1 ARG 107 2HH2 ARG 107 179.443 -9.394 -5.330 223 1HH2 ARG 107 2HH1 ARG 107 177.229 -9.208 -2.668 224 2HH2 ARG 107 1HH1 ARG 107 178.369 -10.201 -3.512 225 H TYR 108 H TYR 108 172.140 -5.218 -2.599 226 HA TYR 108 HA TYR 108 171.080 -5.188 -5.274 227 1HB TYR 108 2HB TYR 108 170.304 -6.647 -3.397 228 2HB TYR 108 1HB TYR 108 169.655 -5.223 -2.585 229 HD1 TYR 108 HD1 TYR 108 169.246 -7.552 -5.401 230 HD2 TYR 108 HD2 TYR 108 167.689 -4.051 -3.461 231 HE1 TYR 108 HE1 TYR 108 167.155 -7.752 -6.720 232 HE2 TYR 108 HE2 TYR 108 165.597 -4.250 -4.780 233 HH TYR 108 HH TYR 108 164.916 -5.281 -6.997 234 H MET 109 H MET 109 170.486 -2.974 -2.504 235 HA MET 109 HA MET 109 168.786 -1.245 -4.031 236 1HB MET 109 2HB MET 109 170.185 -1.275 -1.421 237 2HB MET 109 1HB MET 109 169.752 0.323 -2.026 238 1HG MET 109 2HG MET 109 167.537 -1.472 -2.457 239 2HG MET 109 1HG MET 109 168.066 -1.601 -0.784 240 1HE MET 109 1HE MET 109 168.518 2.015 -2.775 241 2HE MET 109 2HE MET 109 166.794 2.082 -3.131 242 3HE MET 109 3HE MET 109 167.738 0.686 -3.643 243 H LEU 110 H LEU 110 172.283 -1.181 -3.259 244 HA LEU 110 HA LEU 110 172.979 1.346 -4.237 245 1HB LEU 110 2HB LEU 110 174.358 -0.457 -3.059 246 2HB LEU 110 1HB LEU 110 174.567 -1.200 -4.645 247 HG LEU 110 HG LEU 110 175.336 1.192 -5.379 248 1HD1 LEU 110 1HD1 LEU 110 174.633 1.928 -2.914 249 2HD1 LEU 110 2HD1 LEU 110 176.003 2.678 -3.733 250 3HD1 LEU 110 3HD1 LEU 110 176.275 1.402 -2.546 251 1HD2 LEU 110 1HD2 LEU 110 176.831 -0.728 -5.361 252 2HD2 LEU 110 2HD2 LEU 110 176.986 -0.638 -3.607 253 3HD2 LEU 110 3HD2 LEU 110 177.666 0.636 -4.618 254 H THR 111 H THR 111 172.511 -1.690 -6.117 255 HA THR 111 HA THR 111 173.374 -0.482 -8.610 256 HB THR 111 HB THR 111 173.471 -2.897 -8.143 257 HG1 THR 111 HG1 THR 111 172.491 -3.550 -10.117 258 1HG2 THR 111 1HG2 THR 111 171.681 -3.644 -6.943 259 2HG2 THR 111 2HG2 THR 111 171.009 -3.950 -8.543 260 3HG2 THR 111 3HG2 THR 111 170.573 -2.483 -7.671 261 H GLY 112 H GLY 112 170.466 -0.377 -6.785 262 1HA GLY 112 2HA GLY 112 168.737 0.317 -9.063 263 2HA GLY 112 1HA GLY 112 168.241 0.217 -7.374 264 H LEU 113 H LEU 113 170.906 1.907 -6.934 265 HA LEU 113 HA LEU 113 169.505 4.501 -6.983 266 1HB LEU 113 2HB LEU 113 171.021 3.121 -5.167 267 2HB LEU 113 1HB LEU 113 172.222 4.211 -5.856 268 HG LEU 113 HG LEU 113 171.137 5.241 -3.901 269 1HD1 LEU 113 1HD1 LEU 113 171.833 6.715 -5.749 270 2HD1 LEU 113 2HD1 LEU 113 170.382 7.336 -4.964 271 3HD1 LEU 113 3HD1 LEU 113 170.258 6.506 -6.514 272 1HD2 LEU 113 1HD2 LEU 113 168.904 3.910 -4.622 273 2HD2 LEU 113 2HD2 LEU 113 168.528 5.490 -5.309 274 3HD2 LEU 113 3HD2 LEU 113 168.867 5.336 -3.585 275 H GLY 114 H GLY 114 171.319 2.990 -9.295 276 1HA GLY 114 2HA GLY 114 172.143 4.248 -11.226 277 2HA GLY 114 1HA GLY 114 172.605 5.550 -10.129 278 H GLU 115 H GLU 115 173.191 2.205 -9.424 279 HA GLU 115 HA GLU 115 176.159 2.658 -9.721 280 1HB GLU 115 2HB GLU 115 175.029 2.275 -7.416 281 2HB GLU 115 1HB GLU 115 174.875 0.599 -7.941 282 1HG GLU 115 2HG GLU 115 176.954 0.490 -6.941 283 2HG GLU 115 1HG GLU 115 177.437 0.931 -8.578 284 H LYS 116 H LYS 116 177.021 1.471 -11.397 285 HA LYS 116 HA LYS 116 175.765 -1.163 -11.992 286 1HB LYS 116 2HB LYS 116 176.787 0.994 -13.873 287 2HB LYS 116 1HB LYS 116 176.466 -0.653 -14.417 288 1HG LYS 116 2HG LYS 116 174.128 -0.455 -13.653 289 2HG LYS 116 1HG LYS 116 174.446 1.194 -13.113 290 1HD LYS 116 2HD LYS 116 175.001 1.859 -15.413 291 2HD LYS 116 1HD LYS 116 174.725 0.207 -15.967 292 1HE LYS 116 2HE LYS 116 172.667 1.278 -16.441 293 2HE LYS 116 1HE LYS 116 172.355 0.514 -14.869 294 1HZ LYS 116 1HZ LYS 116 171.735 2.807 -14.717 295 2HZ LYS 116 2HZ LYS 116 173.228 3.313 -15.349 296 3HZ LYS 116 3HZ LYS 116 173.154 2.590 -13.814 297 H LEU 117 H LEU 117 177.537 -1.476 -10.248 298 HA LEU 117 HA LEU 117 180.245 -1.821 -11.402 299 1HB LEU 117 2HB LEU 117 179.052 -2.338 -8.651 300 2HB LEU 117 1HB LEU 117 180.769 -2.412 -9.047 301 HG LEU 117 HG LEU 117 179.104 0.071 -9.507 302 1HD1 LEU 117 1HD1 LEU 117 180.951 -0.391 -7.161 303 2HD1 LEU 117 2HD1 LEU 117 179.224 -0.732 -7.062 304 3HD1 LEU 117 3HD1 LEU 117 179.782 0.909 -7.389 305 1HD2 LEU 117 1HD2 LEU 117 182.034 0.080 -8.963 306 2HD2 LEU 117 2HD2 LEU 117 181.094 1.084 -10.065 307 3HD2 LEU 117 3HD2 LEU 117 181.518 -0.565 -10.520 308 H THR 118 H THR 118 181.148 -3.979 -11.608 309 HA THR 118 HA THR 118 179.082 -6.152 -11.660 310 HB THR 118 HB THR 118 181.740 -6.102 -13.077 311 HG1 THR 118 HG1 THR 118 179.264 -5.148 -14.062 312 1HG2 THR 118 1HG2 THR 118 180.816 -7.776 -14.439 313 2HG2 THR 118 2HG2 THR 118 179.162 -7.344 -14.004 314 3HG2 THR 118 3HG2 THR 118 180.192 -8.176 -12.839 315 H ASP 119 H ASP 119 179.527 -8.093 -10.516 316 HA ASP 119 HA ASP 119 180.902 -8.268 -8.195 317 1HB ASP 119 2HB ASP 119 180.879 -10.681 -8.545 318 2HB ASP 119 1HB ASP 119 179.466 -9.973 -9.313 319 H ALA 120 H ALA 120 182.430 -8.499 -11.343 320 HA ALA 120 HA ALA 120 185.055 -9.431 -10.585 321 1HB ALA 120 1HB ALA 120 183.894 -7.685 -12.759 322 2HB ALA 120 2HB ALA 120 184.499 -9.336 -12.887 323 3HB ALA 120 3HB ALA 120 185.627 -7.998 -12.674 324 H GLU 121 H GLU 121 183.821 -6.101 -11.072 325 HA GLU 121 HA GLU 121 186.161 -4.860 -9.836 326 1HB GLU 121 2HB GLU 121 183.467 -3.965 -10.867 327 2HB GLU 121 1HB GLU 121 184.565 -2.833 -10.080 328 1HG GLU 121 2HG GLU 121 186.336 -3.441 -11.710 329 2HG GLU 121 1HG GLU 121 185.197 -4.519 -12.519 330 H VAL 122 H VAL 122 182.778 -5.457 -8.882 331 HA VAL 122 HA VAL 122 182.821 -4.124 -6.339 332 HB VAL 122 HB VAL 122 181.254 -6.542 -7.302 333 1HG1 VAL 122 1HG1 VAL 122 179.554 -5.426 -5.637 334 2HG1 VAL 122 2HG1 VAL 122 181.002 -4.705 -4.931 335 3HG1 VAL 122 3HG1 VAL 122 180.833 -6.459 -4.998 336 1HG2 VAL 122 1HG2 VAL 122 180.683 -3.566 -7.433 337 2HG2 VAL 122 2HG2 VAL 122 179.521 -4.826 -7.846 338 3HG2 VAL 122 3HG2 VAL 122 180.987 -4.631 -8.806 339 H ASP 123 H ASP 123 183.791 -7.444 -7.250 340 HA ASP 123 HA ASP 123 184.092 -8.464 -4.598 341 1HB ASP 123 2HB ASP 123 184.150 -9.825 -6.667 342 2HB ASP 123 1HB ASP 123 185.665 -9.053 -7.136 343 H GLU 124 H GLU 124 186.291 -6.633 -6.684 344 HA GLU 124 HA GLU 124 188.658 -6.651 -5.097 345 1HB GLU 124 2HB GLU 124 187.444 -4.442 -6.791 346 2HB GLU 124 1HB GLU 124 189.137 -4.547 -6.311 347 1HG GLU 124 2HG GLU 124 189.028 -6.924 -7.408 348 2HG GLU 124 1HG GLU 124 187.610 -6.281 -8.233 349 H LEU 125 H LEU 125 185.835 -4.470 -4.997 350 HA LEU 125 HA LEU 125 186.729 -2.706 -2.944 351 1HB LEU 125 2HB LEU 125 184.190 -3.541 -4.236 352 2HB LEU 125 1HB LEU 125 184.024 -2.758 -2.668 353 HG LEU 125 HG LEU 125 183.940 -1.107 -4.504 354 1HD1 LEU 125 1HD1 LEU 125 185.124 -0.732 -2.196 355 2HD1 LEU 125 2HD1 LEU 125 185.314 0.472 -3.471 356 3HD1 LEU 125 3HD1 LEU 125 186.598 -0.698 -3.164 357 1HD2 LEU 125 1HD2 LEU 125 186.840 -1.547 -5.093 358 2HD2 LEU 125 2HD2 LEU 125 185.570 -0.901 -6.132 359 3HD2 LEU 125 3HD2 LEU 125 185.672 -2.637 -5.841 360 H LEU 126 H LEU 126 184.547 -5.536 -2.724 361 HA LEU 126 HA LEU 126 184.264 -5.613 0.118 362 1HB LEU 126 2HB LEU 126 184.039 -7.620 -2.125 363 2HB LEU 126 1HB LEU 126 183.687 -8.060 -0.454 364 HG LEU 126 HG LEU 126 182.423 -5.555 -1.426 365 1HD1 LEU 126 1HD1 LEU 126 181.622 -8.303 -2.421 366 2HD1 LEU 126 2HD1 LEU 126 182.105 -6.919 -3.401 367 3HD1 LEU 126 3HD1 LEU 126 180.583 -6.881 -2.512 368 1HD2 LEU 126 1HD2 LEU 126 182.188 -7.137 0.798 369 2HD2 LEU 126 2HD2 LEU 126 180.851 -7.743 -0.181 370 3HD2 LEU 126 3HD2 LEU 126 180.933 -6.031 0.240 371 H LYS 127 H LYS 127 186.869 -6.660 -1.970 372 HA LYS 127 HA LYS 127 188.058 -8.737 -0.516 373 1HB LYS 127 2HB LYS 127 188.645 -7.818 -2.779 374 2HB LYS 127 1HB LYS 127 189.477 -6.491 -1.967 375 1HG LYS 127 2HG LYS 127 190.936 -8.109 -0.808 376 2HG LYS 127 1HG LYS 127 190.107 -9.438 -1.619 377 1HD LYS 127 2HD LYS 127 190.805 -8.543 -3.809 378 2HD LYS 127 1HD LYS 127 191.640 -7.215 -3.000 379 1HE LYS 127 2HE LYS 127 193.289 -8.639 -2.092 380 2HE LYS 127 1HE LYS 127 192.290 -10.088 -2.321 381 1HZ LYS 127 1HZ LYS 127 192.381 -9.677 -4.732 382 2HZ LYS 127 2HZ LYS 127 193.919 -9.974 -4.072 383 3HZ LYS 127 3HZ LYS 127 193.451 -8.389 -4.465 384 H GLY 128 H GLY 128 187.913 -5.326 0.275 385 1HA GLY 128 2HA GLY 128 189.915 -5.739 2.456 386 2HA GLY 128 1HA GLY 128 189.612 -4.180 1.690 387 H VAL 129 H VAL 129 186.582 -5.160 1.789 388 HA VAL 129 HA VAL 129 185.888 -3.637 4.149 389 HB VAL 129 HB VAL 129 184.292 -5.595 2.451 390 1HG1 VAL 129 1HG1 VAL 129 183.327 -4.945 4.717 391 2HG1 VAL 129 2HG1 VAL 129 182.322 -4.540 3.326 392 3HG1 VAL 129 3HG1 VAL 129 183.271 -3.286 4.123 393 1HG2 VAL 129 1HG2 VAL 129 183.638 -3.683 1.136 394 2HG2 VAL 129 2HG2 VAL 129 185.398 -3.652 1.247 395 3HG2 VAL 129 3HG2 VAL 129 184.431 -2.573 2.253 396 H GLU 130 H GLU 130 185.853 -4.239 6.163 397 HA GLU 130 HA GLU 130 186.280 -7.077 6.948 398 1HB GLU 130 2HB GLU 130 187.635 -5.173 7.821 399 2HB GLU 130 1HB GLU 130 186.172 -4.497 8.536 400 1HG GLU 130 2HG GLU 130 185.878 -6.539 9.886 401 2HG GLU 130 1HG GLU 130 187.335 -7.225 9.169 402 H VAL 131 H VAL 131 184.325 -8.141 6.844 403 HA VAL 131 HA VAL 131 181.854 -6.963 7.968 404 HB VAL 131 HB VAL 131 181.852 -8.328 5.904 405 1HG1 VAL 131 1HG1 VAL 131 183.451 -9.956 5.894 406 2HG1 VAL 131 2HG1 VAL 131 182.173 -10.941 6.606 407 3HG1 VAL 131 3HG1 VAL 131 183.381 -10.182 7.641 408 1HG2 VAL 131 1HG2 VAL 131 180.564 -10.117 7.918 409 2HG2 VAL 131 2HG2 VAL 131 179.907 -9.462 6.418 410 3HG2 VAL 131 3HG2 VAL 131 180.040 -8.435 7.846 411 H ASP 132 H ASP 132 180.714 -8.087 9.748 412 HA ASP 132 HA ASP 132 182.621 -9.072 11.797 413 1HB ASP 132 2HB ASP 132 179.736 -8.150 11.804 414 2HB ASP 132 1HB ASP 132 180.586 -8.690 13.252 415 H SER 133 H SER 133 181.234 -10.655 13.373 416 HA SER 133 HA SER 133 181.067 -13.196 11.997 417 1HB SER 133 2HB SER 133 180.641 -12.121 14.757 418 2HB SER 133 1HB SER 133 180.062 -13.743 14.398 419 HG SER 133 HG SER 133 182.539 -12.948 14.907 420 H ASN 134 H ASN 134 178.778 -10.728 12.005 421 HA ASN 134 HA ASN 134 176.455 -12.615 11.951 422 1HB ASN 134 2HB ASN 134 176.570 -10.554 13.478 423 2HB ASN 134 1HB ASN 134 176.474 -9.587 12.006 424 1HD2 ASN 134 1HD2 ASN 134 174.696 -12.055 13.898 425 2HD2 ASN 134 2HD2 ASN 134 173.172 -11.676 13.256 426 H GLY 135 H GLY 135 178.597 -10.911 9.892 427 1HA GLY 135 2HA GLY 135 178.592 -10.940 7.524 428 2HA GLY 135 1HA GLY 135 176.958 -11.603 7.562 429 H GLU 136 H GLU 136 177.705 -8.759 9.430 430 HA GLU 136 HA GLU 136 176.002 -7.148 7.559 431 1HB GLU 136 2HB GLU 136 176.519 -7.068 10.543 432 2HB GLU 136 1HB GLU 136 175.613 -5.817 9.692 433 1HG GLU 136 2HG GLU 136 174.016 -7.516 8.886 434 2HG GLU 136 1HG GLU 136 174.919 -8.768 9.739 435 H ILE 137 H ILE 137 176.699 -5.172 6.876 436 HA ILE 137 HA ILE 137 179.418 -4.246 7.738 437 HB ILE 137 HB ILE 137 178.165 -4.599 5.000 438 1HG1 ILE 137 2HG1 ILE 137 180.632 -5.525 4.739 439 2HG1 ILE 137 1HG1 ILE 137 180.553 -5.623 6.497 440 1HG2 ILE 137 1HG2 ILE 137 180.179 -3.425 4.073 441 2HG2 ILE 137 2HG2 ILE 137 180.591 -2.916 5.710 442 3HG2 ILE 137 3HG2 ILE 137 179.101 -2.345 4.958 443 1HD1 ILE 137 1HD1 ILE 137 179.085 -7.357 6.456 444 2HD1 ILE 137 2HD1 ILE 137 179.650 -7.573 4.801 445 3HD1 ILE 137 3HD1 ILE 137 178.166 -6.673 5.116 446 H ASP 138 H ASP 138 179.667 -1.820 7.112 447 HA ASP 138 HA ASP 138 177.213 -0.401 7.996 448 1HB ASP 138 2HB ASP 138 179.500 -0.118 9.034 449 2HB ASP 138 1HB ASP 138 180.030 0.618 7.522 450 H TYR 139 H TYR 139 175.892 0.384 6.404 451 HA TYR 139 HA TYR 139 176.620 0.569 3.629 452 1HB TYR 139 2HB TYR 139 174.380 1.518 3.402 453 2HB TYR 139 1HB TYR 139 174.352 0.157 4.515 454 HD1 TYR 139 HD1 TYR 139 174.218 3.845 4.245 455 HD2 TYR 139 HD2 TYR 139 173.856 0.461 6.864 456 HE1 TYR 139 HE1 TYR 139 173.213 5.298 5.986 457 HE2 TYR 139 HE2 TYR 139 172.857 1.914 8.603 458 HH TYR 139 HH TYR 139 173.127 4.964 8.830 459 H LYS 140 H LYS 140 176.404 3.033 6.207 460 HA LYS 140 HA LYS 140 176.695 5.308 4.495 461 1HB LYS 140 2HB LYS 140 176.494 4.675 7.294 462 2HB LYS 140 1HB LYS 140 177.820 5.815 7.081 463 1HG LYS 140 2HG LYS 140 176.327 7.316 5.810 464 2HG LYS 140 1HG LYS 140 174.999 6.177 6.030 465 1HD LYS 140 2HD LYS 140 175.139 6.443 8.464 466 2HD LYS 140 1HD LYS 140 176.513 7.535 8.280 467 1HE LYS 140 2HE LYS 140 174.770 8.805 6.665 468 2HE LYS 140 1HE LYS 140 173.619 8.046 7.782 469 1HZ LYS 140 1HZ LYS 140 175.043 8.851 9.627 470 2HZ LYS 140 2HZ LYS 140 174.320 10.106 8.739 471 3HZ LYS 140 3HZ LYS 140 175.959 9.727 8.501 472 H LYS 141 H LYS 141 179.056 3.342 6.273 473 HA LYS 141 HA LYS 141 181.367 4.947 5.630 474 1HB LYS 141 2HB LYS 141 180.927 2.095 6.534 475 2HB LYS 141 1HB LYS 141 182.538 2.789 6.347 476 1HG LYS 141 2HG LYS 141 181.559 4.736 7.821 477 2HG LYS 141 1HG LYS 141 180.383 3.515 8.308 478 1HD LYS 141 2HD LYS 141 182.059 2.093 9.198 479 2HD LYS 141 1HD LYS 141 183.351 2.963 8.369 480 1HE LYS 141 2HE LYS 141 182.182 4.964 9.887 481 2HE LYS 141 1HE LYS 141 182.080 3.550 10.956 482 1HZ LYS 141 1HZ LYS 141 184.428 3.075 10.381 483 2HZ LYS 141 2HZ LYS 141 184.231 4.536 11.225 484 3HZ LYS 141 3HZ LYS 141 184.497 4.549 9.547 485 H PHE 142 H PHE 142 180.002 1.995 4.149 486 HA PHE 142 HA PHE 142 182.119 1.695 2.231 487 1HB PHE 142 2HB PHE 142 180.430 -0.024 3.103 488 2HB PHE 142 1HB PHE 142 179.253 0.713 2.019 489 HD1 PHE 142 HD1 PHE 142 178.915 -0.556 0.103 490 HD2 PHE 142 HD2 PHE 142 182.881 -0.223 1.722 491 HE1 PHE 142 HE1 PHE 142 179.795 -1.932 -1.767 492 HE2 PHE 142 HE2 PHE 142 183.759 -1.597 -0.147 493 HZ PHE 142 HZ PHE 142 182.215 -2.454 -1.889 494 H ILE 143 H ILE 143 179.113 3.515 2.254 495 HA ILE 143 HA ILE 143 179.205 4.115 -0.634 496 HB ILE 143 HB ILE 143 177.516 5.082 1.701 497 1HG1 ILE 143 2HG1 ILE 143 176.786 3.157 -0.518 498 2HG1 ILE 143 1HG1 ILE 143 177.415 2.622 1.040 499 1HG2 ILE 143 1HG2 ILE 143 177.346 6.743 0.001 500 2HG2 ILE 143 2HG2 ILE 143 175.930 5.713 -0.204 501 3HG2 ILE 143 3HG2 ILE 143 177.314 5.533 -1.280 502 1HD1 ILE 143 1HD1 ILE 143 174.805 3.981 0.421 503 2HD1 ILE 143 2HD1 ILE 143 175.519 4.141 2.025 504 3HD1 ILE 143 3HD1 ILE 143 175.104 2.546 1.400 505 H GLU 144 H GLU 144 179.518 5.984 2.405 506 HA GLU 144 HA GLU 144 180.255 8.475 1.194 507 1HB GLU 144 2HB GLU 144 180.796 7.211 3.895 508 2HB GLU 144 1HB GLU 144 181.150 8.899 3.529 509 1HG GLU 144 2HG GLU 144 178.780 9.278 2.955 510 2HG GLU 144 1HG GLU 144 178.421 7.590 3.323 511 H ASP 145 H ASP 145 182.163 5.597 1.928 512 HA ASP 145 HA ASP 145 184.689 7.062 1.500 513 1HB ASP 145 2HB ASP 145 184.361 5.237 3.227 514 2HB ASP 145 1HB ASP 145 184.188 4.091 1.898 515 H VAL 146 H VAL 146 182.413 5.371 -0.457 516 HA VAL 146 HA VAL 146 184.445 4.833 -2.569 517 HB VAL 146 HB VAL 146 181.501 4.175 -2.188 518 1HG1 VAL 146 1HG1 VAL 146 181.605 2.915 -4.274 519 2HG1 VAL 146 2HG1 VAL 146 183.298 3.353 -4.495 520 3HG1 VAL 146 3HG1 VAL 146 182.046 4.591 -4.605 521 1HG2 VAL 146 1HG2 VAL 146 182.257 1.940 -1.867 522 2HG2 VAL 146 2HG2 VAL 146 183.364 2.939 -0.925 523 3HG2 VAL 146 3HG2 VAL 146 183.863 2.312 -2.495 524 H LEU 147 H LEU 147 181.483 6.699 -1.951 525 HA LEU 147 HA LEU 147 181.293 8.070 -4.477 526 1HB LEU 147 2HB LEU 147 180.182 8.195 -1.757 527 2HB LEU 147 1HB LEU 147 180.269 9.767 -2.544 528 HG LEU 147 HG LEU 147 178.112 8.671 -3.010 529 1HD1 LEU 147 1HD1 LEU 147 179.427 8.406 -5.651 530 2HD1 LEU 147 2HD1 LEU 147 179.712 9.933 -4.815 531 3HD1 LEU 147 3HD1 LEU 147 178.064 9.414 -5.165 532 1HD2 LEU 147 1HD2 LEU 147 179.906 6.473 -4.063 533 2HD2 LEU 147 2HD2 LEU 147 178.225 6.627 -4.570 534 3HD2 LEU 147 3HD2 LEU 147 178.610 6.347 -2.872 535 H ARG 148 H ARG 148 183.585 8.476 -1.925 536 HA ARG 148 HA ARG 148 184.184 11.249 -2.114 537 1HB ARG 148 2HB ARG 148 185.532 8.730 -1.297 538 2HB ARG 148 1HB ARG 148 186.594 10.100 -1.622 539 1HG ARG 148 2HG ARG 148 185.099 11.484 -0.112 540 2HG ARG 148 1HG ARG 148 184.299 9.981 0.348 541 1HD ARG 148 2HD ARG 148 185.984 10.308 2.012 542 2HD ARG 148 1HD ARG 148 186.687 9.115 0.901 543 HE ARG 148 HE ARG 148 187.220 11.903 0.160 544 1HH1 ARG 148 1HH2 ARG 148 188.270 10.934 2.975 545 2HH1 ARG 148 2HH2 ARG 148 189.912 10.585 2.552 546 1HH2 ARG 148 2HH1 ARG 148 189.328 10.668 -0.865 547 2HH2 ARG 148 1HH1 ARG 148 190.511 10.433 0.377 548 H GLN 149 HN GLN 149 185.446 12.419 -3.593 549 HA GLN 149 HA GLN 149 185.750 11.521 -6.283 550 1HB GLN 149 2HB GLN 149 185.696 13.886 -5.258 551 2HB GLN 149 1HB GLN 149 187.413 13.654 -4.928 552 1HG GLN 149 2HG GLN 149 187.190 14.784 -7.066 553 2HG GLN 149 1HG GLN 149 187.752 13.139 -7.359 554 1HE2 GLN 149 1HE2 GLN 149 186.661 12.194 -9.080 555 2HE2 GLN 149 2HE2 GLN 149 185.033 12.471 -9.476 Start of MODEL 6 1 1H LYS 80 H LYS 80 176.065 15.767 -10.897 2 HA LYS 80 HA LYS 80 177.416 16.663 -8.414 3 1HB LYS 80 2HB LYS 80 175.371 17.839 -10.316 4 2HB LYS 80 1HB LYS 80 175.921 18.676 -8.865 5 1HG LYS 80 2HG LYS 80 178.272 18.468 -9.691 6 2HG LYS 80 1HG LYS 80 177.648 17.767 -11.184 7 1HD LYS 80 2HD LYS 80 176.475 20.361 -10.287 8 2HD LYS 80 1HD LYS 80 178.108 20.391 -10.957 9 1HE LYS 80 2HE LYS 80 177.208 19.074 -12.942 10 2HE LYS 80 1HE LYS 80 175.582 19.389 -12.305 11 1HZ LYS 80 1HZ LYS 80 175.971 21.720 -12.366 12 2HZ LYS 80 2HZ LYS 80 176.408 21.110 -13.891 13 3HZ LYS 80 3HZ LYS 80 177.608 21.511 -12.757 14 H ALA 81 H ALA 81 176.397 14.664 -7.357 15 HA ALA 81 HA ALA 81 173.552 15.129 -6.499 16 1HB ALA 81 1HB ALA 81 175.332 12.785 -7.010 17 2HB ALA 81 2HB ALA 81 173.631 13.012 -7.418 18 3HB ALA 81 3HB ALA 81 174.096 12.623 -5.762 19 H LYS 82 H LYS 82 173.109 14.733 -4.185 20 HA LYS 82 HA LYS 82 175.475 15.369 -2.444 21 1HB LYS 82 2HB LYS 82 172.496 15.891 -2.260 22 2HB LYS 82 1HB LYS 82 173.619 16.223 -0.940 23 1HG LYS 82 2HG LYS 82 174.940 17.674 -2.497 24 2HG LYS 82 1HG LYS 82 173.694 17.427 -3.722 25 1HD LYS 82 2HD LYS 82 173.000 18.456 -0.972 26 2HD LYS 82 1HD LYS 82 173.516 19.550 -2.256 27 1HE LYS 82 2HE LYS 82 171.681 18.762 -3.698 28 2HE LYS 82 1HE LYS 82 171.168 17.625 -2.434 29 1HZ LYS 82 1HZ LYS 82 171.445 20.554 -2.031 30 2HZ LYS 82 2HZ LYS 82 170.820 19.428 -0.924 31 3HZ LYS 82 3HZ LYS 82 169.971 19.780 -2.353 32 H THR 83 H THR 83 175.454 14.472 -0.327 33 HA THR 83 HA THR 83 175.336 11.663 -0.154 34 HB THR 83 HB THR 83 174.864 13.640 2.105 35 HG1 THR 83 HG1 THR 83 177.149 13.678 2.190 36 1HG2 THR 83 1HG2 THR 83 176.634 11.437 2.684 37 2HG2 THR 83 2HG2 THR 83 175.096 10.819 2.084 38 3HG2 THR 83 3HG2 THR 83 175.131 11.886 3.487 39 H GLU 84 H GLU 84 172.810 14.033 0.388 40 HA GLU 84 HA GLU 84 170.800 12.619 1.727 41 1HB GLU 84 2HB GLU 84 170.736 14.573 -0.596 42 2HB GLU 84 1HB GLU 84 169.286 14.101 0.303 43 1HG GLU 84 2HG GLU 84 170.321 14.900 2.398 44 2HG GLU 84 1HG GLU 84 171.764 15.375 1.503 45 H ASP 85 H ASP 85 171.688 12.413 -1.705 46 HA ASP 85 HA ASP 85 169.493 10.837 -2.643 47 1HB ASP 85 2HB ASP 85 171.287 12.023 -3.973 48 2HB ASP 85 1HB ASP 85 172.398 10.730 -3.517 49 H PHE 86 H PHE 86 172.708 9.807 -1.467 50 HA PHE 86 HA PHE 86 172.035 6.970 -1.526 51 1HB PHE 86 2HB PHE 86 174.303 8.740 -0.761 52 2HB PHE 86 1HB PHE 86 174.262 7.146 -0.004 53 HD1 PHE 86 HD1 PHE 86 175.711 8.783 -2.629 54 HD2 PHE 86 HD2 PHE 86 173.310 5.299 -1.894 55 HE1 PHE 86 HE1 PHE 86 176.550 7.760 -4.727 56 HE2 PHE 86 HE2 PHE 86 174.150 4.276 -3.990 57 HZ PHE 86 HZ PHE 86 175.770 5.505 -5.407 58 H VAL 87 H VAL 87 172.245 9.454 1.048 59 HA VAL 87 HA VAL 87 171.963 7.768 3.286 60 HB VAL 87 HB VAL 87 170.940 10.584 2.787 61 1HG1 VAL 87 1HG1 VAL 87 171.246 8.923 5.275 62 2HG1 VAL 87 2HG1 VAL 87 169.931 10.005 4.816 63 3HG1 VAL 87 3HG1 VAL 87 171.471 10.670 5.358 64 1HG2 VAL 87 1HG2 VAL 87 173.078 11.326 3.159 65 2HG2 VAL 87 2HG2 VAL 87 173.505 9.717 2.577 66 3HG2 VAL 87 3HG2 VAL 87 173.435 10.037 4.309 67 H LYS 88 H LYS 88 169.381 9.559 1.549 68 HA LYS 88 HA LYS 88 167.153 8.556 2.999 69 1HB LYS 88 2HB LYS 88 167.248 10.486 1.391 70 2HB LYS 88 1HB LYS 88 167.299 9.321 0.068 71 1HG LYS 88 2HG LYS 88 165.130 8.451 0.643 72 2HG LYS 88 1HG LYS 88 165.100 9.371 2.148 73 1HD LYS 88 2HD LYS 88 163.736 10.565 0.562 74 2HD LYS 88 1HD LYS 88 165.233 11.478 0.753 75 1HE LYS 88 2HE LYS 88 166.137 10.445 -1.305 76 2HE LYS 88 1HE LYS 88 164.629 9.529 -1.502 77 1HZ LYS 88 1HZ LYS 88 164.892 12.488 -1.389 78 2HZ LYS 88 2HZ LYS 88 163.416 11.649 -1.447 79 3HZ LYS 88 3HZ LYS 88 164.495 11.570 -2.758 80 H ALA 89 H ALA 89 168.910 7.181 0.264 81 HA ALA 89 HA ALA 89 167.042 5.156 -0.517 82 1HB ALA 89 1HB ALA 89 168.949 5.845 -1.857 83 2HB ALA 89 2HB ALA 89 169.097 4.126 -1.493 84 3HB ALA 89 3HB ALA 89 170.066 5.302 -0.604 85 H PHE 90 H PHE 90 169.883 4.840 1.694 86 HA PHE 90 HA PHE 90 169.177 2.103 2.372 87 1HB PHE 90 2HB PHE 90 171.202 4.163 3.120 88 2HB PHE 90 1HB PHE 90 170.973 2.815 4.236 89 HD1 PHE 90 HD1 PHE 90 172.187 3.834 0.935 90 HD2 PHE 90 HD2 PHE 90 171.331 0.482 3.485 91 HE1 PHE 90 HE1 PHE 90 173.519 2.361 -0.550 92 HE2 PHE 90 HE2 PHE 90 172.665 -0.988 2.000 93 HZ PHE 90 HZ PHE 90 173.755 -0.048 -0.018 94 H GLN 91 H GLN 91 169.232 5.106 4.327 95 HA GLN 91 HA GLN 91 168.220 4.189 6.724 96 1HB GLN 91 2HB GLN 91 168.052 6.729 5.177 97 2HB GLN 91 1HB GLN 91 167.057 6.599 6.628 98 1HG GLN 91 2HG GLN 91 169.390 5.614 7.586 99 2HG GLN 91 1HG GLN 91 170.012 6.725 6.365 100 1HE2 GLN 91 1HE2 GLN 91 169.487 9.035 6.611 101 2HE2 GLN 91 2HE2 GLN 91 168.958 9.651 8.101 102 H VAL 92 H VAL 92 166.191 4.952 3.849 103 HA VAL 92 HA VAL 92 163.691 4.792 5.183 104 HB VAL 92 HB VAL 92 164.550 4.162 2.335 105 1HG1 VAL 92 1HG1 VAL 92 161.991 4.785 1.983 106 2HG1 VAL 92 2HG1 VAL 92 161.842 4.149 3.621 107 3HG1 VAL 92 3HG1 VAL 92 162.470 3.124 2.332 108 1HG2 VAL 92 1HG2 VAL 92 162.995 6.557 3.287 109 2HG2 VAL 92 2HG2 VAL 92 164.026 6.399 1.864 110 3HG2 VAL 92 3HG2 VAL 92 164.750 6.512 3.468 111 H PHE 93 H PHE 93 165.767 2.252 3.825 112 HA PHE 93 HA PHE 93 163.905 0.053 4.205 113 1HB PHE 93 2HB PHE 93 165.961 0.155 2.708 114 2HB PHE 93 1HB PHE 93 166.942 0.021 4.168 115 HD1 PHE 93 HD1 PHE 93 166.976 -2.040 5.487 116 HD2 PHE 93 HD2 PHE 93 164.603 -1.719 1.922 117 HE1 PHE 93 HE1 PHE 93 166.679 -4.503 5.463 118 HE2 PHE 93 HE2 PHE 93 164.305 -4.181 1.898 119 HZ PHE 93 HZ PHE 93 165.343 -5.573 3.668 120 H ASP 94 H ASP 94 166.679 1.315 6.120 121 HA ASP 94 HA ASP 94 166.489 -0.543 8.287 122 1HB ASP 94 2HB ASP 94 167.484 2.311 8.043 123 2HB ASP 94 1HB ASP 94 167.735 1.326 9.485 124 H LYS 95 H LYS 95 164.115 -0.654 8.605 125 HA LYS 95 HA LYS 95 162.514 1.559 9.461 126 1HB LYS 95 2HB LYS 95 162.379 -1.437 9.897 127 2HB LYS 95 1HB LYS 95 161.084 -0.340 10.377 128 1HG LYS 95 2HG LYS 95 162.187 -0.363 7.565 129 2HG LYS 95 1HG LYS 95 160.872 -1.431 8.058 130 1HD LYS 95 2HD LYS 95 160.634 1.467 8.742 131 2HD LYS 95 1HD LYS 95 160.386 0.997 7.060 132 1HE LYS 95 2HE LYS 95 158.519 -0.336 7.572 133 2HE LYS 95 1HE LYS 95 158.990 -0.504 9.276 134 1HZ LYS 95 1HZ LYS 95 158.703 1.927 9.497 135 2HZ LYS 95 2HZ LYS 95 157.253 1.125 9.125 136 3HZ LYS 95 3HZ LYS 95 158.088 1.981 7.918 137 H GLU 96 H GLU 96 164.472 -0.809 11.325 138 HA GLU 96 HA GLU 96 163.721 0.505 13.867 139 1HB GLU 96 2HB GLU 96 165.544 -1.826 13.177 140 2HB GLU 96 1HB GLU 96 165.039 -1.376 14.805 141 1HG GLU 96 2HG GLU 96 162.619 -1.595 13.876 142 2HG GLU 96 1HG GLU 96 163.369 -2.501 12.563 143 H SER 97 H SER 97 165.622 1.652 11.598 144 HA SER 97 HA SER 97 167.671 2.742 11.436 145 1HB SER 97 2HB SER 97 165.853 3.844 13.115 146 2HB SER 97 1HB SER 97 167.246 3.746 14.187 147 HG SER 97 HG SER 97 168.437 4.902 12.671 148 H THR 98 H THR 98 168.188 0.038 12.540 149 HA THR 98 HA THR 98 169.899 0.163 14.850 150 HB THR 98 HB THR 98 170.670 -2.043 13.996 151 HG1 THR 98 HG1 THR 98 169.811 -2.701 11.961 152 1HG2 THR 98 1HG2 THR 98 168.404 -1.729 15.087 153 2HG2 THR 98 2HG2 THR 98 168.537 -3.144 14.043 154 3HG2 THR 98 3HG2 THR 98 167.711 -1.696 13.465 155 H GLY 99 H GLY 99 170.483 0.647 11.397 156 1HA GLY 99 2HA GLY 99 172.214 2.112 10.561 157 2HA GLY 99 1HA GLY 99 173.086 1.901 12.074 158 H LYS 100 H LYS 100 171.948 -1.093 10.852 159 HA LYS 100 HA LYS 100 174.573 -1.597 9.503 160 1HB LYS 100 2HB LYS 100 173.095 -3.251 11.570 161 2HB LYS 100 1HB LYS 100 174.530 -3.801 10.706 162 1HG LYS 100 2HG LYS 100 174.450 -1.250 12.336 163 2HG LYS 100 1HG LYS 100 174.992 -2.798 12.986 164 1HD LYS 100 2HD LYS 100 176.649 -2.909 11.072 165 2HD LYS 100 1HD LYS 100 176.211 -1.242 10.691 166 1HE LYS 100 2HE LYS 100 176.886 -1.764 13.539 167 2HE LYS 100 1HE LYS 100 178.234 -1.860 12.388 168 1HZ LYS 100 1HZ LYS 100 176.254 0.351 12.387 169 2HZ LYS 100 2HZ LYS 100 177.724 0.273 11.538 170 3HZ LYS 100 3HZ LYS 100 177.724 0.435 13.229 171 H VAL 101 H VAL 101 174.471 -3.306 7.863 172 HA VAL 101 HA VAL 101 171.825 -4.484 7.264 173 HB VAL 101 HB VAL 101 171.927 -3.589 4.919 174 1HG1 VAL 101 1HG1 VAL 101 171.124 -1.412 5.458 175 2HG1 VAL 101 2HG1 VAL 101 172.134 -1.315 6.901 176 3HG1 VAL 101 3HG1 VAL 101 170.748 -2.405 6.866 177 1HG2 VAL 101 1HG2 VAL 101 174.188 -1.867 5.981 178 2HG2 VAL 101 2HG2 VAL 101 173.542 -1.879 4.340 179 3HG2 VAL 101 3HG2 VAL 101 174.430 -3.277 4.948 180 H SER 102 H SER 102 172.007 -6.187 5.573 181 HA SER 102 HA SER 102 174.538 -7.681 5.797 182 1HB SER 102 2HB SER 102 173.116 -9.293 4.396 183 2HB SER 102 1HB SER 102 172.496 -8.895 5.995 184 HG SER 102 HG SER 102 170.797 -8.183 4.999 185 H VAL 103 H VAL 103 175.944 -8.107 4.044 186 HA VAL 103 HA VAL 103 176.293 -6.165 2.007 187 HB VAL 103 HB VAL 103 178.003 -7.747 2.838 188 1HG1 VAL 103 1HG1 VAL 103 176.299 -9.688 2.887 189 2HG1 VAL 103 2HG1 VAL 103 177.946 -10.070 2.388 190 3HG1 VAL 103 3HG1 VAL 103 176.677 -9.890 1.177 191 1HG2 VAL 103 1HG2 VAL 103 177.778 -6.794 0.313 192 2HG2 VAL 103 2HG2 VAL 103 177.818 -8.524 -0.025 193 3HG2 VAL 103 3HG2 VAL 103 179.148 -7.766 0.851 194 H GLY 104 H GLY 104 174.516 -9.274 1.896 195 1HA GLY 104 2HA GLY 104 174.023 -9.326 -0.899 196 2HA GLY 104 1HA GLY 104 172.999 -10.090 0.317 197 H ASP 105 H ASP 105 172.240 -7.750 1.742 198 HA ASP 105 HA ASP 105 170.137 -6.735 -0.033 199 1HB ASP 105 2HB ASP 105 169.910 -7.372 2.408 200 2HB ASP 105 1HB ASP 105 170.873 -5.947 2.802 201 H LEU 106 H LEU 106 173.018 -5.440 1.597 202 HA LEU 106 HA LEU 106 172.687 -2.686 0.963 203 1HB LEU 106 2HB LEU 106 174.320 -3.641 2.560 204 2HB LEU 106 1HB LEU 106 175.201 -4.375 1.221 205 HG LEU 106 HG LEU 106 174.693 -1.452 1.022 206 1HD1 LEU 106 1HD1 LEU 106 176.988 -1.346 2.415 207 2HD1 LEU 106 2HD1 LEU 106 176.254 -2.737 3.212 208 3HD1 LEU 106 3HD1 LEU 106 175.413 -1.187 3.191 209 1HD2 LEU 106 1HD2 LEU 106 177.373 -2.704 0.691 210 2HD2 LEU 106 2HD2 LEU 106 176.548 -1.527 -0.330 211 3HD2 LEU 106 3HD2 LEU 106 176.120 -3.234 -0.431 212 H ARG 107 H ARG 107 174.514 -5.218 -0.820 213 HA ARG 107 HA ARG 107 175.266 -3.532 -3.017 214 1HB ARG 107 2HB ARG 107 176.225 -5.776 -2.303 215 2HB ARG 107 1HB ARG 107 174.804 -6.532 -3.022 216 1HG ARG 107 2HG ARG 107 175.522 -5.007 -5.103 217 2HG ARG 107 1HG ARG 107 177.111 -5.179 -4.353 218 1HD ARG 107 2HD ARG 107 177.051 -7.562 -4.527 219 2HD ARG 107 1HD ARG 107 175.316 -7.561 -4.901 220 HE ARG 107 HE ARG 107 177.336 -6.315 -6.730 221 1HH1 ARG 107 2HH1 ARG 107 176.415 -9.228 -7.063 222 2HH1 ARG 107 1HH1 ARG 107 175.199 -9.043 -8.283 223 1HH2 ARG 107 1HH2 ARG 107 174.941 -5.609 -7.880 224 2HH2 ARG 107 2HH2 ARG 107 174.364 -6.994 -8.745 225 H TYR 108 H TYR 108 172.327 -5.377 -2.364 226 HA TYR 108 HA TYR 108 171.305 -5.307 -5.060 227 1HB TYR 108 2HB TYR 108 170.559 -6.807 -3.171 228 2HB TYR 108 1HB TYR 108 169.799 -5.403 -2.421 229 HD1 TYR 108 HD1 TYR 108 169.557 -7.916 -5.048 230 HD2 TYR 108 HD2 TYR 108 167.926 -4.220 -3.587 231 HE1 TYR 108 HE1 TYR 108 167.553 -8.238 -6.472 232 HE2 TYR 108 HE2 TYR 108 165.921 -4.543 -5.011 233 HH TYR 108 HH TYR 108 165.322 -5.769 -7.089 234 H MET 109 H MET 109 170.678 -3.173 -2.239 235 HA MET 109 HA MET 109 168.891 -1.450 -3.618 236 1HB MET 109 2HB MET 109 170.572 -1.388 -1.164 237 2HB MET 109 1HB MET 109 169.964 0.166 -1.735 238 1HG MET 109 2HG MET 109 167.792 -1.655 -1.922 239 2HG MET 109 1HG MET 109 168.551 -1.947 -0.360 240 1HE MET 109 1HE MET 109 168.617 1.889 -2.001 241 2HE MET 109 2HE MET 109 166.860 1.871 -2.117 242 3HE MET 109 3HE MET 109 167.799 0.592 -2.883 243 H LEU 110 H LEU 110 172.444 -1.356 -3.262 244 HA LEU 110 HA LEU 110 172.960 1.187 -4.432 245 1HB LEU 110 2HB LEU 110 174.352 -1.304 -3.821 246 2HB LEU 110 1HB LEU 110 174.939 -0.626 -5.338 247 HG LEU 110 HG LEU 110 175.049 1.622 -4.036 248 1HD1 LEU 110 1HD1 LEU 110 175.586 1.126 -1.571 249 2HD1 LEU 110 2HD1 LEU 110 174.783 -0.422 -1.826 250 3HD1 LEU 110 3HD1 LEU 110 173.885 1.081 -2.034 251 1HD2 LEU 110 1HD2 LEU 110 177.069 -0.232 -2.894 252 2HD2 LEU 110 2HD2 LEU 110 177.299 1.244 -3.832 253 3HD2 LEU 110 3HD2 LEU 110 176.909 -0.268 -4.650 254 H THR 111 H THR 111 172.557 -2.009 -5.910 255 HA THR 111 HA THR 111 172.882 -1.290 -8.658 256 HB THR 111 HB THR 111 171.087 -3.382 -7.386 257 HG1 THR 111 HG1 THR 111 172.874 -4.321 -6.878 258 1HG2 THR 111 1HG2 THR 111 171.385 -4.594 -9.490 259 2HG2 THR 111 2HG2 THR 111 172.406 -3.297 -10.114 260 3HG2 THR 111 3HG2 THR 111 170.694 -3.003 -9.810 261 H GLY 112 H GLY 112 170.174 -0.975 -6.460 262 1HA GLY 112 2HA GLY 112 168.291 -0.171 -8.581 263 2HA GLY 112 1HA GLY 112 167.919 -0.317 -6.865 264 H LEU 113 H LEU 113 170.625 1.316 -6.552 265 HA LEU 113 HA LEU 113 169.258 3.928 -6.412 266 1HB LEU 113 2HB LEU 113 170.890 2.453 -4.773 267 2HB LEU 113 1HB LEU 113 172.041 3.582 -5.486 268 HG LEU 113 HG LEU 113 169.439 4.364 -4.134 269 1HD1 LEU 113 1HD1 LEU 113 172.293 4.174 -3.215 270 2HD1 LEU 113 2HD1 LEU 113 170.822 3.690 -2.374 271 3HD1 LEU 113 3HD1 LEU 113 171.232 5.400 -2.521 272 1HD2 LEU 113 1HD2 LEU 113 171.740 5.968 -5.292 273 2HD2 LEU 113 2HD2 LEU 113 170.492 6.657 -4.253 274 3HD2 LEU 113 3HD2 LEU 113 170.060 5.986 -5.826 275 H GLY 114 H GLY 114 170.967 2.493 -8.877 276 1HA GLY 114 2HA GLY 114 171.700 3.809 -10.804 277 2HA GLY 114 1HA GLY 114 172.157 5.106 -9.696 278 H GLU 115 H GLU 115 172.829 1.746 -9.143 279 HA GLU 115 HA GLU 115 175.780 2.284 -9.425 280 1HB GLU 115 2HB GLU 115 174.632 1.727 -7.141 281 2HB GLU 115 1HB GLU 115 174.590 0.078 -7.769 282 1HG GLU 115 2HG GLU 115 176.641 0.303 -6.533 283 2HG GLU 115 1HG GLU 115 177.066 0.296 -8.244 284 H LYS 116 H LYS 116 176.626 1.228 -11.190 285 HA LYS 116 HA LYS 116 175.435 -1.409 -11.896 286 1HB LYS 116 2HB LYS 116 176.523 0.754 -13.749 287 2HB LYS 116 1HB LYS 116 175.920 -0.815 -14.285 288 1HG LYS 116 2HG LYS 116 173.702 -0.291 -13.340 289 2HG LYS 116 1HG LYS 116 174.303 1.280 -12.806 290 1HD LYS 116 2HD LYS 116 174.790 1.894 -15.145 291 2HD LYS 116 1HD LYS 116 174.188 0.325 -15.683 292 1HE LYS 116 2HE LYS 116 171.991 0.950 -14.468 293 2HE LYS 116 1HE LYS 116 172.626 2.606 -14.459 294 1HZ LYS 116 1HZ LYS 116 172.985 2.458 -16.837 295 2HZ LYS 116 2HZ LYS 116 171.352 2.151 -16.482 296 3HZ LYS 116 3HZ LYS 116 172.398 0.867 -16.859 297 H LEU 117 H LEU 117 177.224 -1.683 -10.165 298 HA LEU 117 HA LEU 117 179.956 -1.903 -11.287 299 1HB LEU 117 2HB LEU 117 178.697 -2.571 -8.601 300 2HB LEU 117 1HB LEU 117 180.426 -2.609 -8.947 301 HG LEU 117 HG LEU 117 178.709 -0.139 -9.298 302 1HD1 LEU 117 1HD1 LEU 117 180.476 -0.987 -6.982 303 2HD1 LEU 117 2HD1 LEU 117 178.730 -0.739 -6.934 304 3HD1 LEU 117 3HD1 LEU 117 179.809 0.632 -7.187 305 1HD2 LEU 117 1HD2 LEU 117 181.710 -0.584 -9.179 306 2HD2 LEU 117 2HD2 LEU 117 180.919 0.985 -9.337 307 3HD2 LEU 117 3HD2 LEU 117 180.782 -0.207 -10.629 308 H THR 118 H THR 118 180.942 -3.980 -11.587 309 HA THR 118 HA THR 118 179.008 -6.265 -11.736 310 HB THR 118 HB THR 118 181.638 -5.925 -13.180 311 HG1 THR 118 HG1 THR 118 179.037 -5.239 -14.069 312 1HG2 THR 118 1HG2 THR 118 180.118 -7.394 -14.810 313 2HG2 THR 118 2HG2 THR 118 179.326 -7.802 -13.288 314 3HG2 THR 118 3HG2 THR 118 181.046 -8.126 -13.501 315 H ASP 119 H ASP 119 179.618 -8.224 -10.641 316 HA ASP 119 HA ASP 119 181.066 -8.309 -8.350 317 1HB ASP 119 2HB ASP 119 179.721 -10.115 -9.483 318 2HB ASP 119 1HB ASP 119 181.152 -10.495 -10.443 319 H ALA 120 H ALA 120 182.547 -8.303 -11.559 320 HA ALA 120 HA ALA 120 185.218 -9.096 -10.770 321 1HB ALA 120 1HB ALA 120 185.661 -7.630 -12.928 322 2HB ALA 120 2HB ALA 120 183.902 -7.625 -13.044 323 3HB ALA 120 3HB ALA 120 184.784 -9.152 -13.076 324 H GLU 121 H GLU 121 183.706 -5.873 -11.318 325 HA GLU 121 HA GLU 121 185.963 -4.405 -10.232 326 1HB GLU 121 2HB GLU 121 183.100 -3.750 -10.975 327 2HB GLU 121 1HB GLU 121 184.247 -2.530 -10.424 328 1HG GLU 121 2HG GLU 121 185.773 -3.122 -12.270 329 2HG GLU 121 1HG GLU 121 184.626 -4.342 -12.825 330 H VAL 122 H VAL 122 182.948 -5.700 -8.941 331 HA VAL 122 HA VAL 122 183.038 -4.182 -6.433 332 HB VAL 122 HB VAL 122 181.533 -6.698 -7.235 333 1HG1 VAL 122 1HG1 VAL 122 181.335 -4.761 -4.933 334 2HG1 VAL 122 2HG1 VAL 122 181.313 -6.524 -4.900 335 3HG1 VAL 122 3HG1 VAL 122 179.904 -5.636 -5.483 336 1HG2 VAL 122 1HG2 VAL 122 181.137 -4.752 -8.753 337 2HG2 VAL 122 2HG2 VAL 122 180.664 -3.790 -7.352 338 3HG2 VAL 122 3HG2 VAL 122 179.700 -5.189 -7.829 339 H ASP 123 H ASP 123 184.167 -7.368 -7.541 340 HA ASP 123 HA ASP 123 184.747 -8.397 -4.910 341 1HB ASP 123 2HB ASP 123 184.457 -9.771 -6.959 342 2HB ASP 123 1HB ASP 123 185.930 -9.069 -7.631 343 H GLU 124 H GLU 124 186.762 -6.665 -7.316 344 HA GLU 124 HA GLU 124 189.264 -6.791 -5.910 345 1HB GLU 124 2HB GLU 124 189.790 -4.792 -7.280 346 2HB GLU 124 1HB GLU 124 189.096 -6.105 -8.219 347 1HG GLU 124 2HG GLU 124 186.937 -4.999 -8.256 348 2HG GLU 124 1HG GLU 124 187.521 -3.735 -7.176 349 H LEU 125 H LEU 125 186.538 -4.482 -5.677 350 HA LEU 125 HA LEU 125 187.805 -2.693 -3.804 351 1HB LEU 125 2HB LEU 125 185.621 -2.654 -5.378 352 2HB LEU 125 1HB LEU 125 184.849 -3.081 -3.854 353 HG LEU 125 HG LEU 125 184.882 -0.642 -4.140 354 1HD1 LEU 125 1HD1 LEU 125 185.452 -0.188 -1.960 355 2HD1 LEU 125 2HD1 LEU 125 186.997 -1.032 -2.076 356 3HD1 LEU 125 3HD1 LEU 125 185.502 -1.949 -1.878 357 1HD2 LEU 125 1HD2 LEU 125 187.229 -0.980 -5.440 358 2HD2 LEU 125 2HD2 LEU 125 187.839 -0.495 -3.857 359 3HD2 LEU 125 3HD2 LEU 125 186.737 0.564 -4.740 360 H LEU 126 H LEU 126 185.517 -5.392 -3.444 361 HA LEU 126 HA LEU 126 185.061 -5.253 -0.647 362 1HB LEU 126 2HB LEU 126 184.980 -7.393 -2.752 363 2HB LEU 126 1HB LEU 126 184.650 -7.805 -1.070 364 HG LEU 126 HG LEU 126 183.243 -5.561 -2.539 365 1HD1 LEU 126 1HD1 LEU 126 181.308 -7.220 -2.540 366 2HD1 LEU 126 2HD1 LEU 126 182.493 -8.467 -2.155 367 3HD1 LEU 126 3HD1 LEU 126 182.614 -7.575 -3.671 368 1HD2 LEU 126 1HD2 LEU 126 181.595 -6.361 -0.543 369 2HD2 LEU 126 2HD2 LEU 126 182.816 -5.106 -0.328 370 3HD2 LEU 126 3HD2 LEU 126 183.153 -6.759 0.184 371 H LYS 127 H LYS 127 187.925 -6.265 -2.343 372 HA LYS 127 HA LYS 127 188.993 -8.249 -0.687 373 1HB LYS 127 2HB LYS 127 190.051 -6.099 -2.456 374 2HB LYS 127 1HB LYS 127 191.209 -6.962 -1.445 375 1HG LYS 127 2HG LYS 127 189.971 -9.102 -2.323 376 2HG LYS 127 1HG LYS 127 189.437 -8.036 -3.623 377 1HD LYS 127 2HD LYS 127 192.312 -7.806 -3.012 378 2HD LYS 127 1HD LYS 127 191.834 -9.403 -3.588 379 1HE LYS 127 2HE LYS 127 190.605 -8.203 -5.491 380 2HE LYS 127 1HE LYS 127 191.483 -6.742 -4.994 381 1HZ LYS 127 1HZ LYS 127 192.807 -7.896 -6.602 382 2HZ LYS 127 2HZ LYS 127 192.664 -9.361 -5.754 383 3HZ LYS 127 3HZ LYS 127 193.551 -8.073 -5.090 384 H GLY 128 H GLY 128 188.537 -4.851 0.018 385 1HA GLY 128 2HA GLY 128 190.245 -5.111 2.456 386 2HA GLY 128 1HA GLY 128 189.984 -3.584 1.613 387 H VAL 129 H VAL 129 187.309 -5.812 2.012 388 HA VAL 129 HA VAL 129 186.079 -3.880 3.951 389 HB VAL 129 HB VAL 129 184.853 -5.919 2.049 390 1HG1 VAL 129 1HG1 VAL 129 182.775 -5.328 2.833 391 2HG1 VAL 129 2HG1 VAL 129 183.276 -3.684 3.226 392 3HG1 VAL 129 3HG1 VAL 129 183.686 -5.012 4.309 393 1HG2 VAL 129 1HG2 VAL 129 185.871 -4.071 0.826 394 2HG2 VAL 129 2HG2 VAL 129 185.101 -2.898 1.896 395 3HG2 VAL 129 3HG2 VAL 129 184.118 -3.873 0.804 396 H GLU 130 H GLU 130 185.878 -4.512 5.947 397 HA GLU 130 HA GLU 130 186.238 -7.392 6.685 398 1HB GLU 130 2HB GLU 130 187.689 -5.481 7.528 399 2HB GLU 130 1HB GLU 130 186.274 -4.914 8.415 400 1HG GLU 130 2HG GLU 130 186.162 -6.931 9.704 401 2HG GLU 130 1HG GLU 130 187.346 -7.732 8.670 402 H VAL 131 H VAL 131 184.262 -8.368 6.700 403 HA VAL 131 HA VAL 131 181.866 -7.038 7.878 404 HB VAL 131 HB VAL 131 180.746 -9.076 7.082 405 1HG1 VAL 131 1HG1 VAL 131 181.753 -7.153 5.499 406 2HG1 VAL 131 2HG1 VAL 131 180.845 -8.523 4.857 407 3HG1 VAL 131 3HG1 VAL 131 182.608 -8.538 4.820 408 1HG2 VAL 131 1HG2 VAL 131 181.947 -10.993 7.179 409 2HG2 VAL 131 2HG2 VAL 131 183.482 -10.127 7.166 410 3HG2 VAL 131 3HG2 VAL 131 182.669 -10.500 5.647 411 H ASP 132 H ASP 132 180.682 -8.213 9.629 412 HA ASP 132 HA ASP 132 182.602 -9.160 11.677 413 1HB ASP 132 2HB ASP 132 179.691 -8.328 11.647 414 2HB ASP 132 1HB ASP 132 180.509 -8.898 13.102 415 H SER 133 H SER 133 181.327 -10.832 13.219 416 HA SER 133 HA SER 133 181.242 -13.350 11.796 417 1HB SER 133 2HB SER 133 180.845 -12.340 14.580 418 2HB SER 133 1HB SER 133 180.298 -13.973 14.210 419 HG SER 133 HG SER 133 182.605 -13.561 14.905 420 H ASN 134 H ASN 134 178.848 -10.971 11.933 421 HA ASN 134 HA ASN 134 176.627 -12.971 11.858 422 1HB ASN 134 2HB ASN 134 175.228 -10.984 12.351 423 2HB ASN 134 1HB ASN 134 176.498 -11.181 13.555 424 1HD2 ASN 134 1HD2 ASN 134 175.804 -8.690 13.691 425 2HD2 ASN 134 2HD2 ASN 134 176.748 -7.632 12.757 426 H GLY 135 H GLY 135 178.553 -10.955 9.849 427 1HA GLY 135 2HA GLY 135 178.440 -10.906 7.468 428 2HA GLY 135 1HA GLY 135 176.815 -11.582 7.554 429 H GLU 136 H GLU 136 177.716 -8.834 9.513 430 HA GLU 136 HA GLU 136 175.836 -7.138 7.909 431 1HB GLU 136 2HB GLU 136 176.695 -7.183 10.812 432 2HB GLU 136 1HB GLU 136 175.704 -5.897 10.124 433 1HG GLU 136 2HG GLU 136 174.014 -7.560 9.438 434 2HG GLU 136 1HG GLU 136 175.002 -8.847 10.129 435 H ILE 137 H ILE 137 176.523 -5.234 7.089 436 HA ILE 137 HA ILE 137 179.263 -4.249 7.807 437 HB ILE 137 HB ILE 137 177.947 -4.482 5.080 438 1HG1 ILE 137 2HG1 ILE 137 180.177 -5.888 4.816 439 2HG1 ILE 137 1HG1 ILE 137 180.043 -6.030 6.567 440 1HG2 ILE 137 1HG2 ILE 137 180.612 -3.321 5.937 441 2HG2 ILE 137 2HG2 ILE 137 179.298 -2.476 5.120 442 3HG2 ILE 137 3HG2 ILE 137 180.212 -3.719 4.266 443 1HD1 ILE 137 1HD1 ILE 137 178.365 -7.528 6.400 444 2HD1 ILE 137 2HD1 ILE 137 178.731 -7.614 4.678 445 3HD1 ILE 137 3HD1 ILE 137 177.482 -6.514 5.258 446 H ASP 138 H ASP 138 179.387 -2.043 8.071 447 HA ASP 138 HA ASP 138 176.970 -0.525 8.480 448 1HB ASP 138 2HB ASP 138 179.204 -0.253 9.622 449 2HB ASP 138 1HB ASP 138 179.819 0.466 8.135 450 H TYR 139 H TYR 139 175.721 0.071 6.700 451 HA TYR 139 HA TYR 139 176.653 0.316 4.017 452 1HB TYR 139 2HB TYR 139 174.436 1.155 3.589 453 2HB TYR 139 1HB TYR 139 174.329 -0.102 4.811 454 HD1 TYR 139 HD1 TYR 139 174.034 3.496 4.134 455 HD2 TYR 139 HD2 TYR 139 173.799 0.440 7.143 456 HE1 TYR 139 HE1 TYR 139 172.876 5.080 5.650 457 HE2 TYR 139 HE2 TYR 139 172.644 2.024 8.657 458 HH TYR 139 HH TYR 139 171.383 5.011 7.584 459 H LYS 140 H LYS 140 176.447 2.749 6.606 460 HA LYS 140 HA LYS 140 176.734 5.022 4.880 461 1HB LYS 140 2HB LYS 140 177.067 4.440 7.813 462 2HB LYS 140 1HB LYS 140 177.534 6.020 7.186 463 1HG LYS 140 2HG LYS 140 175.085 5.691 6.007 464 2HG LYS 140 1HG LYS 140 174.845 4.854 7.540 465 1HD LYS 140 2HD LYS 140 175.907 6.931 8.637 466 2HD LYS 140 1HD LYS 140 175.628 7.731 7.090 467 1HE LYS 140 2HE LYS 140 173.235 7.318 7.236 468 2HE LYS 140 1HE LYS 140 173.459 6.338 8.699 469 1HZ LYS 140 1HZ LYS 140 174.071 9.224 8.362 470 2HZ LYS 140 2HZ LYS 140 174.565 8.309 9.705 471 3HZ LYS 140 3HZ LYS 140 172.911 8.539 9.391 472 H LYS 141 H LYS 141 179.000 2.901 6.547 473 HA LYS 141 HA LYS 141 181.371 4.508 6.155 474 1HB LYS 141 2HB LYS 141 180.845 1.588 6.761 475 2HB LYS 141 1HB LYS 141 182.462 2.292 6.758 476 1HG LYS 141 2HG LYS 141 180.213 3.476 8.392 477 2HG LYS 141 1HG LYS 141 181.252 2.199 9.025 478 1HD LYS 141 2HD LYS 141 183.239 3.594 8.603 479 2HD LYS 141 1HD LYS 141 182.209 4.872 7.958 480 1HE LYS 141 2HE LYS 141 182.361 5.618 10.147 481 2HE LYS 141 1HE LYS 141 180.993 4.504 10.347 482 1HZ LYS 141 1HZ LYS 141 182.657 3.933 11.952 483 2HZ LYS 141 2HZ LYS 141 183.870 3.888 10.762 484 3HZ LYS 141 3HZ LYS 141 182.635 2.720 10.768 485 H PHE 142 H PHE 142 180.079 1.646 4.417 486 HA PHE 142 HA PHE 142 182.257 1.559 2.550 487 1HB PHE 142 2HB PHE 142 180.694 -0.314 3.226 488 2HB PHE 142 1HB PHE 142 179.448 0.448 2.241 489 HD1 PHE 142 HD1 PHE 142 179.130 -0.860 0.320 490 HD2 PHE 142 HD2 PHE 142 183.130 -0.036 1.665 491 HE1 PHE 142 HE1 PHE 142 180.047 -1.993 -1.693 492 HE2 PHE 142 HE2 PHE 142 184.039 -1.165 -0.345 493 HZ PHE 142 HZ PHE 142 182.498 -2.143 -2.022 494 H ILE 143 H ILE 143 179.172 3.302 2.540 495 HA ILE 143 HA ILE 143 179.329 3.974 -0.318 496 HB ILE 143 HB ILE 143 177.221 3.676 1.045 497 1HG1 ILE 143 2HG1 ILE 143 176.464 6.214 0.252 498 2HG1 ILE 143 1HG1 ILE 143 177.895 5.924 -0.736 499 1HG2 ILE 143 1HG2 ILE 143 176.504 5.471 2.530 500 2HG2 ILE 143 2HG2 ILE 143 177.995 6.360 2.224 501 3HG2 ILE 143 3HG2 ILE 143 178.046 4.828 3.094 502 1HD1 ILE 143 1HD1 ILE 143 176.677 3.528 -1.009 503 2HD1 ILE 143 2HD1 ILE 143 176.369 4.884 -2.095 504 3HD1 ILE 143 3HD1 ILE 143 175.258 4.549 -0.766 505 H GLU 144 H GLU 144 179.959 5.734 2.753 506 HA GLU 144 HA GLU 144 180.697 8.228 1.537 507 1HB GLU 144 2HB GLU 144 181.472 6.815 4.107 508 2HB GLU 144 1HB GLU 144 181.915 8.487 3.756 509 1HG GLU 144 2HG GLU 144 179.547 9.092 3.528 510 2HG GLU 144 1HG GLU 144 179.076 7.419 3.817 511 H ASP 145 H ASP 145 182.432 5.192 1.912 512 HA ASP 145 HA ASP 145 185.003 6.447 1.174 513 1HB ASP 145 2HB ASP 145 184.866 4.609 2.856 514 2HB ASP 145 1HB ASP 145 184.197 3.545 1.620 515 H VAL 146 H VAL 146 182.282 5.184 -0.466 516 HA VAL 146 HA VAL 146 183.860 4.514 -2.903 517 HB VAL 146 HB VAL 146 180.947 4.237 -2.070 518 1HG1 VAL 146 1HG1 VAL 146 180.690 4.525 -4.374 519 2HG1 VAL 146 2HG1 VAL 146 180.967 2.786 -4.279 520 3HG1 VAL 146 3HG1 VAL 146 182.285 3.865 -4.736 521 1HG2 VAL 146 1HG2 VAL 146 181.411 1.993 -1.742 522 2HG2 VAL 146 2HG2 VAL 146 182.976 2.686 -1.319 523 3HG2 VAL 146 3HG2 VAL 146 182.726 1.984 -2.917 524 H LEU 147 H LEU 147 181.352 6.686 -1.664 525 HA LEU 147 HA LEU 147 180.855 8.293 -3.982 526 1HB LEU 147 2HB LEU 147 179.936 8.121 -1.437 527 2HB LEU 147 1HB LEU 147 180.945 9.559 -1.296 528 HG LEU 147 HG LEU 147 179.760 10.338 -3.475 529 1HD1 LEU 147 1HD1 LEU 147 177.885 8.178 -2.472 530 2HD1 LEU 147 2HD1 LEU 147 178.665 8.253 -4.052 531 3HD1 LEU 147 3HD1 LEU 147 177.421 9.428 -3.626 532 1HD2 LEU 147 1HD2 LEU 147 178.074 11.446 -2.177 533 2HD2 LEU 147 2HD2 LEU 147 179.451 11.217 -1.099 534 3HD2 LEU 147 3HD2 LEU 147 178.052 10.151 -0.981 535 H ARG 148 H ARG 148 183.490 8.327 -1.680 536 HA ARG 148 HA ARG 148 184.601 10.882 -2.035 537 1HB ARG 148 2HB ARG 148 185.633 8.129 -1.477 538 2HB ARG 148 1HB ARG 148 186.803 9.420 -1.753 539 1HG ARG 148 2HG ARG 148 184.510 9.812 0.162 540 2HG ARG 148 1HG ARG 148 185.990 9.004 0.682 541 1HD ARG 148 2HD ARG 148 187.323 10.966 0.001 542 2HD ARG 148 1HD ARG 148 185.844 11.782 -0.546 543 HE ARG 148 HE ARG 148 185.919 10.805 2.258 544 1HH1 ARG 148 1HH2 ARG 148 187.563 13.330 1.224 545 2HH1 ARG 148 2HH2 ARG 148 186.523 14.581 1.818 546 1HH2 ARG 148 2HH1 ARG 148 183.884 12.436 2.489 547 2HH2 ARG 148 1HH1 ARG 148 184.440 14.075 2.534 548 H GLN 149 HN GLN 149 184.989 7.994 -4.094 549 HA GLN 149 HA GLN 149 186.876 9.237 -5.930 550 1HB GLN 149 2HB GLN 149 186.676 6.797 -5.477 551 2HB GLN 149 1HB GLN 149 185.073 6.809 -6.211 552 1HG GLN 149 2HG GLN 149 186.049 7.585 -8.342 553 2HG GLN 149 1HG GLN 149 187.654 7.569 -7.610 554 1HE2 GLN 149 1HE2 GLN 149 188.767 5.732 -8.276 555 2HE2 GLN 149 2HE2 GLN 149 188.084 4.189 -8.459 Start of MODEL 7 1 1H LYS 80 H LYS 80 177.419 13.684 -8.955 2 HA LYS 80 HA LYS 80 177.439 16.544 -8.062 3 1HB LYS 80 2HB LYS 80 176.037 15.270 -10.432 4 2HB LYS 80 1HB LYS 80 175.697 16.903 -9.857 5 1HG LYS 80 2HG LYS 80 178.060 17.523 -10.207 6 2HG LYS 80 1HG LYS 80 178.401 15.893 -10.785 7 1HD LYS 80 2HD LYS 80 176.787 16.203 -12.625 8 2HD LYS 80 1HD LYS 80 176.446 17.835 -12.051 9 1HE LYS 80 2HE LYS 80 178.062 18.160 -13.767 10 2HE LYS 80 1HE LYS 80 179.024 18.205 -12.276 11 1HZ LYS 80 1HZ LYS 80 179.937 16.657 -13.951 12 2HZ LYS 80 2HZ LYS 80 178.501 15.752 -13.871 13 3HZ LYS 80 3HZ LYS 80 179.506 15.878 -12.507 14 H ALA 81 H ALA 81 176.747 13.923 -6.753 15 HA ALA 81 HA ALA 81 173.823 14.348 -6.177 16 1HB ALA 81 1HB ALA 81 175.478 11.881 -5.658 17 2HB ALA 81 2HB ALA 81 174.787 12.197 -7.250 18 3HB ALA 81 3HB ALA 81 173.729 12.010 -5.852 19 H LYS 82 H LYS 82 173.216 14.037 -3.875 20 HA LYS 82 HA LYS 82 175.438 14.812 -2.017 21 1HB LYS 82 2HB LYS 82 172.419 15.105 -1.894 22 2HB LYS 82 1HB LYS 82 173.541 15.688 -0.664 23 1HG LYS 82 2HG LYS 82 173.629 16.533 -3.574 24 2HG LYS 82 1HG LYS 82 172.840 17.462 -2.300 25 1HD LYS 82 2HD LYS 82 175.041 17.469 -1.060 26 2HD LYS 82 1HD LYS 82 175.779 16.760 -2.497 27 1HE LYS 82 2HE LYS 82 174.154 19.302 -2.690 28 2HE LYS 82 1HE LYS 82 175.882 19.338 -2.288 29 1HZ LYS 82 1HZ LYS 82 175.669 19.423 -4.658 30 2HZ LYS 82 2HZ LYS 82 174.631 18.078 -4.670 31 3HZ LYS 82 3HZ LYS 82 176.264 17.891 -4.243 32 H THR 83 H THR 83 175.421 13.908 0.079 33 HA THR 83 HA THR 83 175.343 11.093 0.287 34 HB THR 83 HB THR 83 174.734 12.942 2.604 35 HG1 THR 83 HG1 THR 83 177.035 13.293 2.616 36 1HG2 THR 83 1HG2 THR 83 175.049 10.920 3.602 37 2HG2 THR 83 2HG2 THR 83 176.759 11.272 3.351 38 3HG2 THR 83 3HG2 THR 83 175.892 10.251 2.205 39 H GLU 84 H GLU 84 172.798 13.447 0.732 40 HA GLU 84 HA GLU 84 170.768 12.026 2.052 41 1HB GLU 84 2HB GLU 84 170.752 14.005 -0.249 42 2HB GLU 84 1HB GLU 84 169.285 13.531 0.619 43 1HG GLU 84 2HG GLU 84 170.288 14.300 2.744 44 2HG GLU 84 1HG GLU 84 171.747 14.779 1.879 45 H ASP 85 H ASP 85 171.657 11.909 -1.392 46 HA ASP 85 HA ASP 85 169.465 10.321 -2.319 47 1HB ASP 85 2HB ASP 85 171.476 11.622 -3.479 48 2HB ASP 85 1HB ASP 85 172.234 10.030 -3.438 49 H PHE 86 H PHE 86 172.745 9.352 -1.298 50 HA PHE 86 HA PHE 86 172.238 6.493 -1.465 51 1HB PHE 86 2HB PHE 86 174.371 8.369 -0.628 52 2HB PHE 86 1HB PHE 86 174.400 6.799 0.175 53 HD1 PHE 86 HD1 PHE 86 175.864 8.438 -2.426 54 HD2 PHE 86 HD2 PHE 86 173.600 4.856 -1.718 55 HE1 PHE 86 HE1 PHE 86 176.845 7.412 -4.460 56 HE2 PHE 86 HE2 PHE 86 174.585 3.831 -3.749 57 HZ PHE 86 HZ PHE 86 176.206 5.108 -5.121 58 H VAL 87 H VAL 87 172.140 8.870 1.213 59 HA VAL 87 HA VAL 87 171.915 6.948 3.308 60 HB VAL 87 HB VAL 87 170.962 9.823 3.084 61 1HG1 VAL 87 1HG1 VAL 87 169.904 8.758 5.004 62 2HG1 VAL 87 2HG1 VAL 87 171.198 9.810 5.580 63 3HG1 VAL 87 3HG1 VAL 87 171.444 8.066 5.511 64 1HG2 VAL 87 1HG2 VAL 87 173.108 10.466 3.585 65 2HG2 VAL 87 2HG2 VAL 87 173.500 8.934 2.809 66 3HG2 VAL 87 3HG2 VAL 87 173.421 9.035 4.567 67 H LYS 88 H LYS 88 169.418 8.809 1.534 68 HA LYS 88 HA LYS 88 167.114 7.903 2.917 69 1HB LYS 88 2HB LYS 88 167.653 8.802 0.081 70 2HB LYS 88 1HB LYS 88 166.023 8.500 0.678 71 1HG LYS 88 2HG LYS 88 167.963 10.367 2.062 72 2HG LYS 88 1HG LYS 88 166.806 10.915 0.850 73 1HD LYS 88 2HD LYS 88 164.968 9.918 2.238 74 2HD LYS 88 1HD LYS 88 166.164 9.560 3.484 75 1HE LYS 88 2HE LYS 88 166.713 11.961 3.670 76 2HE LYS 88 1HE LYS 88 165.519 12.330 2.409 77 1HZ LYS 88 1HZ LYS 88 163.854 11.145 3.790 78 2HZ LYS 88 2HZ LYS 88 164.450 12.559 4.519 79 3HZ LYS 88 3HZ LYS 88 165.003 11.037 5.033 80 H ALA 89 H ALA 89 168.865 6.432 0.215 81 HA ALA 89 HA ALA 89 166.969 4.437 -0.533 82 1HB ALA 89 1HB ALA 89 169.996 4.549 -0.568 83 2HB ALA 89 2HB ALA 89 168.894 4.963 -1.882 84 3HB ALA 89 3HB ALA 89 169.065 3.283 -1.370 85 H PHE 90 H PHE 90 169.823 3.973 1.617 86 HA PHE 90 HA PHE 90 168.868 1.356 2.457 87 1HB PHE 90 2HB PHE 90 171.094 3.209 3.343 88 2HB PHE 90 1HB PHE 90 170.887 1.571 3.968 89 HD1 PHE 90 HD1 PHE 90 172.534 3.467 1.514 90 HD2 PHE 90 HD2 PHE 90 170.444 -0.253 2.034 91 HE1 PHE 90 HE1 PHE 90 173.672 2.547 -0.485 92 HE2 PHE 90 HE2 PHE 90 171.582 -1.168 0.030 93 HZ PHE 90 HZ PHE 90 173.196 0.230 -1.228 94 H GLN 91 H GLN 91 169.348 4.423 4.271 95 HA GLN 91 HA GLN 91 168.438 3.685 6.767 96 1HB GLN 91 2HB GLN 91 168.033 6.237 5.197 97 2HB GLN 91 1HB GLN 91 167.691 6.113 6.922 98 1HG GLN 91 2HG GLN 91 170.364 5.373 5.709 99 2HG GLN 91 1HG GLN 91 170.008 6.970 6.371 100 1HE2 GLN 91 1HE2 GLN 91 170.701 3.632 7.209 101 2HE2 GLN 91 2HE2 GLN 91 170.724 3.859 8.891 102 H VAL 92 H VAL 92 166.244 4.557 4.037 103 HA VAL 92 HA VAL 92 163.853 4.628 5.570 104 HB VAL 92 HB VAL 92 162.755 4.120 3.367 105 1HG1 VAL 92 1HG1 VAL 92 163.153 6.385 3.544 106 2HG1 VAL 92 2HG1 VAL 92 164.147 6.020 2.135 107 3HG1 VAL 92 3HG1 VAL 92 164.894 6.174 3.726 108 1HG2 VAL 92 1HG2 VAL 92 163.989 2.673 2.095 109 2HG2 VAL 92 2HG2 VAL 92 165.522 3.223 2.764 110 3HG2 VAL 92 3HG2 VAL 92 164.729 4.157 1.498 111 H PHE 93 H PHE 93 165.635 1.886 4.222 112 HA PHE 93 HA PHE 93 163.632 -0.138 4.767 113 1HB PHE 93 2HB PHE 93 166.538 0.024 4.095 114 2HB PHE 93 1HB PHE 93 165.962 -1.492 4.786 115 HD1 PHE 93 HD1 PHE 93 164.413 -2.921 3.589 116 HD2 PHE 93 HD2 PHE 93 165.639 0.857 1.951 117 HE1 PHE 93 HE1 PHE 93 163.451 -3.560 1.394 118 HE2 PHE 93 HE2 PHE 93 164.675 0.218 -0.242 119 HZ PHE 93 HZ PHE 93 163.582 -1.990 -0.521 120 H ASP 94 H ASP 94 166.474 1.090 6.594 121 HA ASP 94 HA ASP 94 166.260 -0.691 8.821 122 1HB ASP 94 2HB ASP 94 167.338 2.120 8.469 123 2HB ASP 94 1HB ASP 94 167.575 1.181 9.942 124 H LYS 95 H LYS 95 163.866 -0.697 9.138 125 HA LYS 95 HA LYS 95 162.335 1.574 9.935 126 1HB LYS 95 2HB LYS 95 162.155 -1.382 10.591 127 2HB LYS 95 1HB LYS 95 160.876 -0.223 10.959 128 1HG LYS 95 2HG LYS 95 162.009 -0.618 8.178 129 2HG LYS 95 1HG LYS 95 160.577 -1.463 8.770 130 1HD LYS 95 2HD LYS 95 159.582 0.802 9.312 131 2HD LYS 95 1HD LYS 95 160.942 1.528 8.454 132 1HE LYS 95 2HE LYS 95 160.311 0.433 6.383 133 2HE LYS 95 1HE LYS 95 159.056 -0.507 7.214 134 1HZ LYS 95 1HZ LYS 95 158.203 1.543 6.132 135 2HZ LYS 95 2HZ LYS 95 159.164 2.461 7.191 136 3HZ LYS 95 3HZ LYS 95 157.913 1.487 7.803 137 H GLU 96 H GLU 96 164.292 -0.716 11.882 138 HA GLU 96 HA GLU 96 163.636 0.761 14.365 139 1HB GLU 96 2HB GLU 96 165.220 -1.726 13.668 140 2HB GLU 96 1HB GLU 96 165.084 -1.107 15.314 141 1HG GLU 96 2HG GLU 96 162.712 -1.803 13.559 142 2HG GLU 96 1HG GLU 96 163.389 -2.878 14.782 143 H SER 97 H SER 97 165.459 1.801 12.032 144 HA SER 97 HA SER 97 167.531 2.812 11.743 145 1HB SER 97 2HB SER 97 166.162 3.706 14.226 146 2HB SER 97 1HB SER 97 167.781 4.337 13.940 147 HG SER 97 HG SER 97 165.751 5.390 12.970 148 H THR 98 H THR 98 168.597 0.471 12.139 149 HA THR 98 HA THR 98 170.221 0.421 14.630 150 HB THR 98 HB THR 98 170.873 -1.807 13.792 151 HG1 THR 98 HG1 THR 98 169.246 -1.291 11.539 152 1HG2 THR 98 1HG2 THR 98 167.932 -1.586 13.209 153 2HG2 THR 98 2HG2 THR 98 168.539 -1.286 14.837 154 3HG2 THR 98 3HG2 THR 98 168.799 -2.855 14.074 155 H GLY 99 H GLY 99 170.549 0.908 11.154 156 1HA GLY 99 2HA GLY 99 172.221 2.274 10.127 157 2HA GLY 99 1HA GLY 99 173.172 2.189 11.604 158 H LYS 100 H LYS 100 171.994 -0.868 10.526 159 HA LYS 100 HA LYS 100 174.609 -1.438 9.184 160 1HB LYS 100 2HB LYS 100 173.116 -2.960 11.337 161 2HB LYS 100 1HB LYS 100 174.467 -3.647 10.433 162 1HG LYS 100 2HG LYS 100 174.641 -1.041 11.969 163 2HG LYS 100 1HG LYS 100 175.116 -2.601 12.642 164 1HD LYS 100 2HD LYS 100 176.597 -2.840 10.535 165 2HD LYS 100 1HD LYS 100 176.348 -1.106 10.330 166 1HE LYS 100 2HE LYS 100 178.312 -1.169 11.628 167 2HE LYS 100 1HE LYS 100 177.060 -1.003 12.876 168 1HZ LYS 100 1HZ LYS 100 178.315 -3.517 11.918 169 2HZ LYS 100 2HZ LYS 100 176.943 -3.473 12.920 170 3HZ LYS 100 3HZ LYS 100 178.423 -2.849 13.474 171 H VAL 101 H VAL 101 174.462 -3.163 7.563 172 HA VAL 101 HA VAL 101 171.787 -4.302 7.023 173 HB VAL 101 HB VAL 101 171.888 -3.461 4.657 174 1HG1 VAL 101 1HG1 VAL 101 172.173 -1.126 6.551 175 2HG1 VAL 101 2HG1 VAL 101 170.783 -2.210 6.630 176 3HG1 VAL 101 3HG1 VAL 101 171.099 -1.287 5.161 177 1HG2 VAL 101 1HG2 VAL 101 174.309 -3.182 4.460 178 2HG2 VAL 101 2HG2 VAL 101 174.298 -1.951 5.722 179 3HG2 VAL 101 3HG2 VAL 101 173.522 -1.631 4.172 180 H SER 102 H SER 102 171.904 -6.065 5.415 181 HA SER 102 HA SER 102 174.392 -7.616 5.651 182 1HB SER 102 2HB SER 102 172.923 -9.214 4.276 183 2HB SER 102 1HB SER 102 172.326 -8.773 5.872 184 HG SER 102 HG SER 102 170.769 -8.601 4.124 185 H VAL 103 H VAL 103 175.801 -8.101 3.936 186 HA VAL 103 HA VAL 103 176.214 -6.233 1.844 187 HB VAL 103 HB VAL 103 177.873 -7.837 2.736 188 1HG1 VAL 103 1HG1 VAL 103 176.248 -9.754 2.925 189 2HG1 VAL 103 2HG1 VAL 103 177.785 -10.189 2.179 190 3HG1 VAL 103 3HG1 VAL 103 176.355 -9.946 1.175 191 1HG2 VAL 103 1HG2 VAL 103 177.691 -6.947 0.182 192 2HG2 VAL 103 2HG2 VAL 103 177.705 -8.687 -0.104 193 3HG2 VAL 103 3HG2 VAL 103 179.037 -7.926 0.766 194 H GLY 104 H GLY 104 174.373 -9.305 1.801 195 1HA GLY 104 2HA GLY 104 173.893 -9.416 -0.994 196 2HA GLY 104 1HA GLY 104 172.851 -10.133 0.233 197 H ASP 105 H ASP 105 172.125 -7.744 1.599 198 HA ASP 105 HA ASP 105 170.043 -6.746 -0.209 199 1HB ASP 105 2HB ASP 105 169.810 -7.311 2.251 200 2HB ASP 105 1HB ASP 105 170.784 -5.883 2.601 201 H LEU 106 H LEU 106 172.938 -5.441 1.388 202 HA LEU 106 HA LEU 106 172.648 -2.702 0.691 203 1HB LEU 106 2HB LEU 106 174.291 -3.663 2.282 204 2HB LEU 106 1HB LEU 106 175.153 -4.403 0.932 205 HG LEU 106 HG LEU 106 174.626 -1.456 0.842 206 1HD1 LEU 106 1HD1 LEU 106 175.535 -2.034 3.142 207 2HD1 LEU 106 2HD1 LEU 106 176.553 -0.955 2.187 208 3HD1 LEU 106 3HD1 LEU 106 176.971 -2.662 2.332 209 1HD2 LEU 106 1HD2 LEU 106 176.526 -3.459 -0.298 210 2HD2 LEU 106 2HD2 LEU 106 177.131 -1.823 -0.046 211 3HD2 LEU 106 3HD2 LEU 106 175.729 -2.095 -1.082 212 H ARG 107 H ARG 107 174.408 -5.296 -1.070 213 HA ARG 107 HA ARG 107 175.161 -3.655 -3.299 214 1HB ARG 107 2HB ARG 107 176.043 -5.944 -2.515 215 2HB ARG 107 1HB ARG 107 174.649 -6.641 -3.339 216 1HG ARG 107 2HG ARG 107 175.428 -5.277 -5.396 217 2HG ARG 107 1HG ARG 107 176.959 -5.105 -4.533 218 1HD ARG 107 2HD ARG 107 177.066 -7.069 -6.010 219 2HD ARG 107 1HD ARG 107 177.054 -7.611 -4.320 220 HE ARG 107 HE ARG 107 174.859 -8.455 -4.648 221 1HH1 ARG 107 1HH2 ARG 107 176.163 -7.871 -7.610 222 2HH1 ARG 107 2HH2 ARG 107 174.674 -7.564 -8.438 223 1HH2 ARG 107 2HH1 ARG 107 172.783 -7.414 -5.535 224 2HH2 ARG 107 1HH1 ARG 107 172.760 -7.305 -7.264 225 H TYR 108 H TYR 108 172.203 -5.441 -2.580 226 HA TYR 108 HA TYR 108 171.139 -5.430 -5.261 227 1HB TYR 108 2HB TYR 108 170.394 -6.885 -3.369 228 2HB TYR 108 1HB TYR 108 169.719 -5.463 -2.574 229 HD1 TYR 108 HD1 TYR 108 169.372 -7.810 -5.391 230 HD2 TYR 108 HD2 TYR 108 167.730 -4.344 -3.454 231 HE1 TYR 108 HE1 TYR 108 167.292 -8.052 -6.719 232 HE2 TYR 108 HE2 TYR 108 165.651 -4.587 -4.782 233 HH TYR 108 HH TYR 108 165.290 -5.979 -7.393 234 H MET 109 H MET 109 170.555 -3.230 -2.483 235 HA MET 109 HA MET 109 168.809 -1.509 -3.975 236 1HB MET 109 2HB MET 109 170.209 -1.565 -1.364 237 2HB MET 109 1HB MET 109 169.689 0.024 -1.925 238 1HG MET 109 2HG MET 109 167.577 -1.888 -2.401 239 2HG MET 109 1HG MET 109 168.107 -2.007 -0.727 240 1HE MET 109 1HE MET 109 167.817 0.310 -3.521 241 2HE MET 109 2HE MET 109 168.264 1.762 -2.632 242 3HE MET 109 3HE MET 109 166.587 1.511 -3.106 243 H LEU 110 H LEU 110 172.320 -1.394 -3.261 244 HA LEU 110 HA LEU 110 172.898 1.223 -4.143 245 1HB LEU 110 2HB LEU 110 174.311 -0.796 -3.135 246 2HB LEU 110 1HB LEU 110 174.687 -1.089 -4.833 247 HG LEU 110 HG LEU 110 175.161 1.521 -4.835 248 1HD1 LEU 110 1HD1 LEU 110 176.336 1.969 -2.551 249 2HD1 LEU 110 2HD1 LEU 110 175.293 0.685 -1.942 250 3HD1 LEU 110 3HD1 LEU 110 174.583 2.141 -2.639 251 1HD2 LEU 110 1HD2 LEU 110 177.215 -0.193 -3.457 252 2HD2 LEU 110 2HD2 LEU 110 177.444 0.996 -4.737 253 3HD2 LEU 110 3HD2 LEU 110 176.724 -0.569 -5.108 254 H THR 111 H THR 111 172.622 -1.805 -6.006 255 HA THR 111 HA THR 111 173.297 -0.698 -8.559 256 HB THR 111 HB THR 111 171.842 -2.815 -9.229 257 HG1 THR 111 HG1 THR 111 170.988 -3.727 -7.572 258 1HG2 THR 111 1HG2 THR 111 173.825 -3.959 -9.251 259 2HG2 THR 111 2HG2 THR 111 174.202 -3.543 -7.578 260 3HG2 THR 111 3HG2 THR 111 174.469 -2.363 -8.862 261 H GLY 112 H GLY 112 170.417 -0.545 -6.640 262 1HA GLY 112 2HA GLY 112 168.637 0.131 -8.891 263 2HA GLY 112 1HA GLY 112 168.170 0.018 -7.196 264 H LEU 113 H LEU 113 170.775 1.751 -6.753 265 HA LEU 113 HA LEU 113 169.310 4.306 -6.771 266 1HB LEU 113 2HB LEU 113 170.896 2.950 -4.999 267 2HB LEU 113 1HB LEU 113 172.050 4.094 -5.687 268 HG LEU 113 HG LEU 113 169.331 4.886 -4.603 269 1HD1 LEU 113 1HD1 LEU 113 172.064 5.061 -3.304 270 2HD1 LEU 113 2HD1 LEU 113 170.767 3.976 -2.812 271 3HD1 LEU 113 3HD1 LEU 113 170.571 5.721 -2.638 272 1HD2 LEU 113 1HD2 LEU 113 171.751 6.351 -5.645 273 2HD2 LEU 113 2HD2 LEU 113 170.634 7.136 -4.529 274 3HD2 LEU 113 3HD2 LEU 113 170.058 6.560 -6.094 275 H GLY 114 H GLY 114 171.146 2.894 -9.123 276 1HA GLY 114 2HA GLY 114 171.900 4.209 -11.049 277 2HA GLY 114 1HA GLY 114 172.335 5.509 -9.937 278 H GLU 115 H GLU 115 173.000 2.163 -9.323 279 HA GLU 115 HA GLU 115 175.954 2.690 -9.588 280 1HB GLU 115 2HB GLU 115 174.864 2.223 -7.297 281 2HB GLU 115 1HB GLU 115 174.652 0.572 -7.877 282 1HG GLU 115 2HG GLU 115 176.733 0.408 -6.853 283 2HG GLU 115 1HG GLU 115 177.203 0.783 -8.510 284 H LYS 116 H LYS 116 176.812 1.588 -11.345 285 HA LYS 116 HA LYS 116 175.589 -1.048 -12.000 286 1HB LYS 116 2HB LYS 116 176.596 1.157 -13.838 287 2HB LYS 116 1HB LYS 116 176.220 -0.467 -14.417 288 1HG LYS 116 2HG LYS 116 173.907 -0.229 -13.587 289 2HG LYS 116 1HG LYS 116 174.281 1.396 -13.012 290 1HD LYS 116 2HD LYS 116 174.814 2.094 -15.318 291 2HD LYS 116 1HD LYS 116 174.437 0.471 -15.897 292 1HE LYS 116 2HE LYS 116 172.177 0.812 -15.752 293 2HE LYS 116 1HE LYS 116 172.320 1.752 -14.253 294 1HZ LYS 116 1HZ LYS 116 173.234 3.588 -15.515 295 2HZ LYS 116 2HZ LYS 116 171.711 3.165 -16.139 296 3HZ LYS 116 3HZ LYS 116 173.126 2.697 -16.955 297 H LEU 117 H LEU 117 177.378 -1.326 -10.275 298 HA LEU 117 HA LEU 117 180.084 -1.677 -11.449 299 1HB LEU 117 2HB LEU 117 178.910 -2.178 -8.686 300 2HB LEU 117 1HB LEU 117 180.623 -2.243 -9.100 301 HG LEU 117 HG LEU 117 178.882 0.216 -9.439 302 1HD1 LEU 117 1HD1 LEU 117 180.179 1.076 -7.482 303 2HD1 LEU 117 2HD1 LEU 117 180.878 -0.529 -7.278 304 3HD1 LEU 117 3HD1 LEU 117 179.144 -0.289 -7.066 305 1HD2 LEU 117 1HD2 LEU 117 181.403 1.125 -9.400 306 2HD2 LEU 117 2HD2 LEU 117 180.639 0.583 -10.894 307 3HD2 LEU 117 3HD2 LEU 117 181.726 -0.494 -10.018 308 H THR 118 H THR 118 180.982 -3.828 -11.650 309 HA THR 118 HA THR 118 178.919 -6.007 -11.648 310 HB THR 118 HB THR 118 180.506 -7.015 -13.346 311 HG1 THR 118 HG1 THR 118 182.071 -5.577 -14.173 312 1HG2 THR 118 1HG2 THR 118 179.829 -4.278 -14.325 313 2HG2 THR 118 2HG2 THR 118 178.510 -5.290 -13.737 314 3HG2 THR 118 3HG2 THR 118 179.521 -5.845 -15.071 315 H ASP 119 H ASP 119 179.411 -7.932 -10.480 316 HA ASP 119 HA ASP 119 180.896 -8.060 -8.214 317 1HB ASP 119 2HB ASP 119 179.395 -9.786 -9.289 318 2HB ASP 119 1HB ASP 119 180.790 -10.309 -10.234 319 H ALA 120 H ALA 120 182.286 -8.308 -11.455 320 HA ALA 120 HA ALA 120 184.910 -9.297 -10.780 321 1HB ALA 120 1HB ALA 120 183.754 -7.529 -12.949 322 2HB ALA 120 2HB ALA 120 184.200 -9.231 -13.062 323 3HB ALA 120 3HB ALA 120 185.454 -7.998 -12.932 324 H GLU 121 H GLU 121 183.711 -5.951 -11.263 325 HA GLU 121 HA GLU 121 186.138 -4.733 -10.189 326 1HB GLU 121 2HB GLU 121 183.382 -3.781 -11.000 327 2HB GLU 121 1HB GLU 121 184.611 -2.679 -10.384 328 1HG GLU 121 2HG GLU 121 186.149 -3.363 -12.177 329 2HG GLU 121 1HG GLU 121 184.942 -4.496 -12.788 330 H VAL 122 H VAL 122 182.804 -5.233 -9.020 331 HA VAL 122 HA VAL 122 183.009 -3.887 -6.500 332 HB VAL 122 HB VAL 122 181.406 -6.334 -7.330 333 1HG1 VAL 122 1HG1 VAL 122 181.234 -6.168 -4.961 334 2HG1 VAL 122 2HG1 VAL 122 179.798 -5.341 -5.571 335 3HG1 VAL 122 3HG1 VAL 122 181.185 -4.405 -5.010 336 1HG2 VAL 122 1HG2 VAL 122 180.995 -4.472 -8.840 337 2HG2 VAL 122 2HG2 VAL 122 180.831 -3.362 -7.481 338 3HG2 VAL 122 3HG2 VAL 122 179.620 -4.615 -7.746 339 H ASP 123 H ASP 123 183.973 -7.181 -7.446 340 HA ASP 123 HA ASP 123 184.452 -8.135 -4.780 341 1HB ASP 123 2HB ASP 123 184.265 -9.573 -6.794 342 2HB ASP 123 1HB ASP 123 185.750 -8.868 -7.436 343 H GLU 124 H GLU 124 186.456 -6.360 -7.101 344 HA GLU 124 HA GLU 124 188.965 -6.464 -5.738 345 1HB GLU 124 2HB GLU 124 187.677 -4.296 -7.429 346 2HB GLU 124 1HB GLU 124 189.399 -4.398 -7.060 347 1HG GLU 124 2HG GLU 124 189.101 -6.864 -8.008 348 2HG GLU 124 1HG GLU 124 187.739 -6.125 -8.848 349 H LEU 125 H LEU 125 186.306 -4.079 -5.514 350 HA LEU 125 HA LEU 125 187.491 -2.352 -3.571 351 1HB LEU 125 2HB LEU 125 184.750 -3.034 -4.567 352 2HB LEU 125 1HB LEU 125 184.896 -1.996 -3.151 353 HG LEU 125 HG LEU 125 186.344 -0.452 -4.415 354 1HD1 LEU 125 1HD1 LEU 125 185.833 -2.371 -6.711 355 2HD1 LEU 125 2HD1 LEU 125 187.391 -2.053 -5.948 356 3HD1 LEU 125 3HD1 LEU 125 186.588 -0.787 -6.877 357 1HD2 LEU 125 1HD2 LEU 125 184.621 0.353 -6.014 358 2HD2 LEU 125 2HD2 LEU 125 183.917 -0.090 -4.460 359 3HD2 LEU 125 3HD2 LEU 125 183.768 -1.180 -5.839 360 H LEU 126 H LEU 126 185.395 -5.203 -3.238 361 HA LEU 126 HA LEU 126 184.985 -5.112 -0.415 362 1HB LEU 126 2HB LEU 126 184.919 -7.215 -2.561 363 2HB LEU 126 1HB LEU 126 184.652 -7.666 -0.877 364 HG LEU 126 HG LEU 126 183.131 -5.417 -2.209 365 1HD1 LEU 126 1HD1 LEU 126 181.263 -7.156 -2.319 366 2HD1 LEU 126 2HD1 LEU 126 182.512 -8.374 -2.059 367 3HD1 LEU 126 3HD1 LEU 126 182.563 -7.352 -3.495 368 1HD2 LEU 126 1HD2 LEU 126 181.514 -6.329 -0.299 369 2HD2 LEU 126 2HD2 LEU 126 182.805 -5.187 0.077 370 3HD2 LEU 126 3HD2 LEU 126 183.033 -6.907 0.388 371 H LYS 127 H LYS 127 187.808 -5.998 -2.238 372 HA LYS 127 HA LYS 127 189.045 -7.938 -0.644 373 1HB LYS 127 2HB LYS 127 190.103 -5.591 -2.223 374 2HB LYS 127 1HB LYS 127 191.171 -6.799 -1.510 375 1HG LYS 127 2HG LYS 127 189.990 -8.580 -2.743 376 2HG LYS 127 1HG LYS 127 188.922 -7.374 -3.461 377 1HD LYS 127 2HD LYS 127 190.862 -6.266 -4.505 378 2HD LYS 127 1HD LYS 127 191.935 -7.468 -3.788 379 1HE LYS 127 2HE LYS 127 189.657 -8.572 -5.342 380 2HE LYS 127 1HE LYS 127 190.907 -7.737 -6.286 381 1HZ LYS 127 1HZ LYS 127 191.492 -9.752 -4.185 382 2HZ LYS 127 2HZ LYS 127 192.595 -9.049 -5.269 383 3HZ LYS 127 3HZ LYS 127 191.407 -10.122 -5.838 384 H GLY 128 H GLY 128 188.528 -4.534 0.066 385 1HA GLY 128 2HA GLY 128 190.247 -4.799 2.498 386 2HA GLY 128 1HA GLY 128 189.986 -3.271 1.658 387 H VAL 129 H VAL 129 187.306 -5.494 2.077 388 HA VAL 129 HA VAL 129 186.093 -3.545 4.006 389 HB VAL 129 HB VAL 129 184.861 -5.589 2.117 390 1HG1 VAL 129 1HG1 VAL 129 183.509 -5.123 4.167 391 2HG1 VAL 129 2HG1 VAL 129 182.725 -4.553 2.694 392 3HG1 VAL 129 3HG1 VAL 129 183.538 -3.408 3.760 393 1HG2 VAL 129 1HG2 VAL 129 184.095 -3.513 0.912 394 2HG2 VAL 129 2HG2 VAL 129 185.843 -3.747 0.879 395 3HG2 VAL 129 3HG2 VAL 129 185.132 -2.571 1.984 396 H GLU 130 H GLU 130 185.747 -4.163 6.000 397 HA GLU 130 HA GLU 130 186.213 -7.009 6.804 398 1HB GLU 130 2HB GLU 130 187.554 -5.121 7.734 399 2HB GLU 130 1HB GLU 130 186.071 -4.443 8.405 400 1HG GLU 130 2HG GLU 130 185.730 -6.392 9.796 401 2HG GLU 130 1HG GLU 130 187.069 -7.237 9.019 402 H VAL 131 H VAL 131 184.256 -8.057 6.636 403 HA VAL 131 HA VAL 131 181.746 -6.867 7.661 404 HB VAL 131 HB VAL 131 181.822 -8.273 5.619 405 1HG1 VAL 131 1HG1 VAL 131 182.169 -10.812 6.111 406 2HG1 VAL 131 2HG1 VAL 131 183.053 -10.254 7.529 407 3HG1 VAL 131 3HG1 VAL 131 183.592 -9.790 5.916 408 1HG2 VAL 131 1HG2 VAL 131 180.009 -9.789 6.209 409 2HG2 VAL 131 2HG2 VAL 131 179.810 -8.273 7.086 410 3HG2 VAL 131 3HG2 VAL 131 180.449 -9.693 7.913 411 H ASP 132 H ASP 132 180.554 -7.945 9.431 412 HA ASP 132 HA ASP 132 182.410 -8.888 11.547 413 1HB ASP 132 2HB ASP 132 179.544 -7.918 11.455 414 2HB ASP 132 1HB ASP 132 180.318 -8.479 12.937 415 H SER 133 H SER 133 181.121 -10.460 13.123 416 HA SER 133 HA SER 133 180.894 -13.010 11.777 417 1HB SER 133 2HB SER 133 180.108 -13.637 14.173 418 2HB SER 133 1HB SER 133 181.740 -13.008 13.974 419 HG SER 133 HG SER 133 179.507 -11.880 15.162 420 H ASN 134 H ASN 134 178.597 -10.537 11.931 421 HA ASN 134 HA ASN 134 176.291 -12.447 11.960 422 1HB ASN 134 2HB ASN 134 176.595 -10.310 13.481 423 2HB ASN 134 1HB ASN 134 176.115 -9.444 12.021 424 1HD2 ASN 134 1HD2 ASN 134 174.509 -9.652 14.486 425 2HD2 ASN 134 2HD2 ASN 134 173.071 -10.448 14.063 426 H GLY 135 H GLY 135 178.286 -10.638 9.849 427 1HA GLY 135 2HA GLY 135 178.144 -10.650 7.475 428 2HA GLY 135 1HA GLY 135 176.495 -11.262 7.599 429 H GLU 136 H GLU 136 177.503 -8.483 9.458 430 HA GLU 136 HA GLU 136 175.694 -6.782 7.781 431 1HB GLU 136 2HB GLU 136 176.502 -6.769 10.700 432 2HB GLU 136 1HB GLU 136 175.564 -5.471 9.961 433 1HG GLU 136 2HG GLU 136 173.834 -7.099 9.288 434 2HG GLU 136 1HG GLU 136 174.767 -8.397 10.030 435 H ILE 137 H ILE 137 176.439 -4.892 6.958 436 HA ILE 137 HA ILE 137 179.223 -4.017 7.659 437 HB ILE 137 HB ILE 137 177.863 -4.187 4.948 438 1HG1 ILE 137 2HG1 ILE 137 180.032 -5.679 4.651 439 2HG1 ILE 137 1HG1 ILE 137 179.916 -5.820 6.404 440 1HG2 ILE 137 1HG2 ILE 137 180.277 -3.594 4.201 441 2HG2 ILE 137 2HG2 ILE 137 180.488 -3.001 5.848 442 3HG2 ILE 137 3HG2 ILE 137 179.260 -2.285 4.804 443 1HD1 ILE 137 1HD1 ILE 137 178.161 -7.234 6.265 444 2HD1 ILE 137 2HD1 ILE 137 178.528 -7.359 4.546 445 3HD1 ILE 137 3HD1 ILE 137 177.325 -6.198 5.106 446 H ASP 138 H ASP 138 179.466 -1.803 7.869 447 HA ASP 138 HA ASP 138 177.128 -0.189 8.361 448 1HB ASP 138 2HB ASP 138 179.478 -0.028 9.355 449 2HB ASP 138 1HB ASP 138 179.961 0.763 7.855 450 H TYR 139 H TYR 139 175.839 0.522 6.705 451 HA TYR 139 HA TYR 139 176.565 0.638 3.949 452 1HB TYR 139 2HB TYR 139 174.354 1.535 3.685 453 2HB TYR 139 1HB TYR 139 174.280 0.425 5.048 454 HD1 TYR 139 HD1 TYR 139 174.035 3.898 3.961 455 HD2 TYR 139 HD2 TYR 139 174.188 1.319 7.393 456 HE1 TYR 139 HE1 TYR 139 173.214 5.750 5.390 457 HE2 TYR 139 HE2 TYR 139 173.373 3.173 8.818 458 HH TYR 139 HH TYR 139 173.419 5.738 8.704 459 H LYS 140 H LYS 140 176.559 3.170 6.448 460 HA LYS 140 HA LYS 140 176.936 5.360 4.639 461 1HB LYS 140 2HB LYS 140 176.973 4.817 7.538 462 2HB LYS 140 1HB LYS 140 177.970 6.188 7.055 463 1HG LYS 140 2HG LYS 140 175.430 6.261 5.653 464 2HG LYS 140 1HG LYS 140 175.164 6.157 7.392 465 1HD LYS 140 2HD LYS 140 177.022 8.018 7.502 466 2HD LYS 140 1HD LYS 140 176.570 8.292 5.818 467 1HE LYS 140 2HE LYS 140 174.119 8.336 6.710 468 2HE LYS 140 1HE LYS 140 174.873 8.606 8.294 469 1HZ LYS 140 1HZ LYS 140 175.277 10.205 5.824 470 2HZ LYS 140 2HZ LYS 140 176.221 10.378 7.225 471 3HZ LYS 140 3HZ LYS 140 174.559 10.726 7.269 472 H LYS 141 H LYS 141 179.177 3.288 6.435 473 HA LYS 141 HA LYS 141 181.575 4.788 5.874 474 1HB LYS 141 2HB LYS 141 181.039 1.906 6.632 475 2HB LYS 141 1HB LYS 141 182.646 2.633 6.619 476 1HG LYS 141 2HG LYS 141 181.861 4.354 8.228 477 2HG LYS 141 1HG LYS 141 180.284 3.566 8.277 478 1HD LYS 141 2HD LYS 141 181.401 1.469 9.051 479 2HD LYS 141 1HD LYS 141 182.932 2.344 9.109 480 1HE LYS 141 2HE LYS 141 180.456 3.202 10.647 481 2HE LYS 141 1HE LYS 141 181.775 2.243 11.345 482 1HZ LYS 141 1HZ LYS 141 182.290 4.513 11.742 483 2HZ LYS 141 2HZ LYS 141 181.956 4.947 10.134 484 3HZ LYS 141 3HZ LYS 141 183.317 3.995 10.496 485 H PHE 142 H PHE 142 180.166 1.877 4.317 486 HA PHE 142 HA PHE 142 182.312 1.610 2.429 487 1HB PHE 142 2HB PHE 142 180.732 -0.186 3.201 488 2HB PHE 142 1HB PHE 142 179.454 0.591 2.266 489 HD1 PHE 142 HD1 PHE 142 178.993 -0.624 0.328 490 HD2 PHE 142 HD2 PHE 142 183.076 -0.142 1.580 491 HE1 PHE 142 HE1 PHE 142 179.762 -1.829 -1.704 492 HE2 PHE 142 HE2 PHE 142 183.841 -1.344 -0.449 493 HZ PHE 142 HZ PHE 142 182.185 -2.188 -2.090 494 H ILE 143 H ILE 143 179.296 3.427 2.409 495 HA ILE 143 HA ILE 143 179.385 4.015 -0.475 496 HB ILE 143 HB ILE 143 177.817 5.099 1.896 497 1HG1 ILE 143 2HG1 ILE 143 176.938 3.222 -0.315 498 2HG1 ILE 143 1HG1 ILE 143 177.507 2.667 1.259 499 1HG2 ILE 143 1HG2 ILE 143 177.522 6.798 0.353 500 2HG2 ILE 143 2HG2 ILE 143 176.247 5.695 -0.161 501 3HG2 ILE 143 3HG2 ILE 143 177.782 5.732 -1.028 502 1HD1 ILE 143 1HD1 ILE 143 175.718 4.334 2.199 503 2HD1 ILE 143 2HD1 ILE 143 175.193 2.765 1.589 504 3HD1 ILE 143 3HD1 ILE 143 175.014 4.206 0.588 505 H GLU 144 H GLU 144 180.031 5.839 2.543 506 HA GLU 144 HA GLU 144 180.867 8.278 1.302 507 1HB GLU 144 2HB GLU 144 181.585 6.886 3.899 508 2HB GLU 144 1HB GLU 144 182.076 8.540 3.526 509 1HG GLU 144 2HG GLU 144 179.194 7.610 3.458 510 2HG GLU 144 1HG GLU 144 179.938 8.357 4.873 511 H ASP 145 H ASP 145 182.533 5.207 1.757 512 HA ASP 145 HA ASP 145 185.132 6.390 1.005 513 1HB ASP 145 2HB ASP 145 184.829 4.573 2.753 514 2HB ASP 145 1HB ASP 145 184.352 3.486 1.448 515 H VAL 146 H VAL 146 182.415 5.127 -0.638 516 HA VAL 146 HA VAL 146 184.025 4.333 -3.017 517 HB VAL 146 HB VAL 146 181.093 4.163 -2.225 518 1HG1 VAL 146 1HG1 VAL 146 180.712 2.967 -4.348 519 2HG1 VAL 146 2HG1 VAL 146 182.387 3.257 -4.821 520 3HG1 VAL 146 3HG1 VAL 146 181.268 4.611 -4.662 521 1HG2 VAL 146 1HG2 VAL 146 182.923 1.901 -2.997 522 2HG2 VAL 146 2HG2 VAL 146 181.473 1.857 -1.994 523 3HG2 VAL 146 3HG2 VAL 146 182.961 2.561 -1.362 524 H LEU 147 H LEU 147 181.645 6.658 -1.852 525 HA LEU 147 HA LEU 147 181.168 8.225 -4.197 526 1HB LEU 147 2HB LEU 147 181.306 8.838 -1.237 527 2HB LEU 147 1HB LEU 147 180.768 10.020 -2.429 528 HG LEU 147 HG LEU 147 179.544 7.265 -2.157 529 1HD1 LEU 147 1HD1 LEU 147 177.617 8.698 -1.153 530 2HD1 LEU 147 2HD1 LEU 147 178.877 9.890 -0.833 531 3HD1 LEU 147 3HD1 LEU 147 178.978 8.284 -0.111 532 1HD2 LEU 147 1HD2 LEU 147 177.658 8.820 -3.275 533 2HD2 LEU 147 2HD2 LEU 147 178.879 7.991 -4.241 534 3HD2 LEU 147 3HD2 LEU 147 179.087 9.694 -3.828 535 H ARG 148 H ARG 148 184.036 8.000 -2.230 536 HA ARG 148 HA ARG 148 185.244 10.524 -2.700 537 1HB ARG 148 2HB ARG 148 186.343 7.717 -2.400 538 2HB ARG 148 1HB ARG 148 187.368 9.152 -2.404 539 1HG ARG 148 2HG ARG 148 186.003 10.066 -0.511 540 2HG ARG 148 1HG ARG 148 185.128 8.535 -0.458 541 1HD ARG 148 2HD ARG 148 186.898 8.411 1.197 542 2HD ARG 148 1HD ARG 148 187.393 7.389 -0.167 543 HE ARG 148 HE ARG 148 188.242 10.227 -0.245 544 1HH1 ARG 148 2HH1 ARG 148 189.292 7.770 1.652 545 2HH1 ARG 148 1HH1 ARG 148 190.851 7.583 0.920 546 1HH2 ARG 148 1HH2 ARG 148 190.117 9.621 -1.788 547 2HH2 ARG 148 2HH2 ARG 148 191.318 8.631 -1.027 548 H GLN 149 HN GLN 149 186.625 11.264 -4.391 549 HA GLN 149 HA GLN 149 187.174 9.556 -6.728 550 1HB GLN 149 2HB GLN 149 185.902 11.061 -8.252 551 2HB GLN 149 1HB GLN 149 184.849 10.275 -7.076 552 1HG GLN 149 2HG GLN 149 185.070 12.343 -5.633 553 2HG GLN 149 1HG GLN 149 185.895 13.118 -6.987 554 1HE2 GLN 149 1HE2 GLN 149 184.271 14.612 -7.634 555 2HE2 GLN 149 2HE2 GLN 149 182.724 14.145 -8.149 Start of MODEL 8 1 1H LYS 80 H LYS 80 176.473 16.820 -11.464 2 HA LYS 80 HA LYS 80 177.432 16.137 -9.041 3 1HB LYS 80 2HB LYS 80 177.404 18.414 -10.068 4 2HB LYS 80 1HB LYS 80 175.733 18.604 -9.533 5 1HG LYS 80 2HG LYS 80 176.443 18.306 -7.190 6 2HG LYS 80 1HG LYS 80 178.116 18.120 -7.721 7 1HD LYS 80 2HD LYS 80 178.066 20.389 -8.688 8 2HD LYS 80 1HD LYS 80 176.395 20.579 -8.156 9 1HE LYS 80 2HE LYS 80 177.283 20.053 -5.780 10 2HE LYS 80 1HE LYS 80 178.889 20.386 -6.459 11 1HZ LYS 80 1HZ LYS 80 177.972 22.483 -7.355 12 2HZ LYS 80 2HZ LYS 80 177.968 22.434 -5.657 13 3HZ LYS 80 3HZ LYS 80 176.526 22.186 -6.521 14 H ALA 81 H ALA 81 176.431 14.625 -7.773 15 HA ALA 81 HA ALA 81 173.615 15.097 -6.828 16 1HB ALA 81 1HB ALA 81 175.341 12.774 -7.508 17 2HB ALA 81 2HB ALA 81 173.605 12.990 -7.733 18 3HB ALA 81 3HB ALA 81 174.241 12.562 -6.145 19 H LYS 82 H LYS 82 173.228 14.659 -4.512 20 HA LYS 82 HA LYS 82 175.643 15.235 -2.822 21 1HB LYS 82 2HB LYS 82 173.707 16.866 -2.986 22 2HB LYS 82 1HB LYS 82 172.701 15.636 -2.219 23 1HG LYS 82 2HG LYS 82 174.062 15.648 -0.234 24 2HG LYS 82 1HG LYS 82 175.282 16.661 -1.009 25 1HD LYS 82 2HD LYS 82 173.495 18.437 -1.274 26 2HD LYS 82 1HD LYS 82 172.459 17.445 -0.247 27 1HE LYS 82 2HE LYS 82 173.942 17.657 1.624 28 2HE LYS 82 1HE LYS 82 175.229 18.339 0.608 29 1HZ LYS 82 1HZ LYS 82 172.554 19.558 1.057 30 2HZ LYS 82 2HZ LYS 82 173.786 20.201 0.078 31 3HZ LYS 82 3HZ LYS 82 174.004 20.090 1.760 32 H THR 83 H THR 83 175.748 14.242 -0.783 33 HA THR 83 HA THR 83 175.567 11.437 -0.652 34 HB THR 83 HB THR 83 175.222 13.338 1.684 35 HG1 THR 83 HG1 THR 83 177.075 14.097 1.113 36 1HG2 THR 83 1HG2 THR 83 175.068 11.090 2.433 37 2HG2 THR 83 2HG2 THR 83 176.742 11.557 2.735 38 3HG2 THR 83 3HG2 THR 83 176.344 10.556 1.338 39 H GLU 84 H GLU 84 173.104 13.827 0.067 40 HA GLU 84 HA GLU 84 171.161 12.507 1.533 41 1HB GLU 84 2HB GLU 84 170.985 14.321 -0.887 42 2HB GLU 84 1HB GLU 84 169.572 13.898 0.089 43 1HG GLU 84 2HG GLU 84 172.099 15.151 1.204 44 2HG GLU 84 1HG GLU 84 170.640 16.054 0.791 45 H ASP 85 H ASP 85 171.917 11.931 -1.894 46 HA ASP 85 HA ASP 85 169.583 10.401 -2.556 47 1HB ASP 85 2HB ASP 85 170.896 9.708 -4.475 48 2HB ASP 85 1HB ASP 85 171.269 11.392 -4.131 49 H PHE 86 H PHE 86 172.753 9.363 -1.274 50 HA PHE 86 HA PHE 86 171.994 6.557 -1.207 51 1HB PHE 86 2HB PHE 86 174.293 8.290 -0.478 52 2HB PHE 86 1HB PHE 86 174.174 6.771 0.410 53 HD1 PHE 86 HD1 PHE 86 175.760 8.136 -2.286 54 HD2 PHE 86 HD2 PHE 86 173.231 4.791 -1.351 55 HE1 PHE 86 HE1 PHE 86 176.650 6.909 -4.252 56 HE2 PHE 86 HE2 PHE 86 174.124 3.568 -3.313 57 HZ PHE 86 HZ PHE 86 175.833 4.625 -4.764 58 H VAL 87 H VAL 87 172.221 9.173 1.214 59 HA VAL 87 HA VAL 87 171.825 7.708 3.569 60 HB VAL 87 HB VAL 87 170.812 10.460 2.786 61 1HG1 VAL 87 1HG1 VAL 87 171.312 9.212 5.507 62 2HG1 VAL 87 2HG1 VAL 87 169.755 9.730 4.862 63 3HG1 VAL 87 3HG1 VAL 87 170.996 10.926 5.237 64 1HG2 VAL 87 1HG2 VAL 87 172.940 11.230 3.099 65 2HG2 VAL 87 2HG2 VAL 87 173.397 9.560 2.769 66 3HG2 VAL 87 3HG2 VAL 87 173.251 10.120 4.433 67 H LYS 88 H LYS 88 169.267 9.419 1.713 68 HA LYS 88 HA LYS 88 167.030 8.432 3.163 69 1HB LYS 88 2HB LYS 88 167.097 10.353 1.569 70 2HB LYS 88 1HB LYS 88 167.235 9.206 0.235 71 1HG LYS 88 2HG LYS 88 165.077 8.195 0.876 72 2HG LYS 88 1HG LYS 88 164.935 9.343 2.208 73 1HD LYS 88 2HD LYS 88 164.962 11.216 0.601 74 2HD LYS 88 1HD LYS 88 165.100 10.071 -0.733 75 1HE LYS 88 2HE LYS 88 162.895 9.392 -0.557 76 2HE LYS 88 1HE LYS 88 162.840 9.681 1.193 77 1HZ LYS 88 1HZ LYS 88 161.630 11.378 -0.145 78 2HZ LYS 88 2HZ LYS 88 163.116 11.837 -0.830 79 3HZ LYS 88 3HZ LYS 88 162.853 12.023 0.838 80 H ALA 89 H ALA 89 168.786 7.060 0.423 81 HA ALA 89 HA ALA 89 166.943 5.024 -0.352 82 1HB ALA 89 1HB ALA 89 168.658 5.236 -1.851 83 2HB ALA 89 2HB ALA 89 169.379 3.953 -0.876 84 3HB ALA 89 3HB ALA 89 169.835 5.635 -0.599 85 H PHE 90 H PHE 90 169.781 4.683 1.848 86 HA PHE 90 HA PHE 90 168.990 1.987 2.590 87 1HB PHE 90 2HB PHE 90 171.101 3.985 3.314 88 2HB PHE 90 1HB PHE 90 170.875 2.586 4.366 89 HD1 PHE 90 HD1 PHE 90 171.793 3.698 0.959 90 HD2 PHE 90 HD2 PHE 90 171.357 0.338 3.601 91 HE1 PHE 90 HE1 PHE 90 173.028 2.274 -0.648 92 HE2 PHE 90 HE2 PHE 90 172.594 -1.084 1.994 93 HZ PHE 90 HZ PHE 90 173.426 -0.117 -0.134 94 H GLN 91 H GLN 91 169.182 5.032 4.472 95 HA GLN 91 HA GLN 91 168.209 4.197 6.920 96 1HB GLN 91 2HB GLN 91 167.944 6.722 5.318 97 2HB GLN 91 1HB GLN 91 167.178 6.616 6.904 98 1HG GLN 91 2HG GLN 91 170.061 5.821 6.537 99 2HG GLN 91 1HG GLN 91 169.616 7.512 6.780 100 1HE2 GLN 91 1HE2 GLN 91 170.681 4.930 8.513 101 2HE2 GLN 91 2HE2 GLN 91 169.927 5.236 10.003 102 H VAL 92 H VAL 92 166.114 5.027 4.100 103 HA VAL 92 HA VAL 92 163.654 4.906 5.507 104 HB VAL 92 HB VAL 92 164.401 4.271 2.629 105 1HG1 VAL 92 1HG1 VAL 92 161.651 4.802 3.804 106 2HG1 VAL 92 2HG1 VAL 92 162.213 3.248 3.186 107 3HG1 VAL 92 3HG1 VAL 92 162.019 4.616 2.089 108 1HG2 VAL 92 1HG2 VAL 92 162.930 6.715 3.534 109 2HG2 VAL 92 2HG2 VAL 92 164.068 6.523 2.201 110 3HG2 VAL 92 3HG2 VAL 92 164.661 6.618 3.859 111 H PHE 93 H PHE 93 165.603 2.328 4.025 112 HA PHE 93 HA PHE 93 163.712 0.171 4.443 113 1HB PHE 93 2HB PHE 93 165.694 0.180 2.894 114 2HB PHE 93 1HB PHE 93 166.749 0.129 4.303 115 HD1 PHE 93 HD1 PHE 93 164.883 -1.801 1.973 116 HD2 PHE 93 HD2 PHE 93 166.349 -1.806 6.004 117 HE1 PHE 93 HE1 PHE 93 164.625 -4.268 2.059 118 HE2 PHE 93 HE2 PHE 93 166.095 -4.272 6.096 119 HZ PHE 93 HZ PHE 93 165.233 -5.503 4.123 120 H ASP 94 H ASP 94 166.501 1.410 6.342 121 HA ASP 94 HA ASP 94 166.372 -0.474 8.492 122 1HB ASP 94 2HB ASP 94 167.287 2.407 8.272 123 2HB ASP 94 1HB ASP 94 167.575 1.411 9.700 124 H LYS 95 H LYS 95 164.013 -0.662 8.821 125 HA LYS 95 HA LYS 95 162.362 1.491 9.735 126 1HB LYS 95 2HB LYS 95 160.892 -0.364 10.478 127 2HB LYS 95 1HB LYS 95 161.537 -0.659 8.865 128 1HG LYS 95 2HG LYS 95 163.452 -1.906 10.209 129 2HG LYS 95 1HG LYS 95 162.208 -2.013 11.452 130 1HD LYS 95 2HD LYS 95 161.879 -3.976 10.198 131 2HD LYS 95 1HD LYS 95 160.680 -2.868 9.531 132 1HE LYS 95 2HE LYS 95 161.892 -2.531 7.556 133 2HE LYS 95 1HE LYS 95 163.433 -2.985 8.311 134 1HZ LYS 95 1HZ LYS 95 162.595 -4.794 6.944 135 2HZ LYS 95 2HZ LYS 95 161.136 -4.806 7.815 136 3HZ LYS 95 3HZ LYS 95 162.588 -5.241 8.580 137 H GLU 96 H GLU 96 164.400 -0.847 11.558 138 HA GLU 96 HA GLU 96 163.643 0.457 14.112 139 1HB GLU 96 2HB GLU 96 165.201 -1.987 13.257 140 2HB GLU 96 1HB GLU 96 165.216 -1.432 14.932 141 1HG GLU 96 2HG GLU 96 162.670 -1.973 13.385 142 2HG GLU 96 1HG GLU 96 163.451 -3.173 14.414 143 H SER 97 H SER 97 165.502 1.599 11.839 144 HA SER 97 HA SER 97 167.559 2.668 11.632 145 1HB SER 97 2HB SER 97 166.332 3.431 14.276 146 2HB SER 97 1HB SER 97 167.755 4.261 13.654 147 HG SER 97 HG SER 97 165.798 5.269 13.007 148 H THR 98 H THR 98 168.613 0.289 12.015 149 HA THR 98 HA THR 98 170.206 0.204 14.523 150 HB THR 98 HB THR 98 170.937 -1.986 13.499 151 HG1 THR 98 HG1 THR 98 169.781 -2.597 11.607 152 1HG2 THR 98 1HG2 THR 98 168.090 -1.239 14.000 153 2HG2 THR 98 2HG2 THR 98 169.131 -2.353 14.887 154 3HG2 THR 98 3HG2 THR 98 168.420 -2.844 13.348 155 H GLY 99 H GLY 99 170.590 0.722 11.050 156 1HA GLY 99 2HA GLY 99 172.268 2.097 10.047 157 2HA GLY 99 1HA GLY 99 173.183 2.043 11.550 158 H LYS 100 H LYS 100 172.130 -1.075 10.543 159 HA LYS 100 HA LYS 100 174.773 -1.558 9.222 160 1HB LYS 100 2HB LYS 100 173.324 -3.093 11.396 161 2HB LYS 100 1HB LYS 100 174.671 -3.779 10.489 162 1HG LYS 100 2HG LYS 100 176.038 -2.802 11.998 163 2HG LYS 100 1HG LYS 100 175.606 -1.261 11.261 164 1HD LYS 100 2HD LYS 100 175.044 -0.871 13.488 165 2HD LYS 100 1HD LYS 100 173.503 -1.432 12.840 166 1HE LYS 100 2HE LYS 100 173.821 -3.638 13.736 167 2HE LYS 100 1HE LYS 100 175.519 -3.297 14.131 168 1HZ LYS 100 1HZ LYS 100 173.961 -3.039 16.044 169 2HZ LYS 100 2HZ LYS 100 173.230 -1.747 15.217 170 3HZ LYS 100 3HZ LYS 100 174.860 -1.645 15.689 171 H VAL 101 H VAL 101 174.720 -3.218 7.566 172 HA VAL 101 HA VAL 101 172.121 -4.525 6.988 173 HB VAL 101 HB VAL 101 172.156 -3.606 4.665 174 1HG1 VAL 101 1HG1 VAL 101 172.306 -1.339 6.659 175 2HG1 VAL 101 2HG1 VAL 101 170.964 -2.484 6.638 176 3HG1 VAL 101 3HG1 VAL 101 171.278 -1.467 5.232 177 1HG2 VAL 101 1HG2 VAL 101 174.519 -2.051 5.759 178 2HG2 VAL 101 2HG2 VAL 101 173.668 -1.616 4.277 179 3HG2 VAL 101 3HG2 VAL 101 174.514 -3.159 4.387 180 H SER 102 H SER 102 172.368 -6.132 5.190 181 HA SER 102 HA SER 102 174.952 -7.561 5.346 182 1HB SER 102 2HB SER 102 173.554 -9.128 3.846 183 2HB SER 102 1HB SER 102 172.986 -8.879 5.494 184 HG SER 102 HG SER 102 171.216 -8.214 4.588 185 H VAL 103 H VAL 103 176.344 -7.849 3.495 186 HA VAL 103 HA VAL 103 176.420 -5.731 1.560 187 HB VAL 103 HB VAL 103 178.145 -7.144 0.481 188 1HG1 VAL 103 1HG1 VAL 103 179.180 -6.001 2.170 189 2HG1 VAL 103 2HG1 VAL 103 179.368 -7.625 2.830 190 3HG1 VAL 103 3HG1 VAL 103 178.058 -6.588 3.397 191 1HG2 VAL 103 1HG2 VAL 103 176.922 -9.323 0.887 192 2HG2 VAL 103 2HG2 VAL 103 177.442 -9.224 2.570 193 3HG2 VAL 103 3HG2 VAL 103 178.641 -9.355 1.281 194 H GLY 104 H GLY 104 174.909 -8.970 1.444 195 1HA GLY 104 2HA GLY 104 174.397 -9.027 -1.355 196 2HA GLY 104 1HA GLY 104 173.460 -9.890 -0.135 197 H ASP 105 H ASP 105 172.531 -7.684 1.358 198 HA ASP 105 HA ASP 105 170.336 -6.759 -0.356 199 1HB ASP 105 2HB ASP 105 170.198 -7.491 2.070 200 2HB ASP 105 1HB ASP 105 171.061 -6.012 2.494 201 H LEU 106 H LEU 106 173.141 -5.361 1.291 202 HA LEU 106 HA LEU 106 172.677 -2.604 0.742 203 1HB LEU 106 2HB LEU 106 174.362 -3.532 2.307 204 2HB LEU 106 1HB LEU 106 175.267 -4.182 0.941 205 HG LEU 106 HG LEU 106 174.613 -1.263 0.952 206 1HD1 LEU 106 1HD1 LEU 106 175.547 -1.153 3.049 207 2HD1 LEU 106 2HD1 LEU 106 177.040 -1.201 2.109 208 3HD1 LEU 106 3HD1 LEU 106 176.417 -2.674 2.853 209 1HD2 LEU 106 1HD2 LEU 106 177.096 -1.419 0.047 210 2HD2 LEU 106 2HD2 LEU 106 175.743 -1.862 -0.993 211 3HD2 LEU 106 3HD2 LEU 106 176.680 -3.117 -0.181 212 H ARG 107 H ARG 107 174.578 -5.022 -1.105 213 HA ARG 107 HA ARG 107 175.258 -3.277 -3.277 214 1HB ARG 107 2HB ARG 107 176.201 -5.579 -2.567 215 2HB ARG 107 1HB ARG 107 174.840 -6.269 -3.452 216 1HG ARG 107 2HG ARG 107 175.609 -4.786 -5.421 217 2HG ARG 107 1HG ARG 107 177.116 -4.601 -4.524 218 1HD ARG 107 2HD ARG 107 177.583 -6.483 -5.853 219 2HD ARG 107 1HD ARG 107 176.985 -7.246 -4.365 220 HE ARG 107 HE ARG 107 174.694 -7.219 -5.504 221 1HH1 ARG 107 2HH1 ARG 107 176.992 -9.040 -6.686 222 2HH1 ARG 107 1HH1 ARG 107 176.618 -8.895 -8.370 223 1HH2 ARG 107 1HH2 ARG 107 174.482 -6.198 -7.938 224 2HH2 ARG 107 2HH2 ARG 107 175.197 -7.287 -9.079 225 H TYR 108 H TYR 108 172.375 -5.188 -2.597 226 HA TYR 108 HA TYR 108 171.284 -5.122 -5.264 227 1HB TYR 108 2HB TYR 108 170.621 -6.635 -3.348 228 2HB TYR 108 1HB TYR 108 169.833 -5.247 -2.598 229 HD1 TYR 108 HD1 TYR 108 169.728 -7.646 -5.388 230 HD2 TYR 108 HD2 TYR 108 167.811 -4.265 -3.560 231 HE1 TYR 108 HE1 TYR 108 167.716 -8.033 -6.783 232 HE2 TYR 108 HE2 TYR 108 165.797 -4.653 -4.955 233 HH TYR 108 HH TYR 108 165.796 -6.741 -7.637 234 H MET 109 H MET 109 170.664 -3.026 -2.408 235 HA MET 109 HA MET 109 168.829 -1.310 -3.741 236 1HB MET 109 2HB MET 109 170.543 -1.262 -1.310 237 2HB MET 109 1HB MET 109 169.914 0.293 -1.854 238 1HG MET 109 2HG MET 109 167.770 -1.582 -2.025 239 2HG MET 109 1HG MET 109 168.542 -1.816 -0.459 240 1HE MET 109 1HE MET 109 167.729 0.657 -3.039 241 2HE MET 109 2HE MET 109 168.538 1.969 -2.188 242 3HE MET 109 3HE MET 109 166.780 1.947 -2.289 243 H LEU 110 H LEU 110 172.380 -1.164 -3.401 244 HA LEU 110 HA LEU 110 172.848 1.385 -4.579 245 1HB LEU 110 2HB LEU 110 174.281 -1.130 -4.049 246 2HB LEU 110 1HB LEU 110 174.898 -0.286 -5.469 247 HG LEU 110 HG LEU 110 174.854 1.827 -3.957 248 1HD1 LEU 110 1HD1 LEU 110 174.603 1.582 -1.691 249 2HD1 LEU 110 2HD1 LEU 110 175.306 -0.036 -1.683 250 3HD1 LEU 110 3HD1 LEU 110 173.631 0.197 -2.183 251 1HD2 LEU 110 1HD2 LEU 110 176.780 -0.484 -3.779 252 2HD2 LEU 110 2HD2 LEU 110 177.073 0.993 -2.862 253 3HD2 LEU 110 3HD2 LEU 110 176.975 1.054 -4.622 254 H THR 111 H THR 111 172.475 -1.825 -6.020 255 HA THR 111 HA THR 111 172.794 -1.133 -8.777 256 HB THR 111 HB THR 111 171.018 -3.239 -7.504 257 HG1 THR 111 HG1 THR 111 172.873 -4.516 -7.606 258 1HG2 THR 111 1HG2 THR 111 172.338 -3.043 -10.224 259 2HG2 THR 111 2HG2 THR 111 170.605 -3.006 -9.890 260 3HG2 THR 111 3HG2 THR 111 171.527 -4.483 -9.609 261 H GLY 112 H GLY 112 170.084 -0.849 -6.578 262 1HA GLY 112 2HA GLY 112 168.199 -0.070 -8.706 263 2HA GLY 112 1HA GLY 112 167.826 -0.211 -6.990 264 H LEU 113 H LEU 113 170.516 1.447 -6.669 265 HA LEU 113 HA LEU 113 169.131 4.054 -6.601 266 1HB LEU 113 2HB LEU 113 170.698 2.618 -4.869 267 2HB LEU 113 1HB LEU 113 171.876 3.731 -5.563 268 HG LEU 113 HG LEU 113 169.212 4.565 -4.373 269 1HD1 LEU 113 1HD1 LEU 113 170.495 3.839 -2.532 270 2HD1 LEU 113 2HD1 LEU 113 170.840 5.566 -2.617 271 3HD1 LEU 113 3HD1 LEU 113 172.003 4.403 -3.249 272 1HD2 LEU 113 1HD2 LEU 113 170.335 6.830 -4.444 273 2HD2 LEU 113 2HD2 LEU 113 169.981 6.147 -6.033 274 3HD2 LEU 113 3HD2 LEU 113 171.625 6.092 -5.395 275 H GLY 114 H GLY 114 170.906 2.575 -8.986 276 1HA GLY 114 2HA GLY 114 171.689 3.858 -10.911 277 2HA GLY 114 1HA GLY 114 172.124 5.169 -9.814 278 H GLU 115 H GLU 115 172.810 1.822 -9.172 279 HA GLU 115 HA GLU 115 175.758 2.383 -9.445 280 1HB GLU 115 2HB GLU 115 174.570 1.831 -7.167 281 2HB GLU 115 1HB GLU 115 174.597 0.175 -7.775 282 1HG GLU 115 2HG GLU 115 176.611 0.474 -6.501 283 2HG GLU 115 1HG GLU 115 177.076 0.477 -8.203 284 H LYS 116 H LYS 116 176.641 1.304 -11.188 285 HA LYS 116 HA LYS 116 175.480 -1.353 -11.868 286 1HB LYS 116 2HB LYS 116 176.494 0.846 -13.716 287 2HB LYS 116 1HB LYS 116 176.030 -0.763 -14.272 288 1HG LYS 116 2HG LYS 116 173.752 -0.416 -13.384 289 2HG LYS 116 1HG LYS 116 174.214 1.194 -12.832 290 1HD LYS 116 2HD LYS 116 174.714 1.854 -15.156 291 2HD LYS 116 1HD LYS 116 174.253 0.245 -15.712 292 1HE LYS 116 2HE LYS 116 171.963 0.574 -15.038 293 2HE LYS 116 1HE LYS 116 172.374 2.069 -14.173 294 1HZ LYS 116 1HZ LYS 116 171.551 2.666 -16.322 295 2HZ LYS 116 2HZ LYS 116 172.597 1.572 -17.094 296 3HZ LYS 116 3HZ LYS 116 173.225 2.947 -16.316 297 H LEU 117 H LEU 117 177.276 -1.630 -10.145 298 HA LEU 117 HA LEU 117 179.992 -1.856 -11.317 299 1HB LEU 117 2HB LEU 117 178.828 -2.479 -8.575 300 2HB LEU 117 1HB LEU 117 180.543 -2.474 -8.982 301 HG LEU 117 HG LEU 117 178.724 -0.067 -9.261 302 1HD1 LEU 117 1HD1 LEU 117 180.715 -0.826 -7.103 303 2HD1 LEU 117 2HD1 LEU 117 178.976 -0.611 -6.904 304 3HD1 LEU 117 3HD1 LEU 117 179.999 0.777 -7.273 305 1HD2 LEU 117 1HD2 LEU 117 181.717 -0.486 -9.512 306 2HD2 LEU 117 2HD2 LEU 117 180.959 1.104 -9.418 307 3HD2 LEU 117 3HD2 LEU 117 180.606 0.038 -10.778 308 H THR 118 H THR 118 180.971 -3.969 -11.573 309 HA THR 118 HA THR 118 178.996 -6.224 -11.647 310 HB THR 118 HB THR 118 181.618 -6.000 -13.115 311 HG1 THR 118 HG1 THR 118 180.678 -4.393 -14.089 312 1HG2 THR 118 1HG2 THR 118 180.720 -8.214 -13.156 313 2HG2 THR 118 2HG2 THR 118 180.325 -7.494 -14.717 314 3HG2 THR 118 3HG2 THR 118 179.090 -7.614 -13.464 315 H ASP 119 H ASP 119 179.554 -8.169 -10.530 316 HA ASP 119 HA ASP 119 181.008 -8.293 -8.248 317 1HB ASP 119 2HB ASP 119 179.609 -10.065 -9.337 318 2HB ASP 119 1HB ASP 119 180.994 -10.473 -10.351 319 H ALA 120 H ALA 120 182.471 -8.384 -11.465 320 HA ALA 120 HA ALA 120 185.129 -9.263 -10.760 321 1HB ALA 120 1HB ALA 120 185.694 -8.086 -12.878 322 2HB ALA 120 2HB ALA 120 184.097 -7.337 -12.873 323 3HB ALA 120 3HB ALA 120 184.251 -9.085 -13.057 324 H GLU 121 H GLU 121 183.774 -5.970 -11.173 325 HA GLU 121 HA GLU 121 186.108 -4.669 -9.996 326 1HB GLU 121 2HB GLU 121 184.039 -3.978 -11.670 327 2HB GLU 121 1HB GLU 121 183.535 -3.221 -10.159 328 1HG GLU 121 2HG GLU 121 186.325 -2.900 -11.282 329 2HG GLU 121 1HG GLU 121 185.011 -1.792 -11.677 330 H VAL 122 H VAL 122 182.778 -5.381 -8.933 331 HA VAL 122 HA VAL 122 182.865 -4.106 -6.367 332 HB VAL 122 HB VAL 122 181.378 -6.584 -7.309 333 1HG1 VAL 122 1HG1 VAL 122 181.079 -6.538 -4.974 334 2HG1 VAL 122 2HG1 VAL 122 179.695 -5.615 -5.562 335 3HG1 VAL 122 3HG1 VAL 122 181.104 -4.775 -4.912 336 1HG2 VAL 122 1HG2 VAL 122 180.940 -4.685 -8.773 337 2HG2 VAL 122 2HG2 VAL 122 180.681 -3.634 -7.382 338 3HG2 VAL 122 3HG2 VAL 122 179.540 -4.931 -7.731 339 H ASP 123 H ASP 123 183.961 -7.350 -7.384 340 HA ASP 123 HA ASP 123 184.402 -8.381 -4.752 341 1HB ASP 123 2HB ASP 123 184.393 -9.738 -6.828 342 2HB ASP 123 1HB ASP 123 185.860 -8.922 -7.372 343 H GLU 124 H GLU 124 186.418 -6.425 -6.907 344 HA GLU 124 HA GLU 124 188.855 -6.419 -5.405 345 1HB GLU 124 2HB GLU 124 187.519 -4.312 -7.133 346 2HB GLU 124 1HB GLU 124 189.204 -4.254 -6.621 347 1HG GLU 124 2HG GLU 124 187.983 -6.544 -8.185 348 2HG GLU 124 1HG GLU 124 188.903 -5.226 -8.912 349 H LEU 125 H LEU 125 186.010 -4.249 -5.252 350 HA LEU 125 HA LEU 125 186.938 -2.496 -3.201 351 1HB LEU 125 2HB LEU 125 184.328 -3.398 -4.353 352 2HB LEU 125 1HB LEU 125 184.291 -2.446 -2.872 353 HG LEU 125 HG LEU 125 185.601 -0.669 -3.958 354 1HD1 LEU 125 1HD1 LEU 125 186.070 -0.800 -6.385 355 2HD1 LEU 125 2HD1 LEU 125 185.430 -2.443 -6.417 356 3HD1 LEU 125 3HD1 LEU 125 186.899 -2.087 -5.510 357 1HD2 LEU 125 1HD2 LEU 125 183.889 0.016 -5.638 358 2HD2 LEU 125 2HD2 LEU 125 183.165 -0.567 -4.138 359 3HD2 LEU 125 3HD2 LEU 125 183.207 -1.610 -5.560 360 H LEU 126 H LEU 126 184.833 -5.383 -2.965 361 HA LEU 126 HA LEU 126 184.559 -5.471 -0.132 362 1HB LEU 126 2HB LEU 126 184.436 -7.463 -2.382 363 2HB LEU 126 1HB LEU 126 184.217 -7.991 -0.714 364 HG LEU 126 HG LEU 126 182.670 -5.609 -1.657 365 1HD1 LEU 126 1HD1 LEU 126 180.912 -7.072 -2.557 366 2HD1 LEU 126 2HD1 LEU 126 181.928 -8.484 -2.264 367 3HD1 LEU 126 3HD1 LEU 126 182.414 -7.282 -3.459 368 1HD2 LEU 126 1HD2 LEU 126 181.091 -7.445 -0.189 369 2HD2 LEU 126 2HD2 LEU 126 181.813 -5.950 0.409 370 3HD2 LEU 126 3HD2 LEU 126 182.682 -7.474 0.577 371 H LYS 127 H LYS 127 187.270 -6.286 -2.165 372 HA LYS 127 HA LYS 127 188.603 -8.284 -0.723 373 1HB LYS 127 2HB LYS 127 189.176 -7.271 -2.942 374 2HB LYS 127 1HB LYS 127 189.836 -5.878 -2.085 375 1HG LYS 127 2HG LYS 127 191.420 -7.349 -0.898 376 2HG LYS 127 1HG LYS 127 190.765 -8.745 -1.756 377 1HD LYS 127 2HD LYS 127 191.497 -7.861 -3.887 378 2HD LYS 127 1HD LYS 127 191.984 -6.341 -3.138 379 1HE LYS 127 2HE LYS 127 193.957 -7.784 -3.510 380 2HE LYS 127 1HE LYS 127 193.666 -7.595 -1.770 381 1HZ LYS 127 1HZ LYS 127 192.499 -9.800 -3.374 382 2HZ LYS 127 2HZ LYS 127 192.541 -9.656 -1.681 383 3HZ LYS 127 3HZ LYS 127 193.972 -9.951 -2.547 384 H GLY 128 H GLY 128 188.193 -4.878 0.058 385 1HA GLY 128 2HA GLY 128 190.050 -5.194 2.378 386 2HA GLY 128 1HA GLY 128 189.780 -3.658 1.556 387 H VAL 129 H VAL 129 187.077 -5.821 2.125 388 HA VAL 129 HA VAL 129 186.028 -3.854 4.137 389 HB VAL 129 HB VAL 129 184.627 -5.850 2.314 390 1HG1 VAL 129 1HG1 VAL 129 183.455 -3.623 4.007 391 2HG1 VAL 129 2HG1 VAL 129 183.440 -5.325 4.467 392 3HG1 VAL 129 3HG1 VAL 129 182.562 -4.791 3.034 393 1HG2 VAL 129 1HG2 VAL 129 183.902 -3.838 1.075 394 2HG2 VAL 129 2HG2 VAL 129 185.661 -3.962 1.097 395 3HG2 VAL 129 3HG2 VAL 129 184.845 -2.825 2.168 396 H GLU 130 H GLU 130 186.089 -4.487 6.132 397 HA GLU 130 HA GLU 130 186.449 -7.341 6.872 398 1HB GLU 130 2HB GLU 130 187.853 -5.470 7.752 399 2HB GLU 130 1HB GLU 130 186.414 -4.795 8.517 400 1HG GLU 130 2HG GLU 130 186.125 -6.862 9.823 401 2HG GLU 130 1HG GLU 130 187.553 -7.554 9.052 402 H VAL 131 H VAL 131 184.484 -8.378 6.811 403 HA VAL 131 HA VAL 131 182.048 -7.161 8.003 404 HB VAL 131 HB VAL 131 181.003 -9.224 7.177 405 1HG1 VAL 131 1HG1 VAL 131 181.996 -7.260 5.619 406 2HG1 VAL 131 2HG1 VAL 131 181.098 -8.630 4.967 407 3HG1 VAL 131 3HG1 VAL 131 182.860 -8.634 4.932 408 1HG2 VAL 131 1HG2 VAL 131 182.956 -10.594 5.756 409 2HG2 VAL 131 2HG2 VAL 131 182.278 -11.096 7.306 410 3HG2 VAL 131 3HG2 VAL 131 183.783 -10.178 7.259 411 H ASP 132 H ASP 132 180.905 -8.339 9.753 412 HA ASP 132 HA ASP 132 182.841 -9.314 11.778 413 1HB ASP 132 2HB ASP 132 179.956 -8.399 11.793 414 2HB ASP 132 1HB ASP 132 180.778 -8.996 13.236 415 H SER 133 H SER 133 181.442 -10.920 13.343 416 HA SER 133 HA SER 133 181.298 -13.449 11.930 417 1HB SER 133 2HB SER 133 180.406 -14.128 14.280 418 2HB SER 133 1HB SER 133 182.049 -13.509 14.159 419 HG SER 133 HG SER 133 180.189 -12.584 15.681 420 H ASN 134 H ASN 134 179.006 -10.986 11.973 421 HA ASN 134 HA ASN 134 176.690 -12.878 11.925 422 1HB ASN 134 2HB ASN 134 176.822 -10.834 13.476 423 2HB ASN 134 1HB ASN 134 176.693 -9.852 12.016 424 1HD2 ASN 134 1HD2 ASN 134 174.564 -9.131 13.042 425 2HD2 ASN 134 2HD2 ASN 134 173.192 -10.101 12.805 426 H GLY 135 H GLY 135 178.794 -11.095 9.875 427 1HA GLY 135 2HA GLY 135 178.768 -11.080 7.505 428 2HA GLY 135 1HA GLY 135 177.154 -11.787 7.545 429 H GLU 136 H GLU 136 177.816 -8.950 9.459 430 HA GLU 136 HA GLU 136 176.073 -7.358 7.606 431 1HB GLU 136 2HB GLU 136 176.589 -7.301 10.593 432 2HB GLU 136 1HB GLU 136 175.651 -6.062 9.757 433 1HG GLU 136 2HG GLU 136 174.098 -7.794 8.929 434 2HG GLU 136 1HG GLU 136 175.032 -9.032 9.766 435 H ILE 137 H ILE 137 176.752 -5.371 6.911 436 HA ILE 137 HA ILE 137 179.446 -4.410 7.820 437 HB ILE 137 HB ILE 137 178.249 -4.660 5.043 438 1HG1 ILE 137 2HG1 ILE 137 180.564 -5.828 4.770 439 2HG1 ILE 137 1HG1 ILE 137 180.570 -5.881 6.531 440 1HG2 ILE 137 1HG2 ILE 137 179.367 -2.489 5.155 441 2HG2 ILE 137 2HG2 ILE 137 180.370 -3.610 4.236 442 3HG2 ILE 137 3HG2 ILE 137 180.781 -3.227 5.907 443 1HD1 ILE 137 1HD1 ILE 137 179.126 -7.609 6.553 444 2HD1 ILE 137 2HD1 ILE 137 179.328 -7.713 4.807 445 3HD1 ILE 137 3HD1 ILE 137 178.006 -6.763 5.484 446 H ASP 138 H ASP 138 179.655 -2.166 7.975 447 HA ASP 138 HA ASP 138 177.276 -0.645 8.559 448 1HB ASP 138 2HB ASP 138 179.598 -0.393 9.534 449 2HB ASP 138 1HB ASP 138 180.086 0.360 8.015 450 H TYR 139 H TYR 139 175.920 0.128 6.994 451 HA TYR 139 HA TYR 139 176.607 0.333 4.213 452 1HB TYR 139 2HB TYR 139 174.346 0.888 3.960 453 2HB TYR 139 1HB TYR 139 174.359 -0.046 5.447 454 HD1 TYR 139 HD1 TYR 139 173.433 3.040 3.910 455 HD2 TYR 139 HD2 TYR 139 174.490 1.291 7.688 456 HE1 TYR 139 HE1 TYR 139 172.358 4.937 5.089 457 HE2 TYR 139 HE2 TYR 139 173.420 3.190 8.865 458 HH TYR 139 HH TYR 139 172.582 6.056 7.351 459 H LYS 140 H LYS 140 176.533 2.767 6.808 460 HA LYS 140 HA LYS 140 176.721 5.066 5.093 461 1HB LYS 140 2HB LYS 140 176.975 4.378 7.962 462 2HB LYS 140 1HB LYS 140 177.817 5.848 7.471 463 1HG LYS 140 2HG LYS 140 175.406 6.133 6.179 464 2HG LYS 140 1HG LYS 140 174.927 5.312 7.663 465 1HD LYS 140 2HD LYS 140 176.332 7.042 8.913 466 2HD LYS 140 1HD LYS 140 176.396 7.937 7.395 467 1HE LYS 140 2HE LYS 140 173.974 8.134 7.333 468 2HE LYS 140 1HE LYS 140 173.816 7.078 8.751 469 1HZ LYS 140 1HZ LYS 140 173.764 9.367 9.460 470 2HZ LYS 140 2HZ LYS 140 175.221 9.695 8.649 471 3HZ LYS 140 3HZ LYS 140 175.208 8.655 9.993 472 H LYS 141 H LYS 141 179.116 2.876 6.445 473 HA LYS 141 HA LYS 141 181.404 4.612 5.934 474 1HB LYS 141 2HB LYS 141 181.035 1.704 6.683 475 2HB LYS 141 1HB LYS 141 182.617 2.477 6.565 476 1HG LYS 141 2HG LYS 141 181.795 4.217 8.196 477 2HG LYS 141 1HG LYS 141 180.347 3.239 8.419 478 1HD LYS 141 2HD LYS 141 181.637 1.381 9.255 479 2HD LYS 141 1HD LYS 141 183.153 2.181 8.834 480 1HE LYS 141 2HE LYS 141 181.344 3.732 10.612 481 2HE LYS 141 1HE LYS 141 182.098 2.293 11.329 482 1HZ LYS 141 1HZ LYS 141 183.581 4.321 9.748 483 2HZ LYS 141 2HZ LYS 141 184.238 3.027 10.630 484 3HZ LYS 141 3HZ LYS 141 183.506 4.327 11.442 485 H PHE 142 H PHE 142 180.077 1.690 4.342 486 HA PHE 142 HA PHE 142 182.195 1.526 2.413 487 1HB PHE 142 2HB PHE 142 180.609 -0.291 3.204 488 2HB PHE 142 1HB PHE 142 179.365 0.454 2.202 489 HD1 PHE 142 HD1 PHE 142 179.004 -0.787 0.264 490 HD2 PHE 142 HD2 PHE 142 183.020 -0.248 1.691 491 HE1 PHE 142 HE1 PHE 142 179.873 -2.026 -1.707 492 HE2 PHE 142 HE2 PHE 142 183.887 -1.482 -0.277 493 HZ PHE 142 HZ PHE 142 182.313 -2.373 -1.973 494 H ILE 143 H ILE 143 179.094 3.258 2.393 495 HA ILE 143 HA ILE 143 179.300 3.849 -0.489 496 HB ILE 143 HB ILE 143 177.196 5.005 -0.130 497 1HG1 ILE 143 2HG1 ILE 143 177.773 4.681 2.839 498 2HG1 ILE 143 1HG1 ILE 143 177.735 6.197 1.948 499 1HG2 ILE 143 1HG2 ILE 143 177.135 2.540 -0.184 500 2HG2 ILE 143 2HG2 ILE 143 175.866 3.183 0.859 501 3HG2 ILE 143 3HG2 ILE 143 177.328 2.496 1.568 502 1HD1 ILE 143 1HD1 ILE 143 175.523 4.692 3.087 503 2HD1 ILE 143 2HD1 ILE 143 175.272 4.994 1.368 504 3HD1 ILE 143 3HD1 ILE 143 175.549 6.343 2.469 505 H GLU 144 H GLU 144 179.682 5.698 2.563 506 HA GLU 144 HA GLU 144 180.313 8.208 1.297 507 1HB GLU 144 2HB GLU 144 180.899 6.974 4.001 508 2HB GLU 144 1HB GLU 144 181.258 8.658 3.615 509 1HG GLU 144 2HG GLU 144 178.882 9.044 3.065 510 2HG GLU 144 1HG GLU 144 178.519 7.363 3.457 511 H ASP 145 H ASP 145 182.248 5.354 2.022 512 HA ASP 145 HA ASP 145 184.764 6.812 1.541 513 1HB ASP 145 2HB ASP 145 184.449 4.930 3.235 514 2HB ASP 145 1HB ASP 145 184.287 3.829 1.866 515 H VAL 146 H VAL 146 182.409 5.238 -0.386 516 HA VAL 146 HA VAL 146 184.349 4.708 -2.583 517 HB VAL 146 HB VAL 146 181.384 4.179 -2.148 518 1HG1 VAL 146 1HG1 VAL 146 183.126 3.850 -4.580 519 2HG1 VAL 146 2HG1 VAL 146 181.457 4.412 -4.477 520 3HG1 VAL 146 3HG1 VAL 146 181.824 2.699 -4.279 521 1HG2 VAL 146 1HG2 VAL 146 183.643 2.207 -2.543 522 2HG2 VAL 146 2HG2 VAL 146 182.026 1.896 -1.910 523 3HG2 VAL 146 3HG2 VAL 146 183.189 2.808 -0.948 524 H LEU 147 H LEU 147 181.603 6.716 -1.662 525 HA LEU 147 HA LEU 147 181.212 8.232 -4.077 526 1HB LEU 147 2HB LEU 147 180.092 8.048 -1.585 527 2HB LEU 147 1HB LEU 147 180.923 9.597 -1.469 528 HG LEU 147 HG LEU 147 179.818 9.920 -3.892 529 1HD1 LEU 147 1HD1 LEU 147 177.661 8.895 -4.064 530 2HD1 LEU 147 2HD1 LEU 147 177.753 8.272 -2.416 531 3HD1 LEU 147 3HD1 LEU 147 178.788 7.596 -3.674 532 1HD2 LEU 147 1HD2 LEU 147 178.336 11.393 -2.848 533 2HD2 LEU 147 2HD2 LEU 147 179.540 11.157 -1.580 534 3HD2 LEU 147 3HD2 LEU 147 178.011 10.282 -1.518 535 H ARG 148 H ARG 148 183.628 8.477 -1.564 536 HA ARG 148 HA ARG 148 184.579 11.099 -1.826 537 1HB ARG 148 2HB ARG 148 185.842 8.420 -1.313 538 2HB ARG 148 1HB ARG 148 186.849 9.867 -1.372 539 1HG ARG 148 2HG ARG 148 185.668 10.886 0.431 540 2HG ARG 148 1HG ARG 148 184.364 9.703 0.341 541 1HD ARG 148 2HD ARG 148 185.656 8.952 2.183 542 2HD ARG 148 1HD ARG 148 186.253 7.952 0.843 543 HE ARG 148 HE ARG 148 187.885 10.112 0.639 544 1HH1 ARG 148 1HH2 ARG 148 187.088 10.594 3.572 545 2HH1 ARG 148 2HH2 ARG 148 188.413 9.836 4.391 546 1HH2 ARG 148 2HH1 ARG 148 189.505 8.112 1.588 547 2HH2 ARG 148 1HH1 ARG 148 189.781 8.430 3.267 548 H GLN 149 HN GLN 149 185.640 12.213 -3.451 549 HA GLN 149 HA GLN 149 187.210 10.828 -5.512 550 1HB GLN 149 2HB GLN 149 185.742 11.632 -7.356 551 2HB GLN 149 1HB GLN 149 184.894 10.519 -6.285 552 1HG GLN 149 2HG GLN 149 183.885 12.429 -5.090 553 2HG GLN 149 1HG GLN 149 184.733 13.546 -6.160 554 1HE2 GLN 149 1HE2 GLN 149 183.665 14.103 -8.077 555 2HE2 GLN 149 2HE2 GLN 149 182.317 13.282 -8.703 Start of MODEL 9 1 1H LYS 80 H LYS 80 176.530 15.704 -10.827 2 HA LYS 80 HA LYS 80 177.243 15.288 -8.602 3 1HB LYS 80 2HB LYS 80 177.334 17.435 -7.342 4 2HB LYS 80 1HB LYS 80 177.822 17.641 -9.023 5 1HG LYS 80 2HG LYS 80 175.366 18.268 -9.481 6 2HG LYS 80 1HG LYS 80 175.203 18.418 -7.731 7 1HD LYS 80 2HD LYS 80 177.313 19.865 -9.354 8 2HD LYS 80 1HD LYS 80 175.770 20.582 -8.889 9 1HE LYS 80 2HE LYS 80 177.304 19.318 -6.678 10 2HE LYS 80 1HE LYS 80 177.999 20.803 -7.357 11 1HZ LYS 80 1HZ LYS 80 175.882 21.898 -7.123 12 2HZ LYS 80 2HZ LYS 80 176.343 21.264 -5.616 13 3HZ LYS 80 3HZ LYS 80 175.159 20.478 -6.545 14 H ALA 81 H ALA 81 176.350 14.201 -6.947 15 HA ALA 81 HA ALA 81 173.474 14.688 -6.203 16 1HB ALA 81 1HB ALA 81 175.164 12.200 -5.881 17 2HB ALA 81 2HB ALA 81 174.221 12.536 -7.334 18 3HB ALA 81 3HB ALA 81 173.408 12.330 -5.783 19 H LYS 82 H LYS 82 172.977 14.340 -3.882 20 HA LYS 82 HA LYS 82 175.292 15.057 -2.107 21 1HB LYS 82 2HB LYS 82 172.291 15.442 -1.844 22 2HB LYS 82 1HB LYS 82 173.497 16.014 -0.691 23 1HG LYS 82 2HG LYS 82 174.519 17.414 -2.448 24 2HG LYS 82 1HG LYS 82 173.312 16.846 -3.602 25 1HD LYS 82 2HD LYS 82 171.553 17.711 -1.944 26 2HD LYS 82 1HD LYS 82 172.882 18.550 -1.145 27 1HE LYS 82 2HE LYS 82 172.322 20.219 -2.637 28 2HE LYS 82 1HE LYS 82 173.347 19.270 -3.733 29 1HZ LYS 82 1HZ LYS 82 171.102 19.689 -4.646 30 2HZ LYS 82 2HZ LYS 82 170.434 18.822 -3.346 31 3HZ LYS 82 3HZ LYS 82 171.441 18.038 -4.467 32 H THR 83 H THR 83 175.280 14.172 0.010 33 HA THR 83 HA THR 83 175.166 11.363 0.214 34 HB THR 83 HB THR 83 174.659 13.310 2.485 35 HG1 THR 83 HG1 THR 83 176.425 14.170 1.704 36 1HG2 THR 83 1HG2 THR 83 174.812 10.603 2.565 37 2HG2 THR 83 2HG2 THR 83 175.345 11.643 3.886 38 3HG2 THR 83 3HG2 THR 83 176.519 11.017 2.728 39 H GLU 84 H GLU 84 172.649 13.744 0.730 40 HA GLU 84 HA GLU 84 170.628 12.343 2.072 41 1HB GLU 84 2HB GLU 84 170.586 14.297 -0.252 42 2HB GLU 84 1HB GLU 84 169.128 13.834 0.639 43 1HG GLU 84 2HG GLU 84 170.158 14.625 2.741 44 2HG GLU 84 1HG GLU 84 171.608 15.094 1.854 45 H ASP 85 H ASP 85 171.513 12.149 -1.363 46 HA ASP 85 HA ASP 85 169.300 10.534 -2.236 47 1HB ASP 85 2HB ASP 85 171.161 11.871 -3.510 48 2HB ASP 85 1HB ASP 85 172.088 10.376 -3.374 49 H PHE 86 H PHE 86 172.584 9.688 -1.140 50 HA PHE 86 HA PHE 86 172.177 6.812 -1.336 51 1HB PHE 86 2HB PHE 86 174.259 8.745 -0.625 52 2HB PHE 86 1HB PHE 86 174.299 7.319 0.410 53 HD1 PHE 86 HD1 PHE 86 175.847 8.552 -2.343 54 HD2 PHE 86 HD2 PHE 86 173.541 5.107 -1.215 55 HE1 PHE 86 HE1 PHE 86 176.893 7.247 -4.175 56 HE2 PHE 86 HE2 PHE 86 174.592 3.804 -3.042 57 HZ PHE 86 HZ PHE 86 176.264 4.872 -4.526 58 H VAL 87 H VAL 87 172.013 9.176 1.352 59 HA VAL 87 HA VAL 87 171.782 7.256 3.442 60 HB VAL 87 HB VAL 87 170.769 10.109 3.207 61 1HG1 VAL 87 1HG1 VAL 87 170.840 10.151 5.650 62 2HG1 VAL 87 2HG1 VAL 87 171.397 8.478 5.688 63 3HG1 VAL 87 3HG1 VAL 87 169.771 8.852 5.119 64 1HG2 VAL 87 1HG2 VAL 87 173.240 9.384 4.702 65 2HG2 VAL 87 2HG2 VAL 87 172.897 10.807 3.717 66 3HG2 VAL 87 3HG2 VAL 87 173.332 9.284 2.943 67 H LYS 88 H LYS 88 169.261 9.087 1.663 68 HA LYS 88 HA LYS 88 166.976 8.110 3.035 69 1HB LYS 88 2HB LYS 88 167.371 9.979 1.238 70 2HB LYS 88 1HB LYS 88 166.995 8.698 0.086 71 1HG LYS 88 2HG LYS 88 164.900 9.709 0.539 72 2HG LYS 88 1HG LYS 88 164.909 8.255 1.539 73 1HD LYS 88 2HD LYS 88 165.563 9.542 3.496 74 2HD LYS 88 1HD LYS 88 165.732 11.002 2.521 75 1HE LYS 88 2HE LYS 88 163.223 10.563 1.883 76 2HE LYS 88 1HE LYS 88 163.216 9.576 3.357 77 1HZ LYS 88 1HZ LYS 88 164.215 11.458 4.546 78 2HZ LYS 88 2HZ LYS 88 162.689 11.853 3.912 79 3HZ LYS 88 3HZ LYS 88 164.100 12.406 3.143 80 H ALA 89 H ALA 89 168.770 6.712 0.318 81 HA ALA 89 HA ALA 89 166.893 4.701 -0.468 82 1HB ALA 89 1HB ALA 89 168.957 5.488 -1.664 83 2HB ALA 89 2HB ALA 89 168.820 3.732 -1.571 84 3HB ALA 89 3HB ALA 89 169.920 4.589 -0.491 85 H PHE 90 H PHE 90 169.720 4.343 1.744 86 HA PHE 90 HA PHE 90 168.954 1.628 2.448 87 1HB PHE 90 2HB PHE 90 170.953 3.654 3.477 88 2HB PHE 90 1HB PHE 90 170.832 2.023 4.139 89 HD1 PHE 90 HD1 PHE 90 172.144 4.051 1.461 90 HD2 PHE 90 HD2 PHE 90 171.031 0.041 2.528 91 HE1 PHE 90 HE1 PHE 90 173.500 3.176 -0.419 92 HE2 PHE 90 HE2 PHE 90 172.388 -0.830 0.646 93 HZ PHE 90 HZ PHE 90 173.623 0.733 -0.827 94 H GLN 91 H GLN 91 169.052 4.666 4.359 95 HA GLN 91 HA GLN 91 168.033 3.797 6.772 96 1HB GLN 91 2HB GLN 91 167.729 6.325 5.181 97 2HB GLN 91 1HB GLN 91 166.949 6.185 6.757 98 1HG GLN 91 2HG GLN 91 169.264 5.387 7.604 99 2HG GLN 91 1HG GLN 91 169.890 6.072 6.104 100 1HE2 GLN 91 1HE2 GLN 91 171.031 7.694 7.523 101 2HE2 GLN 91 2HE2 GLN 91 170.162 9.026 8.116 102 H VAL 92 H VAL 92 166.002 4.466 3.880 103 HA VAL 92 HA VAL 92 163.515 4.333 5.249 104 HB VAL 92 HB VAL 92 164.320 3.639 2.400 105 1HG1 VAL 92 1HG1 VAL 92 161.792 4.299 2.051 106 2HG1 VAL 92 2HG1 VAL 92 161.629 3.795 3.734 107 3HG1 VAL 92 3HG1 VAL 92 162.205 2.651 2.521 108 1HG2 VAL 92 1HG2 VAL 92 162.822 6.096 3.229 109 2HG2 VAL 92 2HG2 VAL 92 163.965 5.876 1.904 110 3HG2 VAL 92 3HG2 VAL 92 164.552 6.020 3.561 111 H PHE 93 H PHE 93 165.596 1.775 3.933 112 HA PHE 93 HA PHE 93 163.726 -0.420 4.311 113 1HB PHE 93 2HB PHE 93 165.703 -0.437 2.796 114 2HB PHE 93 1HB PHE 93 166.764 -0.345 4.203 115 HD1 PHE 93 HD1 PHE 93 166.988 -2.242 5.747 116 HD2 PHE 93 HD2 PHE 93 164.490 -2.480 2.260 117 HE1 PHE 93 HE1 PHE 93 166.880 -4.707 5.992 118 HE2 PHE 93 HE2 PHE 93 164.382 -4.945 2.505 119 HZ PHE 93 HZ PHE 93 165.577 -6.059 4.371 120 H ASP 94 H ASP 94 166.552 0.724 6.223 121 HA ASP 94 HA ASP 94 165.917 -1.093 8.430 122 1HB ASP 94 2HB ASP 94 167.780 0.206 9.564 123 2HB ASP 94 1HB ASP 94 168.226 -0.531 8.029 124 H LYS 95 H LYS 95 163.697 -0.403 8.793 125 HA LYS 95 HA LYS 95 162.871 2.233 9.485 126 1HB LYS 95 2HB LYS 95 161.862 -0.504 10.325 127 2HB LYS 95 1HB LYS 95 160.957 0.996 10.532 128 1HG LYS 95 2HG LYS 95 161.977 -0.007 7.860 129 2HG LYS 95 1HG LYS 95 160.337 -0.272 8.452 130 1HD LYS 95 2HD LYS 95 160.154 2.250 8.726 131 2HD LYS 95 1HD LYS 95 161.669 2.372 7.830 132 1HE LYS 95 2HE LYS 95 160.667 1.239 5.902 133 2HE LYS 95 1HE LYS 95 159.154 1.008 6.802 134 1HZ LYS 95 1HZ LYS 95 159.054 3.011 5.441 135 2HZ LYS 95 2HZ LYS 95 160.436 3.626 6.215 136 3HZ LYS 95 3HZ LYS 95 158.997 3.401 7.090 137 H GLU 96 H GLU 96 164.521 -0.248 11.413 138 HA GLU 96 HA GLU 96 163.993 1.180 13.941 139 1HB GLU 96 2HB GLU 96 165.658 -1.253 13.214 140 2HB GLU 96 1HB GLU 96 165.281 -0.736 14.857 141 1HG GLU 96 2HG GLU 96 162.829 -0.917 14.247 142 2HG GLU 96 1HG GLU 96 163.333 -1.678 12.739 143 H SER 97 H SER 97 165.815 2.217 11.569 144 HA SER 97 HA SER 97 167.898 3.215 11.281 145 1HB SER 97 2HB SER 97 166.284 4.550 12.814 146 2HB SER 97 1HB SER 97 167.412 4.135 14.102 147 HG SER 97 HG SER 97 167.639 6.116 12.479 148 H THR 98 H THR 98 168.367 0.495 12.346 149 HA THR 98 HA THR 98 170.203 0.538 14.562 150 HB THR 98 HB THR 98 170.869 -1.686 13.601 151 HG1 THR 98 HG1 THR 98 169.665 -2.275 11.682 152 1HG2 THR 98 1HG2 THR 98 167.919 -1.010 13.666 153 2HG2 THR 98 2HG2 THR 98 168.901 -1.625 14.995 154 3HG2 THR 98 3HG2 THR 98 168.545 -2.658 13.611 155 H GLY 99 H GLY 99 170.614 0.999 11.083 156 1HA GLY 99 2HA GLY 99 172.340 2.333 10.086 157 2HA GLY 99 1HA GLY 99 173.257 2.227 11.583 158 H LYS 100 H LYS 100 172.044 -0.824 10.566 159 HA LYS 100 HA LYS 100 174.644 -1.453 9.221 160 1HB LYS 100 2HB LYS 100 173.147 -2.993 11.363 161 2HB LYS 100 1HB LYS 100 174.593 -3.577 10.538 162 1HG LYS 100 2HG LYS 100 175.710 -1.391 11.304 163 2HG LYS 100 1HG LYS 100 174.334 -1.207 12.392 164 1HD LYS 100 2HD LYS 100 174.818 -3.435 13.362 165 2HD LYS 100 1HD LYS 100 176.221 -3.576 12.302 166 1HE LYS 100 2HE LYS 100 175.945 -1.173 14.101 167 2HE LYS 100 1HE LYS 100 176.609 -2.694 14.732 168 1HZ LYS 100 1HZ LYS 100 178.331 -1.254 13.749 169 2HZ LYS 100 2HZ LYS 100 177.534 -1.340 12.252 170 3HZ LYS 100 3HZ LYS 100 178.198 -2.741 12.946 171 H VAL 101 H VAL 101 174.478 -3.227 7.657 172 HA VAL 101 HA VAL 101 171.795 -4.363 7.142 173 HB VAL 101 HB VAL 101 171.882 -3.563 4.767 174 1HG1 VAL 101 1HG1 VAL 101 170.744 -2.287 6.670 175 2HG1 VAL 101 2HG1 VAL 101 171.139 -1.345 5.232 176 3HG1 VAL 101 3HG1 VAL 101 172.153 -1.228 6.669 177 1HG2 VAL 101 1HG2 VAL 101 174.219 -1.893 5.752 178 2HG2 VAL 101 2HG2 VAL 101 173.513 -1.855 4.136 179 3HG2 VAL 101 3HG2 VAL 101 174.368 -3.294 4.691 180 H SER 102 H SER 102 171.903 -6.126 5.508 181 HA SER 102 HA SER 102 174.390 -7.687 5.745 182 1HB SER 102 2HB SER 102 172.906 -9.290 4.394 183 2HB SER 102 1HB SER 102 172.315 -8.835 5.989 184 HG SER 102 HG SER 102 170.742 -8.667 4.269 185 H VAL 103 H VAL 103 175.766 -8.202 3.993 186 HA VAL 103 HA VAL 103 176.163 -6.319 1.916 187 HB VAL 103 HB VAL 103 177.824 -7.931 2.772 188 1HG1 VAL 103 1HG1 VAL 103 177.683 -10.254 2.428 189 2HG1 VAL 103 2HG1 VAL 103 176.471 -10.085 1.157 190 3HG1 VAL 103 3HG1 VAL 103 176.027 -9.811 2.842 191 1HG2 VAL 103 1HG2 VAL 103 178.174 -6.961 0.535 192 2HG2 VAL 103 2HG2 VAL 103 177.232 -8.265 -0.186 193 3HG2 VAL 103 3HG2 VAL 103 178.776 -8.619 0.588 194 H GLY 104 H GLY 104 174.338 -9.408 1.851 195 1HA GLY 104 2HA GLY 104 173.819 -9.482 -0.934 196 2HA GLY 104 1HA GLY 104 172.800 -10.226 0.297 197 H ASP 105 H ASP 105 172.039 -7.875 1.697 198 HA ASP 105 HA ASP 105 169.939 -6.882 -0.091 199 1HB ASP 105 2HB ASP 105 169.718 -7.481 2.361 200 2HB ASP 105 1HB ASP 105 170.679 -6.049 2.730 201 H LEU 106 H LEU 106 172.783 -5.527 1.562 202 HA LEU 106 HA LEU 106 172.441 -2.799 0.823 203 1HB LEU 106 2HB LEU 106 174.038 -3.679 2.502 204 2HB LEU 106 1HB LEU 106 174.974 -4.431 1.209 205 HG LEU 106 HG LEU 106 174.397 -1.513 0.964 206 1HD1 LEU 106 1HD1 LEU 106 176.706 -1.351 2.309 207 2HD1 LEU 106 2HD1 LEU 106 176.044 -2.775 3.110 208 3HD1 LEU 106 3HD1 LEU 106 175.148 -1.256 3.129 209 1HD2 LEU 106 1HD2 LEU 106 175.656 -2.363 -0.822 210 2HD2 LEU 106 2HD2 LEU 106 176.558 -3.468 0.213 211 3HD2 LEU 106 3HD2 LEU 106 176.911 -1.740 0.249 212 H ARG 107 H ARG 107 174.345 -5.371 -0.812 213 HA ARG 107 HA ARG 107 175.148 -3.756 -3.038 214 1HB ARG 107 2HB ARG 107 176.007 -6.039 -2.172 215 2HB ARG 107 1HB ARG 107 174.677 -6.747 -3.089 216 1HG ARG 107 2HG ARG 107 175.581 -5.361 -5.084 217 2HG ARG 107 1HG ARG 107 177.052 -5.193 -4.122 218 1HD ARG 107 2HD ARG 107 175.786 -7.889 -4.704 219 2HD ARG 107 1HD ARG 107 177.056 -7.177 -5.719 220 HE ARG 107 HE ARG 107 178.011 -6.955 -3.096 221 1HH1 ARG 107 1HH2 ARG 107 176.271 -9.645 -3.508 222 2HH1 ARG 107 2HH2 ARG 107 177.585 -10.772 -3.569 223 1HH2 ARG 107 2HH1 ARG 107 180.017 -8.325 -3.908 224 2HH2 ARG 107 1HH1 ARG 107 179.706 -10.025 -3.795 225 H TYR 108 H TYR 108 172.221 -5.642 -2.411 226 HA TYR 108 HA TYR 108 171.231 -5.640 -5.121 227 1HB TYR 108 2HB TYR 108 170.479 -7.132 -3.260 228 2HB TYR 108 1HB TYR 108 169.743 -5.736 -2.471 229 HD1 TYR 108 HD1 TYR 108 169.536 -8.068 -5.314 230 HD2 TYR 108 HD2 TYR 108 167.745 -4.669 -3.392 231 HE1 TYR 108 HE1 TYR 108 167.498 -8.360 -6.697 232 HE2 TYR 108 HE2 TYR 108 165.707 -4.962 -4.775 233 HH TYR 108 HH TYR 108 165.154 -7.783 -6.658 234 H MET 109 H MET 109 170.483 -3.496 -2.332 235 HA MET 109 HA MET 109 168.763 -1.796 -3.882 236 1HB MET 109 2HB MET 109 169.982 -1.917 -1.196 237 2HB MET 109 1HB MET 109 169.538 -0.299 -1.736 238 1HG MET 109 2HG MET 109 167.421 -2.136 -2.420 239 2HG MET 109 1HG MET 109 167.835 -2.328 -0.721 240 1HE MET 109 1HE MET 109 167.866 0.124 -3.408 241 2HE MET 109 2HE MET 109 168.190 1.550 -2.426 242 3HE MET 109 3HE MET 109 166.578 1.292 -3.085 243 H LEU 110 H LEU 110 172.229 -1.727 -3.052 244 HA LEU 110 HA LEU 110 172.891 0.926 -3.727 245 1HB LEU 110 2HB LEU 110 174.378 -0.782 -2.715 246 2HB LEU 110 1HB LEU 110 174.379 -1.681 -4.230 247 HG LEU 110 HG LEU 110 175.299 0.430 -5.326 248 1HD1 LEU 110 1HD1 LEU 110 176.192 1.202 -2.565 249 2HD1 LEU 110 2HD1 LEU 110 174.616 1.747 -3.142 250 3HD1 LEU 110 3HD1 LEU 110 176.080 2.197 -4.016 251 1HD2 LEU 110 1HD2 LEU 110 176.554 -1.701 -4.280 252 2HD2 LEU 110 2HD2 LEU 110 177.252 -0.451 -3.252 253 3HD2 LEU 110 3HD2 LEU 110 177.440 -0.358 -5.003 254 H THR 111 H THR 111 172.612 -1.948 -5.845 255 HA THR 111 HA THR 111 173.333 -0.609 -8.276 256 HB THR 111 HB THR 111 171.558 -3.028 -7.865 257 HG1 THR 111 HG1 THR 111 174.376 -2.739 -7.907 258 1HG2 THR 111 1HG2 THR 111 171.512 -2.704 -10.144 259 2HG2 THR 111 2HG2 THR 111 173.025 -3.600 -10.024 260 3HG2 THR 111 3HG2 THR 111 173.050 -1.842 -10.159 261 H GLY 112 H GLY 112 170.460 -0.513 -6.385 262 1HA GLY 112 2HA GLY 112 168.671 0.197 -8.616 263 2HA GLY 112 1HA GLY 112 168.217 0.079 -6.918 264 H LEU 113 H LEU 113 170.853 1.784 -6.502 265 HA LEU 113 HA LEU 113 169.412 4.355 -6.493 266 1HB LEU 113 2HB LEU 113 170.992 2.968 -4.738 267 2HB LEU 113 1HB LEU 113 172.153 4.106 -5.422 268 HG LEU 113 HG LEU 113 169.454 4.896 -4.289 269 1HD1 LEU 113 1HD1 LEU 113 172.232 4.982 -3.094 270 2HD1 LEU 113 2HD1 LEU 113 170.865 4.042 -2.504 271 3HD1 LEU 113 3HD1 LEU 113 170.834 5.804 -2.404 272 1HD2 LEU 113 1HD2 LEU 113 170.741 7.156 -4.259 273 2HD2 LEU 113 2HD2 LEU 113 170.122 6.575 -5.805 274 3HD2 LEU 113 3HD2 LEU 113 171.829 6.378 -5.407 275 H GLY 114 H GLY 114 171.237 2.928 -8.858 276 1HA GLY 114 2HA GLY 114 172.015 4.233 -10.779 277 2HA GLY 114 1HA GLY 114 172.444 5.536 -9.667 278 H GLU 115 H GLU 115 173.104 2.197 -9.029 279 HA GLU 115 HA GLU 115 176.063 2.714 -9.277 280 1HB GLU 115 2HB GLU 115 174.582 0.768 -7.484 281 2HB GLU 115 1HB GLU 115 176.312 1.081 -7.473 282 1HG GLU 115 2HG GLU 115 174.262 3.256 -6.988 283 2HG GLU 115 1HG GLU 115 174.988 2.323 -5.684 284 H LYS 116 H LYS 116 176.940 1.582 -11.002 285 HA LYS 116 HA LYS 116 175.706 -1.049 -11.654 286 1HB LYS 116 2HB LYS 116 176.684 1.173 -13.477 287 2HB LYS 116 1HB LYS 116 176.402 -0.465 -14.071 288 1HG LYS 116 2HG LYS 116 174.063 -0.349 -13.296 289 2HG LYS 116 1HG LYS 116 174.341 1.290 -12.704 290 1HD LYS 116 2HD LYS 116 174.774 2.098 -14.941 291 2HD LYS 116 1HD LYS 116 174.740 0.458 -15.590 292 1HE LYS 116 2HE LYS 116 172.588 1.552 -16.045 293 2HE LYS 116 1HE LYS 116 172.341 0.275 -14.836 294 1HZ LYS 116 1HZ LYS 116 172.460 1.851 -13.086 295 2HZ LYS 116 2HZ LYS 116 171.371 2.484 -14.226 296 3HZ LYS 116 3HZ LYS 116 172.954 3.092 -14.131 297 H LEU 117 H LEU 117 177.490 -1.375 -9.929 298 HA LEU 117 HA LEU 117 180.200 -1.698 -11.090 299 1HB LEU 117 2HB LEU 117 178.983 -2.310 -8.369 300 2HB LEU 117 1HB LEU 117 180.701 -2.379 -8.757 301 HG LEU 117 HG LEU 117 179.030 0.121 -9.092 302 1HD1 LEU 117 1HD1 LEU 117 180.876 -0.639 -6.808 303 2HD1 LEU 117 2HD1 LEU 117 179.116 -0.589 -6.711 304 3HD1 LEU 117 3HD1 LEU 117 180.026 0.895 -6.990 305 1HD2 LEU 117 1HD2 LEU 117 181.003 0.201 -10.441 306 2HD2 LEU 117 2HD2 LEU 117 181.987 -0.519 -9.167 307 3HD2 LEU 117 3HD2 LEU 117 181.382 1.128 -8.989 308 H THR 118 H THR 118 181.095 -3.834 -11.390 309 HA THR 118 HA THR 118 179.043 -6.017 -11.504 310 HB THR 118 HB THR 118 181.676 -5.860 -12.963 311 HG1 THR 118 HG1 THR 118 180.603 -4.838 -14.605 312 1HG2 THR 118 1HG2 THR 118 180.548 -7.377 -14.527 313 2HG2 THR 118 2HG2 THR 118 179.071 -7.278 -13.570 314 3HG2 THR 118 3HG2 THR 118 180.509 -8.039 -12.892 315 H ASP 119 H ASP 119 179.506 -7.975 -10.400 316 HA ASP 119 HA ASP 119 180.968 -8.203 -8.128 317 1HB ASP 119 2HB ASP 119 179.476 -9.891 -9.248 318 2HB ASP 119 1HB ASP 119 180.849 -10.359 -10.252 319 H ALA 120 H ALA 120 182.380 -8.376 -11.363 320 HA ALA 120 HA ALA 120 185.009 -9.350 -10.686 321 1HB ALA 120 1HB ALA 120 184.596 -7.251 -12.770 322 2HB ALA 120 2HB ALA 120 183.687 -8.752 -12.949 323 3HB ALA 120 3HB ALA 120 185.448 -8.790 -12.886 324 H GLU 121 H GLU 121 183.757 -6.018 -11.080 325 HA GLU 121 HA GLU 121 186.164 -4.782 -9.975 326 1HB GLU 121 2HB GLU 121 183.431 -3.922 -10.899 327 2HB GLU 121 1HB GLU 121 184.474 -2.776 -10.059 328 1HG GLU 121 2HG GLU 121 184.963 -2.474 -12.367 329 2HG GLU 121 1HG GLU 121 186.296 -3.445 -11.740 330 H VAL 122 H VAL 122 182.861 -5.441 -8.813 331 HA VAL 122 HA VAL 122 183.043 -4.111 -6.276 332 HB VAL 122 HB VAL 122 181.452 -6.550 -7.145 333 1HG1 VAL 122 1HG1 VAL 122 181.233 -4.663 -4.792 334 2HG1 VAL 122 2HG1 VAL 122 181.266 -6.426 -4.778 335 3HG1 VAL 122 3HG1 VAL 122 179.838 -5.576 -5.374 336 1HG2 VAL 122 1HG2 VAL 122 181.109 -4.584 -8.604 337 2HG2 VAL 122 2HG2 VAL 122 180.772 -3.593 -7.185 338 3HG2 VAL 122 3HG2 VAL 122 179.675 -4.899 -7.628 339 H ASP 123 H ASP 123 184.016 -7.392 -7.280 340 HA ASP 123 HA ASP 123 184.508 -8.394 -4.629 341 1HB ASP 123 2HB ASP 123 184.315 -9.739 -6.747 342 2HB ASP 123 1HB ASP 123 185.876 -9.098 -7.255 343 H GLU 124 H GLU 124 186.501 -6.590 -6.939 344 HA GLU 124 HA GLU 124 189.013 -6.686 -5.567 345 1HB GLU 124 2HB GLU 124 187.665 -4.618 -7.327 346 2HB GLU 124 1HB GLU 124 189.354 -4.515 -6.838 347 1HG GLU 124 2HG GLU 124 188.193 -6.941 -8.226 348 2HG GLU 124 1HG GLU 124 188.949 -5.606 -9.099 349 H LEU 125 H LEU 125 186.327 -4.340 -5.371 350 HA LEU 125 HA LEU 125 187.439 -2.606 -3.393 351 1HB LEU 125 2HB LEU 125 184.610 -3.380 -4.159 352 2HB LEU 125 1HB LEU 125 184.990 -2.044 -3.076 353 HG LEU 125 HG LEU 125 186.088 -2.306 -5.886 354 1HD1 LEU 125 1HD1 LEU 125 184.010 -0.308 -5.024 355 2HD1 LEU 125 2HD1 LEU 125 183.520 -1.922 -5.539 356 3HD1 LEU 125 3HD1 LEU 125 184.400 -0.871 -6.649 357 1HD2 LEU 125 1HD2 LEU 125 186.469 0.211 -5.414 358 2HD2 LEU 125 2HD2 LEU 125 187.548 -0.936 -4.621 359 3HD2 LEU 125 3HD2 LEU 125 186.220 -0.207 -3.719 360 H LEU 126 H LEU 126 185.236 -5.393 -3.111 361 HA LEU 126 HA LEU 126 184.875 -5.403 -0.285 362 1HB LEU 126 2HB LEU 126 184.820 -7.520 -2.441 363 2HB LEU 126 1HB LEU 126 184.361 -7.863 -0.772 364 HG LEU 126 HG LEU 126 183.141 -5.580 -2.332 365 1HD1 LEU 126 1HD1 LEU 126 182.204 -8.455 -2.107 366 2HD1 LEU 126 2HD1 LEU 126 182.652 -7.606 -3.586 367 3HD1 LEU 126 3HD1 LEU 126 181.204 -7.128 -2.700 368 1HD2 LEU 126 1HD2 LEU 126 182.740 -6.911 0.303 369 2HD2 LEU 126 2HD2 LEU 126 181.283 -6.413 -0.557 370 3HD2 LEU 126 3HD2 LEU 126 182.516 -5.221 -0.147 371 H LYS 127 H LYS 127 187.619 -6.356 -2.215 372 HA LYS 127 HA LYS 127 188.829 -8.371 -0.695 373 1HB LYS 127 2HB LYS 127 189.539 -7.480 -2.900 374 2HB LYS 127 1HB LYS 127 190.146 -6.030 -2.099 375 1HG LYS 127 2HG LYS 127 191.677 -7.438 -0.746 376 2HG LYS 127 1HG LYS 127 191.098 -8.867 -1.601 377 1HD LYS 127 2HD LYS 127 191.927 -8.005 -3.715 378 2HD LYS 127 1HD LYS 127 192.375 -6.477 -2.957 379 1HE LYS 127 2HE LYS 127 194.410 -7.737 -3.076 380 2HE LYS 127 1HE LYS 127 193.871 -7.903 -1.393 381 1HZ LYS 127 1HZ LYS 127 192.731 -9.948 -1.993 382 2HZ LYS 127 2HZ LYS 127 194.385 -10.067 -2.360 383 3HZ LYS 127 3HZ LYS 127 193.255 -9.799 -3.600 384 H GLY 128 H GLY 128 188.464 -4.973 0.094 385 1HA GLY 128 2HA GLY 128 190.329 -5.307 2.405 386 2HA GLY 128 1HA GLY 128 189.999 -3.758 1.631 387 H VAL 129 H VAL 129 187.024 -4.964 1.542 388 HA VAL 129 HA VAL 129 186.100 -3.472 3.848 389 HB VAL 129 HB VAL 129 184.714 -5.473 2.022 390 1HG1 VAL 129 1HG1 VAL 129 183.558 -3.281 3.772 391 2HG1 VAL 129 2HG1 VAL 129 183.489 -5.004 4.138 392 3HG1 VAL 129 3HG1 VAL 129 182.643 -4.368 2.727 393 1HG2 VAL 129 1HG2 VAL 129 184.630 -2.457 1.854 394 2HG2 VAL 129 2HG2 VAL 129 184.144 -3.633 0.632 395 3HG2 VAL 129 3HG2 VAL 129 185.853 -3.397 0.999 396 H GLU 130 H GLU 130 185.677 -4.126 5.837 397 HA GLU 130 HA GLU 130 186.259 -6.962 6.616 398 1HB GLU 130 2HB GLU 130 187.473 -4.951 7.557 399 2HB GLU 130 1HB GLU 130 185.948 -4.469 8.301 400 1HG GLU 130 2HG GLU 130 187.210 -5.732 9.939 401 2HG GLU 130 1HG GLU 130 185.855 -6.728 9.405 402 H VAL 131 H VAL 131 184.348 -8.090 6.414 403 HA VAL 131 HA VAL 131 181.789 -7.004 7.423 404 HB VAL 131 HB VAL 131 181.920 -8.379 5.371 405 1HG1 VAL 131 1HG1 VAL 131 182.360 -10.922 5.861 406 2HG1 VAL 131 2HG1 VAL 131 183.264 -10.311 7.246 407 3HG1 VAL 131 3HG1 VAL 131 183.730 -9.838 5.613 408 1HG2 VAL 131 1HG2 VAL 131 180.629 -10.114 7.460 409 2HG2 VAL 131 2HG2 VAL 131 180.064 -9.738 5.833 410 3HG2 VAL 131 3HG2 VAL 131 179.986 -8.514 7.100 411 H ASP 132 H ASP 132 180.636 -8.105 9.201 412 HA ASP 132 HA ASP 132 182.512 -9.037 11.300 413 1HB ASP 132 2HB ASP 132 179.604 -8.194 11.228 414 2HB ASP 132 1HB ASP 132 180.420 -8.724 12.699 415 H SER 133 H SER 133 181.327 -10.702 12.833 416 HA SER 133 HA SER 133 181.179 -13.222 11.426 417 1HB SER 133 2HB SER 133 180.846 -12.214 14.227 418 2HB SER 133 1HB SER 133 180.370 -13.870 13.860 419 HG SER 133 HG SER 133 182.656 -13.412 14.504 420 H ASN 134 H ASN 134 178.786 -10.841 11.702 421 HA ASN 134 HA ASN 134 176.565 -12.846 11.694 422 1HB ASN 134 2HB ASN 134 175.185 -10.861 12.260 423 2HB ASN 134 1HB ASN 134 176.504 -11.065 13.412 424 1HD2 ASN 134 1HD2 ASN 134 175.826 -8.575 13.598 425 2HD2 ASN 134 2HD2 ASN 134 176.728 -7.513 12.629 426 H GLY 135 H GLY 135 178.405 -10.810 9.631 427 1HA GLY 135 2HA GLY 135 178.199 -10.793 7.251 428 2HA GLY 135 1HA GLY 135 176.557 -11.414 7.412 429 H GLU 136 H GLU 136 177.626 -8.694 9.327 430 HA GLU 136 HA GLU 136 175.753 -6.950 7.774 431 1HB GLU 136 2HB GLU 136 176.659 -7.043 10.659 432 2HB GLU 136 1HB GLU 136 175.734 -5.694 10.000 433 1HG GLU 136 2HG GLU 136 173.941 -7.247 9.324 434 2HG GLU 136 1HG GLU 136 174.862 -8.598 9.983 435 H ILE 137 H ILE 137 176.504 -5.104 6.886 436 HA ILE 137 HA ILE 137 179.269 -4.174 7.583 437 HB ILE 137 HB ILE 137 177.922 -4.395 4.870 438 1HG1 ILE 137 2HG1 ILE 137 180.158 -5.842 4.634 439 2HG1 ILE 137 1HG1 ILE 137 179.940 -6.010 6.375 440 1HG2 ILE 137 1HG2 ILE 137 180.061 -3.596 3.958 441 2HG2 ILE 137 2HG2 ILE 137 180.706 -3.427 5.591 442 3HG2 ILE 137 3HG2 ILE 137 179.381 -2.395 5.057 443 1HD1 ILE 137 1HD1 ILE 137 178.117 -7.349 6.140 444 2HD1 ILE 137 2HD1 ILE 137 178.729 -7.605 4.508 445 3HD1 ILE 137 3HD1 ILE 137 177.475 -6.401 4.799 446 H ASP 138 H ASP 138 179.444 -1.966 7.825 447 HA ASP 138 HA ASP 138 177.060 -0.402 8.247 448 1HB ASP 138 2HB ASP 138 179.565 -0.280 9.135 449 2HB ASP 138 1HB ASP 138 179.749 0.844 7.790 450 H TYR 139 H TYR 139 175.798 0.209 6.502 451 HA TYR 139 HA TYR 139 176.687 0.389 3.795 452 1HB TYR 139 2HB TYR 139 174.459 1.033 3.362 453 2HB TYR 139 1HB TYR 139 174.369 0.001 4.781 454 HD1 TYR 139 HD1 TYR 139 173.753 3.295 3.417 455 HD2 TYR 139 HD2 TYR 139 174.117 1.075 7.076 456 HE1 TYR 139 HE1 TYR 139 172.576 5.106 4.632 457 HE2 TYR 139 HE2 TYR 139 172.946 2.890 8.289 458 HH TYR 139 HH TYR 139 172.593 5.409 7.940 459 H LYS 140 H LYS 140 176.473 2.886 6.322 460 HA LYS 140 HA LYS 140 176.763 5.132 4.545 461 1HB LYS 140 2HB LYS 140 177.251 4.687 7.500 462 2HB LYS 140 1HB LYS 140 177.381 6.275 6.743 463 1HG LYS 140 2HG LYS 140 174.972 5.487 5.775 464 2HG LYS 140 1HG LYS 140 174.973 4.648 7.326 465 1HD LYS 140 2HD LYS 140 175.752 7.552 7.168 466 2HD LYS 140 1HD LYS 140 174.052 7.085 7.233 467 1HE LYS 140 2HE LYS 140 174.433 7.194 9.507 468 2HE LYS 140 1HE LYS 140 175.040 5.547 9.251 469 1HZ LYS 140 1HZ LYS 140 177.235 6.349 8.972 470 2HZ LYS 140 2HZ LYS 140 176.640 7.093 10.378 471 3HZ LYS 140 3HZ LYS 140 176.725 7.966 8.923 472 H LYS 141 H LYS 141 179.058 3.121 6.332 473 HA LYS 141 HA LYS 141 181.393 4.758 5.882 474 1HB LYS 141 2HB LYS 141 180.939 1.848 6.575 475 2HB LYS 141 1HB LYS 141 182.539 2.588 6.547 476 1HG LYS 141 2HG LYS 141 180.285 3.812 8.135 477 2HG LYS 141 1HG LYS 141 181.292 2.533 8.814 478 1HD LYS 141 2HD LYS 141 183.308 3.878 8.397 479 2HD LYS 141 1HD LYS 141 182.320 5.153 7.683 480 1HE LYS 141 2HE LYS 141 181.160 5.499 9.820 481 2HE LYS 141 1HE LYS 141 182.081 4.169 10.551 482 1HZ LYS 141 1HZ LYS 141 183.054 6.444 10.892 483 2HZ LYS 141 2HZ LYS 141 183.365 6.491 9.223 484 3HZ LYS 141 3HZ LYS 141 184.105 5.311 10.194 485 H PHE 142 H PHE 142 180.147 1.848 4.206 486 HA PHE 142 HA PHE 142 182.344 1.697 2.371 487 1HB PHE 142 2HB PHE 142 180.776 -0.152 3.022 488 2HB PHE 142 1HB PHE 142 179.512 0.639 2.080 489 HD1 PHE 142 HD1 PHE 142 179.141 -0.417 0.036 490 HD2 PHE 142 HD2 PHE 142 183.157 -0.080 1.525 491 HE1 PHE 142 HE1 PHE 142 179.998 -1.525 -2.015 492 HE2 PHE 142 HE2 PHE 142 184.012 -1.184 -0.523 493 HZ PHE 142 HZ PHE 142 182.433 -1.908 -2.292 494 H ILE 143 H ILE 143 179.291 3.488 2.272 495 HA ILE 143 HA ILE 143 179.541 4.096 -0.594 496 HB ILE 143 HB ILE 143 177.538 5.441 -0.182 497 1HG1 ILE 143 2HG1 ILE 143 178.003 4.859 2.769 498 2HG1 ILE 143 1HG1 ILE 143 178.216 6.424 1.995 499 1HG2 ILE 143 1HG2 ILE 143 177.651 2.732 1.147 500 2HG2 ILE 143 2HG2 ILE 143 177.044 3.142 -0.455 501 3HG2 ILE 143 3HG2 ILE 143 176.137 3.618 0.978 502 1HD1 ILE 143 1HD1 ILE 143 175.820 6.377 1.310 503 2HD1 ILE 143 2HD1 ILE 143 176.033 6.368 3.061 504 3HD1 ILE 143 3HD1 ILE 143 175.625 4.876 2.214 505 H GLU 144 H GLU 144 180.084 5.885 2.464 506 HA GLU 144 HA GLU 144 180.863 8.369 1.263 507 1HB GLU 144 2HB GLU 144 181.562 6.964 3.859 508 2HB GLU 144 1HB GLU 144 182.019 8.633 3.515 509 1HG GLU 144 2HG GLU 144 179.660 9.242 3.217 510 2HG GLU 144 1HG GLU 144 179.177 7.570 3.498 511 H ASP 145 H ASP 145 182.594 5.335 1.720 512 HA ASP 145 HA ASP 145 185.176 6.593 1.034 513 1HB ASP 145 2HB ASP 145 184.758 4.683 2.737 514 2HB ASP 145 1HB ASP 145 184.562 3.641 1.327 515 H VAL 146 H VAL 146 182.520 5.280 -0.666 516 HA VAL 146 HA VAL 146 184.179 4.555 -3.033 517 HB VAL 146 HB VAL 146 181.243 4.296 -2.276 518 1HG1 VAL 146 1HG1 VAL 146 181.490 4.758 -4.721 519 2HG1 VAL 146 2HG1 VAL 146 180.898 3.129 -4.398 520 3HG1 VAL 146 3HG1 VAL 146 182.586 3.381 -4.841 521 1HG2 VAL 146 1HG2 VAL 146 181.690 2.010 -2.019 522 2HG2 VAL 146 2HG2 VAL 146 183.160 2.753 -1.391 523 3HG2 VAL 146 3HG2 VAL 146 183.138 2.082 -3.022 524 H LEU 147 H LEU 147 181.689 6.786 -1.896 525 HA LEU 147 HA LEU 147 181.224 8.353 -4.248 526 1HB LEU 147 2HB LEU 147 181.177 8.885 -1.273 527 2HB LEU 147 1HB LEU 147 180.691 10.106 -2.450 528 HG LEU 147 HG LEU 147 179.514 7.320 -2.412 529 1HD1 LEU 147 1HD1 LEU 147 177.776 8.045 -1.020 530 2HD1 LEU 147 2HD1 LEU 147 178.111 9.750 -1.327 531 3HD1 LEU 147 3HD1 LEU 147 179.182 8.814 -0.283 532 1HD2 LEU 147 1HD2 LEU 147 178.892 8.174 -4.451 533 2HD2 LEU 147 2HD2 LEU 147 179.105 9.846 -3.932 534 3HD2 LEU 147 3HD2 LEU 147 177.648 8.961 -3.481 535 H ARG 148 H ARG 148 184.057 8.217 -2.231 536 HA ARG 148 HA ARG 148 185.105 10.837 -2.605 537 1HB ARG 148 2HB ARG 148 186.381 8.103 -2.319 538 2HB ARG 148 1HB ARG 148 187.306 9.604 -2.267 539 1HG ARG 148 2HG ARG 148 185.612 10.344 -0.451 540 2HG ARG 148 1HG ARG 148 185.198 8.634 -0.349 541 1HD ARG 148 2HD ARG 148 188.011 9.739 -0.034 542 2HD ARG 148 1HD ARG 148 186.960 9.238 1.304 543 HE ARG 148 HE ARG 148 186.915 7.048 -0.375 544 1HH1 ARG 148 1HH2 ARG 148 189.614 7.840 -1.345 545 2HH1 ARG 148 2HH2 ARG 148 190.665 7.057 -0.212 546 1HH2 ARG 148 2HH1 ARG 148 188.167 6.519 2.135 547 2HH2 ARG 148 1HH1 ARG 148 189.845 6.309 1.758 548 H GLN 149 HN GLN 149 185.326 7.925 -4.656 549 HA GLN 149 HA GLN 149 186.877 9.401 -6.711 550 1HB GLN 149 2HB GLN 149 186.007 6.555 -6.215 551 2HB GLN 149 1HB GLN 149 186.674 7.032 -7.777 552 1HG GLN 149 2HG GLN 149 188.679 7.940 -6.593 553 2HG GLN 149 1HG GLN 149 188.025 7.319 -5.077 554 1HE2 GLN 149 1HE2 GLN 149 190.154 6.523 -7.530 555 2HE2 GLN 149 2HE2 GLN 149 190.117 4.833 -7.384 Start of MODEL 10 1 1H LYS 80 H LYS 80 178.466 15.651 -7.217 2 HA LYS 80 HA LYS 80 176.431 17.142 -8.758 3 1HB LYS 80 2HB LYS 80 178.023 15.321 -9.609 4 2HB LYS 80 1HB LYS 80 177.021 14.173 -8.720 5 1HG LYS 80 2HG LYS 80 176.100 14.167 -10.899 6 2HG LYS 80 1HG LYS 80 175.028 15.227 -9.982 7 1HD LYS 80 2HD LYS 80 175.856 17.160 -10.986 8 2HD LYS 80 1HD LYS 80 177.401 16.410 -11.390 9 1HE LYS 80 2HE LYS 80 176.426 15.155 -13.192 10 2HE LYS 80 1HE LYS 80 174.781 15.567 -12.671 11 1HZ LYS 80 1HZ LYS 80 175.588 17.011 -14.484 12 2HZ LYS 80 2HZ LYS 80 176.842 17.552 -13.473 13 3HZ LYS 80 3HZ LYS 80 175.223 17.879 -13.073 14 H ALA 81 H ALA 81 176.477 14.255 -6.670 15 HA ALA 81 HA ALA 81 173.577 14.672 -5.999 16 1HB ALA 81 1HB ALA 81 174.425 12.579 -7.164 17 2HB ALA 81 2HB ALA 81 173.565 12.294 -5.651 18 3HB ALA 81 3HB ALA 81 175.328 12.221 -5.692 19 H LYS 82 H LYS 82 172.994 14.242 -3.701 20 HA LYS 82 HA LYS 82 175.228 14.976 -1.837 21 1HB LYS 82 2HB LYS 82 173.176 16.454 -2.223 22 2HB LYS 82 1HB LYS 82 172.238 15.190 -1.426 23 1HG LYS 82 2HG LYS 82 173.416 15.457 0.622 24 2HG LYS 82 1HG LYS 82 174.694 16.399 -0.148 25 1HD LYS 82 2HD LYS 82 173.233 18.270 -0.487 26 2HD LYS 82 1HD LYS 82 171.815 17.323 -0.036 27 1HE LYS 82 2HE LYS 82 172.389 18.676 1.885 28 2HE LYS 82 1HE LYS 82 172.913 17.021 2.261 29 1HZ LYS 82 1HZ LYS 82 174.695 18.609 2.683 30 2HZ LYS 82 2HZ LYS 82 174.618 19.149 1.074 31 3HZ LYS 82 3HZ LYS 82 175.114 17.561 1.419 32 H THR 83 H THR 83 175.189 14.040 0.251 33 HA THR 83 HA THR 83 175.149 11.222 0.396 34 HB THR 83 HB THR 83 174.549 13.142 2.674 35 HG1 THR 83 HG1 THR 83 176.773 13.402 2.788 36 1HG2 THR 83 1HG2 THR 83 176.420 11.035 3.262 37 2HG2 THR 83 2HG2 THR 83 174.951 10.332 2.586 38 3HG2 THR 83 3HG2 THR 83 174.859 11.364 4.014 39 H GLU 84 H GLU 84 172.550 13.519 0.874 40 HA GLU 84 HA GLU 84 170.544 12.028 2.146 41 1HB GLU 84 2HB GLU 84 170.532 14.068 -0.096 42 2HB GLU 84 1HB GLU 84 169.038 13.498 0.662 43 1HG GLU 84 2HG GLU 84 170.008 14.161 2.896 44 2HG GLU 84 1HG GLU 84 171.349 14.906 2.026 45 H ASP 85 H ASP 85 171.506 11.935 -1.277 46 HA ASP 85 HA ASP 85 169.363 10.350 -2.292 47 1HB ASP 85 2HB ASP 85 171.064 11.567 -3.628 48 2HB ASP 85 1HB ASP 85 172.296 10.429 -3.080 49 H PHE 86 H PHE 86 172.582 9.331 -1.127 50 HA PHE 86 HA PHE 86 171.965 6.484 -1.248 51 1HB PHE 86 2HB PHE 86 174.184 8.290 -0.473 52 2HB PHE 86 1HB PHE 86 174.159 6.735 0.357 53 HD1 PHE 86 HD1 PHE 86 175.658 8.267 -2.284 54 HD2 PHE 86 HD2 PHE 86 173.258 4.792 -1.492 55 HE1 PHE 86 HE1 PHE 86 176.576 7.167 -4.309 56 HE2 PHE 86 HE2 PHE 86 174.178 3.695 -3.516 57 HZ PHE 86 HZ PHE 86 175.835 4.881 -4.926 58 H VAL 87 H VAL 87 172.093 8.914 1.381 59 HA VAL 87 HA VAL 87 171.791 7.139 3.557 60 HB VAL 87 HB VAL 87 170.837 9.993 3.148 61 1HG1 VAL 87 1HG1 VAL 87 170.900 8.196 5.532 62 2HG1 VAL 87 2HG1 VAL 87 169.787 9.509 5.144 63 3HG1 VAL 87 3HG1 VAL 87 171.396 9.871 5.769 64 1HG2 VAL 87 1HG2 VAL 87 173.277 9.290 4.704 65 2HG2 VAL 87 2HG2 VAL 87 172.983 10.659 3.632 66 3HG2 VAL 87 3HG2 VAL 87 173.374 9.078 2.956 67 H LYS 88 H LYS 88 169.288 8.979 1.764 68 HA LYS 88 HA LYS 88 166.986 8.029 3.133 69 1HB LYS 88 2HB LYS 88 167.562 9.064 0.356 70 2HB LYS 88 1HB LYS 88 165.923 8.643 0.850 71 1HG LYS 88 2HG LYS 88 167.615 10.463 2.553 72 2HG LYS 88 1HG LYS 88 166.714 11.101 1.177 73 1HD LYS 88 2HD LYS 88 164.653 9.973 2.148 74 2HD LYS 88 1HD LYS 88 165.605 9.670 3.603 75 1HE LYS 88 2HE LYS 88 165.753 11.948 4.140 76 2HE LYS 88 1HE LYS 88 165.455 12.460 2.467 77 1HZ LYS 88 1HZ LYS 88 163.470 12.716 3.860 78 2HZ LYS 88 2HZ LYS 88 163.491 11.051 4.199 79 3HZ LYS 88 3HZ LYS 88 163.219 11.595 2.612 80 H ALA 89 H ALA 89 168.770 6.669 0.403 81 HA ALA 89 HA ALA 89 166.900 4.658 -0.397 82 1HB ALA 89 1HB ALA 89 169.813 5.230 -0.662 83 2HB ALA 89 2HB ALA 89 168.601 4.974 -1.916 84 3HB ALA 89 3HB ALA 89 169.279 3.595 -1.052 85 H PHE 90 H PHE 90 169.704 4.384 1.851 86 HA PHE 90 HA PHE 90 169.076 1.620 2.487 87 1HB PHE 90 2HB PHE 90 171.011 3.744 3.320 88 2HB PHE 90 1HB PHE 90 170.834 2.334 4.363 89 HD1 PHE 90 HD1 PHE 90 171.846 3.515 1.014 90 HD2 PHE 90 HD2 PHE 90 171.473 0.122 3.616 91 HE1 PHE 90 HE1 PHE 90 173.256 2.177 -0.527 92 HE2 PHE 90 HE2 PHE 90 172.880 -1.214 2.080 93 HZ PHE 90 HZ PHE 90 173.771 -0.189 0.009 94 H GLN 91 H GLN 91 169.043 4.590 4.492 95 HA GLN 91 HA GLN 91 168.023 3.612 6.858 96 1HB GLN 91 2HB GLN 91 167.606 6.194 5.367 97 2HB GLN 91 1HB GLN 91 166.935 5.961 6.981 98 1HG GLN 91 2HG GLN 91 169.270 5.273 7.724 99 2HG GLN 91 1HG GLN 91 169.845 5.849 6.160 100 1HE2 GLN 91 1HE2 GLN 91 169.778 6.876 9.232 101 2HE2 GLN 91 2HE2 GLN 91 169.502 8.537 9.013 102 H VAL 92 H VAL 92 166.022 4.294 3.954 103 HA VAL 92 HA VAL 92 163.516 4.123 5.280 104 HB VAL 92 HB VAL 92 164.379 3.444 2.442 105 1HG1 VAL 92 1HG1 VAL 92 162.213 2.373 2.925 106 2HG1 VAL 92 2HG1 VAL 92 161.993 3.741 1.834 107 3HG1 VAL 92 3HG1 VAL 92 161.585 3.902 3.542 108 1HG2 VAL 92 1HG2 VAL 92 162.865 5.881 3.361 109 2HG2 VAL 92 2HG2 VAL 92 163.868 5.680 1.924 110 3HG2 VAL 92 3HG2 VAL 92 164.621 5.814 3.514 111 H PHE 93 H PHE 93 165.681 1.620 4.028 112 HA PHE 93 HA PHE 93 163.848 -0.619 4.394 113 1HB PHE 93 2HB PHE 93 166.021 -0.337 2.956 114 2HB PHE 93 1HB PHE 93 166.862 -0.763 4.444 115 HD1 PHE 93 HD1 PHE 93 165.547 -2.087 1.516 116 HD2 PHE 93 HD2 PHE 93 165.665 -2.844 5.740 117 HE1 PHE 93 HE1 PHE 93 165.055 -4.482 1.099 118 HE2 PHE 93 HE2 PHE 93 165.173 -5.239 5.326 119 HZ PHE 93 HZ PHE 93 164.869 -6.058 3.006 120 H ASP 94 H ASP 94 166.694 0.569 6.268 121 HA ASP 94 HA ASP 94 165.974 -1.191 8.515 122 1HB ASP 94 2HB ASP 94 168.022 -0.160 9.532 123 2HB ASP 94 1HB ASP 94 168.323 -0.828 7.930 124 H LYS 95 H LYS 95 163.846 -0.219 8.900 125 HA LYS 95 HA LYS 95 163.359 2.514 9.520 126 1HB LYS 95 2HB LYS 95 162.060 -0.053 10.488 127 2HB LYS 95 1HB LYS 95 161.344 1.551 10.663 128 1HG LYS 95 2HG LYS 95 162.156 0.339 8.006 129 2HG LYS 95 1HG LYS 95 160.514 0.301 8.650 130 1HD LYS 95 2HD LYS 95 160.610 2.820 8.811 131 2HD LYS 95 1HD LYS 95 162.141 2.755 7.936 132 1HE LYS 95 2HE LYS 95 160.820 1.351 6.175 133 2HE LYS 95 1HE LYS 95 159.381 2.043 6.950 134 1HZ LYS 95 1HZ LYS 95 160.059 3.563 5.272 135 2HZ LYS 95 2HZ LYS 95 161.679 3.512 5.778 136 3HZ LYS 95 3HZ LYS 95 160.505 4.249 6.758 137 H GLU 96 H GLU 96 164.927 0.016 11.445 138 HA GLU 96 HA GLU 96 164.516 1.481 13.974 139 1HB GLU 96 2HB GLU 96 166.076 -1.008 13.208 140 2HB GLU 96 1HB GLU 96 165.800 -0.458 14.862 141 1HG GLU 96 2HG GLU 96 163.322 -0.571 14.398 142 2HG GLU 96 1HG GLU 96 163.706 -1.335 12.855 143 H SER 97 H SER 97 166.275 2.478 11.551 144 HA SER 97 HA SER 97 168.377 3.428 11.193 145 1HB SER 97 2HB SER 97 167.691 4.266 14.019 146 2HB SER 97 1HB SER 97 168.727 5.152 12.903 147 HG SER 97 HG SER 97 166.289 5.606 13.117 148 H THR 98 H THR 98 168.811 0.687 12.202 149 HA THR 98 HA THR 98 170.715 0.645 14.362 150 HB THR 98 HB THR 98 171.307 -1.575 13.296 151 HG1 THR 98 HG1 THR 98 170.898 -1.725 11.261 152 1HG2 THR 98 1HG2 THR 98 168.930 -2.476 13.449 153 2HG2 THR 98 2HG2 THR 98 168.410 -0.809 13.693 154 3HG2 THR 98 3HG2 THR 98 169.495 -1.573 14.854 155 H GLY 99 H GLY 99 171.042 1.109 10.867 156 1HA GLY 99 2HA GLY 99 172.785 2.389 9.820 157 2HA GLY 99 1HA GLY 99 173.738 2.254 11.295 158 H LYS 100 H LYS 100 172.386 -0.756 10.333 159 HA LYS 100 HA LYS 100 174.918 -1.488 8.912 160 1HB LYS 100 2HB LYS 100 173.446 -2.915 11.148 161 2HB LYS 100 1HB LYS 100 174.791 -3.619 10.249 162 1HG LYS 100 2HG LYS 100 176.111 -1.511 10.894 163 2HG LYS 100 1HG LYS 100 174.822 -1.199 12.057 164 1HD LYS 100 2HD LYS 100 175.217 -3.337 13.143 165 2HD LYS 100 1HD LYS 100 176.405 -3.777 11.916 166 1HE LYS 100 2HE LYS 100 177.798 -1.815 12.610 167 2HE LYS 100 1HE LYS 100 176.641 -1.505 13.920 168 1HZ LYS 100 1HZ LYS 100 178.501 -2.943 14.623 169 2HZ LYS 100 2HZ LYS 100 178.026 -4.095 13.469 170 3HZ LYS 100 3HZ LYS 100 176.995 -3.711 14.764 171 H VAL 101 H VAL 101 174.637 -3.214 7.340 172 HA VAL 101 HA VAL 101 171.906 -4.294 6.922 173 HB VAL 101 HB VAL 101 173.407 -2.679 4.821 174 1HG1 VAL 101 1HG1 VAL 101 170.681 -4.007 4.802 175 2HG1 VAL 101 2HG1 VAL 101 172.084 -4.501 3.854 176 3HG1 VAL 101 3HG1 VAL 101 171.303 -2.953 3.532 177 1HG2 VAL 101 1HG2 VAL 101 171.339 -1.190 5.076 178 2HG2 VAL 101 2HG2 VAL 101 172.487 -1.138 6.412 179 3HG2 VAL 101 3HG2 VAL 101 171.001 -2.074 6.562 180 H SER 102 H SER 102 171.936 -6.048 5.252 181 HA SER 102 HA SER 102 174.405 -7.661 5.398 182 1HB SER 102 2HB SER 102 172.831 -9.226 4.109 183 2HB SER 102 1HB SER 102 172.330 -8.771 5.735 184 HG SER 102 HG SER 102 170.632 -7.915 4.865 185 H VAL 103 H VAL 103 175.662 -8.242 3.538 186 HA VAL 103 HA VAL 103 176.021 -6.359 1.450 187 HB VAL 103 HB VAL 103 176.598 -9.342 1.580 188 1HG1 VAL 103 1HG1 VAL 103 176.827 -8.727 -0.716 189 2HG1 VAL 103 2HG1 VAL 103 178.460 -8.671 -0.052 190 3HG1 VAL 103 3HG1 VAL 103 177.558 -7.176 -0.303 191 1HG2 VAL 103 1HG2 VAL 103 177.925 -6.871 2.598 192 2HG2 VAL 103 2HG2 VAL 103 178.964 -8.157 1.985 193 3HG2 VAL 103 3HG2 VAL 103 177.850 -8.480 3.315 194 H GLY 104 H GLY 104 174.021 -9.342 1.485 195 1HA GLY 104 2HA GLY 104 173.283 -9.358 -1.245 196 2HA GLY 104 1HA GLY 104 172.298 -10.022 0.059 197 H ASP 105 H ASP 105 171.843 -7.627 1.507 198 HA ASP 105 HA ASP 105 169.723 -6.429 -0.130 199 1HB ASP 105 2HB ASP 105 169.597 -7.056 2.322 200 2HB ASP 105 1HB ASP 105 170.706 -5.725 2.653 201 H LEU 106 H LEU 106 172.765 -5.358 1.387 202 HA LEU 106 HA LEU 106 172.642 -2.603 0.705 203 1HB LEU 106 2HB LEU 106 174.223 -3.653 2.286 204 2HB LEU 106 1HB LEU 106 175.002 -4.499 0.952 205 HG LEU 106 HG LEU 106 174.957 -1.772 0.195 206 1HD1 LEU 106 1HD1 LEU 106 174.629 -1.728 2.890 207 2HD1 LEU 106 2HD1 LEU 106 175.512 -0.488 2.001 208 3HD1 LEU 106 3HD1 LEU 106 176.388 -1.797 2.794 209 1HD2 LEU 106 1HD2 LEU 106 177.392 -2.973 1.453 210 2HD2 LEU 106 2HD2 LEU 106 177.230 -2.106 -0.075 211 3HD2 LEU 106 3HD2 LEU 106 176.705 -3.784 0.045 212 H ARG 107 H ARG 107 174.231 -5.302 -1.058 213 HA ARG 107 HA ARG 107 175.049 -3.696 -3.294 214 1HB ARG 107 2HB ARG 107 175.797 -6.047 -2.442 215 2HB ARG 107 1HB ARG 107 174.445 -6.653 -3.399 216 1HG ARG 107 2HG ARG 107 175.425 -5.301 -5.350 217 2HG ARG 107 1HG ARG 107 176.881 -5.142 -4.364 218 1HD ARG 107 2HD ARG 107 177.306 -7.086 -5.650 219 2HD ARG 107 1HD ARG 107 176.695 -7.748 -4.120 220 HE ARG 107 HE ARG 107 174.382 -7.374 -5.531 221 1HH1 ARG 107 1HH2 ARG 107 176.487 -9.841 -5.248 222 2HH1 ARG 107 2HH2 ARG 107 176.238 -10.533 -6.816 223 1HH2 ARG 107 2HH1 ARG 107 174.451 -7.818 -8.023 224 2HH2 ARG 107 1HH1 ARG 107 175.086 -9.387 -8.388 225 H TYR 108 H TYR 108 172.046 -5.438 -2.592 226 HA TYR 108 HA TYR 108 171.020 -5.360 -5.289 227 1HB TYR 108 2HB TYR 108 170.276 -6.826 -3.353 228 2HB TYR 108 1HB TYR 108 169.482 -5.405 -2.672 229 HD1 TYR 108 HD1 TYR 108 169.482 -7.835 -5.449 230 HD2 TYR 108 HD2 TYR 108 167.493 -4.452 -3.702 231 HE1 TYR 108 HE1 TYR 108 167.525 -8.226 -6.921 232 HE2 TYR 108 HE2 TYR 108 165.536 -4.843 -5.174 233 HH TYR 108 HH TYR 108 164.551 -6.934 -6.404 234 H MET 109 H MET 109 170.430 -3.215 -2.468 235 HA MET 109 HA MET 109 168.667 -1.465 -3.860 236 1HB MET 109 2HB MET 109 170.241 -1.524 -1.358 237 2HB MET 109 1HB MET 109 169.801 0.089 -1.917 238 1HG MET 109 2HG MET 109 167.479 -1.490 -2.256 239 2HG MET 109 1HG MET 109 168.141 -1.945 -0.688 240 1HE MET 109 1HE MET 109 168.751 1.767 -2.206 241 2HE MET 109 2HE MET 109 167.062 2.263 -2.145 242 3HE MET 109 3HE MET 109 167.523 0.848 -3.086 243 H LEU 110 H LEU 110 172.212 -1.356 -3.377 244 HA LEU 110 HA LEU 110 172.732 1.201 -4.502 245 1HB LEU 110 2HB LEU 110 174.143 -1.251 -3.832 246 2HB LEU 110 1HB LEU 110 174.774 -0.589 -5.338 247 HG LEU 110 HG LEU 110 174.623 1.688 -3.901 248 1HD1 LEU 110 1HD1 LEU 110 175.583 -0.204 -1.793 249 2HD1 LEU 110 2HD1 LEU 110 173.844 0.033 -1.971 250 3HD1 LEU 110 3HD1 LEU 110 174.890 1.409 -1.621 251 1HD2 LEU 110 1HD2 LEU 110 177.040 1.329 -3.386 252 2HD2 LEU 110 2HD2 LEU 110 176.629 0.865 -5.037 253 3HD2 LEU 110 3HD2 LEU 110 176.849 -0.375 -3.802 254 H THR 111 H THR 111 172.438 -1.980 -6.050 255 HA THR 111 HA THR 111 172.899 -1.199 -8.761 256 HB THR 111 HB THR 111 171.003 -3.330 -7.729 257 HG1 THR 111 HG1 THR 111 173.822 -3.334 -8.027 258 1HG2 THR 111 1HG2 THR 111 172.715 -3.111 -10.220 259 2HG2 THR 111 2HG2 THR 111 170.955 -3.012 -10.154 260 3HG2 THR 111 3HG2 THR 111 171.769 -4.528 -9.768 261 H GLY 112 H GLY 112 170.100 -0.899 -6.688 262 1HA GLY 112 2HA GLY 112 168.301 -0.120 -8.889 263 2HA GLY 112 1HA GLY 112 167.862 -0.253 -7.188 264 H LEU 113 H LEU 113 170.554 1.387 -6.777 265 HA LEU 113 HA LEU 113 169.174 3.996 -6.738 266 1HB LEU 113 2HB LEU 113 170.713 2.551 -4.986 267 2HB LEU 113 1HB LEU 113 171.897 3.679 -5.646 268 HG LEU 113 HG LEU 113 169.205 4.475 -4.491 269 1HD1 LEU 113 1HD1 LEU 113 170.545 3.713 -2.672 270 2HD1 LEU 113 2HD1 LEU 113 170.723 5.468 -2.684 271 3HD1 LEU 113 3HD1 LEU 113 172.001 4.447 -3.342 272 1HD2 LEU 113 1HD2 LEU 113 170.334 6.757 -4.530 273 2HD2 LEU 113 2HD2 LEU 113 169.926 6.095 -6.113 274 3HD2 LEU 113 3HD2 LEU 113 171.590 6.029 -5.530 275 H GLY 114 H GLY 114 171.011 2.534 -9.091 276 1HA GLY 114 2HA GLY 114 171.825 3.832 -10.998 277 2HA GLY 114 1HA GLY 114 172.231 5.140 -9.885 278 H GLU 115 H GLU 115 172.916 1.797 -9.246 279 HA GLU 115 HA GLU 115 175.875 2.355 -9.465 280 1HB GLU 115 2HB GLU 115 174.473 0.313 -7.734 281 2HB GLU 115 1HB GLU 115 176.172 0.749 -7.683 282 1HG GLU 115 2HG GLU 115 173.898 2.667 -7.088 283 2HG GLU 115 1HG GLU 115 174.867 1.846 -5.864 284 H LYS 116 H LYS 116 176.792 1.254 -11.174 285 HA LYS 116 HA LYS 116 175.622 -1.399 -11.862 286 1HB LYS 116 2HB LYS 116 176.781 0.709 -13.737 287 2HB LYS 116 1HB LYS 116 176.149 -0.857 -14.246 288 1HG LYS 116 2HG LYS 116 173.927 -0.257 -13.373 289 2HG LYS 116 1HG LYS 116 174.551 1.304 -12.838 290 1HD LYS 116 2HD LYS 116 175.173 1.813 -15.208 291 2HD LYS 116 1HD LYS 116 174.397 0.306 -15.697 292 1HE LYS 116 2HE LYS 116 172.367 1.314 -15.692 293 2HE LYS 116 1HE LYS 116 172.592 1.828 -14.008 294 1HZ LYS 116 1HZ LYS 116 174.003 3.640 -14.802 295 2HZ LYS 116 2HZ LYS 116 172.438 3.751 -15.455 296 3HZ LYS 116 3HZ LYS 116 173.720 3.173 -16.408 297 H LEU 117 H LEU 117 177.365 -1.654 -10.079 298 HA LEU 117 HA LEU 117 180.114 -1.918 -11.159 299 1HB LEU 117 2HB LEU 117 178.831 -2.451 -8.453 300 2HB LEU 117 1HB LEU 117 180.561 -2.535 -8.786 301 HG LEU 117 HG LEU 117 178.949 -0.045 -9.351 302 1HD1 LEU 117 1HD1 LEU 117 179.838 0.809 -7.178 303 2HD1 LEU 117 2HD1 LEU 117 180.437 -0.811 -6.820 304 3HD1 LEU 117 3HD1 LEU 117 178.702 -0.524 -6.968 305 1HD2 LEU 117 1HD2 LEU 117 181.887 -0.338 -8.702 306 2HD2 LEU 117 2HD2 LEU 117 181.075 1.012 -9.494 307 3HD2 LEU 117 3HD2 LEU 117 181.282 -0.517 -10.348 308 H THR 118 H THR 118 181.091 -4.033 -11.349 309 HA THR 118 HA THR 118 179.110 -6.284 -11.459 310 HB THR 118 HB THR 118 180.755 -7.211 -13.113 311 HG1 THR 118 HG1 THR 118 182.638 -6.283 -12.566 312 1HG2 THR 118 1HG2 THR 118 180.029 -4.378 -13.859 313 2HG2 THR 118 2HG2 THR 118 178.805 -5.636 -13.690 314 3HG2 THR 118 3HG2 THR 118 180.080 -5.803 -14.897 315 H ASP 119 H ASP 119 179.620 -8.206 -10.272 316 HA ASP 119 HA ASP 119 181.019 -8.285 -7.952 317 1HB ASP 119 2HB ASP 119 179.624 -10.059 -9.120 318 2HB ASP 119 1HB ASP 119 181.098 -10.546 -9.957 319 H ALA 120 H ALA 120 182.554 -8.446 -11.131 320 HA ALA 120 HA ALA 120 185.180 -9.353 -10.354 321 1HB ALA 120 1HB ALA 120 184.207 -9.104 -12.676 322 2HB ALA 120 2HB ALA 120 185.809 -8.391 -12.492 323 3HB ALA 120 3HB ALA 120 184.379 -7.359 -12.497 324 H GLU 121 H GLU 121 183.872 -6.045 -10.828 325 HA GLU 121 HA GLU 121 186.202 -4.758 -9.628 326 1HB GLU 121 2HB GLU 121 183.474 -3.948 -10.627 327 2HB GLU 121 1HB GLU 121 184.501 -2.783 -9.793 328 1HG GLU 121 2HG GLU 121 185.821 -4.372 -11.925 329 2HG GLU 121 1HG GLU 121 184.615 -3.205 -12.468 330 H VAL 122 H VAL 122 182.846 -5.415 -8.604 331 HA VAL 122 HA VAL 122 182.913 -4.115 -6.050 332 HB VAL 122 HB VAL 122 181.415 -6.592 -6.980 333 1HG1 VAL 122 1HG1 VAL 122 181.072 -6.505 -4.655 334 2HG1 VAL 122 2HG1 VAL 122 179.713 -5.567 -5.277 335 3HG1 VAL 122 3HG1 VAL 122 181.127 -4.743 -4.616 336 1HG2 VAL 122 1HG2 VAL 122 179.594 -4.897 -7.425 337 2HG2 VAL 122 2HG2 VAL 122 180.990 -4.749 -8.492 338 3HG2 VAL 122 3HG2 VAL 122 180.788 -3.631 -7.144 339 H ASP 123 H ASP 123 183.993 -7.375 -7.020 340 HA ASP 123 HA ASP 123 184.393 -8.371 -4.361 341 1HB ASP 123 2HB ASP 123 184.346 -9.757 -6.421 342 2HB ASP 123 1HB ASP 123 185.845 -9.002 -6.962 343 H GLU 124 H GLU 124 186.443 -6.480 -6.541 344 HA GLU 124 HA GLU 124 188.890 -6.538 -5.059 345 1HB GLU 124 2HB GLU 124 187.586 -4.436 -6.816 346 2HB GLU 124 1HB GLU 124 189.260 -4.351 -6.272 347 1HG GLU 124 2HG GLU 124 188.138 -6.731 -7.765 348 2HG GLU 124 1HG GLU 124 188.926 -5.377 -8.573 349 H LEU 125 H LEU 125 186.121 -4.272 -4.897 350 HA LEU 125 HA LEU 125 187.114 -2.551 -2.848 351 1HB LEU 125 2HB LEU 125 184.464 -3.377 -3.975 352 2HB LEU 125 1HB LEU 125 184.478 -2.405 -2.506 353 HG LEU 125 HG LEU 125 185.854 -0.698 -3.635 354 1HD1 LEU 125 1HD1 LEU 125 186.223 -0.882 -6.089 355 2HD1 LEU 125 2HD1 LEU 125 185.553 -2.513 -6.050 356 3HD1 LEU 125 3HD1 LEU 125 187.059 -2.158 -5.203 357 1HD2 LEU 125 1HD2 LEU 125 183.315 -0.730 -3.771 358 2HD2 LEU 125 2HD2 LEU 125 183.494 -1.432 -5.379 359 3HD2 LEU 125 3HD2 LEU 125 184.122 0.182 -5.046 360 H LEU 126 H LEU 126 185.000 -5.419 -2.663 361 HA LEU 126 HA LEU 126 184.696 -5.527 0.186 362 1HB LEU 126 2HB LEU 126 184.512 -7.508 -2.083 363 2HB LEU 126 1HB LEU 126 184.151 -7.965 -0.419 364 HG LEU 126 HG LEU 126 182.866 -5.546 -1.684 365 1HD1 LEU 126 1HD1 LEU 126 180.909 -7.068 -2.147 366 2HD1 LEU 126 2HD1 LEU 126 181.969 -8.439 -1.813 367 3HD1 LEU 126 3HD1 LEU 126 182.312 -7.370 -3.173 368 1HD2 LEU 126 1HD2 LEU 126 182.902 -6.395 0.887 369 2HD2 LEU 126 2HD2 LEU 126 181.516 -7.314 0.296 370 3HD2 LEU 126 3HD2 LEU 126 181.523 -5.554 0.179 371 H LYS 127 H LYS 127 187.314 -6.500 -1.923 372 HA LYS 127 HA LYS 127 188.547 -8.574 -0.498 373 1HB LYS 127 2HB LYS 127 189.119 -7.632 -2.747 374 2HB LYS 127 1HB LYS 127 189.901 -6.276 -1.933 375 1HG LYS 127 2HG LYS 127 191.422 -7.835 -0.780 376 2HG LYS 127 1HG LYS 127 190.638 -9.198 -1.579 377 1HD LYS 127 2HD LYS 127 191.290 -8.278 -3.780 378 2HD LYS 127 1HD LYS 127 192.093 -6.930 -2.973 379 1HE LYS 127 2HE LYS 127 193.908 -8.200 -2.410 380 2HE LYS 127 1HE LYS 127 192.907 -9.606 -1.997 381 1HZ LYS 127 1HZ LYS 127 194.134 -10.061 -4.008 382 2HZ LYS 127 2HZ LYS 127 193.547 -8.644 -4.735 383 3HZ LYS 127 3HZ LYS 127 192.486 -9.922 -4.380 384 H GLY 128 H GLY 128 188.363 -5.163 0.302 385 1HA GLY 128 2HA GLY 128 190.319 -5.575 2.523 386 2HA GLY 128 1HA GLY 128 190.048 -4.018 1.743 387 H VAL 129 H VAL 129 187.009 -4.972 1.762 388 HA VAL 129 HA VAL 129 186.271 -3.440 4.103 389 HB VAL 129 HB VAL 129 184.700 -5.342 2.321 390 1HG1 VAL 129 1HG1 VAL 129 183.533 -4.868 4.439 391 2HG1 VAL 129 2HG1 VAL 129 182.730 -4.054 3.097 392 3HG1 VAL 129 3HG1 VAL 129 183.768 -3.139 4.190 393 1HG2 VAL 129 1HG2 VAL 129 184.537 -2.366 2.118 394 2HG2 VAL 129 2HG2 VAL 129 184.378 -3.586 0.856 395 3HG2 VAL 129 3HG2 VAL 129 185.974 -3.148 1.461 396 H GLU 130 H GLU 130 185.885 -4.069 6.111 397 HA GLU 130 HA GLU 130 186.420 -6.890 6.898 398 1HB GLU 130 2HB GLU 130 187.564 -4.919 7.922 399 2HB GLU 130 1HB GLU 130 186.000 -4.366 8.521 400 1HG GLU 130 2HG GLU 130 185.735 -6.477 9.778 401 2HG GLU 130 1HG GLU 130 187.307 -7.021 9.190 402 H VAL 131 H VAL 131 184.506 -8.025 6.510 403 HA VAL 131 HA VAL 131 181.895 -7.033 7.454 404 HB VAL 131 HB VAL 131 182.155 -8.385 5.397 405 1HG1 VAL 131 1HG1 VAL 131 183.672 -10.122 7.250 406 2HG1 VAL 131 2HG1 VAL 131 183.836 -9.918 5.508 407 3HG1 VAL 131 3HG1 VAL 131 182.586 -10.979 6.157 408 1HG2 VAL 131 1HG2 VAL 131 180.043 -8.584 6.553 409 2HG2 VAL 131 2HG2 VAL 131 180.720 -9.760 7.679 410 3HG2 VAL 131 3HG2 VAL 131 180.502 -10.187 5.982 411 H ASP 132 H ASP 132 180.698 -8.149 9.174 412 HA ASP 132 HA ASP 132 182.501 -9.106 11.329 413 1HB ASP 132 2HB ASP 132 179.590 -8.265 11.226 414 2HB ASP 132 1HB ASP 132 180.456 -8.686 12.703 415 H SER 133 H SER 133 181.191 -10.735 12.826 416 HA SER 133 HA SER 133 181.021 -13.250 11.404 417 1HB SER 133 2HB SER 133 180.717 -12.221 14.183 418 2HB SER 133 1HB SER 133 180.042 -13.809 13.839 419 HG SER 133 HG SER 133 182.342 -13.674 14.502 420 H ASN 134 H ASN 134 178.704 -10.804 11.537 421 HA ASN 134 HA ASN 134 176.414 -12.732 11.489 422 1HB ASN 134 2HB ASN 134 176.670 -10.615 13.050 423 2HB ASN 134 1HB ASN 134 176.198 -9.734 11.598 424 1HD2 ASN 134 1HD2 ASN 134 174.133 -9.183 12.731 425 2HD2 ASN 134 2HD2 ASN 134 172.892 -10.339 12.823 426 H GLY 135 H GLY 135 178.411 -10.802 9.462 427 1HA GLY 135 2HA GLY 135 178.320 -10.802 7.080 428 2HA GLY 135 1HA GLY 135 176.672 -11.424 7.166 429 H GLU 136 H GLU 136 177.645 -8.666 9.081 430 HA GLU 136 HA GLU 136 175.857 -6.954 7.393 431 1HB GLU 136 2HB GLU 136 176.586 -6.983 10.332 432 2HB GLU 136 1HB GLU 136 175.678 -5.666 9.589 433 1HG GLU 136 2HG GLU 136 173.997 -7.342 8.789 434 2HG GLU 136 1HG GLU 136 174.867 -8.585 9.689 435 H ILE 137 H ILE 137 176.656 -5.098 6.543 436 HA ILE 137 HA ILE 137 179.380 -4.179 7.399 437 HB ILE 137 HB ILE 137 178.178 -4.498 4.632 438 1HG1 ILE 137 2HG1 ILE 137 180.554 -5.715 4.516 439 2HG1 ILE 137 1HG1 ILE 137 180.295 -5.849 6.254 440 1HG2 ILE 137 1HG2 ILE 137 179.367 -2.542 4.270 441 2HG2 ILE 137 2HG2 ILE 137 180.667 -3.717 4.070 442 3HG2 ILE 137 3HG2 ILE 137 180.485 -2.855 5.598 443 1HD1 ILE 137 1HD1 ILE 137 178.582 -7.337 6.016 444 2HD1 ILE 137 2HD1 ILE 137 179.341 -7.646 4.458 445 3HD1 ILE 137 3HD1 ILE 137 177.965 -6.548 4.565 446 H ASP 138 H ASP 138 179.573 -1.980 7.635 447 HA ASP 138 HA ASP 138 177.197 -0.406 7.995 448 1HB ASP 138 2HB ASP 138 178.885 1.424 8.394 449 2HB ASP 138 1HB ASP 138 179.185 -0.043 9.317 450 H TYR 139 H TYR 139 175.998 0.133 6.149 451 HA TYR 139 HA TYR 139 177.014 0.451 3.511 452 1HB TYR 139 2HB TYR 139 174.800 1.346 3.044 453 2HB TYR 139 1HB TYR 139 174.699 -0.051 4.107 454 HD1 TYR 139 HD1 TYR 139 174.354 3.616 3.885 455 HD2 TYR 139 HD2 TYR 139 173.981 0.167 6.412 456 HE1 TYR 139 HE1 TYR 139 173.040 4.950 5.513 457 HE2 TYR 139 HE2 TYR 139 172.673 1.496 8.040 458 HH TYR 139 HH TYR 139 172.602 4.763 8.111 459 H LYS 140 H LYS 140 176.487 2.879 6.083 460 HA LYS 140 HA LYS 140 176.749 5.245 4.552 461 1HB LYS 140 2HB LYS 140 177.629 4.570 7.377 462 2HB LYS 140 1HB LYS 140 177.485 6.211 6.750 463 1HG LYS 140 2HG LYS 140 175.071 5.654 6.176 464 2HG LYS 140 1HG LYS 140 175.280 4.175 7.114 465 1HD LYS 140 2HD LYS 140 174.361 5.766 8.635 466 2HD LYS 140 1HD LYS 140 176.078 5.667 9.030 467 1HE LYS 140 2HE LYS 140 175.941 7.963 8.877 468 2HE LYS 140 1HE LYS 140 176.122 7.639 7.142 469 1HZ LYS 140 1HZ LYS 140 173.581 7.914 8.654 470 2HZ LYS 140 2HZ LYS 140 173.671 7.362 7.050 471 3HZ LYS 140 3HZ LYS 140 174.159 8.942 7.436 472 H LYS 141 H LYS 141 179.305 3.612 6.429 473 HA LYS 141 HA LYS 141 181.482 5.212 5.575 474 1HB LYS 141 2HB LYS 141 181.259 2.352 6.523 475 2HB LYS 141 1HB LYS 141 182.804 3.170 6.316 476 1HG LYS 141 2HG LYS 141 180.587 4.358 7.988 477 2HG LYS 141 1HG LYS 141 181.771 3.242 8.669 478 1HD LYS 141 2HD LYS 141 183.599 4.716 8.045 479 2HD LYS 141 1HD LYS 141 182.490 5.792 7.195 480 1HE LYS 141 2HE LYS 141 181.278 6.112 9.420 481 2HE LYS 141 1HE LYS 141 182.661 5.297 10.180 482 1HZ LYS 141 1HZ LYS 141 184.148 6.886 9.240 483 2HZ LYS 141 2HZ LYS 141 182.911 7.754 10.016 484 3HZ LYS 141 3HZ LYS 141 182.914 7.601 8.324 485 H PHE 142 H PHE 142 180.170 2.219 4.140 486 HA PHE 142 HA PHE 142 182.285 1.934 2.218 487 1HB PHE 142 2HB PHE 142 180.649 0.174 3.054 488 2HB PHE 142 1HB PHE 142 179.418 0.934 2.046 489 HD1 PHE 142 HD1 PHE 142 179.009 -0.340 0.141 490 HD2 PHE 142 HD2 PHE 142 183.052 0.120 1.518 491 HE1 PHE 142 HE1 PHE 142 179.824 -1.634 -1.815 492 HE2 PHE 142 HE2 PHE 142 183.865 -1.170 -0.435 493 HZ PHE 142 HZ PHE 142 182.253 -2.048 -2.101 494 H ILE 143 H ILE 143 179.283 3.753 2.288 495 HA ILE 143 HA ILE 143 179.334 4.403 -0.593 496 HB ILE 143 HB ILE 143 177.724 5.343 1.810 497 1HG1 ILE 143 2HG1 ILE 143 176.786 3.609 -0.474 498 2HG1 ILE 143 1HG1 ILE 143 177.570 2.909 0.943 499 1HG2 ILE 143 1HG2 ILE 143 177.459 5.935 -1.145 500 2HG2 ILE 143 2HG2 ILE 143 177.594 7.088 0.182 501 3HG2 ILE 143 3HG2 ILE 143 176.123 6.136 -0.011 502 1HD1 ILE 143 1HD1 ILE 143 175.856 4.276 2.319 503 2HD1 ILE 143 2HD1 ILE 143 175.270 2.840 1.480 504 3HD1 ILE 143 3HD1 ILE 143 174.976 4.440 0.799 505 H GLU 144 H GLU 144 179.808 6.195 2.474 506 HA GLU 144 HA GLU 144 180.597 8.685 1.306 507 1HB GLU 144 2HB GLU 144 181.240 7.291 3.922 508 2HB GLU 144 1HB GLU 144 181.670 8.971 3.594 509 1HG GLU 144 2HG GLU 144 179.294 9.503 3.190 510 2HG GLU 144 1HG GLU 144 178.862 7.825 3.522 511 H ASP 145 H ASP 145 182.384 5.690 1.820 512 HA ASP 145 HA ASP 145 184.955 7.015 1.228 513 1HB ASP 145 2HB ASP 145 184.565 5.114 2.921 514 2HB ASP 145 1HB ASP 145 184.376 4.052 1.525 515 H VAL 146 H VAL 146 182.406 5.618 -0.580 516 HA VAL 146 HA VAL 146 184.195 4.979 -2.878 517 HB VAL 146 HB VAL 146 181.258 4.560 -2.215 518 1HG1 VAL 146 1HG1 VAL 146 181.006 3.454 -4.397 519 2HG1 VAL 146 2HG1 VAL 146 182.670 3.862 -4.813 520 3HG1 VAL 146 3HG1 VAL 146 181.469 5.140 -4.629 521 1HG2 VAL 146 1HG2 VAL 146 183.315 3.079 -1.442 522 2HG2 VAL 146 2HG2 VAL 146 183.193 2.442 -3.082 523 3HG2 VAL 146 3HG2 VAL 146 181.818 2.319 -1.983 524 H LEU 147 H LEU 147 181.591 7.116 -1.816 525 HA LEU 147 HA LEU 147 181.166 8.687 -4.177 526 1HB LEU 147 2HB LEU 147 180.201 8.555 -1.624 527 2HB LEU 147 1HB LEU 147 181.157 10.032 -1.540 528 HG LEU 147 HG LEU 147 179.985 10.753 -3.693 529 1HD1 LEU 147 1HD1 LEU 147 179.041 8.766 -4.538 530 2HD1 LEU 147 2HD1 LEU 147 177.656 9.609 -3.844 531 3HD1 LEU 147 3HD1 LEU 147 178.417 8.286 -2.960 532 1HD2 LEU 147 1HD2 LEU 147 179.376 11.208 -1.102 533 2HD2 LEU 147 2HD2 LEU 147 177.882 10.422 -1.610 534 3HD2 LEU 147 3HD2 LEU 147 178.433 11.884 -2.430 535 H ARG 148 H ARG 148 183.758 8.727 -1.833 536 HA ARG 148 HA ARG 148 184.878 11.284 -2.175 537 1HB ARG 148 2HB ARG 148 185.939 8.523 -1.652 538 2HB ARG 148 1HB ARG 148 187.071 9.866 -1.827 539 1HG ARG 148 2HG ARG 148 185.976 11.089 -0.034 540 2HG ARG 148 1HG ARG 148 184.720 9.858 0.085 541 1HD ARG 148 2HD ARG 148 186.376 9.482 1.855 542 2HD ARG 148 1HD ARG 148 186.517 8.178 0.659 543 HE ARG 148 HE ARG 148 188.329 10.559 0.760 544 1HH1 ARG 148 2HH1 ARG 148 188.467 7.329 1.240 545 2HH1 ARG 148 1HH1 ARG 148 189.621 6.972 -0.003 546 1HH2 ARG 148 1HH2 ARG 148 189.426 10.113 -1.456 547 2HH2 ARG 148 2HH2 ARG 148 190.163 8.549 -1.529 548 H GLN 149 HN GLN 149 186.139 12.242 -3.789 549 HA GLN 149 HA GLN 149 187.327 10.672 -5.966 550 1HB GLN 149 2HB GLN 149 185.917 11.766 -7.704 551 2HB GLN 149 1HB GLN 149 184.959 10.769 -6.611 552 1HG GLN 149 2HG GLN 149 183.727 12.547 -5.981 553 2HG GLN 149 1HG GLN 149 185.176 13.445 -5.533 554 1HE2 GLN 149 1HE2 GLN 149 184.543 15.466 -6.488 555 2HE2 GLN 149 2HE2 GLN 149 184.354 15.667 -8.163 Start of MODEL 11 1 1H LYS 80 H LYS 80 175.226 16.506 -10.362 2 HA LYS 80 HA LYS 80 177.460 15.815 -8.620 3 1HB LYS 80 2HB LYS 80 176.249 18.599 -8.547 4 2HB LYS 80 1HB LYS 80 177.384 17.965 -7.356 5 1HG LYS 80 2HG LYS 80 179.068 17.636 -9.128 6 2HG LYS 80 1HG LYS 80 177.936 18.271 -10.323 7 1HD LYS 80 2HD LYS 80 179.063 20.221 -9.847 8 2HD LYS 80 1HD LYS 80 177.844 20.300 -8.575 9 1HE LYS 80 2HE LYS 80 179.891 20.670 -7.423 10 2HE LYS 80 1HE LYS 80 179.571 18.944 -7.154 11 1HZ LYS 80 1HZ LYS 80 181.153 20.003 -9.434 12 2HZ LYS 80 2HZ LYS 80 180.948 18.374 -8.999 13 3HZ LYS 80 3HZ LYS 80 181.846 19.416 -8.003 14 H ALA 81 H ALA 81 176.492 14.487 -7.203 15 HA ALA 81 HA ALA 81 173.633 14.935 -6.390 16 1HB ALA 81 1HB ALA 81 174.386 12.851 -7.622 17 2HB ALA 81 2HB ALA 81 173.615 12.549 -6.063 18 3HB ALA 81 3HB ALA 81 175.371 12.461 -6.211 19 H LYS 82 H LYS 82 173.141 14.467 -4.083 20 HA LYS 82 HA LYS 82 175.453 15.140 -2.290 21 1HB LYS 82 2HB LYS 82 172.454 15.549 -2.144 22 2HB LYS 82 1HB LYS 82 173.546 15.902 -0.804 23 1HG LYS 82 2HG LYS 82 174.802 17.473 -2.234 24 2HG LYS 82 1HG LYS 82 173.710 17.124 -3.575 25 1HD LYS 82 2HD LYS 82 171.806 17.962 -2.247 26 2HD LYS 82 1HD LYS 82 172.897 18.315 -0.906 27 1HE LYS 82 2HE LYS 82 174.176 19.621 -2.934 28 2HE LYS 82 1HE LYS 82 172.482 19.811 -3.428 29 1HZ LYS 82 1HZ LYS 82 173.471 20.304 -0.671 30 2HZ LYS 82 2HZ LYS 82 171.916 20.629 -1.276 31 3HZ LYS 82 3HZ LYS 82 173.250 21.529 -1.824 32 H THR 83 H THR 83 175.489 14.166 -0.229 33 HA THR 83 HA THR 83 175.394 11.348 -0.112 34 HB THR 83 HB THR 83 174.866 13.138 2.271 35 HG1 THR 83 HG1 THR 83 176.813 13.954 2.089 36 1HG2 THR 83 1HG2 THR 83 175.333 11.232 3.370 37 2HG2 THR 83 2HG2 THR 83 176.964 11.301 2.708 38 3HG2 THR 83 3HG2 THR 83 175.709 10.400 1.861 39 H GLU 84 H GLU 84 172.868 13.696 0.498 40 HA GLU 84 HA GLU 84 170.880 12.247 1.837 41 1HB GLU 84 2HB GLU 84 170.787 14.259 -0.433 42 2HB GLU 84 1HB GLU 84 169.347 13.763 0.468 43 1HG GLU 84 2HG GLU 84 170.395 14.510 2.573 44 2HG GLU 84 1HG GLU 84 171.837 15.001 1.682 45 H ASP 85 H ASP 85 171.713 12.128 -1.615 46 HA ASP 85 HA ASP 85 169.498 10.585 -2.554 47 1HB ASP 85 2HB ASP 85 171.178 11.767 -3.951 48 2HB ASP 85 1HB ASP 85 172.404 10.607 -3.444 49 H PHE 86 H PHE 86 172.733 9.512 -1.474 50 HA PHE 86 HA PHE 86 172.054 6.676 -1.577 51 1HB PHE 86 2HB PHE 86 174.332 8.438 -0.872 52 2HB PHE 86 1HB PHE 86 174.303 6.877 -0.051 53 HD1 PHE 86 HD1 PHE 86 175.726 8.412 -2.737 54 HD2 PHE 86 HD2 PHE 86 173.323 4.958 -1.870 55 HE1 PHE 86 HE1 PHE 86 176.567 7.310 -4.793 56 HE2 PHE 86 HE2 PHE 86 174.164 3.857 -3.927 57 HZ PHE 86 HZ PHE 86 175.786 5.033 -5.389 58 H VAL 87 H VAL 87 172.368 9.100 1.039 59 HA VAL 87 HA VAL 87 172.126 7.355 3.235 60 HB VAL 87 HB VAL 87 171.201 10.222 2.865 61 1HG1 VAL 87 1HG1 VAL 87 170.287 9.087 4.919 62 2HG1 VAL 87 2HG1 VAL 87 171.369 10.432 5.278 63 3HG1 VAL 87 3HG1 VAL 87 171.948 8.773 5.424 64 1HG2 VAL 87 1HG2 VAL 87 173.717 9.240 2.533 65 2HG2 VAL 87 2HG2 VAL 87 173.724 9.524 4.273 66 3HG2 VAL 87 3HG2 VAL 87 173.384 10.853 3.165 67 H LYS 88 H LYS 88 169.508 9.356 1.775 68 HA LYS 88 HA LYS 88 167.320 8.376 3.255 69 1HB LYS 88 2HB LYS 88 167.365 10.319 1.699 70 2HB LYS 88 1HB LYS 88 167.419 9.201 0.336 71 1HG LYS 88 2HG LYS 88 165.117 9.845 0.627 72 2HG LYS 88 1HG LYS 88 165.269 8.186 1.206 73 1HD LYS 88 2HD LYS 88 165.361 8.930 3.508 74 2HD LYS 88 1HD LYS 88 165.428 10.620 3.005 75 1HE LYS 88 2HE LYS 88 163.170 10.439 2.028 76 2HE LYS 88 1HE LYS 88 163.097 8.732 2.509 77 1HZ LYS 88 1HZ LYS 88 163.396 11.087 4.293 78 2HZ LYS 88 2HZ LYS 88 163.602 9.482 4.811 79 3HZ LYS 88 3HZ LYS 88 162.090 10.005 4.237 80 H ALA 89 H ALA 89 168.921 6.973 0.454 81 HA ALA 89 HA ALA 89 166.950 5.006 -0.254 82 1HB ALA 89 1HB ALA 89 168.990 5.868 -1.528 83 2HB ALA 89 2HB ALA 89 168.715 4.127 -1.597 84 3HB ALA 89 3HB ALA 89 169.952 4.782 -0.524 85 H PHE 90 H PHE 90 169.818 4.741 1.921 86 HA PHE 90 HA PHE 90 169.212 1.950 2.518 87 1HB PHE 90 2HB PHE 90 171.232 4.029 3.236 88 2HB PHE 90 1HB PHE 90 171.067 2.649 4.323 89 HD1 PHE 90 HD1 PHE 90 171.967 3.726 0.909 90 HD2 PHE 90 HD2 PHE 90 171.606 0.394 3.596 91 HE1 PHE 90 HE1 PHE 90 173.268 2.317 -0.661 92 HE2 PHE 90 HE2 PHE 90 172.909 -1.013 2.026 93 HZ PHE 90 HZ PHE 90 173.738 -0.052 -0.103 94 H GLN 91 H GLN 91 169.368 4.893 4.500 95 HA GLN 91 HA GLN 91 168.427 3.979 6.917 96 1HB GLN 91 2HB GLN 91 167.717 6.318 7.265 97 2HB GLN 91 1HB GLN 91 169.262 6.231 6.436 98 1HG GLN 91 2HG GLN 91 168.225 7.743 5.057 99 2HG GLN 91 1HG GLN 91 167.644 6.266 4.293 100 1HE2 GLN 91 1HE2 GLN 91 166.668 8.142 7.229 101 2HE2 GLN 91 2HE2 GLN 91 165.018 8.174 6.834 102 H VAL 92 H VAL 92 166.329 4.827 4.126 103 HA VAL 92 HA VAL 92 163.869 4.757 5.528 104 HB VAL 92 HB VAL 92 164.184 5.595 3.224 105 1HG1 VAL 92 1HG1 VAL 92 164.819 4.260 1.424 106 2HG1 VAL 92 2HG1 VAL 92 164.260 2.776 2.197 107 3HG1 VAL 92 3HG1 VAL 92 165.758 3.538 2.730 108 1HG2 VAL 92 1HG2 VAL 92 162.082 4.991 2.479 109 2HG2 VAL 92 2HG2 VAL 92 161.978 4.415 4.142 110 3HG2 VAL 92 3HG2 VAL 92 162.333 3.283 2.837 111 H PHE 93 H PHE 93 165.836 2.161 4.161 112 HA PHE 93 HA PHE 93 163.921 0.013 4.606 113 1HB PHE 93 2HB PHE 93 166.092 0.233 3.109 114 2HB PHE 93 1HB PHE 93 166.911 -0.332 4.564 115 HD1 PHE 93 HD1 PHE 93 165.859 -2.441 5.729 116 HD2 PHE 93 HD2 PHE 93 165.158 -1.329 1.639 117 HE1 PHE 93 HE1 PHE 93 165.170 -4.767 5.215 118 HE2 PHE 93 HE2 PHE 93 164.468 -3.656 1.126 119 HZ PHE 93 HZ PHE 93 164.473 -5.374 2.913 120 H ASP 94 H ASP 94 166.821 1.189 6.390 121 HA ASP 94 HA ASP 94 166.620 -0.665 8.559 122 1HB ASP 94 2HB ASP 94 167.815 2.104 8.255 123 2HB ASP 94 1HB ASP 94 168.061 1.111 9.692 124 H LYS 95 H LYS 95 164.238 -0.567 8.962 125 HA LYS 95 HA LYS 95 162.839 1.746 9.860 126 1HB LYS 95 2HB LYS 95 162.535 -1.203 10.510 127 2HB LYS 95 1HB LYS 95 161.312 0.019 10.858 128 1HG LYS 95 2HG LYS 95 162.434 -0.415 8.082 129 2HG LYS 95 1HG LYS 95 161.003 -1.261 8.671 130 1HD LYS 95 2HD LYS 95 159.878 0.874 9.090 131 2HD LYS 95 1HD LYS 95 161.319 1.754 8.577 132 1HE LYS 95 2HE LYS 95 160.230 1.763 6.547 133 2HE LYS 95 1HE LYS 95 160.933 0.140 6.410 134 1HZ LYS 95 1HZ LYS 95 158.468 0.218 6.107 135 2HZ LYS 95 2HZ LYS 95 158.333 0.697 7.731 136 3HZ LYS 95 3HZ LYS 95 158.988 -0.822 7.341 137 H GLU 96 H GLU 96 164.803 -0.629 11.694 138 HA GLU 96 HA GLU 96 164.235 0.777 14.233 139 1HB GLU 96 2HB GLU 96 165.806 -1.678 13.408 140 2HB GLU 96 1HB GLU 96 165.722 -1.111 15.076 141 1HG GLU 96 2HG GLU 96 163.278 -1.722 13.396 142 2HG GLU 96 1HG GLU 96 164.019 -2.884 14.496 143 H SER 97 H SER 97 165.981 1.911 11.884 144 HA SER 97 HA SER 97 168.041 2.947 11.571 145 1HB SER 97 2HB SER 97 166.503 4.325 13.026 146 2HB SER 97 1HB SER 97 167.415 3.751 14.420 147 HG SER 97 HG SER 97 168.034 5.663 12.594 148 H THR 98 H THR 98 168.582 0.222 12.565 149 HA THR 98 HA THR 98 170.470 0.248 14.739 150 HB THR 98 HB THR 98 171.162 -1.938 13.675 151 HG1 THR 98 HG1 THR 98 170.444 -2.433 11.729 152 1HG2 THR 98 1HG2 THR 98 169.409 -2.377 15.084 153 2HG2 THR 98 2HG2 THR 98 168.586 -2.723 13.563 154 3HG2 THR 98 3HG2 THR 98 168.374 -1.155 14.344 155 H GLY 99 H GLY 99 170.795 0.799 11.262 156 1HA GLY 99 2HA GLY 99 172.493 2.178 10.264 157 2HA GLY 99 1HA GLY 99 173.455 2.012 11.732 158 H LYS 100 H LYS 100 172.178 -0.982 10.629 159 HA LYS 100 HA LYS 100 174.726 -1.599 9.189 160 1HB LYS 100 2HB LYS 100 173.313 -3.022 11.449 161 2HB LYS 100 1HB LYS 100 174.492 -3.847 10.426 162 1HG LYS 100 2HG LYS 100 176.080 -1.902 10.958 163 2HG LYS 100 1HG LYS 100 174.937 -1.462 12.228 164 1HD LYS 100 2HD LYS 100 175.163 -3.700 13.226 165 2HD LYS 100 1HD LYS 100 176.285 -4.161 11.946 166 1HE LYS 100 2HE LYS 100 176.846 -1.726 13.637 167 2HE LYS 100 1HE LYS 100 177.301 -3.345 14.204 168 1HZ LYS 100 1HZ LYS 100 179.072 -2.349 12.872 169 2HZ LYS 100 2HZ LYS 100 178.007 -2.184 11.559 170 3HZ LYS 100 3HZ LYS 100 178.443 -3.729 12.115 171 H VAL 101 H VAL 101 174.480 -3.266 7.553 172 HA VAL 101 HA VAL 101 171.776 -4.389 7.099 173 HB VAL 101 HB VAL 101 173.273 -2.674 5.071 174 1HG1 VAL 101 1HG1 VAL 101 172.137 -4.162 3.714 175 2HG1 VAL 101 2HG1 VAL 101 170.861 -2.975 3.988 176 3HG1 VAL 101 3HG1 VAL 101 170.888 -4.473 4.920 177 1HG2 VAL 101 1HG2 VAL 101 172.227 -1.267 6.741 178 2HG2 VAL 101 2HG2 VAL 101 170.748 -2.222 6.693 179 3HG2 VAL 101 3HG2 VAL 101 171.204 -1.233 5.307 180 H SER 102 H SER 102 171.855 -6.157 5.478 181 HA SER 102 HA SER 102 174.350 -7.695 5.636 182 1HB SER 102 2HB SER 102 172.872 -9.261 4.223 183 2HB SER 102 1HB SER 102 172.295 -8.875 5.841 184 HG SER 102 HG SER 102 170.578 -8.203 4.835 185 H VAL 103 H VAL 103 175.754 -8.120 3.900 186 HA VAL 103 HA VAL 103 176.146 -6.193 1.862 187 HB VAL 103 HB VAL 103 177.818 -7.812 2.683 188 1HG1 VAL 103 1HG1 VAL 103 177.678 -10.125 2.325 189 2HG1 VAL 103 2HG1 VAL 103 176.500 -9.950 1.025 190 3HG1 VAL 103 3HG1 VAL 103 176.010 -9.697 2.700 191 1HG2 VAL 103 1HG2 VAL 103 177.603 -6.874 0.151 192 2HG2 VAL 103 2HG2 VAL 103 177.603 -8.606 -0.171 193 3HG2 VAL 103 3HG2 VAL 103 178.953 -7.870 0.693 194 H GLY 104 H GLY 104 174.306 -9.263 1.737 195 1HA GLY 104 2HA GLY 104 173.801 -9.281 -1.057 196 2HA GLY 104 1HA GLY 104 172.770 -10.040 0.156 197 H ASP 105 H ASP 105 172.061 -7.696 1.609 198 HA ASP 105 HA ASP 105 169.971 -6.626 -0.151 199 1HB ASP 105 2HB ASP 105 169.777 -7.304 2.301 200 2HB ASP 105 1HB ASP 105 170.699 -5.850 2.685 201 H LEU 106 H LEU 106 172.872 -5.398 1.501 202 HA LEU 106 HA LEU 106 172.588 -2.631 0.932 203 1HB LEU 106 2HB LEU 106 174.221 -3.653 2.484 204 2HB LEU 106 1HB LEU 106 175.073 -4.371 1.117 205 HG LEU 106 HG LEU 106 174.612 -1.420 1.065 206 1HD1 LEU 106 1HD1 LEU 106 175.434 -1.456 3.257 207 2HD1 LEU 106 2HD1 LEU 106 176.916 -1.318 2.310 208 3HD1 LEU 106 3HD1 LEU 106 176.429 -2.882 2.964 209 1HD2 LEU 106 1HD2 LEU 106 176.608 -3.425 0.058 210 2HD2 LEU 106 2HD2 LEU 106 177.095 -1.739 0.226 211 3HD2 LEU 106 3HD2 LEU 106 175.749 -2.166 -0.830 212 H ARG 107 H ARG 107 174.354 -5.144 -0.946 213 HA ARG 107 HA ARG 107 175.085 -3.378 -3.093 214 1HB ARG 107 2HB ARG 107 175.894 -5.780 -2.312 215 2HB ARG 107 1HB ARG 107 174.682 -6.329 -3.472 216 1HG ARG 107 2HG ARG 107 176.517 -4.168 -4.381 217 2HG ARG 107 1HG ARG 107 177.220 -5.776 -4.197 218 1HD ARG 107 2HD ARG 107 174.592 -5.520 -5.633 219 2HD ARG 107 1HD ARG 107 176.085 -5.097 -6.493 220 HE ARG 107 HE ARG 107 176.613 -7.533 -5.186 221 1HH1 ARG 107 2HH1 ARG 107 173.635 -7.808 -5.991 222 2HH1 ARG 107 1HH1 ARG 107 173.800 -8.639 -7.502 223 1HH2 ARG 107 1HH2 ARG 107 177.185 -7.953 -7.812 224 2HH2 ARG 107 2HH2 ARG 107 175.810 -8.720 -8.533 225 H TYR 108 H TYR 108 172.168 -5.269 -2.477 226 HA TYR 108 HA TYR 108 171.152 -5.211 -5.172 227 1HB TYR 108 2HB TYR 108 170.380 -6.698 -3.303 228 2HB TYR 108 1HB TYR 108 169.664 -5.288 -2.521 229 HD1 TYR 108 HD1 TYR 108 169.430 -7.622 -5.359 230 HD2 TYR 108 HD2 TYR 108 167.688 -4.189 -3.453 231 HE1 TYR 108 HE1 TYR 108 167.393 -7.882 -6.750 232 HE2 TYR 108 HE2 TYR 108 165.652 -4.449 -4.844 233 HH TYR 108 HH TYR 108 164.940 -7.227 -6.556 234 H MET 109 H MET 109 170.495 -3.058 -2.372 235 HA MET 109 HA MET 109 168.731 -1.322 -3.765 236 1HB MET 109 2HB MET 109 170.380 -1.303 -1.302 237 2HB MET 109 1HB MET 109 169.870 0.280 -1.885 238 1HG MET 109 2HG MET 109 167.596 -1.390 -2.112 239 2HG MET 109 1HG MET 109 168.316 -1.768 -0.550 240 1HE MET 109 1HE MET 109 167.522 0.906 -3.020 241 2HE MET 109 2HE MET 109 168.735 1.904 -2.223 242 3HE MET 109 3HE MET 109 167.033 2.342 -2.111 243 H LEU 110 H LEU 110 172.278 -1.215 -3.357 244 HA LEU 110 HA LEU 110 172.788 1.306 -4.578 245 1HB LEU 110 2HB LEU 110 174.205 -1.130 -3.846 246 2HB LEU 110 1HB LEU 110 174.818 -0.504 -5.377 247 HG LEU 110 HG LEU 110 174.833 1.801 -4.149 248 1HD1 LEU 110 1HD1 LEU 110 173.615 0.558 -2.159 249 2HD1 LEU 110 2HD1 LEU 110 174.811 1.810 -1.824 250 3HD1 LEU 110 3HD1 LEU 110 175.261 0.107 -1.711 251 1HD2 LEU 110 1HD2 LEU 110 177.097 1.504 -3.862 252 2HD2 LEU 110 2HD2 LEU 110 176.760 0.015 -4.744 253 3HD2 LEU 110 3HD2 LEU 110 176.892 -0.013 -2.985 254 H THR 111 H THR 111 172.443 -1.928 -5.979 255 HA THR 111 HA THR 111 172.841 -1.263 -8.738 256 HB THR 111 HB THR 111 171.054 -3.362 -7.463 257 HG1 THR 111 HG1 THR 111 173.795 -3.366 -8.184 258 1HG2 THR 111 1HG2 THR 111 172.360 -3.201 -10.193 259 2HG2 THR 111 2HG2 THR 111 170.631 -3.125 -9.856 260 3HG2 THR 111 3HG2 THR 111 171.522 -4.618 -9.562 261 H GLY 112 H GLY 112 170.067 -0.965 -6.620 262 1HA GLY 112 2HA GLY 112 168.246 -0.204 -8.807 263 2HA GLY 112 1HA GLY 112 167.825 -0.319 -7.099 264 H LEU 113 H LEU 113 170.512 1.338 -6.731 265 HA LEU 113 HA LEU 113 169.134 3.949 -6.740 266 1HB LEU 113 2HB LEU 113 170.661 2.542 -4.946 267 2HB LEU 113 1HB LEU 113 171.852 3.646 -5.631 268 HG LEU 113 HG LEU 113 169.162 4.483 -4.502 269 1HD1 LEU 113 1HD1 LEU 113 170.752 5.551 -2.753 270 2HD1 LEU 113 2HD1 LEU 113 171.943 4.391 -3.342 271 3HD1 LEU 113 3HD1 LEU 113 170.435 3.820 -2.630 272 1HD2 LEU 113 1HD2 LEU 113 171.570 6.051 -5.477 273 2HD2 LEU 113 2HD2 LEU 113 170.189 6.762 -4.642 274 3HD2 LEU 113 3HD2 LEU 113 169.972 6.011 -6.223 275 H GLY 114 H GLY 114 170.935 2.434 -9.074 276 1HA GLY 114 2HA GLY 114 171.767 3.691 -10.994 277 2HA GLY 114 1HA GLY 114 172.200 5.005 -9.899 278 H GLU 115 H GLU 115 172.838 1.652 -9.227 279 HA GLU 115 HA GLU 115 175.796 2.190 -9.449 280 1HB GLU 115 2HB GLU 115 174.594 1.669 -7.190 281 2HB GLU 115 1HB GLU 115 174.549 0.011 -7.791 282 1HG GLU 115 2HG GLU 115 177.172 1.331 -8.089 283 2HG GLU 115 1HG GLU 115 176.660 1.103 -6.417 284 H LYS 116 H LYS 116 176.709 1.118 -11.167 285 HA LYS 116 HA LYS 116 175.580 -1.546 -11.872 286 1HB LYS 116 2HB LYS 116 176.600 0.676 -13.685 287 2HB LYS 116 1HB LYS 116 176.212 -0.944 -14.263 288 1HG LYS 116 2HG LYS 116 173.894 -0.681 -13.455 289 2HG LYS 116 1HG LYS 116 174.280 0.941 -12.880 290 1HD LYS 116 2HD LYS 116 174.638 0.095 -15.764 291 2HD LYS 116 1HD LYS 116 173.158 0.841 -15.160 292 1HE LYS 116 2HE LYS 116 174.918 2.623 -14.182 293 2HE LYS 116 1HE LYS 116 175.849 2.059 -15.584 294 1HZ LYS 116 1HZ LYS 116 172.987 2.832 -15.715 295 2HZ LYS 116 2HZ LYS 116 174.020 2.489 -17.018 296 3HZ LYS 116 3HZ LYS 116 174.255 3.892 -16.091 297 H LEU 117 H LEU 117 177.354 -1.784 -10.100 298 HA LEU 117 HA LEU 117 180.103 -1.978 -11.200 299 1HB LEU 117 2HB LEU 117 178.865 -2.635 -8.501 300 2HB LEU 117 1HB LEU 117 180.591 -2.610 -8.857 301 HG LEU 117 HG LEU 117 178.744 -0.223 -9.144 302 1HD1 LEU 117 1HD1 LEU 117 179.339 0.458 -7.034 303 2HD1 LEU 117 2HD1 LEU 117 180.925 -0.309 -7.121 304 3HD1 LEU 117 3HD1 LEU 117 179.494 -1.280 -6.778 305 1HD2 LEU 117 1HD2 LEU 117 181.642 -0.753 -9.687 306 2HD2 LEU 117 2HD2 LEU 117 181.186 0.835 -9.071 307 3HD2 LEU 117 3HD2 LEU 117 180.501 0.247 -10.586 308 H THR 118 H THR 118 181.133 -4.049 -11.443 309 HA THR 118 HA THR 118 179.231 -6.362 -11.585 310 HB THR 118 HB THR 118 181.873 -5.999 -13.001 311 HG1 THR 118 HG1 THR 118 179.285 -5.422 -13.989 312 1HG2 THR 118 1HG2 THR 118 181.210 -7.802 -14.337 313 2HG2 THR 118 2HG2 THR 118 179.505 -7.590 -13.943 314 3HG2 THR 118 3HG2 THR 118 180.609 -8.271 -12.747 315 H ASP 119 H ASP 119 179.812 -8.276 -10.422 316 HA ASP 119 HA ASP 119 181.265 -8.335 -8.135 317 1HB ASP 119 2HB ASP 119 179.886 -10.138 -9.216 318 2HB ASP 119 1HB ASP 119 181.297 -10.558 -10.188 319 H ALA 120 H ALA 120 182.751 -8.403 -11.342 320 HA ALA 120 HA ALA 120 185.392 -9.299 -10.617 321 1HB ALA 120 1HB ALA 120 184.729 -7.216 -12.702 322 2HB ALA 120 2HB ALA 120 184.244 -8.898 -12.917 323 3HB ALA 120 3HB ALA 120 185.952 -8.484 -12.770 324 H GLU 121 H GLU 121 184.067 -5.984 -11.020 325 HA GLU 121 HA GLU 121 186.411 -4.716 -9.830 326 1HB GLU 121 2HB GLU 121 183.642 -3.847 -10.687 327 2HB GLU 121 1HB GLU 121 184.795 -2.720 -9.976 328 1HG GLU 121 2HG GLU 121 186.435 -3.294 -11.741 329 2HG GLU 121 1HG GLU 121 185.254 -4.387 -12.466 330 H VAL 122 H VAL 122 183.085 -5.433 -8.769 331 HA VAL 122 HA VAL 122 183.161 -4.174 -6.193 332 HB VAL 122 HB VAL 122 181.708 -6.668 -7.151 333 1HG1 VAL 122 1HG1 VAL 122 181.374 -4.857 -4.760 334 2HG1 VAL 122 2HG1 VAL 122 181.425 -6.619 -4.807 335 3HG1 VAL 122 3HG1 VAL 122 180.004 -5.763 -5.407 336 1HG2 VAL 122 1HG2 VAL 122 181.194 -4.839 -8.627 337 2HG2 VAL 122 2HG2 VAL 122 181.041 -3.718 -7.274 338 3HG2 VAL 122 3HG2 VAL 122 179.838 -4.986 -7.510 339 H ASP 123 H ASP 123 184.278 -7.393 -7.247 340 HA ASP 123 HA ASP 123 184.775 -8.405 -4.604 341 1HB ASP 123 2HB ASP 123 184.647 -9.784 -6.671 342 2HB ASP 123 1HB ASP 123 186.122 -9.022 -7.265 343 H GLU 124 H GLU 124 186.715 -6.486 -6.862 344 HA GLU 124 HA GLU 124 189.207 -6.520 -5.416 345 1HB GLU 124 2HB GLU 124 187.872 -4.547 -7.292 346 2HB GLU 124 1HB GLU 124 189.537 -4.377 -6.740 347 1HG GLU 124 2HG GLU 124 188.458 -6.829 -8.160 348 2HG GLU 124 1HG GLU 124 189.349 -5.531 -8.957 349 H LEU 125 H LEU 125 186.509 -4.168 -5.440 350 HA LEU 125 HA LEU 125 187.491 -2.386 -3.451 351 1HB LEU 125 2HB LEU 125 184.687 -3.219 -4.254 352 2HB LEU 125 1HB LEU 125 185.058 -1.797 -3.282 353 HG LEU 125 HG LEU 125 186.284 -2.267 -6.006 354 1HD1 LEU 125 1HD1 LEU 125 184.583 -0.649 -6.842 355 2HD1 LEU 125 2HD1 LEU 125 183.784 -0.711 -5.271 356 3HD1 LEU 125 3HD1 LEU 125 183.855 -2.154 -6.283 357 1HD2 LEU 125 1HD2 LEU 125 187.212 -0.187 -5.753 358 2HD2 LEU 125 2HD2 LEU 125 187.028 -0.548 -4.038 359 3HD2 LEU 125 3HD2 LEU 125 185.823 0.438 -4.863 360 H LEU 126 H LEU 126 185.279 -5.167 -3.168 361 HA LEU 126 HA LEU 126 184.860 -5.082 -0.348 362 1HB LEU 126 2HB LEU 126 184.739 -7.188 -2.496 363 2HB LEU 126 1HB LEU 126 184.394 -7.602 -0.817 364 HG LEU 126 HG LEU 126 183.037 -5.305 -2.241 365 1HD1 LEU 126 1HD1 LEU 126 181.140 -6.811 -2.602 366 2HD1 LEU 126 2HD1 LEU 126 182.036 -8.143 -1.869 367 3HD1 LEU 126 3HD1 LEU 126 182.574 -7.455 -3.402 368 1HD2 LEU 126 1HD2 LEU 126 181.791 -5.086 -0.328 369 2HD2 LEU 126 2HD2 LEU 126 183.191 -5.857 0.418 370 3HD2 LEU 126 3HD2 LEU 126 181.780 -6.822 -0.016 371 H LYS 127 H LYS 127 187.642 -6.061 -2.181 372 HA LYS 127 HA LYS 127 188.803 -8.079 -0.636 373 1HB LYS 127 2HB LYS 127 189.550 -7.100 -2.823 374 2HB LYS 127 1HB LYS 127 190.213 -5.731 -1.930 375 1HG LYS 127 2HG LYS 127 192.084 -7.107 -2.076 376 2HG LYS 127 1HG LYS 127 191.413 -7.618 -0.526 377 1HD LYS 127 2HD LYS 127 190.622 -9.626 -1.372 378 2HD LYS 127 1HD LYS 127 190.461 -8.991 -3.010 379 1HE LYS 127 2HE LYS 127 192.353 -10.555 -2.933 380 2HE LYS 127 1HE LYS 127 192.979 -8.908 -3.154 381 1HZ LYS 127 1HZ LYS 127 193.358 -8.712 -0.819 382 2HZ LYS 127 2HZ LYS 127 194.094 -10.153 -1.336 383 3HZ LYS 127 3HZ LYS 127 192.612 -10.204 -0.507 384 H GLY 128 H GLY 128 188.382 -4.691 0.170 385 1HA GLY 128 2HA GLY 128 190.145 -5.044 2.558 386 2HA GLY 128 1HA GLY 128 189.913 -3.494 1.752 387 H VAL 129 H VAL 129 187.188 -5.663 2.171 388 HA VAL 129 HA VAL 129 186.050 -3.724 4.158 389 HB VAL 129 HB VAL 129 184.732 -5.686 2.238 390 1HG1 VAL 129 1HG1 VAL 129 183.428 -3.452 3.810 391 2HG1 VAL 129 2HG1 VAL 129 183.498 -5.111 4.405 392 3HG1 VAL 129 3HG1 VAL 129 182.639 -4.747 2.908 393 1HG2 VAL 129 1HG2 VAL 129 184.025 -3.574 1.074 394 2HG2 VAL 129 2HG2 VAL 129 185.768 -3.843 1.034 395 3HG2 VAL 129 3HG2 VAL 129 185.081 -2.672 2.162 396 H GLU 130 H GLU 130 185.673 -4.391 6.138 397 HA GLU 130 HA GLU 130 186.117 -7.246 6.855 398 1HB GLU 130 2HB GLU 130 186.444 -6.312 9.111 399 2HB GLU 130 1HB GLU 130 187.486 -5.534 7.923 400 1HG GLU 130 2HG GLU 130 186.595 -3.532 8.414 401 2HG GLU 130 1HG GLU 130 185.000 -4.135 7.975 402 H VAL 131 H VAL 131 184.182 -8.302 6.563 403 HA VAL 131 HA VAL 131 181.641 -7.216 7.619 404 HB VAL 131 HB VAL 131 181.761 -8.534 5.524 405 1HG1 VAL 131 1HG1 VAL 131 182.122 -11.153 6.182 406 2HG1 VAL 131 2HG1 VAL 131 183.262 -10.388 7.286 407 3HG1 VAL 131 3HG1 VAL 131 183.404 -10.120 5.551 408 1HG2 VAL 131 1HG2 VAL 131 179.712 -8.660 6.857 409 2HG2 VAL 131 2HG2 VAL 131 180.392 -9.983 7.803 410 3HG2 VAL 131 3HG2 VAL 131 180.031 -10.217 6.094 411 H ASP 132 H ASP 132 180.455 -8.396 9.334 412 HA ASP 132 HA ASP 132 182.316 -9.384 11.423 413 1HB ASP 132 2HB ASP 132 179.413 -8.519 11.368 414 2HB ASP 132 1HB ASP 132 180.236 -9.069 12.828 415 H SER 133 H SER 133 181.106 -11.067 12.912 416 HA SER 133 HA SER 133 180.931 -13.555 11.452 417 1HB SER 133 2HB SER 133 180.063 -12.971 14.291 418 2HB SER 133 1HB SER 133 180.672 -14.491 13.646 419 HG SER 133 HG SER 133 182.612 -13.783 13.985 420 H ASN 134 H ASN 134 178.567 -11.156 11.734 421 HA ASN 134 HA ASN 134 176.321 -13.135 11.701 422 1HB ASN 134 2HB ASN 134 176.535 -11.125 13.354 423 2HB ASN 134 1HB ASN 134 176.112 -10.136 11.957 424 1HD2 ASN 134 1HD2 ASN 134 174.890 -12.604 14.186 425 2HD2 ASN 134 2HD2 ASN 134 173.265 -12.478 13.713 426 H GLY 135 H GLY 135 178.205 -11.105 9.668 427 1HA GLY 135 2HA GLY 135 178.019 -11.056 7.287 428 2HA GLY 135 1HA GLY 135 176.367 -11.661 7.426 429 H GLU 136 H GLU 136 177.500 -8.972 9.357 430 HA GLU 136 HA GLU 136 175.622 -7.189 7.851 431 1HB GLU 136 2HB GLU 136 176.615 -7.229 10.716 432 2HB GLU 136 1HB GLU 136 175.563 -5.974 10.058 433 1HG GLU 136 2HG GLU 136 173.876 -7.683 9.487 434 2HG GLU 136 1HG GLU 136 174.926 -8.939 10.148 435 H ILE 137 H ILE 137 176.381 -5.348 6.968 436 HA ILE 137 HA ILE 137 179.190 -4.483 7.584 437 HB ILE 137 HB ILE 137 177.676 -4.638 4.951 438 1HG1 ILE 137 2HG1 ILE 137 179.919 -6.008 4.517 439 2HG1 ILE 137 1HG1 ILE 137 179.869 -6.195 6.269 440 1HG2 ILE 137 1HG2 ILE 137 179.019 -2.615 4.919 441 2HG2 ILE 137 2HG2 ILE 137 179.850 -3.838 3.958 442 3HG2 ILE 137 3HG2 ILE 137 180.404 -3.475 5.592 443 1HD1 ILE 137 1HD1 ILE 137 178.067 -7.584 6.194 444 2HD1 ILE 137 2HD1 ILE 137 178.556 -7.832 4.520 445 3HD1 ILE 137 3HD1 ILE 137 177.290 -6.666 4.903 446 H ASP 138 H ASP 138 179.475 -2.081 6.961 447 HA ASP 138 HA ASP 138 177.085 -0.587 7.913 448 1HB ASP 138 2HB ASP 138 179.459 -0.461 8.893 449 2HB ASP 138 1HB ASP 138 179.894 0.441 7.441 450 H TYR 139 H TYR 139 175.794 0.119 6.228 451 HA TYR 139 HA TYR 139 176.618 0.392 3.501 452 1HB TYR 139 2HB TYR 139 174.393 1.408 3.236 453 2HB TYR 139 1HB TYR 139 174.333 -0.043 4.230 454 HD1 TYR 139 HD1 TYR 139 174.274 3.673 4.313 455 HD2 TYR 139 HD2 TYR 139 173.667 0.043 6.521 456 HE1 TYR 139 HE1 TYR 139 173.179 4.960 6.131 457 HE2 TYR 139 HE2 TYR 139 172.575 1.324 8.336 458 HH TYR 139 HH TYR 139 171.655 4.621 7.963 459 H LYS 140 H LYS 140 176.409 2.800 6.131 460 HA LYS 140 HA LYS 140 176.692 5.096 4.435 461 1HB LYS 140 2HB LYS 140 176.458 4.436 7.234 462 2HB LYS 140 1HB LYS 140 177.734 5.634 7.035 463 1HG LYS 140 2HG LYS 140 176.202 7.078 5.764 464 2HG LYS 140 1HG LYS 140 174.924 5.875 5.925 465 1HD LYS 140 2HD LYS 140 175.134 6.079 8.422 466 2HD LYS 140 1HD LYS 140 176.261 7.412 8.166 467 1HE LYS 140 2HE LYS 140 174.461 8.572 6.816 468 2HE LYS 140 1HE LYS 140 173.340 7.304 7.348 469 1HZ LYS 140 1HZ LYS 140 174.087 7.796 9.661 470 2HZ LYS 140 2HZ LYS 140 173.215 9.057 8.931 471 3HZ LYS 140 3HZ LYS 140 174.906 9.156 9.062 472 H LYS 141 H LYS 141 179.028 3.124 6.238 473 HA LYS 141 HA LYS 141 181.346 4.748 5.754 474 1HB LYS 141 2HB LYS 141 180.906 1.822 6.394 475 2HB LYS 141 1HB LYS 141 182.506 2.563 6.357 476 1HG LYS 141 2HG LYS 141 181.786 4.202 8.057 477 2HG LYS 141 1HG LYS 141 180.192 3.452 8.104 478 1HD LYS 141 2HD LYS 141 181.198 1.327 8.834 479 2HD LYS 141 1HD LYS 141 182.802 2.059 8.774 480 1HE LYS 141 2HE LYS 141 182.212 3.634 10.536 481 2HE LYS 141 1HE LYS 141 180.534 3.059 10.534 482 1HZ LYS 141 1HZ LYS 141 181.346 0.830 11.049 483 2HZ LYS 141 2HZ LYS 141 181.806 1.937 12.253 484 3HZ LYS 141 3HZ LYS 141 182.940 1.408 11.104 485 H PHE 142 H PHE 142 180.068 1.888 4.037 486 HA PHE 142 HA PHE 142 182.236 1.768 2.157 487 1HB PHE 142 2HB PHE 142 180.588 -0.051 2.894 488 2HB PHE 142 1HB PHE 142 179.424 0.694 1.800 489 HD1 PHE 142 HD1 PHE 142 179.238 -0.401 -0.236 490 HD2 PHE 142 HD2 PHE 142 183.085 -0.144 1.655 491 HE1 PHE 142 HE1 PHE 142 180.258 -1.617 -2.146 492 HE2 PHE 142 HE2 PHE 142 184.105 -1.357 -0.252 493 HZ PHE 142 HZ PHE 142 182.692 -2.094 -2.151 494 H ILE 143 H ILE 143 179.194 3.536 2.208 495 HA ILE 143 HA ILE 143 179.289 4.215 -0.659 496 HB ILE 143 HB ILE 143 177.606 5.091 1.715 497 1HG1 ILE 143 2HG1 ILE 143 176.894 3.288 -0.611 498 2HG1 ILE 143 1HG1 ILE 143 177.473 2.680 0.940 499 1HG2 ILE 143 1HG2 ILE 143 177.383 5.704 -1.237 500 2HG2 ILE 143 2HG2 ILE 143 177.461 6.848 0.102 501 3HG2 ILE 143 3HG2 ILE 143 176.021 5.856 -0.128 502 1HD1 ILE 143 1HD1 ILE 143 175.126 2.610 1.165 503 2HD1 ILE 143 2HD1 ILE 143 174.914 4.153 0.338 504 3HD1 ILE 143 3HD1 ILE 143 175.574 4.112 1.973 505 H GLU 144 H GLU 144 179.607 6.028 2.416 506 HA GLU 144 HA GLU 144 180.334 8.545 1.260 507 1HB GLU 144 2HB GLU 144 180.892 7.208 3.920 508 2HB GLU 144 1HB GLU 144 181.268 8.901 3.597 509 1HG GLU 144 2HG GLU 144 178.899 9.328 3.049 510 2HG GLU 144 1HG GLU 144 178.520 7.636 3.377 511 H ASP 145 H ASP 145 182.264 5.660 1.889 512 HA ASP 145 HA ASP 145 184.777 7.152 1.465 513 1HB ASP 145 2HB ASP 145 184.571 5.343 3.171 514 2HB ASP 145 1HB ASP 145 184.219 4.192 1.881 515 H VAL 146 H VAL 146 182.491 5.442 -0.482 516 HA VAL 146 HA VAL 146 184.500 4.990 -2.638 517 HB VAL 146 HB VAL 146 181.590 4.214 -2.227 518 1HG1 VAL 146 1HG1 VAL 146 181.915 4.530 -4.612 519 2HG1 VAL 146 2HG1 VAL 146 181.942 2.797 -4.285 520 3HG1 VAL 146 3HG1 VAL 146 183.452 3.667 -4.561 521 1HG2 VAL 146 1HG2 VAL 146 183.393 3.037 -0.905 522 2HG2 VAL 146 2HG2 VAL 146 184.086 2.508 -2.439 523 3HG2 VAL 146 3HG2 VAL 146 182.471 1.977 -1.972 524 H LEU 147 H LEU 147 181.464 6.718 -1.963 525 HA LEU 147 HA LEU 147 181.233 8.074 -4.507 526 1HB LEU 147 2HB LEU 147 180.084 8.235 -1.760 527 2HB LEU 147 1HB LEU 147 179.889 9.649 -2.790 528 HG LEU 147 HG LEU 147 177.972 8.108 -3.013 529 1HD1 LEU 147 1HD1 LEU 147 177.883 8.941 -5.098 530 2HD1 LEU 147 2HD1 LEU 147 178.847 7.576 -5.657 531 3HD1 LEU 147 3HD1 LEU 147 179.639 9.072 -5.166 532 1HD2 LEU 147 1HD2 LEU 147 179.095 5.997 -2.514 533 2HD2 LEU 147 2HD2 LEU 147 180.088 6.149 -3.963 534 3HD2 LEU 147 3HD2 LEU 147 178.348 5.892 -4.108 535 H ARG 148 H ARG 148 183.348 8.640 -1.835 536 HA ARG 148 HA ARG 148 183.698 11.461 -1.965 537 1HB ARG 148 2HB ARG 148 185.118 9.071 -0.993 538 2HB ARG 148 1HB ARG 148 186.191 10.413 -1.386 539 1HG ARG 148 2HG ARG 148 184.779 11.912 0.020 540 2HG ARG 148 1HG ARG 148 183.796 10.520 0.471 541 1HD ARG 148 2HD ARG 148 185.677 9.451 1.560 542 2HD ARG 148 1HD ARG 148 186.793 10.683 0.941 543 HE ARG 148 HE ARG 148 184.765 12.079 2.315 544 1HH1 ARG 148 1HH2 ARG 148 185.784 9.254 3.633 545 2HH1 ARG 148 2HH2 ARG 148 186.638 9.940 4.975 546 1HH2 ARG 148 2HH1 ARG 148 186.477 13.184 3.761 547 2HH2 ARG 148 1HH1 ARG 148 187.031 12.165 5.047 548 H GLN 149 HN GLN 149 184.795 12.754 -3.444 549 HA GLN 149 HA GLN 149 186.716 11.575 -5.358 550 1HB GLN 149 2HB GLN 149 185.379 12.390 -7.296 551 2HB GLN 149 1HB GLN 149 184.511 11.168 -6.368 552 1HG GLN 149 2HG GLN 149 183.185 12.862 -5.254 553 2HG GLN 149 1HG GLN 149 184.147 14.152 -5.978 554 1HE2 GLN 149 1HE2 GLN 149 182.810 15.140 -7.510 555 2HE2 GLN 149 2HE2 GLN 149 181.897 14.308 -8.674 Start of MODEL 12 1 1H LYS 80 H LYS 80 176.256 15.002 -10.383 2 HA LYS 80 HA LYS 80 178.165 15.515 -8.246 3 1HB LYS 80 2HB LYS 80 177.990 17.678 -9.598 4 2HB LYS 80 1HB LYS 80 176.320 17.784 -9.040 5 1HG LYS 80 2HG LYS 80 177.650 19.082 -7.514 6 2HG LYS 80 1HG LYS 80 177.206 17.596 -6.672 7 1HD LYS 80 2HD LYS 80 179.355 16.717 -6.804 8 2HD LYS 80 1HD LYS 80 179.764 17.665 -8.235 9 1HE LYS 80 2HE LYS 80 180.412 19.489 -6.999 10 2HE LYS 80 1HE LYS 80 179.156 19.225 -5.773 11 1HZ LYS 80 1HZ LYS 80 180.362 17.429 -4.852 12 2HZ LYS 80 2HZ LYS 80 181.482 18.694 -5.036 13 3HZ LYS 80 3HZ LYS 80 181.467 17.402 -6.139 14 H ALA 81 H ALA 81 176.934 13.747 -7.380 15 HA ALA 81 HA ALA 81 174.071 14.232 -6.661 16 1HB ALA 81 1HB ALA 81 175.601 11.729 -6.080 17 2HB ALA 81 2HB ALA 81 175.263 12.116 -7.767 18 3HB ALA 81 3HB ALA 81 173.934 11.922 -6.624 19 H LYS 82 H LYS 82 173.440 13.761 -4.377 20 HA LYS 82 HA LYS 82 175.618 14.521 -2.460 21 1HB LYS 82 2HB LYS 82 172.590 14.734 -2.359 22 2HB LYS 82 1HB LYS 82 173.690 15.318 -1.110 23 1HG LYS 82 2HG LYS 82 174.740 16.845 -2.735 24 2HG LYS 82 1HG LYS 82 173.653 16.258 -3.994 25 1HD LYS 82 2HD LYS 82 171.712 17.032 -2.658 26 2HD LYS 82 1HD LYS 82 172.819 17.663 -1.438 27 1HE LYS 82 2HE LYS 82 173.360 18.547 -4.224 28 2HE LYS 82 1HE LYS 82 171.880 19.186 -3.479 29 1HZ LYS 82 1HZ LYS 82 173.897 20.506 -2.950 30 2HZ LYS 82 2HZ LYS 82 174.537 19.151 -2.149 31 3HZ LYS 82 3HZ LYS 82 173.117 19.889 -1.576 32 H THR 83 H THR 83 175.715 13.480 -0.475 33 HA THR 83 HA THR 83 175.593 10.659 -0.358 34 HB THR 83 HB THR 83 175.112 12.467 2.022 35 HG1 THR 83 HG1 THR 83 176.798 13.504 1.331 36 1HG2 THR 83 1HG2 THR 83 176.003 10.768 3.263 37 2HG2 THR 83 2HG2 THR 83 177.142 10.306 1.999 38 3HG2 THR 83 3HG2 THR 83 175.461 9.785 1.903 39 H GLU 84 H GLU 84 173.117 13.045 0.284 40 HA GLU 84 HA GLU 84 171.112 11.668 1.649 41 1HB GLU 84 2HB GLU 84 171.049 13.632 -0.661 42 2HB GLU 84 1HB GLU 84 169.604 13.192 0.263 43 1HG GLU 84 2HG GLU 84 170.640 13.987 2.333 44 2HG GLU 84 1HG GLU 84 172.137 14.346 1.471 45 H ASP 85 H ASP 85 171.922 11.436 -1.791 46 HA ASP 85 HA ASP 85 169.624 9.913 -2.616 47 1HB ASP 85 2HB ASP 85 171.583 11.187 -3.880 48 2HB ASP 85 1HB ASP 85 172.327 9.589 -3.873 49 H PHE 86 H PHE 86 172.918 8.902 -1.672 50 HA PHE 86 HA PHE 86 172.326 6.053 -1.881 51 1HB PHE 86 2HB PHE 86 174.589 7.740 -0.824 52 2HB PHE 86 1HB PHE 86 174.615 5.978 -0.731 53 HD1 PHE 86 HD1 PHE 86 175.993 8.449 -2.549 54 HD2 PHE 86 HD2 PHE 86 173.442 5.048 -3.194 55 HE1 PHE 86 HE1 PHE 86 176.736 8.337 -4.912 56 HE2 PHE 86 HE2 PHE 86 174.189 4.940 -5.556 57 HZ PHE 86 HZ PHE 86 175.834 6.583 -6.415 58 H VAL 87 H VAL 87 172.606 8.322 0.920 59 HA VAL 87 HA VAL 87 172.437 6.254 2.870 60 HB VAL 87 HB VAL 87 171.986 8.154 4.376 61 1HG1 VAL 87 1HG1 VAL 87 174.269 7.895 3.950 62 2HG1 VAL 87 2HG1 VAL 87 173.986 9.587 3.540 63 3HG1 VAL 87 3HG1 VAL 87 174.097 8.375 2.263 64 1HG2 VAL 87 1HG2 VAL 87 171.450 9.553 1.784 65 2HG2 VAL 87 2HG2 VAL 87 172.060 10.459 3.165 66 3HG2 VAL 87 3HG2 VAL 87 170.525 9.600 3.281 67 H LYS 88 H LYS 88 169.955 8.346 1.391 68 HA LYS 88 HA LYS 88 167.707 7.551 2.950 69 1HB LYS 88 2HB LYS 88 168.172 8.630 0.180 70 2HB LYS 88 1HB LYS 88 166.540 8.191 0.680 71 1HG LYS 88 2HG LYS 88 166.851 9.645 2.714 72 2HG LYS 88 1HG LYS 88 168.381 10.187 2.026 73 1HD LYS 88 2HD LYS 88 167.309 11.213 0.170 74 2HD LYS 88 1HD LYS 88 165.789 10.373 0.486 75 1HE LYS 88 2HE LYS 88 165.157 11.860 2.120 76 2HE LYS 88 1HE LYS 88 166.821 12.084 2.697 77 1HZ LYS 88 1HZ LYS 88 165.872 13.047 0.056 78 2HZ LYS 88 2HZ LYS 88 167.338 13.421 0.830 79 3HZ LYS 88 3HZ LYS 88 165.872 14.021 1.445 80 H ALA 89 H ALA 89 169.257 6.072 0.159 81 HA ALA 89 HA ALA 89 167.274 4.159 -0.587 82 1HB ALA 89 1HB ALA 89 170.119 3.344 -0.667 83 2HB ALA 89 2HB ALA 89 169.771 4.908 -1.402 84 3HB ALA 89 3HB ALA 89 168.946 3.460 -1.979 85 H PHE 90 H PHE 90 170.124 3.607 1.549 86 HA PHE 90 HA PHE 90 169.093 1.022 2.378 87 1HB PHE 90 2HB PHE 90 171.339 2.793 3.404 88 2HB PHE 90 1HB PHE 90 171.115 1.099 3.847 89 HD1 PHE 90 HD1 PHE 90 172.887 3.203 1.700 90 HD2 PHE 90 HD2 PHE 90 170.652 -0.467 1.673 91 HE1 PHE 90 HE1 PHE 90 174.071 2.496 -0.359 92 HE2 PHE 90 HE2 PHE 90 171.835 -1.167 -0.384 93 HZ PHE 90 HZ PHE 90 173.546 0.309 -1.403 94 H GLN 91 H GLN 91 169.653 4.089 4.141 95 HA GLN 91 HA GLN 91 168.684 3.445 6.651 96 1HB GLN 91 2HB GLN 91 168.419 5.969 5.002 97 2HB GLN 91 1HB GLN 91 168.044 5.911 6.726 98 1HG GLN 91 2HG GLN 91 170.316 5.188 7.239 99 2HG GLN 91 1HG GLN 91 170.707 5.103 5.521 100 1HE2 GLN 91 1HE2 GLN 91 171.980 6.861 7.573 101 2HE2 GLN 91 2HE2 GLN 91 171.734 8.453 7.036 102 H VAL 92 H VAL 92 166.591 4.481 3.889 103 HA VAL 92 HA VAL 92 164.165 4.583 5.359 104 HB VAL 92 HB VAL 92 164.797 3.895 2.465 105 1HG1 VAL 92 1HG1 VAL 92 162.360 4.664 2.116 106 2HG1 VAL 92 2HG1 VAL 92 162.143 4.365 3.840 107 3HG1 VAL 92 3HG1 VAL 92 162.595 3.042 2.765 108 1HG2 VAL 92 1HG2 VAL 92 165.246 6.213 3.701 109 2HG2 VAL 92 2HG2 VAL 92 163.522 6.434 3.403 110 3HG2 VAL 92 3HG2 VAL 92 164.624 6.166 2.052 111 H PHE 93 H PHE 93 165.804 1.829 3.800 112 HA PHE 93 HA PHE 93 163.742 -0.137 4.301 113 1HB PHE 93 2HB PHE 93 165.739 -0.264 2.720 114 2HB PHE 93 1HB PHE 93 166.749 -0.536 4.138 115 HD1 PHE 93 HD1 PHE 93 164.790 -2.091 1.646 116 HD2 PHE 93 HD2 PHE 93 165.929 -2.455 5.768 117 HE1 PHE 93 HE1 PHE 93 164.188 -4.498 1.598 118 HE2 PHE 93 HE2 PHE 93 165.328 -4.860 5.724 119 HZ PHE 93 HZ PHE 93 164.458 -5.882 3.639 120 H ASP 94 H ASP 94 166.664 0.889 6.119 121 HA ASP 94 HA ASP 94 166.385 -0.972 8.281 122 1HB ASP 94 2HB ASP 94 168.322 0.606 7.524 123 2HB ASP 94 1HB ASP 94 167.523 1.809 8.537 124 H LYS 95 H LYS 95 164.010 -0.825 8.649 125 HA LYS 95 HA LYS 95 162.658 1.528 9.528 126 1HB LYS 95 2HB LYS 95 162.211 -1.401 10.196 127 2HB LYS 95 1HB LYS 95 161.014 -0.120 10.394 128 1HG LYS 95 2HG LYS 95 161.528 0.353 7.855 129 2HG LYS 95 1HG LYS 95 162.110 -1.310 7.866 130 1HD LYS 95 2HD LYS 95 159.976 -2.138 8.611 131 2HD LYS 95 1HD LYS 95 159.380 -0.502 8.898 132 1HE LYS 95 2HE LYS 95 159.562 -0.014 6.470 133 2HE LYS 95 1HE LYS 95 160.113 -1.677 6.191 134 1HZ LYS 95 1HZ LYS 95 157.600 -1.019 7.623 135 2HZ LYS 95 2HZ LYS 95 158.106 -2.541 7.062 136 3HZ LYS 95 3HZ LYS 95 157.654 -1.333 5.958 137 H GLU 96 H GLU 96 164.515 -0.922 11.376 138 HA GLU 96 HA GLU 96 163.877 0.421 13.927 139 1HB GLU 96 2HB GLU 96 165.600 -1.958 13.162 140 2HB GLU 96 1HB GLU 96 165.226 -1.481 14.818 141 1HG GLU 96 2HG GLU 96 163.137 -2.163 12.730 142 2HG GLU 96 1HG GLU 96 163.723 -3.291 13.953 143 H SER 97 H SER 97 165.752 1.554 11.625 144 HA SER 97 HA SER 97 167.821 2.595 11.432 145 1HB SER 97 2HB SER 97 166.265 4.076 12.634 146 2HB SER 97 1HB SER 97 166.829 3.423 14.170 147 HG SER 97 HG SER 97 167.834 5.441 13.373 148 H THR 98 H THR 98 168.347 -0.101 12.518 149 HA THR 98 HA THR 98 170.073 0.023 14.819 150 HB THR 98 HB THR 98 170.862 -2.183 13.918 151 HG1 THR 98 HG1 THR 98 170.814 -2.323 11.837 152 1HG2 THR 98 1HG2 THR 98 167.874 -1.758 13.645 153 2HG2 THR 98 2HG2 THR 98 168.723 -1.999 15.172 154 3HG2 THR 98 3HG2 THR 98 168.684 -3.290 13.971 155 H GLY 99 H GLY 99 170.628 0.564 11.378 156 1HA GLY 99 2HA GLY 99 172.361 2.028 10.556 157 2HA GLY 99 1HA GLY 99 173.243 1.789 12.058 158 H LYS 100 H LYS 100 172.081 -1.163 10.757 159 HA LYS 100 HA LYS 100 174.702 -1.662 9.401 160 1HB LYS 100 2HB LYS 100 173.188 -3.401 11.376 161 2HB LYS 100 1HB LYS 100 174.669 -3.877 10.543 162 1HG LYS 100 2HG LYS 100 175.698 -1.726 11.532 163 2HG LYS 100 1HG LYS 100 174.299 -1.707 12.607 164 1HD LYS 100 2HD LYS 100 174.872 -4.083 13.249 165 2HD LYS 100 1HD LYS 100 176.374 -3.894 12.342 166 1HE LYS 100 2HE LYS 100 177.076 -2.053 13.783 167 2HE LYS 100 1HE LYS 100 175.520 -2.093 14.639 168 1HZ LYS 100 1HZ LYS 100 177.049 -3.399 15.891 169 2HZ LYS 100 2HZ LYS 100 177.559 -4.250 14.511 170 3HZ LYS 100 3HZ LYS 100 175.989 -4.476 15.121 171 H VAL 101 H VAL 101 174.552 -3.303 7.682 172 HA VAL 101 HA VAL 101 171.864 -4.384 7.083 173 HB VAL 101 HB VAL 101 171.978 -3.422 4.763 174 1HG1 VAL 101 1HG1 VAL 101 172.262 -1.238 6.836 175 2HG1 VAL 101 2HG1 VAL 101 170.837 -2.273 6.742 176 3HG1 VAL 101 3HG1 VAL 101 171.261 -1.230 5.384 177 1HG2 VAL 101 1HG2 VAL 101 174.510 -3.184 4.835 178 2HG2 VAL 101 2HG2 VAL 101 174.270 -1.760 5.848 179 3HG2 VAL 101 3HG2 VAL 101 173.647 -1.784 4.197 180 H SER 102 H SER 102 171.948 -6.048 5.385 181 HA SER 102 HA SER 102 174.423 -7.650 5.496 182 1HB SER 102 2HB SER 102 172.883 -9.178 4.138 183 2HB SER 102 1HB SER 102 172.341 -8.772 5.763 184 HG SER 102 HG SER 102 170.761 -7.612 4.950 185 H VAL 103 H VAL 103 175.714 -8.147 3.653 186 HA VAL 103 HA VAL 103 176.066 -6.192 1.618 187 HB VAL 103 HB VAL 103 176.734 -9.158 1.681 188 1HG1 VAL 103 1HG1 VAL 103 178.690 -8.129 0.190 189 2HG1 VAL 103 2HG1 VAL 103 177.450 -6.934 -0.194 190 3HG1 VAL 103 3HG1 VAL 103 177.167 -8.640 -0.539 191 1HG2 VAL 103 1HG2 VAL 103 179.053 -7.853 2.183 192 2HG2 VAL 103 2HG2 VAL 103 177.951 -8.370 3.462 193 3HG2 VAL 103 3HG2 VAL 103 177.912 -6.704 2.885 194 H GLY 104 H GLY 104 174.136 -9.221 1.572 195 1HA GLY 104 2HA GLY 104 173.461 -9.215 -1.176 196 2HA GLY 104 1HA GLY 104 172.468 -9.923 0.096 197 H ASP 105 H ASP 105 171.904 -7.568 1.568 198 HA ASP 105 HA ASP 105 169.780 -6.414 -0.094 199 1HB ASP 105 2HB ASP 105 169.616 -7.055 2.342 200 2HB ASP 105 1HB ASP 105 170.708 -5.720 2.710 201 H LEU 106 H LEU 106 172.808 -5.316 1.398 202 HA LEU 106 HA LEU 106 172.621 -2.541 0.801 203 1HB LEU 106 2HB LEU 106 174.266 -3.604 2.312 204 2HB LEU 106 1HB LEU 106 175.033 -4.386 0.929 205 HG LEU 106 HG LEU 106 175.380 -2.048 -0.035 206 1HD1 LEU 106 1HD1 LEU 106 173.669 -1.229 1.877 207 2HD1 LEU 106 2HD1 LEU 106 174.909 -0.172 1.206 208 3HD1 LEU 106 3HD1 LEU 106 175.187 -0.990 2.742 209 1HD2 LEU 106 1HD2 LEU 106 177.470 -1.980 0.929 210 2HD2 LEU 106 2HD2 LEU 106 176.978 -3.574 1.504 211 3HD2 LEU 106 3HD2 LEU 106 176.836 -2.172 2.564 212 H ARG 107 H ARG 107 174.171 -5.177 -1.091 213 HA ARG 107 HA ARG 107 174.928 -3.500 -3.292 214 1HB ARG 107 2HB ARG 107 175.691 -5.877 -2.557 215 2HB ARG 107 1HB ARG 107 174.303 -6.447 -3.484 216 1HG ARG 107 2HG ARG 107 175.330 -4.795 -5.318 217 2HG ARG 107 1HG ARG 107 176.819 -5.151 -4.440 218 1HD ARG 107 2HD ARG 107 176.495 -7.552 -4.773 219 2HD ARG 107 1HD ARG 107 174.928 -7.257 -5.554 220 HE ARG 107 HE ARG 107 177.486 -6.155 -6.662 221 1HH1 ARG 107 1HH2 ARG 107 174.523 -5.600 -7.568 222 2HH1 ARG 107 2HH2 ARG 107 174.489 -6.547 -9.017 223 1HH2 ARG 107 2HH1 ARG 107 177.402 -8.274 -8.272 224 2HH2 ARG 107 1HH1 ARG 107 176.119 -8.062 -9.416 225 H TYR 108 H TYR 108 171.926 -5.215 -2.549 226 HA TYR 108 HA TYR 108 170.819 -5.091 -5.211 227 1HB TYR 108 2HB TYR 108 170.074 -6.607 -3.378 228 2HB TYR 108 1HB TYR 108 169.461 -5.210 -2.493 229 HD1 TYR 108 HD1 TYR 108 168.966 -7.405 -5.408 230 HD2 TYR 108 HD2 TYR 108 167.473 -4.004 -3.251 231 HE1 TYR 108 HE1 TYR 108 166.839 -7.535 -6.676 232 HE2 TYR 108 HE2 TYR 108 165.346 -4.133 -4.519 233 HH TYR 108 HH TYR 108 164.492 -5.019 -6.589 234 H MET 109 H MET 109 170.285 -2.972 -2.350 235 HA MET 109 HA MET 109 168.546 -1.187 -3.758 236 1HB MET 109 2HB MET 109 170.041 -1.285 -1.197 237 2HB MET 109 1HB MET 109 169.483 0.305 -1.718 238 1HG MET 109 2HG MET 109 167.387 -1.652 -2.131 239 2HG MET 109 1HG MET 109 167.969 -1.740 -0.474 240 1HE MET 109 1HE MET 109 168.237 1.672 -2.554 241 2HE MET 109 2HE MET 109 166.520 2.056 -2.630 242 3HE MET 109 3HE MET 109 167.113 0.560 -3.345 243 H LEU 110 H LEU 110 172.078 -1.135 -3.155 244 HA LEU 110 HA LEU 110 172.671 1.471 -4.105 245 1HB LEU 110 2HB LEU 110 174.080 -0.594 -3.135 246 2HB LEU 110 1HB LEU 110 174.403 -0.864 -4.848 247 HG LEU 110 HG LEU 110 175.043 1.616 -4.961 248 1HD1 LEU 110 1HD1 LEU 110 173.943 2.030 -2.666 249 2HD1 LEU 110 2HD1 LEU 110 175.520 2.769 -2.939 250 3HD1 LEU 110 3HD1 LEU 110 175.390 1.298 -1.976 251 1HD2 LEU 110 1HD2 LEU 110 176.806 0.008 -3.107 252 2HD2 LEU 110 2HD2 LEU 110 177.292 1.127 -4.380 253 3HD2 LEU 110 3HD2 LEU 110 176.603 -0.442 -4.801 254 H THR 111 H THR 111 172.314 -1.597 -5.856 255 HA THR 111 HA THR 111 172.835 -0.656 -8.500 256 HB THR 111 HB THR 111 170.908 -2.824 -7.624 257 HG1 THR 111 HG1 THR 111 172.830 -4.126 -7.709 258 1HG2 THR 111 1HG2 THR 111 171.902 -3.894 -9.736 259 2HG2 THR 111 2HG2 THR 111 172.527 -2.289 -10.116 260 3HG2 THR 111 3HG2 THR 111 170.787 -2.549 -9.979 261 H GLY 112 H GLY 112 170.050 -0.360 -6.425 262 1HA GLY 112 2HA GLY 112 168.235 0.470 -8.591 263 2HA GLY 112 1HA GLY 112 167.817 0.328 -6.885 264 H LEU 113 H LEU 113 170.534 1.924 -6.498 265 HA LEU 113 HA LEU 113 169.203 4.556 -6.402 266 1HB LEU 113 2HB LEU 113 170.763 3.081 -4.707 267 2HB LEU 113 1HB LEU 113 171.967 4.149 -5.423 268 HG LEU 113 HG LEU 113 171.016 5.146 -3.381 269 1HD1 LEU 113 1HD1 LEU 113 169.993 6.586 -5.843 270 2HD1 LEU 113 2HD1 LEU 113 171.673 6.607 -5.304 271 3HD1 LEU 113 3HD1 LEU 113 170.411 7.311 -4.292 272 1HD2 LEU 113 1HD2 LEU 113 168.732 3.927 -3.905 273 2HD2 LEU 113 2HD2 LEU 113 168.358 5.435 -4.739 274 3HD2 LEU 113 3HD2 LEU 113 168.741 5.451 -3.018 275 H GLY 114 H GLY 114 170.892 3.081 -8.839 276 1HA GLY 114 2HA GLY 114 171.673 4.360 -10.766 277 2HA GLY 114 1HA GLY 114 172.165 5.648 -9.663 278 H GLU 115 H GLU 115 172.729 2.270 -9.086 279 HA GLU 115 HA GLU 115 175.691 2.733 -9.334 280 1HB GLU 115 2HB GLU 115 174.578 2.258 -7.061 281 2HB GLU 115 1HB GLU 115 174.326 0.620 -7.664 282 1HG GLU 115 2HG GLU 115 176.396 0.431 -6.586 283 2HG GLU 115 1HG GLU 115 176.873 0.724 -8.257 284 H LYS 116 H LYS 116 176.550 1.656 -11.088 285 HA LYS 116 HA LYS 116 175.322 -0.963 -11.802 286 1HB LYS 116 2HB LYS 116 176.473 1.170 -13.651 287 2HB LYS 116 1HB LYS 116 175.834 -0.385 -14.186 288 1HG LYS 116 2HG LYS 116 173.624 0.198 -13.260 289 2HG LYS 116 1HG LYS 116 174.258 1.756 -12.726 290 1HD LYS 116 2HD LYS 116 174.782 2.345 -15.067 291 2HD LYS 116 1HD LYS 116 174.138 0.792 -15.599 292 1HE LYS 116 2HE LYS 116 171.988 1.577 -14.253 293 2HE LYS 116 1HE LYS 116 172.666 3.189 -14.558 294 1HZ LYS 116 1HZ LYS 116 172.863 2.651 -16.891 295 2HZ LYS 116 2HZ LYS 116 171.251 2.436 -16.397 296 3HZ LYS 116 3HZ LYS 116 172.261 1.089 -16.623 297 H LEU 117 H LEU 117 177.093 -1.262 -10.051 298 HA LEU 117 HA LEU 117 179.822 -1.566 -11.177 299 1HB LEU 117 2HB LEU 117 178.583 -2.125 -8.457 300 2HB LEU 117 1HB LEU 117 180.306 -2.195 -8.826 301 HG LEU 117 HG LEU 117 178.590 0.279 -9.169 302 1HD1 LEU 117 1HD1 LEU 117 180.631 -0.354 -7.016 303 2HD1 LEU 117 2HD1 LEU 117 178.884 -0.431 -6.781 304 3HD1 LEU 117 3HD1 LEU 117 179.657 1.110 -7.148 305 1HD2 LEU 117 1HD2 LEU 117 181.502 -0.383 -9.561 306 2HD2 LEU 117 2HD2 LEU 117 181.019 1.261 -9.144 307 3HD2 LEU 117 3HD2 LEU 117 180.418 0.515 -10.624 308 H THR 118 H THR 118 180.762 -3.687 -11.403 309 HA THR 118 HA THR 118 178.751 -5.912 -11.489 310 HB THR 118 HB THR 118 180.548 -6.834 -13.119 311 HG1 THR 118 HG1 THR 118 182.109 -5.250 -12.421 312 1HG2 THR 118 1HG2 THR 118 179.532 -5.705 -14.952 313 2HG2 THR 118 2HG2 THR 118 179.212 -4.266 -13.983 314 3HG2 THR 118 3HG2 THR 118 178.302 -5.748 -13.689 315 H ASP 119 H ASP 119 179.267 -7.839 -10.323 316 HA ASP 119 HA ASP 119 180.733 -7.950 -8.046 317 1HB ASP 119 2HB ASP 119 179.270 -9.692 -9.157 318 2HB ASP 119 1HB ASP 119 180.692 -10.197 -10.070 319 H ALA 120 H ALA 120 182.177 -8.112 -11.270 320 HA ALA 120 HA ALA 120 184.790 -9.110 -10.579 321 1HB ALA 120 1HB ALA 120 183.718 -7.239 -12.711 322 2HB ALA 120 2HB ALA 120 184.050 -8.963 -12.870 323 3HB ALA 120 3HB ALA 120 185.382 -7.820 -12.692 324 H GLU 121 H GLU 121 183.593 -5.749 -10.976 325 HA GLU 121 HA GLU 121 186.012 -4.566 -9.850 326 1HB GLU 121 2HB GLU 121 183.275 -3.623 -10.706 327 2HB GLU 121 1HB GLU 121 184.417 -2.518 -9.943 328 1HG GLU 121 2HG GLU 121 185.025 -2.205 -12.146 329 2HG GLU 121 1HG GLU 121 186.073 -3.569 -11.757 330 H VAL 122 H VAL 122 182.678 -5.108 -8.709 331 HA VAL 122 HA VAL 122 182.877 -3.841 -6.149 332 HB VAL 122 HB VAL 122 181.271 -6.262 -7.043 333 1HG1 VAL 122 1HG1 VAL 122 179.663 -5.405 -5.283 334 2HG1 VAL 122 2HG1 VAL 122 180.937 -4.309 -4.746 335 3HG1 VAL 122 3HG1 VAL 122 181.171 -6.055 -4.637 336 1HG2 VAL 122 1HG2 VAL 122 180.812 -4.450 -8.547 337 2HG2 VAL 122 2HG2 VAL 122 180.787 -3.279 -7.229 338 3HG2 VAL 122 3HG2 VAL 122 179.490 -4.464 -7.381 339 H ASP 123 H ASP 123 183.807 -7.122 -7.188 340 HA ASP 123 HA ASP 123 184.266 -8.164 -4.555 341 1HB ASP 123 2HB ASP 123 184.078 -9.528 -6.621 342 2HB ASP 123 1HB ASP 123 185.580 -8.824 -7.221 343 H GLU 124 H GLU 124 186.317 -6.356 -6.807 344 HA GLU 124 HA GLU 124 188.812 -6.522 -5.412 345 1HB GLU 124 2HB GLU 124 187.529 -4.377 -7.132 346 2HB GLU 124 1HB GLU 124 189.223 -4.351 -6.645 347 1HG GLU 124 2HG GLU 124 188.067 -6.789 -7.980 348 2HG GLU 124 1HG GLU 124 188.604 -5.415 -8.946 349 H LEU 125 H LEU 125 186.165 -4.130 -5.176 350 HA LEU 125 HA LEU 125 187.320 -2.452 -3.175 351 1HB LEU 125 2HB LEU 125 184.889 -2.741 -4.632 352 2HB LEU 125 1HB LEU 125 184.445 -2.652 -2.931 353 HG LEU 125 HG LEU 125 184.528 -0.403 -3.930 354 1HD1 LEU 125 1HD1 LEU 125 185.624 0.605 -2.149 355 2HD1 LEU 125 2HD1 LEU 125 186.980 -0.520 -2.210 356 3HD1 LEU 125 3HD1 LEU 125 185.438 -1.034 -1.526 357 1HD2 LEU 125 1HD2 LEU 125 186.434 0.483 -4.987 358 2HD2 LEU 125 2HD2 LEU 125 186.395 -1.178 -5.581 359 3HD2 LEU 125 3HD2 LEU 125 187.503 -0.732 -4.284 360 H LEU 126 H LEU 126 184.999 -5.150 -2.876 361 HA LEU 126 HA LEU 126 184.732 -5.209 -0.048 362 1HB LEU 126 2HB LEU 126 184.480 -7.199 -2.292 363 2HB LEU 126 1HB LEU 126 184.217 -7.701 -0.621 364 HG LEU 126 HG LEU 126 182.836 -5.259 -1.720 365 1HD1 LEU 126 1HD1 LEU 126 181.936 -8.147 -1.944 366 2HD1 LEU 126 2HD1 LEU 126 182.277 -7.047 -3.279 367 3HD1 LEU 126 3HD1 LEU 126 180.893 -6.753 -2.226 368 1HD2 LEU 126 1HD2 LEU 126 181.601 -5.373 0.206 369 2HD2 LEU 126 2HD2 LEU 126 182.988 -6.285 0.798 370 3HD2 LEU 126 3HD2 LEU 126 181.564 -7.137 0.201 371 H LYS 127 H LYS 127 187.387 -6.219 -2.070 372 HA LYS 127 HA LYS 127 188.572 -8.296 -0.615 373 1HB LYS 127 2HB LYS 127 189.242 -7.397 -2.831 374 2HB LYS 127 1HB LYS 127 189.927 -5.983 -2.028 375 1HG LYS 127 2HG LYS 127 191.498 -7.398 -0.799 376 2HG LYS 127 1HG LYS 127 190.777 -8.846 -1.502 377 1HD LYS 127 2HD LYS 127 192.654 -8.468 -2.870 378 2HD LYS 127 1HD LYS 127 191.335 -7.744 -3.791 379 1HE LYS 127 2HE LYS 127 191.915 -5.516 -2.926 380 2HE LYS 127 1HE LYS 127 193.211 -6.224 -1.940 381 1HZ LYS 127 1HZ LYS 127 194.095 -7.208 -4.036 382 2HZ LYS 127 2HZ LYS 127 194.183 -5.512 -3.978 383 3HZ LYS 127 3HZ LYS 127 192.975 -6.272 -4.899 384 H GLY 128 H GLY 128 188.361 -4.891 0.208 385 1HA GLY 128 2HA GLY 128 190.273 -5.313 2.467 386 2HA GLY 128 1HA GLY 128 189.981 -3.748 1.711 387 H VAL 129 H VAL 129 186.961 -4.810 1.687 388 HA VAL 129 HA VAL 129 186.156 -3.316 4.035 389 HB VAL 129 HB VAL 129 184.651 -5.244 2.221 390 1HG1 VAL 129 1HG1 VAL 129 183.356 -4.883 4.216 391 2HG1 VAL 129 2HG1 VAL 129 182.671 -3.840 2.970 392 3HG1 VAL 129 3HG1 VAL 129 183.722 -3.158 4.212 393 1HG2 VAL 129 1HG2 VAL 129 183.867 -2.991 1.236 394 2HG2 VAL 129 2HG2 VAL 129 185.506 -3.509 0.846 395 3HG2 VAL 129 3HG2 VAL 129 185.241 -2.283 2.086 396 H GLU 130 H GLU 130 185.906 -3.962 6.035 397 HA GLU 130 HA GLU 130 186.339 -6.828 6.768 398 1HB GLU 130 2HB GLU 130 187.693 -4.904 7.675 399 2HB GLU 130 1HB GLU 130 186.226 -4.324 8.463 400 1HG GLU 130 2HG GLU 130 187.405 -5.637 10.091 401 2HG GLU 130 1HG GLU 130 186.038 -6.611 9.550 402 H VAL 131 H VAL 131 184.375 -7.870 6.656 403 HA VAL 131 HA VAL 131 181.914 -6.655 7.775 404 HB VAL 131 HB VAL 131 181.897 -7.979 5.684 405 1HG1 VAL 131 1HG1 VAL 131 183.412 -9.872 7.376 406 2HG1 VAL 131 2HG1 VAL 131 183.433 -9.658 5.628 407 3HG1 VAL 131 3HG1 VAL 131 182.161 -10.619 6.382 408 1HG2 VAL 131 1HG2 VAL 131 180.562 -9.753 7.691 409 2HG2 VAL 131 2HG2 VAL 131 179.938 -9.122 6.167 410 3HG2 VAL 131 3HG2 VAL 131 180.055 -8.069 7.577 411 H ASP 132 H ASP 132 180.739 -7.807 9.531 412 HA ASP 132 HA ASP 132 182.629 -8.848 11.567 413 1HB ASP 132 2HB ASP 132 179.752 -7.903 11.566 414 2HB ASP 132 1HB ASP 132 180.552 -8.529 13.007 415 H SER 133 H SER 133 181.368 -10.497 13.093 416 HA SER 133 HA SER 133 181.188 -13.000 11.664 417 1HB SER 133 2HB SER 133 180.517 -13.811 13.964 418 2HB SER 133 1HB SER 133 182.010 -12.877 13.926 419 HG SER 133 HG SER 133 181.078 -11.413 15.108 420 H ASN 134 H ASN 134 178.832 -10.584 11.854 421 HA ASN 134 HA ASN 134 176.565 -12.544 11.766 422 1HB ASN 134 2HB ASN 134 176.608 -10.585 13.400 423 2HB ASN 134 1HB ASN 134 176.535 -9.518 11.996 424 1HD2 ASN 134 1HD2 ASN 134 174.696 -11.880 13.890 425 2HD2 ASN 134 2HD2 ASN 134 173.197 -11.560 13.162 426 H GLY 135 H GLY 135 178.627 -10.805 9.708 427 1HA GLY 135 2HA GLY 135 178.542 -10.729 7.347 428 2HA GLY 135 1HA GLY 135 176.915 -11.406 7.416 429 H GLU 136 H GLU 136 177.640 -8.632 9.380 430 HA GLU 136 HA GLU 136 175.909 -6.967 7.585 431 1HB GLU 136 2HB GLU 136 176.469 -6.977 10.564 432 2HB GLU 136 1HB GLU 136 175.521 -5.723 9.763 433 1HG GLU 136 2HG GLU 136 173.996 -7.503 8.887 434 2HG GLU 136 1HG GLU 136 174.894 -8.688 9.838 435 H ILE 137 H ILE 137 176.543 -4.912 7.050 436 HA ILE 137 HA ILE 137 179.272 -4.007 7.894 437 HB ILE 137 HB ILE 137 178.018 -4.210 5.133 438 1HG1 ILE 137 2HG1 ILE 137 180.496 -5.269 4.939 439 2HG1 ILE 137 1HG1 ILE 137 180.186 -5.577 6.648 440 1HG2 ILE 137 1HG2 ILE 137 179.106 -2.057 5.163 441 2HG2 ILE 137 2HG2 ILE 137 180.195 -3.175 4.339 442 3HG2 ILE 137 3HG2 ILE 137 180.504 -2.715 6.014 443 1HD1 ILE 137 1HD1 ILE 137 178.566 -7.119 6.207 444 2HD1 ILE 137 2HD1 ILE 137 179.373 -7.229 4.644 445 3HD1 ILE 137 3HD1 ILE 137 177.941 -6.216 4.827 446 H ASP 138 H ASP 138 179.501 -1.569 7.338 447 HA ASP 138 HA ASP 138 177.010 -0.192 8.198 448 1HB ASP 138 2HB ASP 138 179.219 0.108 9.347 449 2HB ASP 138 1HB ASP 138 179.862 0.803 7.859 450 H TYR 139 H TYR 139 175.739 0.600 6.560 451 HA TYR 139 HA TYR 139 176.534 0.825 3.818 452 1HB TYR 139 2HB TYR 139 174.321 1.774 3.546 453 2HB TYR 139 1HB TYR 139 174.237 0.479 4.734 454 HD1 TYR 139 HD1 TYR 139 174.094 4.117 4.202 455 HD2 TYR 139 HD2 TYR 139 173.856 0.963 7.108 456 HE1 TYR 139 HE1 TYR 139 173.136 5.705 5.847 457 HE2 TYR 139 HE2 TYR 139 172.901 2.553 8.750 458 HH TYR 139 HH TYR 139 173.140 5.649 8.671 459 H LYS 140 H LYS 140 176.254 3.281 6.393 460 HA LYS 140 HA LYS 140 176.657 5.560 4.737 461 1HB LYS 140 2HB LYS 140 176.347 4.907 7.505 462 2HB LYS 140 1HB LYS 140 177.740 5.977 7.374 463 1HG LYS 140 2HG LYS 140 176.368 7.568 6.049 464 2HG LYS 140 1HG LYS 140 174.973 6.509 6.257 465 1HD LYS 140 2HD LYS 140 174.786 6.972 8.531 466 2HD LYS 140 1HD LYS 140 176.487 7.414 8.684 467 1HE LYS 140 2HE LYS 140 176.101 9.507 7.480 468 2HE LYS 140 1HE LYS 140 174.409 9.055 7.189 469 1HZ LYS 140 1HZ LYS 140 174.760 10.483 9.191 470 2HZ LYS 140 2HZ LYS 140 175.627 9.201 9.891 471 3HZ LYS 140 3HZ LYS 140 173.983 9.010 9.511 472 H LYS 141 H LYS 141 178.929 3.498 6.513 473 HA LYS 141 HA LYS 141 181.305 5.042 6.005 474 1HB LYS 141 2HB LYS 141 180.763 2.144 6.691 475 2HB LYS 141 1HB LYS 141 182.389 2.825 6.632 476 1HG LYS 141 2HG LYS 141 180.185 4.050 8.300 477 2HG LYS 141 1HG LYS 141 181.268 2.809 8.931 478 1HD LYS 141 2HD LYS 141 183.214 4.232 8.359 479 2HD LYS 141 1HD LYS 141 182.116 5.483 7.777 480 1HE LYS 141 2HE LYS 141 182.303 6.262 9.934 481 2HE LYS 141 1HE LYS 141 181.085 5.016 10.272 482 1HZ LYS 141 1HZ LYS 141 182.965 3.423 10.521 483 2HZ LYS 141 2HZ LYS 141 182.918 4.626 11.720 484 3HZ LYS 141 3HZ LYS 141 184.036 4.736 10.445 485 H PHE 142 H PHE 142 179.902 2.207 4.333 486 HA PHE 142 HA PHE 142 182.040 1.984 2.431 487 1HB PHE 142 2HB PHE 142 180.337 0.230 3.149 488 2HB PHE 142 1HB PHE 142 179.161 1.066 2.135 489 HD1 PHE 142 HD1 PHE 142 178.792 -0.096 0.154 490 HD2 PHE 142 HD2 PHE 142 182.787 0.182 1.707 491 HE1 PHE 142 HE1 PHE 142 179.650 -1.325 -1.828 492 HE2 PHE 142 HE2 PHE 142 183.644 -1.043 -0.272 493 HZ PHE 142 HZ PHE 142 182.077 -1.798 -2.037 494 H ILE 143 H ILE 143 179.094 3.896 2.529 495 HA ILE 143 HA ILE 143 179.134 4.652 -0.312 496 HB ILE 143 HB ILE 143 177.722 5.566 2.221 497 1HG1 ILE 143 2HG1 ILE 143 176.459 4.381 -0.239 498 2HG1 ILE 143 1HG1 ILE 143 177.210 3.338 0.971 499 1HG2 ILE 143 1HG2 ILE 143 177.336 6.573 -0.613 500 2HG2 ILE 143 2HG2 ILE 143 177.910 7.516 0.762 501 3HG2 ILE 143 3HG2 ILE 143 176.251 6.918 0.734 502 1HD1 ILE 143 1HD1 ILE 143 175.755 4.898 2.608 503 2HD1 ILE 143 2HD1 ILE 143 175.102 3.430 1.881 504 3HD1 ILE 143 3HD1 ILE 143 174.748 5.001 1.163 505 H GLU 144 H GLU 144 180.060 6.227 2.769 506 HA GLU 144 HA GLU 144 181.012 8.666 1.628 507 1HB GLU 144 2HB GLU 144 181.750 7.095 4.115 508 2HB GLU 144 1HB GLU 144 182.296 8.745 3.812 509 1HG GLU 144 2HG GLU 144 179.368 8.084 3.638 510 2HG GLU 144 1HG GLU 144 180.112 8.362 5.212 511 H ASP 145 H ASP 145 182.528 5.480 1.913 512 HA ASP 145 HA ASP 145 185.156 6.558 1.110 513 1HB ASP 145 2HB ASP 145 184.621 4.634 2.801 514 2HB ASP 145 1HB ASP 145 184.401 3.643 1.358 515 H VAL 146 H VAL 146 182.350 5.465 -0.499 516 HA VAL 146 HA VAL 146 183.868 4.639 -2.928 517 HB VAL 146 HB VAL 146 180.949 4.617 -2.073 518 1HG1 VAL 146 1HG1 VAL 146 180.622 4.916 -4.351 519 2HG1 VAL 146 2HG1 VAL 146 180.856 3.169 -4.311 520 3HG1 VAL 146 3HG1 VAL 146 182.190 4.226 -4.771 521 1HG2 VAL 146 1HG2 VAL 146 182.625 2.273 -2.943 522 2HG2 VAL 146 2HG2 VAL 146 181.205 2.292 -1.895 523 3HG2 VAL 146 3HG2 VAL 146 182.750 2.894 -1.296 524 H LEU 147 H LEU 147 181.674 7.075 -1.663 525 HA LEU 147 HA LEU 147 181.219 8.716 -3.959 526 1HB LEU 147 2HB LEU 147 181.168 8.929 -1.009 527 2HB LEU 147 1HB LEU 147 181.363 10.462 -1.861 528 HG LEU 147 HG LEU 147 179.393 9.803 -3.305 529 1HD1 LEU 147 1HD1 LEU 147 178.848 7.768 -1.145 530 2HD1 LEU 147 2HD1 LEU 147 179.671 7.332 -2.641 531 3HD1 LEU 147 3HD1 LEU 147 178.026 7.963 -2.691 532 1HD2 LEU 147 1HD2 LEU 147 177.784 9.967 -1.156 533 2HD2 LEU 147 2HD2 LEU 147 178.707 11.350 -1.742 534 3HD2 LEU 147 3HD2 LEU 147 179.310 10.399 -0.384 535 H ARG 148 H ARG 148 184.135 8.275 -2.104 536 HA ARG 148 HA ARG 148 185.491 10.721 -2.566 537 1HB ARG 148 2HB ARG 148 186.411 7.839 -2.389 538 2HB ARG 148 1HB ARG 148 187.527 9.207 -2.386 539 1HG ARG 148 2HG ARG 148 186.393 10.130 -0.398 540 2HG ARG 148 1HG ARG 148 185.280 8.762 -0.397 541 1HD ARG 148 2HD ARG 148 187.187 7.207 -0.084 542 2HD ARG 148 1HD ARG 148 188.298 8.593 -0.054 543 HE ARG 148 HE ARG 148 186.388 7.874 2.069 544 1HH1 ARG 148 2HH1 ARG 148 189.321 8.980 2.113 545 2HH1 ARG 148 1HH1 ARG 148 189.039 10.515 2.865 546 1HH2 ARG 148 1HH2 ARG 148 185.605 10.415 2.391 547 2HH2 ARG 148 2HH2 ARG 148 186.936 11.327 3.022 548 H GLN 149 HN GLN 149 186.593 11.541 -4.361 549 HA GLN 149 HA GLN 149 186.539 9.885 -6.867 550 1HB GLN 149 2HB GLN 149 184.953 11.825 -6.738 551 2HB GLN 149 1HB GLN 149 186.341 12.896 -6.538 552 1HG GLN 149 2HG GLN 149 187.229 12.211 -8.708 553 2HG GLN 149 1HG GLN 149 185.919 11.047 -8.904 554 1HE2 GLN 149 1HE2 GLN 149 186.378 13.227 -10.759 555 2HE2 GLN 149 2HE2 GLN 149 185.042 14.270 -10.668 Start of MODEL 13 1 1H LYS 80 H LYS 80 175.503 17.541 -9.415 2 HA LYS 80 HA LYS 80 176.744 15.103 -9.496 3 1HB LYS 80 2HB LYS 80 178.014 16.960 -7.504 4 2HB LYS 80 1HB LYS 80 177.986 15.229 -7.168 5 1HG LYS 80 2HG LYS 80 179.069 14.784 -9.341 6 2HG LYS 80 1HG LYS 80 179.104 16.517 -9.676 7 1HD LYS 80 2HD LYS 80 180.755 16.930 -8.106 8 2HD LYS 80 1HD LYS 80 180.299 15.548 -7.109 9 1HE LYS 80 2HE LYS 80 181.073 14.206 -9.308 10 2HE LYS 80 1HE LYS 80 182.095 15.646 -9.490 11 1HZ LYS 80 1HZ LYS 80 183.050 13.851 -8.042 12 2HZ LYS 80 2HZ LYS 80 181.807 14.175 -6.930 13 3HZ LYS 80 3HZ LYS 80 182.943 15.378 -7.313 14 H ALA 81 H ALA 81 176.493 13.907 -7.123 15 HA ALA 81 HA ALA 81 173.666 14.453 -6.262 16 1HB ALA 81 1HB ALA 81 175.280 11.931 -5.906 17 2HB ALA 81 2HB ALA 81 174.485 12.298 -7.437 18 3HB ALA 81 3HB ALA 81 173.527 12.113 -5.968 19 H LYS 82 H LYS 82 173.208 14.112 -3.944 20 HA LYS 82 HA LYS 82 175.565 14.767 -2.200 21 1HB LYS 82 2HB LYS 82 172.576 15.209 -1.899 22 2HB LYS 82 1HB LYS 82 173.803 15.736 -0.746 23 1HG LYS 82 2HG LYS 82 174.847 17.136 -2.490 24 2HG LYS 82 1HG LYS 82 173.620 16.614 -3.644 25 1HD LYS 82 2HD LYS 82 171.858 17.584 -2.215 26 2HD LYS 82 1HD LYS 82 173.083 18.111 -1.062 27 1HE LYS 82 2HE LYS 82 174.139 19.253 -3.230 28 2HE LYS 82 1HE LYS 82 172.452 19.202 -3.777 29 1HZ LYS 82 1HZ LYS 82 173.468 20.346 -1.231 30 2HZ LYS 82 2HZ LYS 82 171.820 20.133 -1.585 31 3HZ LYS 82 3HZ LYS 82 172.762 21.198 -2.516 32 H THR 83 H THR 83 175.549 13.886 -0.077 33 HA THR 83 HA THR 83 175.434 11.081 0.120 34 HB THR 83 HB THR 83 174.878 12.933 2.447 35 HG1 THR 83 HG1 THR 83 177.081 13.407 2.430 36 1HG2 THR 83 1HG2 THR 83 175.884 10.203 2.062 37 2HG2 THR 83 2HG2 THR 83 175.231 10.968 3.511 38 3HG2 THR 83 3HG2 THR 83 176.928 11.188 3.088 39 H GLU 84 H GLU 84 172.910 13.454 0.652 40 HA GLU 84 HA GLU 84 170.899 12.042 1.993 41 1HB GLU 84 2HB GLU 84 170.833 13.995 -0.329 42 2HB GLU 84 1HB GLU 84 169.383 13.522 0.568 43 1HG GLU 84 2HG GLU 84 170.625 14.229 2.687 44 2HG GLU 84 1HG GLU 84 171.822 14.968 1.623 45 H ASP 85 H ASP 85 171.808 11.813 -1.431 46 HA ASP 85 HA ASP 85 169.608 10.258 -2.383 47 1HB ASP 85 2HB ASP 85 171.428 11.406 -3.704 48 2HB ASP 85 1HB ASP 85 172.526 10.118 -3.212 49 H PHE 86 H PHE 86 172.800 9.189 -1.176 50 HA PHE 86 HA PHE 86 172.074 6.365 -1.204 51 1HB PHE 86 2HB PHE 86 174.382 8.090 -0.668 52 2HB PHE 86 1HB PHE 86 174.306 6.708 0.424 53 HD1 PHE 86 HD1 PHE 86 175.528 7.765 -2.674 54 HD2 PHE 86 HD2 PHE 86 173.555 4.430 -0.827 55 HE1 PHE 86 HE1 PHE 86 176.351 6.280 -4.480 56 HE2 PHE 86 HE2 PHE 86 174.375 2.944 -2.631 57 HZ PHE 86 HZ PHE 86 175.774 3.868 -4.460 58 H VAL 87 H VAL 87 172.343 8.873 1.337 59 HA VAL 87 HA VAL 87 172.014 7.220 3.591 60 HB VAL 87 HB VAL 87 171.084 10.058 3.049 61 1HG1 VAL 87 1HG1 VAL 87 170.003 9.344 5.068 62 2HG1 VAL 87 2HG1 VAL 87 171.417 10.270 5.570 63 3HG1 VAL 87 3HG1 VAL 87 171.451 8.507 5.625 64 1HG2 VAL 87 1HG2 VAL 87 173.535 9.388 4.608 65 2HG2 VAL 87 2HG2 VAL 87 173.239 10.728 3.502 66 3HG2 VAL 87 3HG2 VAL 87 173.606 9.125 2.866 67 H LYS 88 H LYS 88 169.489 9.060 1.818 68 HA LYS 88 HA LYS 88 167.222 8.096 3.246 69 1HB LYS 88 2HB LYS 88 167.415 10.038 1.626 70 2HB LYS 88 1HB LYS 88 167.381 8.858 0.314 71 1HG LYS 88 2HG LYS 88 165.191 8.053 1.051 72 2HG LYS 88 1HG LYS 88 165.229 9.152 2.430 73 1HD LYS 88 2HD LYS 88 165.411 11.066 0.798 74 2HD LYS 88 1HD LYS 88 165.135 9.907 -0.502 75 1HE LYS 88 2HE LYS 88 162.906 9.721 -0.024 76 2HE LYS 88 1HE LYS 88 163.183 9.775 1.729 77 1HZ LYS 88 1HZ LYS 88 163.512 12.110 -0.076 78 2HZ LYS 88 2HZ LYS 88 163.581 12.110 1.622 79 3HZ LYS 88 3HZ LYS 88 162.109 11.812 0.828 80 H ALA 89 H ALA 89 168.988 6.744 0.502 81 HA ALA 89 HA ALA 89 167.133 4.736 -0.325 82 1HB ALA 89 1HB ALA 89 169.489 5.637 -1.199 83 2HB ALA 89 2HB ALA 89 168.918 4.023 -1.620 84 3HB ALA 89 3HB ALA 89 170.082 4.233 -0.311 85 H PHE 90 H PHE 90 169.929 4.364 1.918 86 HA PHE 90 HA PHE 90 169.094 1.681 2.664 87 1HB PHE 90 2HB PHE 90 171.194 3.668 3.506 88 2HB PHE 90 1HB PHE 90 170.977 2.169 4.410 89 HD1 PHE 90 HD1 PHE 90 171.802 3.594 1.076 90 HD2 PHE 90 HD2 PHE 90 171.628 0.051 3.501 91 HE1 PHE 90 HE1 PHE 90 173.096 2.356 -0.637 92 HE2 PHE 90 HE2 PHE 90 172.923 -1.183 1.790 93 HZ PHE 90 HZ PHE 90 173.656 -0.033 -0.281 94 H GLN 91 H GLN 91 169.332 4.734 4.525 95 HA GLN 91 HA GLN 91 168.315 3.946 6.968 96 1HB GLN 91 2HB GLN 91 168.046 6.477 5.359 97 2HB GLN 91 1HB GLN 91 167.397 6.372 6.996 98 1HG GLN 91 2HG GLN 91 169.679 5.577 7.749 99 2HG GLN 91 1HG GLN 91 170.274 5.976 6.139 100 1HE2 GLN 91 1HE2 GLN 91 171.540 7.435 7.982 101 2HE2 GLN 91 2HE2 GLN 91 170.920 9.009 8.118 102 H VAL 92 H VAL 92 166.263 4.809 4.126 103 HA VAL 92 HA VAL 92 163.787 4.786 5.508 104 HB VAL 92 HB VAL 92 164.562 4.089 2.652 105 1HG1 VAL 92 1HG1 VAL 92 162.017 4.839 2.360 106 2HG1 VAL 92 2HG1 VAL 92 161.883 4.177 3.989 107 3HG1 VAL 92 3HG1 VAL 92 162.441 3.154 2.664 108 1HG2 VAL 92 1HG2 VAL 92 164.835 6.447 3.825 109 2HG2 VAL 92 2HG2 VAL 92 163.099 6.553 3.536 110 3HG2 VAL 92 3HG2 VAL 92 164.207 6.339 2.181 111 H PHE 93 H PHE 93 165.677 2.121 4.115 112 HA PHE 93 HA PHE 93 163.709 0.037 4.595 113 1HB PHE 93 2HB PHE 93 165.826 0.113 3.072 114 2HB PHE 93 1HB PHE 93 166.712 -0.309 4.535 115 HD1 PHE 93 HD1 PHE 93 165.138 -1.641 1.728 116 HD2 PHE 93 HD2 PHE 93 165.512 -2.285 5.956 117 HE1 PHE 93 HE1 PHE 93 164.494 -4.017 1.421 118 HE2 PHE 93 HE2 PHE 93 164.869 -4.660 5.652 119 HZ PHE 93 HZ PHE 93 164.359 -5.527 3.385 120 H ASP 94 H ASP 94 166.609 1.184 6.389 121 HA ASP 94 HA ASP 94 166.373 -0.635 8.584 122 1HB ASP 94 2HB ASP 94 168.187 1.156 7.721 123 2HB ASP 94 1HB ASP 94 167.441 2.120 8.996 124 H LYS 95 H LYS 95 163.989 -0.525 8.971 125 HA LYS 95 HA LYS 95 162.581 1.798 9.813 126 1HB LYS 95 2HB LYS 95 162.271 -1.116 10.609 127 2HB LYS 95 1HB LYS 95 161.032 0.124 10.802 128 1HG LYS 95 2HG LYS 95 161.446 0.515 8.228 129 2HG LYS 95 1HG LYS 95 162.080 -1.130 8.287 130 1HD LYS 95 2HD LYS 95 159.888 -1.701 9.555 131 2HD LYS 95 1HD LYS 95 159.294 -0.169 8.916 132 1HE LYS 95 2HE LYS 95 159.421 -0.903 6.683 133 2HE LYS 95 1HE LYS 95 160.569 -2.198 7.079 134 1HZ LYS 95 1HZ LYS 95 158.429 -3.191 6.860 135 2HZ LYS 95 2HZ LYS 95 157.710 -2.027 7.867 136 3HZ LYS 95 3HZ LYS 95 158.797 -3.160 8.515 137 H GLU 96 H GLU 96 164.522 -0.545 11.715 138 HA GLU 96 HA GLU 96 163.965 0.939 14.212 139 1HB GLU 96 2HB GLU 96 165.630 -1.513 13.556 140 2HB GLU 96 1HB GLU 96 165.264 -0.944 15.185 141 1HG GLU 96 2HG GLU 96 162.768 -1.059 14.347 142 2HG GLU 96 1HG GLU 96 163.430 -2.176 13.153 143 H SER 97 H SER 97 165.733 1.988 11.848 144 HA SER 97 HA SER 97 167.808 2.994 11.520 145 1HB SER 97 2HB SER 97 167.947 4.820 13.031 146 2HB SER 97 1HB SER 97 166.247 4.362 13.014 147 HG SER 97 HG SER 97 168.031 4.333 15.050 148 H THR 98 H THR 98 168.334 0.276 12.528 149 HA THR 98 HA THR 98 170.203 0.310 14.717 150 HB THR 98 HB THR 98 170.839 -1.903 13.810 151 HG1 THR 98 HG1 THR 98 169.203 -1.244 11.597 152 1HG2 THR 98 1HG2 THR 98 168.765 -2.934 14.114 153 2HG2 THR 98 2HG2 THR 98 167.895 -1.654 13.269 154 3HG2 THR 98 3HG2 THR 98 168.517 -1.372 14.894 155 H GLY 99 H GLY 99 170.560 0.835 11.239 156 1HA GLY 99 2HA GLY 99 172.264 2.229 10.265 157 2HA GLY 99 1HA GLY 99 173.213 2.055 11.738 158 H LYS 100 H LYS 100 171.942 -0.931 10.572 159 HA LYS 100 HA LYS 100 174.528 -1.528 9.184 160 1HB LYS 100 2HB LYS 100 173.107 -2.887 11.457 161 2HB LYS 100 1HB LYS 100 174.156 -3.825 10.393 162 1HG LYS 100 2HG LYS 100 175.919 -1.990 10.812 163 2HG LYS 100 1HG LYS 100 174.891 -1.487 12.155 164 1HD LYS 100 2HD LYS 100 175.095 -3.622 13.227 165 2HD LYS 100 1HD LYS 100 175.854 -4.332 11.802 166 1HE LYS 100 2HE LYS 100 177.694 -2.522 12.134 167 2HE LYS 100 1HE LYS 100 177.031 -2.374 13.774 168 1HZ LYS 100 1HZ LYS 100 177.714 -4.981 12.530 169 2HZ LYS 100 2HZ LYS 100 177.339 -4.673 14.159 170 3HZ LYS 100 3HZ LYS 100 178.802 -4.115 13.502 171 H VAL 101 H VAL 101 174.342 -3.266 7.580 172 HA VAL 101 HA VAL 101 171.651 -4.353 7.026 173 HB VAL 101 HB VAL 101 171.760 -3.498 4.663 174 1HG1 VAL 101 1HG1 VAL 101 171.023 -1.295 5.176 175 2HG1 VAL 101 2HG1 VAL 101 172.053 -1.200 6.605 176 3HG1 VAL 101 3HG1 VAL 101 170.638 -2.252 6.607 177 1HG2 VAL 101 1HG2 VAL 101 174.177 -3.238 4.457 178 2HG2 VAL 101 2HG2 VAL 101 174.188 -2.028 5.741 179 3HG2 VAL 101 3HG2 VAL 101 173.409 -1.671 4.198 180 H SER 102 H SER 102 171.756 -6.114 5.395 181 HA SER 102 HA SER 102 174.238 -7.671 5.629 182 1HB SER 102 2HB SER 102 172.775 -9.268 4.255 183 2HB SER 102 1HB SER 102 172.157 -8.819 5.841 184 HG SER 102 HG SER 102 170.580 -7.759 4.918 185 H VAL 103 H VAL 103 175.650 -8.149 3.921 186 HA VAL 103 HA VAL 103 176.079 -6.264 1.854 187 HB VAL 103 HB VAL 103 177.734 -7.863 2.745 188 1HG1 VAL 103 1HG1 VAL 103 177.603 -10.183 2.441 189 2HG1 VAL 103 2HG1 VAL 103 176.458 -10.041 1.106 190 3HG1 VAL 103 3HG1 VAL 103 175.923 -9.750 2.762 191 1HG2 VAL 103 1HG2 VAL 103 177.144 -7.981 -0.218 192 2HG2 VAL 103 2HG2 VAL 103 178.588 -8.716 0.477 193 3HG2 VAL 103 3HG2 VAL 103 178.329 -6.977 0.616 194 H GLY 104 H GLY 104 174.246 -9.344 1.758 195 1HA GLY 104 2HA GLY 104 173.806 -9.434 -1.042 196 2HA GLY 104 1HA GLY 104 172.747 -10.162 0.164 197 H ASP 105 H ASP 105 171.971 -7.793 1.531 198 HA ASP 105 HA ASP 105 169.933 -6.789 -0.322 199 1HB ASP 105 2HB ASP 105 169.720 -7.387 2.169 200 2HB ASP 105 1HB ASP 105 170.552 -5.865 2.490 201 H LEU 106 H LEU 106 172.793 -5.495 1.346 202 HA LEU 106 HA LEU 106 172.490 -2.748 0.669 203 1HB LEU 106 2HB LEU 106 174.087 -3.676 2.308 204 2HB LEU 106 1HB LEU 106 174.983 -4.454 1.004 205 HG LEU 106 HG LEU 106 174.530 -1.543 0.669 206 1HD1 LEU 106 1HD1 LEU 106 176.250 -2.697 2.875 207 2HD1 LEU 106 2HD1 LEU 106 175.003 -1.457 3.013 208 3HD1 LEU 106 3HD1 LEU 106 176.524 -1.092 2.197 209 1HD2 LEU 106 1HD2 LEU 106 176.647 -1.641 -0.367 210 2HD2 LEU 106 2HD2 LEU 106 175.943 -3.214 -0.744 211 3HD2 LEU 106 3HD2 LEU 106 177.130 -3.067 0.552 212 H ARG 107 H ARG 107 174.334 -5.309 -1.053 213 HA ARG 107 HA ARG 107 175.132 -3.663 -3.261 214 1HB ARG 107 2HB ARG 107 175.975 -5.971 -2.472 215 2HB ARG 107 1HB ARG 107 174.592 -6.644 -3.335 216 1HG ARG 107 2HG ARG 107 175.468 -5.193 -5.335 217 2HG ARG 107 1HG ARG 107 176.992 -5.203 -4.442 218 1HD ARG 107 2HD ARG 107 177.164 -7.580 -4.549 219 2HD ARG 107 1HD ARG 107 175.472 -7.754 -5.055 220 HE ARG 107 HE ARG 107 177.066 -6.085 -6.856 221 1HH1 ARG 107 1HH2 ARG 107 174.706 -8.169 -7.208 222 2HH1 ARG 107 2HH2 ARG 107 175.491 -9.290 -8.270 223 1HH2 ARG 107 2HH1 ARG 107 178.662 -8.000 -7.718 224 2HH2 ARG 107 1HH1 ARG 107 177.731 -9.195 -8.558 225 H TYR 108 H TYR 108 172.151 -5.427 -2.607 226 HA TYR 108 HA TYR 108 171.138 -5.353 -5.310 227 1HB TYR 108 2HB TYR 108 170.351 -6.850 -3.462 228 2HB TYR 108 1HB TYR 108 169.666 -5.441 -2.651 229 HD1 TYR 108 HD1 TYR 108 169.526 -7.430 -5.805 230 HD2 TYR 108 HD2 TYR 108 167.542 -4.587 -3.269 231 HE1 TYR 108 HE1 TYR 108 167.474 -7.635 -7.181 232 HE2 TYR 108 HE2 TYR 108 165.490 -4.792 -4.646 233 HH TYR 108 HH TYR 108 164.896 -7.247 -6.704 234 H MET 109 H MET 109 170.549 -3.202 -2.490 235 HA MET 109 HA MET 109 168.798 -1.452 -3.899 236 1HB MET 109 2HB MET 109 170.338 -1.512 -1.374 237 2HB MET 109 1HB MET 109 169.881 0.097 -1.932 238 1HG MET 109 2HG MET 109 167.597 -1.552 -2.303 239 2HG MET 109 1HG MET 109 168.238 -1.939 -0.709 240 1HE MET 109 1HE MET 109 168.688 1.942 -2.200 241 2HE MET 109 2HE MET 109 166.949 2.040 -2.454 242 3HE MET 109 3HE MET 109 167.865 0.729 -3.188 243 H LEU 110 H LEU 110 172.339 -1.360 -3.377 244 HA LEU 110 HA LEU 110 172.902 1.209 -4.435 245 1HB LEU 110 2HB LEU 110 174.274 -1.221 -3.745 246 2HB LEU 110 1HB LEU 110 174.865 -0.706 -5.322 247 HG LEU 110 HG LEU 110 174.887 1.675 -4.070 248 1HD1 LEU 110 1HD1 LEU 110 175.112 -0.448 -1.937 249 2HD1 LEU 110 2HD1 LEU 110 174.148 1.028 -1.918 250 3HD1 LEU 110 3HD1 LEU 110 175.901 1.117 -1.752 251 1HD2 LEU 110 1HD2 LEU 110 176.871 -0.525 -4.378 252 2HD2 LEU 110 2HD2 LEU 110 177.326 0.803 -3.312 253 3HD2 LEU 110 3HD2 LEU 110 176.918 1.126 -4.996 254 H THR 111 H THR 111 172.547 -1.919 -6.070 255 HA THR 111 HA THR 111 173.008 -1.070 -8.759 256 HB THR 111 HB THR 111 171.085 -3.208 -7.803 257 HG1 THR 111 HG1 THR 111 172.758 -4.023 -6.861 258 1HG2 THR 111 1HG2 THR 111 170.951 -3.295 -10.098 259 2HG2 THR 111 2HG2 THR 111 172.393 -4.286 -9.875 260 3HG2 THR 111 3HG2 THR 111 172.551 -2.588 -10.324 261 H GLY 112 H GLY 112 170.243 -0.756 -6.646 262 1HA GLY 112 2HA GLY 112 168.392 0.016 -8.802 263 2HA GLY 112 1HA GLY 112 168.007 -0.090 -7.085 264 H LEU 113 H LEU 113 170.693 1.544 -6.757 265 HA LEU 113 HA LEU 113 169.322 4.160 -6.742 266 1HB LEU 113 2HB LEU 113 170.490 3.039 -4.794 267 2HB LEU 113 1HB LEU 113 172.008 3.308 -5.648 268 HG LEU 113 HG LEU 113 171.599 5.736 -5.641 269 1HD1 LEU 113 1HD1 LEU 113 169.636 6.335 -3.920 270 2HD1 LEU 113 2HD1 LEU 113 168.963 4.838 -4.565 271 3HD1 LEU 113 3HD1 LEU 113 169.335 6.178 -5.651 272 1HD2 LEU 113 1HD2 LEU 113 171.677 4.112 -3.153 273 2HD2 LEU 113 2HD2 LEU 113 171.346 5.833 -2.957 274 3HD2 LEU 113 3HD2 LEU 113 172.827 5.308 -3.756 275 H GLY 114 H GLY 114 171.066 2.647 -9.114 276 1HA GLY 114 2HA GLY 114 171.857 3.895 -11.055 277 2HA GLY 114 1HA GLY 114 172.320 5.212 -9.975 278 H GLU 115 H GLU 115 172.931 1.842 -9.357 279 HA GLU 115 HA GLU 115 175.887 2.357 -9.579 280 1HB GLU 115 2HB GLU 115 174.775 1.877 -7.307 281 2HB GLU 115 1HB GLU 115 174.548 0.232 -7.904 282 1HG GLU 115 2HG GLU 115 176.615 0.121 -6.777 283 2HG GLU 115 1HG GLU 115 177.076 0.305 -8.469 284 H LYS 116 H LYS 116 176.773 1.286 -11.318 285 HA LYS 116 HA LYS 116 175.600 -1.358 -12.024 286 1HB LYS 116 2HB LYS 116 176.734 0.780 -13.879 287 2HB LYS 116 1HB LYS 116 176.125 -0.789 -14.408 288 1HG LYS 116 2HG LYS 116 173.911 -0.235 -13.961 289 2HG LYS 116 1HG LYS 116 174.350 0.979 -12.760 290 1HD LYS 116 2HD LYS 116 173.555 2.120 -14.753 291 2HD LYS 116 1HD LYS 116 175.293 2.387 -14.609 292 1HE LYS 116 2HE LYS 116 175.678 0.490 -16.201 293 2HE LYS 116 1HE LYS 116 173.921 0.370 -16.421 294 1HZ LYS 116 1HZ LYS 116 175.433 2.899 -16.759 295 2HZ LYS 116 2HZ LYS 116 173.817 2.594 -17.184 296 3HZ LYS 116 3HZ LYS 116 175.080 1.859 -18.051 297 H LEU 117 H LEU 117 177.361 -1.616 -10.256 298 HA LEU 117 HA LEU 117 180.105 -1.875 -11.351 299 1HB LEU 117 2HB LEU 117 178.845 -2.477 -8.648 300 2HB LEU 117 1HB LEU 117 180.573 -2.503 -8.998 301 HG LEU 117 HG LEU 117 178.857 -0.051 -9.441 302 1HD1 LEU 117 1HD1 LEU 117 180.018 0.734 -7.292 303 2HD1 LEU 117 2HD1 LEU 117 180.393 -0.965 -7.002 304 3HD1 LEU 117 3HD1 LEU 117 178.713 -0.436 -7.093 305 1HD2 LEU 117 1HD2 LEU 117 181.324 -0.621 -10.409 306 2HD2 LEU 117 2HD2 LEU 117 181.770 0.057 -8.844 307 3HD2 LEU 117 3HD2 LEU 117 180.818 1.013 -9.981 308 H THR 118 H THR 118 181.077 -3.980 -11.579 309 HA THR 118 HA THR 118 179.099 -6.233 -11.703 310 HB THR 118 HB THR 118 180.829 -7.138 -13.345 311 HG1 THR 118 HG1 THR 118 182.536 -5.969 -13.757 312 1HG2 THR 118 1HG2 THR 118 179.627 -4.431 -13.991 313 2HG2 THR 118 2HG2 THR 118 178.759 -5.965 -14.058 314 3HG2 THR 118 3HG2 THR 118 180.104 -5.662 -15.159 315 H ASP 119 H ASP 119 179.615 -8.152 -10.532 316 HA ASP 119 HA ASP 119 181.034 -8.253 -8.226 317 1HB ASP 119 2HB ASP 119 179.626 -10.017 -9.370 318 2HB ASP 119 1HB ASP 119 181.072 -10.491 -10.262 319 H ALA 120 H ALA 120 182.542 -8.409 -11.421 320 HA ALA 120 HA ALA 120 185.168 -9.333 -10.668 321 1HB ALA 120 1HB ALA 120 184.478 -9.223 -12.975 322 2HB ALA 120 2HB ALA 120 185.767 -8.036 -12.778 323 3HB ALA 120 3HB ALA 120 184.085 -7.509 -12.836 324 H GLU 121 H GLU 121 183.871 -6.016 -11.096 325 HA GLU 121 HA GLU 121 186.232 -4.744 -9.946 326 1HB GLU 121 2HB GLU 121 183.448 -3.843 -10.732 327 2HB GLU 121 1HB GLU 121 184.681 -2.733 -10.140 328 1HG GLU 121 2HG GLU 121 186.189 -3.420 -11.970 329 2HG GLU 121 1HG GLU 121 184.953 -4.530 -12.567 330 H VAL 122 H VAL 122 182.899 -5.387 -8.841 331 HA VAL 122 HA VAL 122 183.032 -4.088 -6.292 332 HB VAL 122 HB VAL 122 181.499 -6.562 -7.175 333 1HG1 VAL 122 1HG1 VAL 122 181.264 -6.411 -4.815 334 2HG1 VAL 122 2HG1 VAL 122 179.838 -5.584 -5.446 335 3HG1 VAL 122 3HG1 VAL 122 181.210 -4.648 -4.850 336 1HG2 VAL 122 1HG2 VAL 122 179.678 -4.818 -7.558 337 2HG2 VAL 122 2HG2 VAL 122 181.019 -4.769 -8.703 338 3HG2 VAL 122 3HG2 VAL 122 180.935 -3.595 -7.390 339 H ASP 123 H ASP 123 184.093 -7.343 -7.285 340 HA ASP 123 HA ASP 123 184.556 -8.327 -4.619 341 1HB ASP 123 2HB ASP 123 184.417 -9.681 -6.738 342 2HB ASP 123 1HB ASP 123 185.982 -9.026 -7.216 343 H GLU 124 H GLU 124 186.537 -6.469 -6.896 344 HA GLU 124 HA GLU 124 189.035 -6.544 -5.494 345 1HB GLU 124 2HB GLU 124 187.712 -4.428 -7.227 346 2HB GLU 124 1HB GLU 124 189.418 -4.421 -6.781 347 1HG GLU 124 2HG GLU 124 188.349 -6.938 -7.961 348 2HG GLU 124 1HG GLU 124 188.541 -5.563 -9.050 349 H LEU 125 H LEU 125 186.324 -4.220 -5.328 350 HA LEU 125 HA LEU 125 187.398 -2.490 -3.326 351 1HB LEU 125 2HB LEU 125 184.729 -3.205 -4.463 352 2HB LEU 125 1HB LEU 125 184.745 -2.275 -2.968 353 HG LEU 125 HG LEU 125 184.674 -0.793 -4.944 354 1HD1 LEU 125 1HD1 LEU 125 186.049 -0.328 -2.761 355 2HD1 LEU 125 2HD1 LEU 125 186.250 0.738 -4.152 356 3HD1 LEU 125 3HD1 LEU 125 187.447 -0.515 -3.821 357 1HD2 LEU 125 1HD2 LEU 125 185.838 -2.233 -6.548 358 2HD2 LEU 125 2HD2 LEU 125 187.329 -2.103 -5.615 359 3HD2 LEU 125 3HD2 LEU 125 186.671 -0.684 -6.429 360 H LEU 126 H LEU 126 185.222 -5.299 -3.089 361 HA LEU 126 HA LEU 126 184.840 -5.330 -0.262 362 1HB LEU 126 2HB LEU 126 184.749 -7.376 -2.476 363 2HB LEU 126 1HB LEU 126 184.364 -7.810 -0.810 364 HG LEU 126 HG LEU 126 183.052 -5.466 -2.193 365 1HD1 LEU 126 1HD1 LEU 126 181.929 -8.271 -1.966 366 2HD1 LEU 126 2HD1 LEU 126 182.681 -7.645 -3.434 367 3HD1 LEU 126 3HD1 LEU 126 181.214 -6.895 -2.806 368 1HD2 LEU 126 1HD2 LEU 126 182.528 -5.246 0.039 369 2HD2 LEU 126 2HD2 LEU 126 182.762 -6.962 0.370 370 3HD2 LEU 126 3HD2 LEU 126 181.276 -6.407 -0.400 371 H LYS 127 H LYS 127 187.578 -6.291 -2.200 372 HA LYS 127 HA LYS 127 188.770 -8.323 -0.686 373 1HB LYS 127 2HB LYS 127 189.438 -7.319 -2.909 374 2HB LYS 127 1HB LYS 127 190.204 -6.009 -2.010 375 1HG LYS 127 2HG LYS 127 192.003 -7.456 -2.233 376 2HG LYS 127 1HG LYS 127 191.338 -8.020 -0.700 377 1HD LYS 127 2HD LYS 127 189.861 -9.542 -2.318 378 2HD LYS 127 1HD LYS 127 191.236 -9.303 -3.397 379 1HE LYS 127 2HE LYS 127 192.697 -9.967 -1.348 380 2HE LYS 127 1HE LYS 127 191.188 -10.627 -0.685 381 1HZ LYS 127 1HZ LYS 127 192.455 -11.292 -3.286 382 2HZ LYS 127 2HZ LYS 127 190.869 -11.747 -2.877 383 3HZ LYS 127 3HZ LYS 127 192.185 -12.337 -1.978 384 H GLY 128 H GLY 128 188.430 -4.928 0.120 385 1HA GLY 128 2HA GLY 128 190.303 -5.282 2.421 386 2HA GLY 128 1HA GLY 128 189.973 -3.728 1.660 387 H VAL 129 H VAL 129 186.996 -4.926 1.573 388 HA VAL 129 HA VAL 129 186.073 -3.443 3.885 389 HB VAL 129 HB VAL 129 184.678 -5.469 2.093 390 1HG1 VAL 129 1HG1 VAL 129 183.244 -3.177 3.342 391 2HG1 VAL 129 2HG1 VAL 129 183.700 -4.499 4.415 392 3HG1 VAL 129 3HG1 VAL 129 182.677 -4.814 3.014 393 1HG2 VAL 129 1HG2 VAL 129 185.093 -2.476 1.862 394 2HG2 VAL 129 2HG2 VAL 129 183.871 -3.349 0.937 395 3HG2 VAL 129 3HG2 VAL 129 185.581 -3.720 0.712 396 H GLU 130 H GLU 130 185.791 -4.080 5.884 397 HA GLU 130 HA GLU 130 186.287 -6.933 6.652 398 1HB GLU 130 2HB GLU 130 187.515 -4.782 7.491 399 2HB GLU 130 1HB GLU 130 186.071 -4.555 8.478 400 1HG GLU 130 2HG GLU 130 186.368 -6.734 9.510 401 2HG GLU 130 1HG GLU 130 187.716 -7.101 8.433 402 H VAL 131 H VAL 131 184.334 -7.995 6.562 403 HA VAL 131 HA VAL 131 181.860 -6.767 7.660 404 HB VAL 131 HB VAL 131 180.830 -8.822 6.814 405 1HG1 VAL 131 1HG1 VAL 131 182.896 -8.061 4.754 406 2HG1 VAL 131 2HG1 VAL 131 181.632 -6.933 5.241 407 3HG1 VAL 131 3HG1 VAL 131 181.200 -8.478 4.509 408 1HG2 VAL 131 1HG2 VAL 131 182.757 -10.277 5.500 409 2HG2 VAL 131 2HG2 VAL 131 182.100 -10.692 7.084 410 3HG2 VAL 131 3HG2 VAL 131 183.615 -9.797 6.966 411 H ASP 132 H ASP 132 180.665 -7.923 9.399 412 HA ASP 132 HA ASP 132 182.541 -8.887 11.484 413 1HB ASP 132 2HB ASP 132 179.643 -8.012 11.411 414 2HB ASP 132 1HB ASP 132 180.429 -8.596 12.878 415 H SER 133 H SER 133 181.257 -10.549 13.002 416 HA SER 133 HA SER 133 181.151 -13.064 11.579 417 1HB SER 133 2HB SER 133 180.722 -12.056 14.362 418 2HB SER 133 1HB SER 133 180.191 -13.690 13.979 419 HG SER 133 HG SER 133 182.272 -13.953 14.523 420 H ASN 134 H ASN 134 178.775 -10.672 11.677 421 HA ASN 134 HA ASN 134 176.534 -12.655 11.594 422 1HB ASN 134 2HB ASN 134 176.601 -10.660 13.219 423 2HB ASN 134 1HB ASN 134 176.397 -9.638 11.796 424 1HD2 ASN 134 1HD2 ASN 134 174.843 -12.355 13.558 425 2HD2 ASN 134 2HD2 ASN 134 173.271 -12.006 13.021 426 H GLY 135 H GLY 135 178.536 -10.748 9.568 427 1HA GLY 135 2HA GLY 135 178.452 -10.705 7.193 428 2HA GLY 135 1HA GLY 135 176.827 -11.386 7.262 429 H GLU 136 H GLU 136 177.637 -8.615 9.216 430 HA GLU 136 HA GLU 136 175.816 -6.941 7.522 431 1HB GLU 136 2HB GLU 136 176.560 -6.961 10.458 432 2HB GLU 136 1HB GLU 136 175.587 -5.688 9.721 433 1HG GLU 136 2HG GLU 136 173.905 -7.315 9.030 434 2HG GLU 136 1HG GLU 136 174.895 -8.639 9.642 435 H ILE 137 H ILE 137 176.496 -5.000 6.770 436 HA ILE 137 HA ILE 137 179.221 -4.028 7.552 437 HB ILE 137 HB ILE 137 177.970 -4.247 4.794 438 1HG1 ILE 137 2HG1 ILE 137 180.210 -5.641 4.569 439 2HG1 ILE 137 1HG1 ILE 137 180.044 -5.791 6.317 440 1HG2 ILE 137 1HG2 ILE 137 180.736 -3.264 5.554 441 2HG2 ILE 137 2HG2 ILE 137 179.394 -2.199 5.137 442 3HG2 ILE 137 3HG2 ILE 137 180.039 -3.316 3.934 443 1HD1 ILE 137 1HD1 ILE 137 178.406 -7.321 6.101 444 2HD1 ILE 137 2HD1 ILE 137 178.755 -7.352 4.373 445 3HD1 ILE 137 3HD1 ILE 137 177.501 -6.282 4.998 446 H ASP 138 H ASP 138 179.344 -1.823 7.817 447 HA ASP 138 HA ASP 138 176.924 -0.307 8.196 448 1HB ASP 138 2HB ASP 138 179.150 -0.033 9.357 449 2HB ASP 138 1HB ASP 138 179.769 0.698 7.877 450 H TYR 139 H TYR 139 175.691 0.286 6.416 451 HA TYR 139 HA TYR 139 176.613 0.523 3.733 452 1HB TYR 139 2HB TYR 139 174.397 1.528 3.364 453 2HB TYR 139 1HB TYR 139 174.304 0.102 4.391 454 HD1 TYR 139 HD1 TYR 139 174.237 3.816 4.375 455 HD2 TYR 139 HD2 TYR 139 173.555 0.245 6.662 456 HE1 TYR 139 HE1 TYR 139 173.084 5.151 6.120 457 HE2 TYR 139 HE2 TYR 139 172.411 1.579 8.405 458 HH TYR 139 HH TYR 139 172.396 3.940 9.202 459 H LYS 140 H LYS 140 176.311 2.988 6.293 460 HA LYS 140 HA LYS 140 176.651 5.245 4.560 461 1HB LYS 140 2HB LYS 140 176.297 4.658 7.349 462 2HB LYS 140 1HB LYS 140 177.636 5.794 7.200 463 1HG LYS 140 2HG LYS 140 176.121 7.149 5.644 464 2HG LYS 140 1HG LYS 140 174.803 6.124 6.209 465 1HD LYS 140 2HD LYS 140 176.538 7.301 8.314 466 2HD LYS 140 1HD LYS 140 175.495 8.427 7.444 467 1HE LYS 140 2HE LYS 140 173.529 6.998 7.961 468 2HE LYS 140 1HE LYS 140 174.585 5.906 8.879 469 1HZ LYS 140 1HZ LYS 140 173.539 7.636 10.282 470 2HZ LYS 140 2HZ LYS 140 174.348 8.825 9.379 471 3HZ LYS 140 3HZ LYS 140 175.233 7.705 10.301 472 H LYS 141 H LYS 141 178.916 3.262 6.432 473 HA LYS 141 HA LYS 141 181.264 4.868 5.973 474 1HB LYS 141 2HB LYS 141 180.777 1.975 6.715 475 2HB LYS 141 1HB LYS 141 182.386 2.698 6.689 476 1HG LYS 141 2HG LYS 141 181.567 4.455 8.272 477 2HG LYS 141 1HG LYS 141 180.030 3.596 8.372 478 1HD LYS 141 2HD LYS 141 181.127 1.625 9.273 479 2HD LYS 141 1HD LYS 141 182.715 2.357 9.040 480 1HE LYS 141 2HE LYS 141 181.995 4.215 10.610 481 2HE LYS 141 1HE LYS 141 180.550 3.249 10.973 482 1HZ LYS 141 1HZ LYS 141 182.370 2.746 12.509 483 2HZ LYS 141 2HZ LYS 141 183.358 2.296 11.201 484 3HZ LYS 141 3HZ LYS 141 181.966 1.394 11.567 485 H PHE 142 H PHE 142 180.034 1.929 4.326 486 HA PHE 142 HA PHE 142 182.253 1.765 2.511 487 1HB PHE 142 2HB PHE 142 180.677 -0.084 3.197 488 2HB PHE 142 1HB PHE 142 179.436 0.670 2.197 489 HD1 PHE 142 HD1 PHE 142 179.125 -0.536 0.224 490 HD2 PHE 142 HD2 PHE 142 183.112 0.039 1.719 491 HE1 PHE 142 HE1 PHE 142 180.044 -1.693 -1.775 492 HE2 PHE 142 HE2 PHE 142 184.027 -1.115 -0.276 493 HZ PHE 142 HZ PHE 142 182.494 -1.979 -2.022 494 H ILE 143 H ILE 143 179.197 3.508 2.426 495 HA ILE 143 HA ILE 143 179.354 4.154 -0.440 496 HB ILE 143 HB ILE 143 177.692 5.090 1.928 497 1HG1 ILE 143 2HG1 ILE 143 176.961 3.376 -0.464 498 2HG1 ILE 143 1HG1 ILE 143 177.394 2.732 1.119 499 1HG2 ILE 143 1HG2 ILE 143 177.751 6.894 0.304 500 2HG2 ILE 143 2HG2 ILE 143 176.189 6.086 0.192 501 3HG2 ILE 143 3HG2 ILE 143 177.435 5.769 -1.014 502 1HD1 ILE 143 1HD1 ILE 143 174.835 3.410 0.321 503 2HD1 ILE 143 2HD1 ILE 143 175.333 4.825 1.247 504 3HD1 ILE 143 3HD1 ILE 143 175.360 3.227 1.993 505 H GLU 144 H GLU 144 179.869 5.942 2.624 506 HA GLU 144 HA GLU 144 180.680 8.423 1.454 507 1HB GLU 144 2HB GLU 144 181.355 7.001 4.046 508 2HB GLU 144 1HB GLU 144 181.811 8.674 3.719 509 1HG GLU 144 2HG GLU 144 178.960 7.662 3.552 510 2HG GLU 144 1HG GLU 144 179.642 8.419 4.992 511 H ASP 145 H ASP 145 182.424 5.394 1.900 512 HA ASP 145 HA ASP 145 185.006 6.680 1.263 513 1HB ASP 145 2HB ASP 145 184.583 4.772 2.960 514 2HB ASP 145 1HB ASP 145 184.416 3.723 1.552 515 H VAL 146 H VAL 146 182.404 5.301 -0.492 516 HA VAL 146 HA VAL 146 184.143 4.617 -2.816 517 HB VAL 146 HB VAL 146 181.196 4.267 -2.151 518 1HG1 VAL 146 1HG1 VAL 146 181.073 4.494 -4.475 519 2HG1 VAL 146 2HG1 VAL 146 181.385 2.766 -4.314 520 3HG1 VAL 146 3HG1 VAL 146 182.702 3.864 -4.723 521 1HG2 VAL 146 1HG2 VAL 146 183.235 2.132 -2.773 522 2HG2 VAL 146 2HG2 VAL 146 181.713 1.978 -1.894 523 3HG2 VAL 146 3HG2 VAL 146 183.085 2.796 -1.146 524 H LEU 147 H LEU 147 181.467 6.730 -1.836 525 HA LEU 147 HA LEU 147 181.125 8.247 -4.247 526 1HB LEU 147 2HB LEU 147 180.742 8.820 -1.301 527 2HB LEU 147 1HB LEU 147 180.254 9.953 -2.561 528 HG LEU 147 HG LEU 147 179.330 7.070 -2.419 529 1HD1 LEU 147 1HD1 LEU 147 177.776 9.581 -1.736 530 2HD1 LEU 147 2HD1 LEU 147 178.523 8.537 -0.526 531 3HD1 LEU 147 3HD1 LEU 147 177.237 7.911 -1.558 532 1HD2 LEU 147 1HD2 LEU 147 177.546 8.161 -3.988 533 2HD2 LEU 147 2HD2 LEU 147 179.128 7.762 -4.657 534 3HD2 LEU 147 3HD2 LEU 147 178.756 9.426 -4.208 535 H ARG 148 H ARG 148 183.740 8.299 -1.966 536 HA ARG 148 HA ARG 148 184.652 10.981 -2.228 537 1HB ARG 148 2HB ARG 148 185.924 8.300 -1.712 538 2HB ARG 148 1HB ARG 148 186.919 9.752 -1.807 539 1HG ARG 148 2HG ARG 148 184.466 9.704 -0.065 540 2HG ARG 148 1HG ARG 148 185.989 9.035 0.522 541 1HD ARG 148 2HD ARG 148 187.114 11.147 0.282 542 2HD ARG 148 1HD ARG 148 185.751 11.837 -0.623 543 HE ARG 148 HE ARG 148 185.754 11.233 2.289 544 1HH1 ARG 148 1HH2 ARG 148 183.089 10.615 1.094 545 2HH1 ARG 148 2HH2 ARG 148 182.271 12.137 1.209 546 1HH2 ARG 148 2HH1 ARG 148 185.175 13.960 1.728 547 2HH2 ARG 148 1HH1 ARG 148 183.452 14.031 1.567 548 H GLN 149 HN GLN 149 185.247 8.103 -4.251 549 HA GLN 149 HA GLN 149 186.292 9.911 -6.403 550 1HB GLN 149 2HB GLN 149 187.516 7.635 -4.977 551 2HB GLN 149 1HB GLN 149 187.645 7.533 -6.732 552 1HG GLN 149 2HG GLN 149 188.222 10.236 -5.978 553 2HG GLN 149 1HG GLN 149 189.162 9.175 -4.931 554 1HE2 GLN 149 1HE2 GLN 149 190.761 7.759 -5.945 555 2HE2 GLN 149 2HE2 GLN 149 191.263 8.002 -7.548 Start of MODEL 14 1 1H LYS 80 H LYS 80 176.807 15.932 -11.271 2 HA LYS 80 HA LYS 80 177.100 16.645 -8.896 3 1HB LYS 80 2HB LYS 80 174.985 18.193 -10.430 4 2HB LYS 80 1HB LYS 80 175.889 18.826 -9.054 5 1HG LYS 80 2HG LYS 80 178.005 18.468 -10.287 6 2HG LYS 80 1HG LYS 80 177.087 17.871 -11.672 7 1HD LYS 80 2HD LYS 80 175.844 20.091 -11.658 8 2HD LYS 80 1HD LYS 80 177.043 20.659 -10.494 9 1HE LYS 80 2HE LYS 80 178.852 20.108 -12.127 10 2HE LYS 80 1HE LYS 80 177.606 19.661 -13.309 11 1HZ LYS 80 1HZ LYS 80 178.003 22.302 -12.015 12 2HZ LYS 80 2HZ LYS 80 176.594 21.894 -12.873 13 3HZ LYS 80 3HZ LYS 80 178.095 21.941 -13.669 14 H ALA 81 H ALA 81 176.040 14.720 -7.844 15 HA ALA 81 HA ALA 81 173.246 15.242 -6.871 16 1HB ALA 81 1HB ALA 81 174.862 12.702 -6.668 17 2HB ALA 81 2HB ALA 81 174.007 13.126 -8.151 18 3HB ALA 81 3HB ALA 81 173.109 12.890 -6.651 19 H LYS 82 H LYS 82 172.875 14.810 -4.541 20 HA LYS 82 HA LYS 82 175.311 15.397 -2.884 21 1HB LYS 82 2HB LYS 82 172.345 15.910 -2.512 22 2HB LYS 82 1HB LYS 82 173.580 16.310 -1.317 23 1HG LYS 82 2HG LYS 82 174.703 17.770 -2.959 24 2HG LYS 82 1HG LYS 82 173.466 17.376 -4.155 25 1HD LYS 82 2HD LYS 82 171.732 18.330 -2.681 26 2HD LYS 82 1HD LYS 82 172.967 18.729 -1.486 27 1HE LYS 82 2HE LYS 82 174.122 20.064 -3.369 28 2HE LYS 82 1HE LYS 82 172.583 19.918 -4.240 29 1HZ LYS 82 1HZ LYS 82 172.675 21.909 -2.809 30 2HZ LYS 82 2HZ LYS 82 172.857 20.905 -1.450 31 3HZ LYS 82 3HZ LYS 82 171.428 20.848 -2.367 32 H THR 83 H THR 83 175.413 14.446 -0.816 33 HA THR 83 HA THR 83 175.231 11.641 -0.659 34 HB THR 83 HB THR 83 174.864 13.469 1.723 35 HG1 THR 83 HG1 THR 83 176.724 14.339 1.326 36 1HG2 THR 83 1HG2 THR 83 175.178 10.786 1.610 37 2HG2 THR 83 2HG2 THR 83 175.797 11.770 2.936 38 3HG2 THR 83 3HG2 THR 83 176.870 11.284 1.623 39 H GLU 84 H GLU 84 172.806 14.069 0.061 40 HA GLU 84 HA GLU 84 170.849 12.689 1.508 41 1HB GLU 84 2HB GLU 84 170.693 14.680 -0.778 42 2HB GLU 84 1HB GLU 84 169.289 14.235 0.206 43 1HG GLU 84 2HG GLU 84 170.480 14.967 2.244 44 2HG GLU 84 1HG GLU 84 171.877 15.416 1.265 45 H ASP 85 H ASP 85 171.515 12.501 -1.970 46 HA ASP 85 HA ASP 85 169.200 10.951 -2.716 47 1HB ASP 85 2HB ASP 85 170.905 12.259 -4.146 48 2HB ASP 85 1HB ASP 85 171.941 10.841 -3.993 49 H PHE 86 H PHE 86 172.524 10.031 -1.826 50 HA PHE 86 HA PHE 86 172.029 7.163 -2.023 51 1HB PHE 86 2HB PHE 86 174.210 8.968 -1.788 52 2HB PHE 86 1HB PHE 86 174.296 7.903 -0.385 53 HD1 PHE 86 HD1 PHE 86 175.204 5.757 -0.599 54 HD2 PHE 86 HD2 PHE 86 173.827 7.822 -4.104 55 HE1 PHE 86 HE1 PHE 86 176.107 3.939 -2.021 56 HE2 PHE 86 HE2 PHE 86 174.732 6.003 -5.527 57 HZ PHE 86 HZ PHE 86 175.870 4.063 -4.483 58 H VAL 87 H VAL 87 172.258 9.494 0.694 59 HA VAL 87 HA VAL 87 172.129 7.585 2.792 60 HB VAL 87 HB VAL 87 171.187 10.469 2.642 61 1HG1 VAL 87 1HG1 VAL 87 171.329 8.510 4.854 62 2HG1 VAL 87 2HG1 VAL 87 170.387 9.995 4.722 63 3HG1 VAL 87 3HG1 VAL 87 172.083 10.067 5.200 64 1HG2 VAL 87 1HG2 VAL 87 173.374 11.103 2.942 65 2HG2 VAL 87 2HG2 VAL 87 173.691 9.560 2.148 66 3HG2 VAL 87 3HG2 VAL 87 173.764 9.679 3.906 67 H LYS 88 H LYS 88 169.478 9.589 1.414 68 HA LYS 88 HA LYS 88 167.331 8.584 2.943 69 1HB LYS 88 2HB LYS 88 167.401 10.535 1.343 70 2HB LYS 88 1HB LYS 88 167.273 9.376 0.019 71 1HG LYS 88 2HG LYS 88 165.150 8.535 0.956 72 2HG LYS 88 1HG LYS 88 165.273 9.698 2.277 73 1HD LYS 88 2HD LYS 88 165.335 11.533 0.543 74 2HD LYS 88 1HD LYS 88 164.962 10.310 -0.672 75 1HE LYS 88 2HE LYS 88 162.968 9.700 0.929 76 2HE LYS 88 1HE LYS 88 163.227 11.339 1.561 77 1HZ LYS 88 1HZ LYS 88 163.123 12.205 -0.679 78 2HZ LYS 88 2HZ LYS 88 161.703 11.335 -0.342 79 3HZ LYS 88 3HZ LYS 88 162.915 10.646 -1.313 80 H ALA 89 H ALA 89 168.868 7.190 0.094 81 HA ALA 89 HA ALA 89 166.844 5.230 -0.534 82 1HB ALA 89 1HB ALA 89 169.382 6.119 -1.471 83 2HB ALA 89 2HB ALA 89 168.228 5.069 -2.290 84 3HB ALA 89 3HB ALA 89 169.481 4.372 -1.265 85 H PHE 90 H PHE 90 169.771 5.016 1.550 86 HA PHE 90 HA PHE 90 169.354 2.167 2.047 87 1HB PHE 90 2HB PHE 90 171.203 4.357 2.943 88 2HB PHE 90 1HB PHE 90 171.175 2.838 3.839 89 HD1 PHE 90 HD1 PHE 90 172.398 4.528 0.908 90 HD2 PHE 90 HD2 PHE 90 171.452 0.653 2.509 91 HE1 PHE 90 HE1 PHE 90 173.805 3.463 -0.834 92 HE2 PHE 90 HE2 PHE 90 172.860 -0.409 0.765 93 HZ PHE 90 HZ PHE 90 174.036 0.995 -0.905 94 H GLN 91 H GLN 91 169.338 5.021 4.160 95 HA GLN 91 HA GLN 91 168.454 3.936 6.523 96 1HB GLN 91 2HB GLN 91 167.762 6.196 7.046 97 2HB GLN 91 1HB GLN 91 169.176 6.274 6.009 98 1HG GLN 91 2HG GLN 91 167.738 6.688 4.059 99 2HG GLN 91 1HG GLN 91 166.306 6.556 5.072 100 1HE2 GLN 91 1HE2 GLN 91 165.551 8.498 5.932 101 2HE2 GLN 91 2HE2 GLN 91 166.474 9.915 6.087 102 H VAL 92 H VAL 92 166.296 4.674 3.754 103 HA VAL 92 HA VAL 92 163.864 4.503 5.212 104 HB VAL 92 HB VAL 92 162.881 3.992 2.940 105 1HG1 VAL 92 1HG1 VAL 92 164.804 6.211 3.486 106 2HG1 VAL 92 2HG1 VAL 92 163.062 6.275 3.218 107 3HG1 VAL 92 3HG1 VAL 92 164.158 6.064 1.853 108 1HG2 VAL 92 1HG2 VAL 92 164.935 2.600 2.258 109 2HG2 VAL 92 2HG2 VAL 92 165.730 4.139 1.938 110 3HG2 VAL 92 3HG2 VAL 92 164.283 3.692 1.038 111 H PHE 93 H PHE 93 165.984 2.025 3.920 112 HA PHE 93 HA PHE 93 164.168 -0.227 4.297 113 1HB PHE 93 2HB PHE 93 166.385 0.130 2.875 114 2HB PHE 93 1HB PHE 93 167.167 -0.437 4.351 115 HD1 PHE 93 HD1 PHE 93 166.107 -1.555 1.301 116 HD2 PHE 93 HD2 PHE 93 165.615 -2.487 5.465 117 HE1 PHE 93 HE1 PHE 93 165.527 -3.893 0.709 118 HE2 PHE 93 HE2 PHE 93 165.034 -4.825 4.873 119 HZ PHE 93 HZ PHE 93 164.991 -5.528 2.495 120 H ASP 94 H ASP 94 166.978 1.059 6.159 121 HA ASP 94 HA ASP 94 166.746 -0.805 8.325 122 1HB ASP 94 2HB ASP 94 168.049 1.844 7.807 123 2HB ASP 94 1HB ASP 94 168.012 1.243 9.465 124 H LYS 95 H LYS 95 164.345 -0.714 8.651 125 HA LYS 95 HA LYS 95 162.947 1.617 9.521 126 1HB LYS 95 2HB LYS 95 161.294 -0.043 10.324 127 2HB LYS 95 1HB LYS 95 161.907 -0.476 8.728 128 1HG LYS 95 2HG LYS 95 163.687 -1.846 10.134 129 2HG LYS 95 1HG LYS 95 162.440 -1.770 11.379 130 1HD LYS 95 2HD LYS 95 160.829 -2.540 9.475 131 2HD LYS 95 1HD LYS 95 162.308 -3.053 8.661 132 1HE LYS 95 2HE LYS 95 162.825 -4.639 10.329 133 2HE LYS 95 1HE LYS 95 161.771 -3.859 11.524 134 1HZ LYS 95 1HZ LYS 95 160.690 -5.805 10.574 135 2HZ LYS 95 2HZ LYS 95 160.874 -5.168 9.009 136 3HZ LYS 95 3HZ LYS 95 159.862 -4.392 10.132 137 H GLU 96 H GLU 96 164.891 -0.758 11.345 138 HA GLU 96 HA GLU 96 164.188 0.542 13.914 139 1HB GLU 96 2HB GLU 96 165.996 -1.785 13.174 140 2HB GLU 96 1HB GLU 96 165.546 -1.332 14.819 141 1HG GLU 96 2HG GLU 96 163.096 -1.557 13.969 142 2HG GLU 96 1HG GLU 96 163.807 -2.469 12.639 143 H SER 97 H SER 97 165.993 1.739 11.622 144 HA SER 97 HA SER 97 168.032 2.817 11.386 145 1HB SER 97 2HB SER 97 166.958 3.588 14.107 146 2HB SER 97 1HB SER 97 168.217 4.493 13.272 147 HG SER 97 HG SER 97 166.745 4.760 11.537 148 H THR 98 H THR 98 168.573 0.113 12.456 149 HA THR 98 HA THR 98 170.407 0.213 14.673 150 HB THR 98 HB THR 98 171.142 -1.989 13.705 151 HG1 THR 98 HG1 THR 98 170.536 -2.544 11.735 152 1HG2 THR 98 1HG2 THR 98 168.175 -1.951 13.391 153 2HG2 THR 98 2HG2 THR 98 168.841 -1.435 14.941 154 3HG2 THR 98 3HG2 THR 98 169.191 -3.049 14.325 155 H GLY 99 H GLY 99 170.784 0.721 11.201 156 1HA GLY 99 2HA GLY 99 172.476 2.111 10.216 157 2HA GLY 99 1HA GLY 99 173.422 1.969 11.695 158 H LYS 100 H LYS 100 172.217 -1.060 10.634 159 HA LYS 100 HA LYS 100 174.781 -1.644 9.205 160 1HB LYS 100 2HB LYS 100 173.391 -3.047 11.489 161 2HB LYS 100 1HB LYS 100 174.558 -3.891 10.471 162 1HG LYS 100 2HG LYS 100 175.243 -1.232 11.712 163 2HG LYS 100 1HG LYS 100 175.434 -2.730 12.624 164 1HD LYS 100 2HD LYS 100 176.896 -3.637 10.880 165 2HD LYS 100 1HD LYS 100 176.670 -2.182 9.910 166 1HE LYS 100 2HE LYS 100 178.130 -0.959 11.182 167 2HE LYS 100 1HE LYS 100 177.588 -1.713 12.695 168 1HZ LYS 100 1HZ LYS 100 179.126 -3.172 10.620 169 2HZ LYS 100 2HZ LYS 100 178.790 -3.673 12.208 170 3HZ LYS 100 3HZ LYS 100 179.867 -2.390 11.930 171 H VAL 101 H VAL 101 174.571 -3.388 7.611 172 HA VAL 101 HA VAL 101 171.875 -4.515 7.158 173 HB VAL 101 HB VAL 101 171.901 -3.677 4.789 174 1HG1 VAL 101 1HG1 VAL 101 172.227 -1.350 6.689 175 2HG1 VAL 101 2HG1 VAL 101 170.838 -2.434 6.781 176 3HG1 VAL 101 3HG1 VAL 101 171.130 -1.495 5.316 177 1HG2 VAL 101 1HG2 VAL 101 174.305 -3.383 4.503 178 2HG2 VAL 101 2HG2 VAL 101 174.342 -2.171 5.783 179 3HG2 VAL 101 3HG2 VAL 101 173.510 -1.826 4.268 180 H SER 102 H SER 102 171.935 -6.278 5.547 181 HA SER 102 HA SER 102 174.422 -7.835 5.694 182 1HB SER 102 2HB SER 102 172.919 -9.416 4.344 183 2HB SER 102 1HB SER 102 172.346 -8.981 5.950 184 HG SER 102 HG SER 102 170.662 -8.690 4.530 185 H VAL 103 H VAL 103 175.786 -8.302 3.937 186 HA VAL 103 HA VAL 103 176.166 -6.404 1.873 187 HB VAL 103 HB VAL 103 177.822 -8.048 2.696 188 1HG1 VAL 103 1HG1 VAL 103 177.689 -10.387 2.105 189 2HG1 VAL 103 2HG1 VAL 103 176.255 -10.106 1.117 190 3HG1 VAL 103 3HG1 VAL 103 176.163 -9.942 2.870 191 1HG2 VAL 103 1HG2 VAL 103 178.305 -8.998 0.194 192 2HG2 VAL 103 2HG2 VAL 103 178.661 -7.344 0.689 193 3HG2 VAL 103 3HG2 VAL 103 177.168 -7.702 -0.179 194 H GLY 104 H GLY 104 174.297 -9.462 1.806 195 1HA GLY 104 2HA GLY 104 173.745 -9.503 -0.978 196 2HA GLY 104 1HA GLY 104 172.729 -10.243 0.259 197 H ASP 105 H ASP 105 172.053 -7.879 1.696 198 HA ASP 105 HA ASP 105 169.932 -6.834 -0.037 199 1HB ASP 105 2HB ASP 105 169.753 -7.441 2.415 200 2HB ASP 105 1HB ASP 105 170.754 -6.032 2.771 201 H LEU 106 H LEU 106 172.838 -5.533 1.562 202 HA LEU 106 HA LEU 106 172.524 -2.797 0.839 203 1HB LEU 106 2HB LEU 106 174.143 -3.718 2.478 204 2HB LEU 106 1HB LEU 106 175.040 -4.470 1.160 205 HG LEU 106 HG LEU 106 174.500 -1.549 0.929 206 1HD1 LEU 106 1HD1 LEU 106 176.826 -1.428 2.268 207 2HD1 LEU 106 2HD1 LEU 106 176.117 -2.821 3.087 208 3HD1 LEU 106 3HD1 LEU 106 175.269 -1.275 3.081 209 1HD2 LEU 106 1HD2 LEU 106 176.589 -3.550 0.137 210 2HD2 LEU 106 2HD2 LEU 106 177.045 -1.851 0.250 211 3HD2 LEU 106 3HD2 LEU 106 175.763 -2.348 -0.854 212 H ARG 107 H ARG 107 174.359 -5.392 -0.841 213 HA ARG 107 HA ARG 107 175.133 -3.785 -3.084 214 1HB ARG 107 2HB ARG 107 175.979 -6.082 -2.229 215 2HB ARG 107 1HB ARG 107 174.631 -6.769 -3.134 216 1HG ARG 107 2HG ARG 107 175.518 -5.400 -5.137 217 2HG ARG 107 1HG ARG 107 176.999 -5.219 -4.192 218 1HD ARG 107 2HD ARG 107 177.056 -7.745 -3.960 219 2HD ARG 107 1HD ARG 107 175.733 -7.809 -5.143 220 HE ARG 107 HE ARG 107 178.508 -7.036 -5.715 221 1HH1 ARG 107 1HH2 ARG 107 176.639 -4.865 -6.724 222 2HH1 ARG 107 2HH2 ARG 107 176.323 -5.410 -8.338 223 1HH2 ARG 107 2HH1 ARG 107 177.483 -8.626 -7.761 224 2HH2 ARG 107 1HH1 ARG 107 176.802 -7.540 -8.924 225 H TYR 108 H TYR 108 172.225 -5.685 -2.411 226 HA TYR 108 HA TYR 108 171.160 -5.652 -5.089 227 1HB TYR 108 2HB TYR 108 170.462 -7.124 -3.160 228 2HB TYR 108 1HB TYR 108 169.689 -5.716 -2.431 229 HD1 TYR 108 HD1 TYR 108 169.563 -8.148 -5.191 230 HD2 TYR 108 HD2 TYR 108 167.684 -4.718 -3.415 231 HE1 TYR 108 HE1 TYR 108 167.551 -8.526 -6.591 232 HE2 TYR 108 HE2 TYR 108 165.672 -5.095 -4.813 233 HH TYR 108 HH TYR 108 165.201 -7.990 -6.611 234 H MET 109 H MET 109 170.544 -3.526 -2.269 235 HA MET 109 HA MET 109 168.796 -1.782 -3.739 236 1HB MET 109 2HB MET 109 170.127 -1.938 -1.103 237 2HB MET 109 1HB MET 109 169.622 -0.325 -1.605 238 1HG MET 109 2HG MET 109 167.524 -2.218 -2.215 239 2HG MET 109 1HG MET 109 168.008 -2.396 -0.533 240 1HE MET 109 1HE MET 109 168.288 1.402 -2.280 241 2HE MET 109 2HE MET 109 166.603 1.288 -2.779 242 3HE MET 109 3HE MET 109 167.743 0.037 -3.263 243 H LEU 110 H LEU 110 172.283 -1.922 -3.238 244 HA LEU 110 HA LEU 110 172.985 0.788 -3.788 245 1HB LEU 110 2HB LEU 110 174.492 -0.982 -2.909 246 2HB LEU 110 1HB LEU 110 174.384 -1.835 -4.449 247 HG LEU 110 HG LEU 110 175.283 0.283 -5.541 248 1HD1 LEU 110 1HD1 LEU 110 174.758 1.474 -3.177 249 2HD1 LEU 110 2HD1 LEU 110 176.006 2.061 -4.275 250 3HD1 LEU 110 3HD1 LEU 110 176.446 1.039 -2.905 251 1HD2 LEU 110 1HD2 LEU 110 176.883 -1.396 -5.437 252 2HD2 LEU 110 2HD2 LEU 110 176.792 -1.516 -3.680 253 3HD2 LEU 110 3HD2 LEU 110 177.652 -0.170 -4.427 254 H THR 111 H THR 111 172.532 -2.034 -5.922 255 HA THR 111 HA THR 111 173.107 -0.692 -8.384 256 HB THR 111 HB THR 111 171.907 -2.690 -9.325 257 HG1 THR 111 HG1 THR 111 171.236 -4.209 -7.676 258 1HG2 THR 111 1HG2 THR 111 174.058 -2.819 -7.265 259 2HG2 THR 111 2HG2 THR 111 174.118 -3.232 -8.978 260 3HG2 THR 111 3HG2 THR 111 173.376 -4.345 -7.828 261 H GLY 112 H GLY 112 170.380 -0.561 -6.283 262 1HA GLY 112 2HA GLY 112 168.454 0.266 -8.352 263 2HA GLY 112 1HA GLY 112 168.124 0.112 -6.627 264 H LEU 113 H LEU 113 170.851 1.705 -6.371 265 HA LEU 113 HA LEU 113 169.532 4.333 -6.180 266 1HB LEU 113 2HB LEU 113 171.190 2.832 -4.596 267 2HB LEU 113 1HB LEU 113 172.343 3.926 -5.356 268 HG LEU 113 HG LEU 113 169.812 4.786 -3.917 269 1HD1 LEU 113 1HD1 LEU 113 171.764 3.782 -2.551 270 2HD1 LEU 113 2HD1 LEU 113 171.185 5.377 -2.077 271 3HD1 LEU 113 3HD1 LEU 113 172.663 5.223 -3.023 272 1HD2 LEU 113 1HD2 LEU 113 170.921 7.048 -4.084 273 2HD2 LEU 113 2HD2 LEU 113 170.425 6.380 -5.639 274 3HD2 LEU 113 3HD2 LEU 113 172.119 6.320 -5.154 275 H GLY 114 H GLY 114 171.101 2.862 -8.712 276 1HA GLY 114 2HA GLY 114 171.789 4.143 -10.673 277 2HA GLY 114 1HA GLY 114 172.333 5.431 -9.595 278 H GLU 115 H GLU 115 172.928 2.047 -9.067 279 HA GLU 115 HA GLU 115 175.880 2.513 -9.453 280 1HB GLU 115 2HB GLU 115 174.417 0.603 -7.617 281 2HB GLU 115 1HB GLU 115 176.164 0.768 -7.733 282 1HG GLU 115 2HG GLU 115 174.614 3.269 -7.259 283 2HG GLU 115 1HG GLU 115 174.734 2.137 -5.913 284 H LYS 116 H LYS 116 176.679 1.422 -11.216 285 HA LYS 116 HA LYS 116 175.436 -1.202 -11.873 286 1HB LYS 116 2HB LYS 116 176.462 0.983 -13.731 287 2HB LYS 116 1HB LYS 116 175.985 -0.621 -14.288 288 1HG LYS 116 2HG LYS 116 173.720 -0.232 -13.278 289 2HG LYS 116 1HG LYS 116 174.216 1.422 -12.916 290 1HD LYS 116 2HD LYS 116 174.289 0.230 -15.700 291 2HD LYS 116 1HD LYS 116 172.932 1.170 -15.079 292 1HE LYS 116 2HE LYS 116 174.612 3.029 -14.567 293 2HE LYS 116 1HE LYS 116 175.778 2.107 -15.537 294 1HZ LYS 116 1HZ LYS 116 174.644 3.564 -17.014 295 2HZ LYS 116 2HZ LYS 116 173.124 3.125 -16.396 296 3HZ LYS 116 3HZ LYS 116 174.032 2.009 -17.298 297 H LEU 117 H LEU 117 177.248 -1.497 -10.171 298 HA LEU 117 HA LEU 117 179.948 -1.780 -11.364 299 1HB LEU 117 2HB LEU 117 178.791 -2.335 -8.606 300 2HB LEU 117 1HB LEU 117 180.504 -2.384 -9.022 301 HG LEU 117 HG LEU 117 178.766 0.071 -9.379 302 1HD1 LEU 117 1HD1 LEU 117 180.293 0.821 -7.375 303 2HD1 LEU 117 2HD1 LEU 117 180.421 -0.912 -7.069 304 3HD1 LEU 117 3HD1 LEU 117 178.842 -0.127 -7.051 305 1HD2 LEU 117 1HD2 LEU 117 181.048 1.160 -9.472 306 2HD2 LEU 117 2HD2 LEU 117 180.705 0.081 -10.823 307 3HD2 LEU 117 3HD2 LEU 117 181.750 -0.457 -9.509 308 H THR 118 H THR 118 180.905 -3.899 -11.588 309 HA THR 118 HA THR 118 178.915 -6.142 -11.608 310 HB THR 118 HB THR 118 181.520 -5.884 -13.117 311 HG1 THR 118 HG1 THR 118 180.251 -4.240 -13.834 312 1HG2 THR 118 1HG2 THR 118 179.167 -7.462 -14.046 313 2HG2 THR 118 2HG2 THR 118 180.111 -8.111 -12.706 314 3HG2 THR 118 3HG2 THR 118 180.888 -7.785 -14.256 315 H ASP 119 H ASP 119 179.486 -8.071 -10.447 316 HA ASP 119 HA ASP 119 180.967 -8.131 -8.180 317 1HB ASP 119 2HB ASP 119 179.547 -9.920 -9.277 318 2HB ASP 119 1HB ASP 119 180.982 -10.391 -10.190 319 H ALA 120 H ALA 120 182.408 -8.264 -11.407 320 HA ALA 120 HA ALA 120 185.054 -9.176 -10.712 321 1HB ALA 120 1HB ALA 120 185.626 -8.019 -12.840 322 2HB ALA 120 2HB ALA 120 184.040 -7.248 -12.831 323 3HB ALA 120 3HB ALA 120 184.169 -8.998 -13.006 324 H GLU 121 H GLU 121 183.741 -5.857 -11.115 325 HA GLU 121 HA GLU 121 186.113 -4.593 -9.977 326 1HB GLU 121 2HB GLU 121 183.331 -3.703 -10.774 327 2HB GLU 121 1HB GLU 121 184.529 -2.584 -10.127 328 1HG GLU 121 2HG GLU 121 186.089 -3.200 -11.938 329 2HG GLU 121 1HG GLU 121 184.888 -4.318 -12.588 330 H VAL 122 H VAL 122 182.786 -5.232 -8.849 331 HA VAL 122 HA VAL 122 182.949 -3.954 -6.288 332 HB VAL 122 HB VAL 122 181.401 -6.416 -7.178 333 1HG1 VAL 122 1HG1 VAL 122 179.760 -5.468 -5.426 334 2HG1 VAL 122 2HG1 VAL 122 181.122 -4.510 -4.845 335 3HG1 VAL 122 3HG1 VAL 122 181.205 -6.272 -4.810 336 1HG2 VAL 122 1HG2 VAL 122 179.580 -4.659 -7.524 337 2HG2 VAL 122 2HG2 VAL 122 180.901 -4.624 -8.691 338 3HG2 VAL 122 3HG2 VAL 122 180.851 -3.446 -7.380 339 H ASP 123 H ASP 123 183.963 -7.214 -7.317 340 HA ASP 123 HA ASP 123 184.453 -8.235 -4.683 341 1HB ASP 123 2HB ASP 123 184.322 -9.611 -6.742 342 2HB ASP 123 1HB ASP 123 185.794 -8.850 -7.347 343 H GLU 124 H GLU 124 186.467 -6.380 -6.942 344 HA GLU 124 HA GLU 124 188.949 -6.436 -5.513 345 1HB GLU 124 2HB GLU 124 187.609 -4.395 -7.308 346 2HB GLU 124 1HB GLU 124 189.284 -4.259 -6.773 347 1HG GLU 124 2HG GLU 124 188.179 -6.681 -8.218 348 2HG GLU 124 1HG GLU 124 189.010 -5.355 -9.030 349 H LEU 125 H LEU 125 186.239 -4.101 -5.385 350 HA LEU 125 HA LEU 125 187.280 -2.355 -3.389 351 1HB LEU 125 2HB LEU 125 184.616 -3.142 -4.496 352 2HB LEU 125 1HB LEU 125 184.640 -2.162 -3.032 353 HG LEU 125 HG LEU 125 186.039 -0.479 -4.162 354 1HD1 LEU 125 1HD1 LEU 125 186.480 -0.673 -6.583 355 2HD1 LEU 125 2HD1 LEU 125 185.721 -2.264 -6.598 356 3HD1 LEU 125 3HD1 LEU 125 187.221 -2.013 -5.708 357 1HD2 LEU 125 1HD2 LEU 125 183.579 -0.306 -4.305 358 2HD2 LEU 125 2HD2 LEU 125 183.602 -1.285 -5.773 359 3HD2 LEU 125 3HD2 LEU 125 184.343 0.315 -5.769 360 H LEU 126 H LEU 126 185.102 -5.165 -3.099 361 HA LEU 126 HA LEU 126 184.768 -5.170 -0.273 362 1HB LEU 126 2HB LEU 126 184.648 -7.225 -2.470 363 2HB LEU 126 1HB LEU 126 184.346 -7.684 -0.793 364 HG LEU 126 HG LEU 126 182.908 -5.386 -2.135 365 1HD1 LEU 126 1HD1 LEU 126 182.325 -7.339 -3.411 366 2HD1 LEU 126 2HD1 LEU 126 180.996 -7.048 -2.288 367 3HD1 LEU 126 3HD1 LEU 126 182.173 -8.316 -1.951 368 1HD2 LEU 126 1HD2 LEU 126 181.261 -5.954 -0.271 369 2HD2 LEU 126 2HD2 LEU 126 182.799 -5.277 0.262 370 3HD2 LEU 126 3HD2 LEU 126 182.508 -7.011 0.391 371 H LYS 127 H LYS 127 187.511 -6.087 -2.207 372 HA LYS 127 HA LYS 127 188.741 -8.098 -0.704 373 1HB LYS 127 2HB LYS 127 189.454 -7.187 -2.895 374 2HB LYS 127 1HB LYS 127 190.024 -5.725 -2.087 375 1HG LYS 127 2HG LYS 127 191.598 -7.074 -0.747 376 2HG LYS 127 1HG LYS 127 191.032 -8.537 -1.555 377 1HD LYS 127 2HD LYS 127 191.769 -7.622 -3.728 378 2HD LYS 127 1HD LYS 127 192.344 -6.165 -2.916 379 1HE LYS 127 2HE LYS 127 193.983 -7.452 -1.648 380 2HE LYS 127 1HE LYS 127 193.348 -8.971 -2.312 381 1HZ LYS 127 1HZ LYS 127 193.782 -8.028 -4.560 382 2HZ LYS 127 2HZ LYS 127 195.190 -8.321 -3.655 383 3HZ LYS 127 3HZ LYS 127 194.597 -6.737 -3.819 384 H GLY 128 H GLY 128 188.326 -4.710 0.111 385 1HA GLY 128 2HA GLY 128 190.144 -5.060 2.458 386 2HA GLY 128 1HA GLY 128 189.877 -3.509 1.665 387 H VAL 129 H VAL 129 187.187 -5.711 2.145 388 HA VAL 129 HA VAL 129 186.079 -3.789 4.163 389 HB VAL 129 HB VAL 129 184.738 -5.750 2.261 390 1HG1 VAL 129 1HG1 VAL 129 182.729 -4.197 2.947 391 2HG1 VAL 129 2HG1 VAL 129 183.710 -3.881 4.378 392 3HG1 VAL 129 3HG1 VAL 129 183.198 -5.527 4.006 393 1HG2 VAL 129 1HG2 VAL 129 184.931 -2.721 2.211 394 2HG2 VAL 129 2HG2 VAL 129 184.033 -3.710 1.061 395 3HG2 VAL 129 3HG2 VAL 129 185.792 -3.817 1.131 396 H GLU 130 H GLU 130 185.756 -4.468 6.146 397 HA GLU 130 HA GLU 130 186.210 -7.346 6.846 398 1HB GLU 130 2HB GLU 130 187.605 -5.520 7.809 399 2HB GLU 130 1HB GLU 130 186.150 -4.823 8.522 400 1HG GLU 130 2HG GLU 130 185.766 -6.905 9.790 401 2HG GLU 130 1HG GLU 130 187.223 -7.604 9.081 402 H VAL 131 H VAL 131 184.227 -8.365 6.695 403 HA VAL 131 HA VAL 131 181.777 -7.147 7.853 404 HB VAL 131 HB VAL 131 180.720 -9.173 6.974 405 1HG1 VAL 131 1HG1 VAL 131 181.759 -7.237 5.446 406 2HG1 VAL 131 2HG1 VAL 131 180.927 -8.627 4.750 407 3HG1 VAL 131 3HG1 VAL 131 182.689 -8.594 4.810 408 1HG2 VAL 131 1HG2 VAL 131 182.601 -10.635 5.618 409 2HG2 VAL 131 2HG2 VAL 131 181.982 -11.055 7.217 410 3HG2 VAL 131 3HG2 VAL 131 183.503 -10.175 7.064 411 H ASP 132 H ASP 132 180.590 -8.335 9.577 412 HA ASP 132 HA ASP 132 182.495 -9.342 11.616 413 1HB ASP 132 2HB ASP 132 179.611 -8.419 11.614 414 2HB ASP 132 1HB ASP 132 180.416 -9.037 13.056 415 H SER 133 H SER 133 181.246 -11.000 13.138 416 HA SER 133 HA SER 133 181.061 -13.497 11.693 417 1HB SER 133 2HB SER 133 180.272 -14.234 14.057 418 2HB SER 133 1HB SER 133 181.895 -13.566 13.895 419 HG SER 133 HG SER 133 179.634 -12.533 15.117 420 H ASN 134 H ASN 134 178.719 -11.078 11.884 421 HA ASN 134 HA ASN 134 176.456 -13.033 11.848 422 1HB ASN 134 2HB ASN 134 176.706 -10.927 13.423 423 2HB ASN 134 1HB ASN 134 176.205 -10.040 11.983 424 1HD2 ASN 134 1HD2 ASN 134 174.646 -10.482 14.512 425 2HD2 ASN 134 2HD2 ASN 134 173.214 -11.254 14.033 426 H GLY 135 H GLY 135 178.444 -11.165 9.782 427 1HA GLY 135 2HA GLY 135 178.300 -11.109 7.409 428 2HA GLY 135 1HA GLY 135 176.654 -11.731 7.517 429 H GLU 136 H GLU 136 177.690 -8.993 9.429 430 HA GLU 136 HA GLU 136 175.836 -7.251 7.841 431 1HB GLU 136 2HB GLU 136 176.748 -7.294 10.729 432 2HB GLU 136 1HB GLU 136 175.784 -5.984 10.046 433 1HG GLU 136 2HG GLU 136 174.031 -7.600 9.411 434 2HG GLU 136 1HG GLU 136 174.990 -8.911 10.097 435 H ILE 137 H ILE 137 176.565 -5.350 7.024 436 HA ILE 137 HA ILE 137 179.380 -4.510 7.639 437 HB ILE 137 HB ILE 137 177.898 -4.621 4.989 438 1HG1 ILE 137 2HG1 ILE 137 180.056 -6.074 4.540 439 2HG1 ILE 137 1HG1 ILE 137 180.072 -6.233 6.295 440 1HG2 ILE 137 1HG2 ILE 137 180.236 -3.959 4.115 441 2HG2 ILE 137 2HG2 ILE 137 180.564 -3.430 5.766 442 3HG2 ILE 137 3HG2 ILE 137 179.261 -2.682 4.843 443 1HD1 ILE 137 1HD1 ILE 137 178.352 -7.693 6.262 444 2HD1 ILE 137 2HD1 ILE 137 178.573 -7.776 4.516 445 3HD1 ILE 137 3HD1 ILE 137 177.399 -6.655 5.202 446 H ASP 138 H ASP 138 179.667 -2.291 7.865 447 HA ASP 138 HA ASP 138 177.375 -0.672 8.534 448 1HB ASP 138 2HB ASP 138 179.725 -0.520 9.448 449 2HB ASP 138 1HB ASP 138 180.218 0.194 7.913 450 H TYR 139 H TYR 139 176.010 0.137 6.999 451 HA TYR 139 HA TYR 139 176.623 0.336 4.205 452 1HB TYR 139 2HB TYR 139 174.379 1.039 4.030 453 2HB TYR 139 1HB TYR 139 174.391 0.040 5.476 454 HD1 TYR 139 HD1 TYR 139 173.659 3.275 4.104 455 HD2 TYR 139 HD2 TYR 139 174.600 1.240 7.769 456 HE1 TYR 139 HE1 TYR 139 172.754 5.185 5.398 457 HE2 TYR 139 HE2 TYR 139 173.701 3.151 9.060 458 HH TYR 139 HH TYR 139 171.744 5.168 8.233 459 H LYS 140 H LYS 140 176.693 2.764 6.812 460 HA LYS 140 HA LYS 140 176.961 5.033 5.071 461 1HB LYS 140 2HB LYS 140 177.073 4.374 7.935 462 2HB LYS 140 1HB LYS 140 178.101 5.739 7.499 463 1HG LYS 140 2HG LYS 140 176.263 6.954 6.577 464 2HG LYS 140 1HG LYS 140 175.218 5.535 6.614 465 1HD LYS 140 2HD LYS 140 175.008 5.599 8.964 466 2HD LYS 140 1HD LYS 140 176.421 6.638 9.148 467 1HE LYS 140 2HE LYS 140 175.106 8.419 7.846 468 2HE LYS 140 1HE LYS 140 173.679 7.399 8.113 469 1HZ LYS 140 1HZ LYS 140 174.117 9.075 9.905 470 2HZ LYS 140 2HZ LYS 140 175.529 8.210 10.287 471 3HZ LYS 140 3HZ LYS 140 174.007 7.470 10.443 472 H LYS 141 H LYS 141 179.308 2.987 6.776 473 HA LYS 141 HA LYS 141 181.663 4.507 6.174 474 1HB LYS 141 2HB LYS 141 181.138 1.599 6.828 475 2HB LYS 141 1HB LYS 141 182.763 2.276 6.711 476 1HG LYS 141 2HG LYS 141 182.180 3.948 8.442 477 2HG LYS 141 1HG LYS 141 180.575 3.232 8.580 478 1HD LYS 141 2HD LYS 141 181.585 1.081 9.243 479 2HD LYS 141 1HD LYS 141 183.193 1.795 9.110 480 1HE LYS 141 2HE LYS 141 182.492 3.508 10.835 481 2HE LYS 141 1HE LYS 141 181.007 2.565 11.071 482 1HZ LYS 141 1HZ LYS 141 182.339 0.614 11.524 483 2HZ LYS 141 2HZ LYS 141 182.772 1.859 12.594 484 3HZ LYS 141 3HZ LYS 141 183.771 1.487 11.270 485 H PHE 142 H PHE 142 180.211 1.692 4.499 486 HA PHE 142 HA PHE 142 182.288 1.524 2.527 487 1HB PHE 142 2HB PHE 142 180.602 -0.255 3.269 488 2HB PHE 142 1HB PHE 142 179.414 0.580 2.269 489 HD1 PHE 142 HD1 PHE 142 179.088 -0.361 0.167 490 HD2 PHE 142 HD2 PHE 142 183.006 -0.468 1.925 491 HE1 PHE 142 HE1 PHE 142 179.959 -1.544 -1.838 492 HE2 PHE 142 HE2 PHE 142 183.875 -1.647 -0.075 493 HZ PHE 142 HZ PHE 142 182.351 -2.184 -1.956 494 H ILE 143 H ILE 143 179.341 3.422 2.751 495 HA ILE 143 HA ILE 143 179.305 4.185 -0.090 496 HB ILE 143 HB ILE 143 177.898 5.107 2.441 497 1HG1 ILE 143 2HG1 ILE 143 176.842 3.539 0.073 498 2HG1 ILE 143 1HG1 ILE 143 177.450 2.782 1.547 499 1HG2 ILE 143 1HG2 ILE 143 177.285 5.832 -0.438 500 2HG2 ILE 143 2HG2 ILE 143 178.003 6.921 0.747 501 3HG2 ILE 143 3HG2 ILE 143 176.360 6.325 0.980 502 1HD1 ILE 143 1HD1 ILE 143 175.774 4.449 2.727 503 2HD1 ILE 143 2HD1 ILE 143 175.182 2.936 2.041 504 3HD1 ILE 143 3HD1 ILE 143 174.985 4.444 1.149 505 H GLU 144 H GLU 144 180.130 5.839 2.987 506 HA GLU 144 HA GLU 144 180.972 8.311 1.831 507 1HB GLU 144 2HB GLU 144 181.768 6.784 4.327 508 2HB GLU 144 1HB GLU 144 182.278 8.443 4.011 509 1HG GLU 144 2HG GLU 144 179.916 9.143 3.851 510 2HG GLU 144 1HG GLU 144 179.404 7.486 4.171 511 H ASP 145 H ASP 145 182.616 5.203 2.097 512 HA ASP 145 HA ASP 145 185.194 6.389 1.275 513 1HB ASP 145 2HB ASP 145 185.044 4.580 2.987 514 2HB ASP 145 1HB ASP 145 184.344 3.513 1.769 515 H VAL 146 H VAL 146 182.415 5.037 -0.259 516 HA VAL 146 HA VAL 146 183.951 4.385 -2.729 517 HB VAL 146 HB VAL 146 181.108 3.921 -1.767 518 1HG1 VAL 146 1HG1 VAL 146 181.171 2.446 -3.994 519 2HG1 VAL 146 2HG1 VAL 146 182.285 3.712 -4.513 520 3HG1 VAL 146 3HG1 VAL 146 180.641 4.128 -4.030 521 1HG2 VAL 146 1HG2 VAL 146 182.958 1.785 -2.732 522 2HG2 VAL 146 2HG2 VAL 146 181.760 1.732 -1.439 523 3HG2 VAL 146 3HG2 VAL 146 183.312 2.524 -1.170 524 H LEU 147 H LEU 147 181.193 6.359 -1.612 525 HA LEU 147 HA LEU 147 180.764 7.857 -4.036 526 1HB LEU 147 2HB LEU 147 179.663 7.610 -1.482 527 2HB LEU 147 1HB LEU 147 180.246 9.271 -1.525 528 HG LEU 147 HG LEU 147 178.638 8.126 -3.807 529 1HD1 LEU 147 1HD1 LEU 147 177.731 8.995 -1.108 530 2HD1 LEU 147 2HD1 LEU 147 176.989 7.855 -2.231 531 3HD1 LEU 147 3HD1 LEU 147 176.804 9.590 -2.485 532 1HD2 LEU 147 1HD2 LEU 147 179.614 10.788 -2.885 533 2HD2 LEU 147 2HD2 LEU 147 178.022 10.743 -3.640 534 3HD2 LEU 147 3HD2 LEU 147 179.433 10.165 -4.525 535 H ARG 148 H ARG 148 183.151 8.193 -1.516 536 HA ARG 148 HA ARG 148 183.893 10.906 -1.741 537 1HB ARG 148 2HB ARG 148 185.121 8.331 -0.965 538 2HB ARG 148 1HB ARG 148 186.273 9.598 -1.387 539 1HG ARG 148 2HG ARG 148 183.971 10.103 0.505 540 2HG ARG 148 1HG ARG 148 185.528 9.495 1.070 541 1HD ARG 148 2HD ARG 148 185.318 11.987 -0.642 542 2HD ARG 148 1HD ARG 148 185.255 12.045 1.131 543 HE ARG 148 HE ARG 148 187.459 10.480 0.689 544 1HH1 ARG 148 1HH2 ARG 148 186.885 12.562 -1.783 545 2HH1 ARG 148 2HH2 ARG 148 188.256 13.588 -1.521 546 1HH2 ARG 148 2HH1 ARG 148 189.031 12.207 1.565 547 2HH2 ARG 148 1HH1 ARG 148 189.471 13.387 0.375 548 H GLN 149 HN GLN 149 185.114 8.118 -3.642 549 HA GLN 149 HA GLN 149 185.860 10.014 -5.834 550 1HB GLN 149 2HB GLN 149 187.526 7.864 -4.497 551 2HB GLN 149 1HB GLN 149 187.973 8.611 -6.032 552 1HG GLN 149 2HG GLN 149 187.965 10.831 -4.959 553 2HG GLN 149 1HG GLN 149 187.519 10.088 -3.422 554 1HE2 GLN 149 1HE2 GLN 149 189.454 10.446 -2.233 555 2HE2 GLN 149 2HE2 GLN 149 190.966 9.835 -2.702 Start of MODEL 15 1 1H LYS 80 H LYS 80 177.806 16.838 -6.555 2 HA LYS 80 HA LYS 80 176.321 17.502 -8.560 3 1HB LYS 80 2HB LYS 80 177.352 14.778 -9.116 4 2HB LYS 80 1HB LYS 80 175.676 15.059 -9.589 5 1HG LYS 80 2HG LYS 80 177.621 17.197 -10.292 6 2HG LYS 80 1HG LYS 80 177.762 15.682 -11.186 7 1HD LYS 80 2HD LYS 80 175.056 16.935 -10.819 8 2HD LYS 80 1HD LYS 80 176.141 17.556 -12.065 9 1HE LYS 80 2HE LYS 80 176.399 15.108 -12.835 10 2HE LYS 80 1HE LYS 80 174.983 14.771 -11.821 11 1HZ LYS 80 1HZ LYS 80 174.323 15.382 -14.078 12 2HZ LYS 80 2HZ LYS 80 175.136 16.867 -13.924 13 3HZ LYS 80 3HZ LYS 80 173.784 16.531 -12.953 14 H ALA 81 H ALA 81 176.294 14.568 -6.574 15 HA ALA 81 HA ALA 81 173.397 15.011 -5.894 16 1HB ALA 81 1HB ALA 81 173.243 12.691 -5.795 17 2HB ALA 81 2HB ALA 81 174.952 12.494 -5.411 18 3HB ALA 81 3HB ALA 81 174.459 12.890 -7.057 19 H LYS 82 H LYS 82 172.826 14.565 -3.604 20 HA LYS 82 HA LYS 82 175.064 15.270 -1.733 21 1HB LYS 82 2HB LYS 82 172.048 15.576 -1.652 22 2HB LYS 82 1HB LYS 82 173.113 15.998 -0.310 23 1HG LYS 82 2HG LYS 82 173.577 17.122 -3.069 24 2HG LYS 82 1HG LYS 82 172.443 17.886 -1.954 25 1HD LYS 82 2HD LYS 82 174.226 18.093 -0.267 26 2HD LYS 82 1HD LYS 82 175.365 17.318 -1.369 27 1HE LYS 82 2HE LYS 82 175.807 19.580 -1.788 28 2HE LYS 82 1HE LYS 82 174.568 19.254 -3.016 29 1HZ LYS 82 1HZ LYS 82 172.869 19.981 -1.492 30 2HZ LYS 82 2HZ LYS 82 174.028 21.213 -1.653 31 3HZ LYS 82 3HZ LYS 82 174.013 20.233 -0.266 32 H THR 83 H THR 83 175.045 14.291 0.334 33 HA THR 83 HA THR 83 175.033 11.470 0.428 34 HB THR 83 HB THR 83 174.382 13.271 2.780 35 HG1 THR 83 HG1 THR 83 176.115 14.298 2.231 36 1HG2 THR 83 1HG2 THR 83 175.153 10.514 2.472 37 2HG2 THR 83 2HG2 THR 83 174.793 11.399 3.955 38 3HG2 THR 83 3HG2 THR 83 176.435 11.386 3.312 39 H GLU 84 H GLU 84 172.419 13.737 0.959 40 HA GLU 84 HA GLU 84 170.427 12.207 2.207 41 1HB GLU 84 2HB GLU 84 170.353 14.262 -0.026 42 2HB GLU 84 1HB GLU 84 168.899 13.708 0.817 43 1HG GLU 84 2HG GLU 84 169.862 14.442 2.970 44 2HG GLU 84 1HG GLU 84 171.311 14.998 2.132 45 H ASP 85 H ASP 85 171.385 12.189 -1.215 46 HA ASP 85 HA ASP 85 169.240 10.609 -2.245 47 1HB ASP 85 2HB ASP 85 170.904 11.888 -3.574 48 2HB ASP 85 1HB ASP 85 172.159 10.749 -3.083 49 H PHE 86 H PHE 86 172.482 9.626 -1.121 50 HA PHE 86 HA PHE 86 171.938 6.772 -1.341 51 1HB PHE 86 2HB PHE 86 174.113 8.605 -0.524 52 2HB PHE 86 1HB PHE 86 174.133 7.029 0.268 53 HD1 PHE 86 HD1 PHE 86 175.615 8.647 -2.314 54 HD2 PHE 86 HD2 PHE 86 173.241 5.127 -1.656 55 HE1 PHE 86 HE1 PHE 86 176.553 7.627 -4.370 56 HE2 PHE 86 HE2 PHE 86 174.181 4.108 -3.711 57 HZ PHE 86 HZ PHE 86 175.836 5.357 -5.071 58 H VAL 87 H VAL 87 171.981 9.105 1.383 59 HA VAL 87 HA VAL 87 171.731 7.185 3.464 60 HB VAL 87 HB VAL 87 170.781 10.062 3.256 61 1HG1 VAL 87 1HG1 VAL 87 170.943 8.121 5.529 62 2HG1 VAL 87 2HG1 VAL 87 169.766 9.400 5.230 63 3HG1 VAL 87 3HG1 VAL 87 171.370 9.804 5.843 64 1HG2 VAL 87 1HG2 VAL 87 172.937 10.701 3.728 65 2HG2 VAL 87 2HG2 VAL 87 173.317 9.165 2.951 66 3HG2 VAL 87 3HG2 VAL 87 173.256 9.272 4.710 67 H LYS 88 H LYS 88 169.192 9.134 1.830 68 HA LYS 88 HA LYS 88 166.937 8.078 3.206 69 1HB LYS 88 2HB LYS 88 167.015 10.103 1.758 70 2HB LYS 88 1HB LYS 88 167.176 9.061 0.343 71 1HG LYS 88 2HG LYS 88 165.007 8.038 0.803 72 2HG LYS 88 1HG LYS 88 164.851 8.976 2.289 73 1HD LYS 88 2HD LYS 88 164.799 11.057 1.032 74 2HD LYS 88 1HD LYS 88 165.116 10.195 -0.474 75 1HE LYS 88 2HE LYS 88 162.853 10.100 -0.717 76 2HE LYS 88 1HE LYS 88 162.874 8.888 0.579 77 1HZ LYS 88 1HZ LYS 88 161.445 10.762 1.158 78 2HZ LYS 88 2HZ LYS 88 162.750 11.834 0.969 79 3HZ LYS 88 3HZ LYS 88 162.775 10.669 2.206 80 H ALA 89 H ALA 89 168.697 6.877 0.392 81 HA ALA 89 HA ALA 89 166.796 4.887 -0.448 82 1HB ALA 89 1HB ALA 89 168.468 4.333 -1.964 83 2HB ALA 89 2HB ALA 89 169.758 4.589 -0.790 84 3HB ALA 89 3HB ALA 89 168.949 5.973 -1.526 85 H PHE 90 H PHE 90 169.677 4.632 1.699 86 HA PHE 90 HA PHE 90 169.276 1.777 2.143 87 1HB PHE 90 2HB PHE 90 171.092 3.973 3.003 88 2HB PHE 90 1HB PHE 90 170.994 2.566 4.061 89 HD1 PHE 90 HD1 PHE 90 172.030 3.808 0.765 90 HD2 PHE 90 HD2 PHE 90 171.641 0.337 3.264 91 HE1 PHE 90 HE1 PHE 90 173.502 2.535 -0.773 92 HE2 PHE 90 HE2 PHE 90 173.110 -0.934 1.729 93 HZ PHE 90 HZ PHE 90 174.042 0.163 -0.292 94 H GLN 91 H GLN 91 169.162 4.563 4.376 95 HA GLN 91 HA GLN 91 168.233 3.360 6.670 96 1HB GLN 91 2HB GLN 91 167.701 6.046 5.415 97 2HB GLN 91 1HB GLN 91 167.106 5.660 7.030 98 1HG GLN 91 2HG GLN 91 169.985 5.137 6.352 99 2HG GLN 91 1HG GLN 91 169.470 6.775 6.759 100 1HE2 GLN 91 1HE2 GLN 91 168.505 7.109 8.936 101 2HE2 GLN 91 2HE2 GLN 91 168.837 6.012 10.189 102 H VAL 92 H VAL 92 166.212 4.082 3.829 103 HA VAL 92 HA VAL 92 163.704 3.889 5.145 104 HB VAL 92 HB VAL 92 164.042 4.756 2.862 105 1HG1 VAL 92 1HG1 VAL 92 164.933 3.534 1.128 106 2HG1 VAL 92 2HG1 VAL 92 164.281 2.009 1.729 107 3HG1 VAL 92 3HG1 VAL 92 165.723 2.704 2.467 108 1HG2 VAL 92 1HG2 VAL 92 161.802 4.053 3.274 109 2HG2 VAL 92 2HG2 VAL 92 162.234 2.350 3.128 110 3HG2 VAL 92 3HG2 VAL 92 162.224 3.382 1.699 111 H PHE 93 H PHE 93 165.910 1.418 3.946 112 HA PHE 93 HA PHE 93 164.108 -0.853 4.221 113 1HB PHE 93 2HB PHE 93 166.178 -0.742 2.805 114 2HB PHE 93 1HB PHE 93 167.143 -0.698 4.277 115 HD1 PHE 93 HD1 PHE 93 165.551 -2.788 1.879 116 HD2 PHE 93 HD2 PHE 93 166.783 -2.629 5.986 117 HE1 PHE 93 HE1 PHE 93 165.458 -5.265 2.000 118 HE2 PHE 93 HE2 PHE 93 166.693 -5.104 6.111 119 HZ PHE 93 HZ PHE 93 166.031 -6.423 4.117 120 H ASP 94 H ASP 94 166.800 0.415 6.246 121 HA ASP 94 HA ASP 94 165.958 -1.347 8.469 122 1HB ASP 94 2HB ASP 94 168.007 -0.392 9.550 123 2HB ASP 94 1HB ASP 94 168.342 -1.081 7.963 124 H LYS 95 H LYS 95 163.853 -0.278 8.745 125 HA LYS 95 HA LYS 95 163.520 2.489 9.365 126 1HB LYS 95 2HB LYS 95 161.332 1.729 10.216 127 2HB LYS 95 1HB LYS 95 161.727 0.920 8.702 128 1HG LYS 95 2HG LYS 95 162.507 -1.059 9.955 129 2HG LYS 95 1HG LYS 95 162.129 -0.248 11.474 130 1HD LYS 95 2HD LYS 95 159.742 -0.004 10.574 131 2HD LYS 95 1HD LYS 95 160.210 -1.155 9.322 132 1HE LYS 95 2HE LYS 95 160.268 -2.923 10.789 133 2HE LYS 95 1HE LYS 95 160.877 -1.923 12.123 134 1HZ LYS 95 1HZ LYS 95 158.751 -0.943 12.413 135 2HZ LYS 95 2HZ LYS 95 158.499 -2.622 12.351 136 3HZ LYS 95 3HZ LYS 95 158.144 -1.656 11.000 137 H GLU 96 H GLU 96 164.873 -0.091 11.293 138 HA GLU 96 HA GLU 96 164.307 1.250 13.858 139 1HB GLU 96 2HB GLU 96 165.915 -1.194 13.047 140 2HB GLU 96 1HB GLU 96 165.579 -0.723 14.713 141 1HG GLU 96 2HG GLU 96 163.435 -1.266 12.642 142 2HG GLU 96 1HG GLU 96 163.987 -2.450 13.827 143 H SER 97 H SER 97 166.232 2.292 11.547 144 HA SER 97 HA SER 97 168.336 3.263 11.349 145 1HB SER 97 2HB SER 97 168.597 4.888 13.273 146 2HB SER 97 1HB SER 97 167.013 4.886 12.504 147 HG SER 97 HG SER 97 167.423 4.617 15.003 148 H THR 98 H THR 98 168.692 0.508 12.416 149 HA THR 98 HA THR 98 170.467 0.496 14.672 150 HB THR 98 HB THR 98 169.402 -1.527 13.887 151 HG1 THR 98 HG1 THR 98 171.354 -1.955 14.780 152 1HG2 THR 98 1HG2 THR 98 169.928 -0.566 11.320 153 2HG2 THR 98 2HG2 THR 98 169.234 -2.131 11.722 154 3HG2 THR 98 3HG2 THR 98 170.971 -1.977 11.472 155 H GLY 99 H GLY 99 171.019 1.008 11.213 156 1HA GLY 99 2HA GLY 99 172.832 2.350 10.354 157 2HA GLY 99 1HA GLY 99 173.710 2.073 11.854 158 H LYS 100 H LYS 100 172.372 -0.841 10.678 159 HA LYS 100 HA LYS 100 174.916 -1.504 9.247 160 1HB LYS 100 2HB LYS 100 173.417 -3.034 11.394 161 2HB LYS 100 1HB LYS 100 174.750 -3.713 10.462 162 1HG LYS 100 2HG LYS 100 176.004 -2.893 12.189 163 2HG LYS 100 1HG LYS 100 175.891 -1.393 11.268 164 1HD LYS 100 2HD LYS 100 174.532 -0.411 12.800 165 2HD LYS 100 1HD LYS 100 173.578 -1.876 13.027 166 1HE LYS 100 2HE LYS 100 174.994 -2.702 14.696 167 2HE LYS 100 1HE LYS 100 176.382 -1.756 14.122 168 1HZ LYS 100 1HZ LYS 100 175.284 -0.823 16.140 169 2HZ LYS 100 2HZ LYS 100 173.895 -0.546 15.203 170 3HZ LYS 100 3HZ LYS 100 175.349 0.251 14.829 171 H VAL 101 H VAL 101 174.655 -3.241 7.647 172 HA VAL 101 HA VAL 101 171.926 -4.254 7.137 173 HB VAL 101 HB VAL 101 172.011 -3.384 4.777 174 1HG1 VAL 101 1HG1 VAL 101 172.370 -1.120 6.750 175 2HG1 VAL 101 2HG1 VAL 101 170.931 -2.139 6.734 176 3HG1 VAL 101 3HG1 VAL 101 171.336 -1.163 5.322 177 1HG2 VAL 101 1HG2 VAL 101 174.595 -3.172 4.920 178 2HG2 VAL 101 2HG2 VAL 101 174.283 -1.619 5.692 179 3HG2 VAL 101 3HG2 VAL 101 173.714 -1.915 4.050 180 H SER 102 H SER 102 171.953 -5.994 5.477 181 HA SER 102 HA SER 102 174.401 -7.618 5.637 182 1HB SER 102 2HB SER 102 172.867 -9.155 4.271 183 2HB SER 102 1HB SER 102 172.295 -8.715 5.878 184 HG SER 102 HG SER 102 170.629 -7.896 4.913 185 H VAL 103 H VAL 103 175.759 -8.108 3.884 186 HA VAL 103 HA VAL 103 176.187 -6.196 1.843 187 HB VAL 103 HB VAL 103 177.813 -7.862 2.678 188 1HG1 VAL 103 1HG1 VAL 103 177.670 -10.193 2.069 189 2HG1 VAL 103 2HG1 VAL 103 176.260 -9.893 1.053 190 3HG1 VAL 103 3HG1 VAL 103 176.131 -9.743 2.805 191 1HG2 VAL 103 1HG2 VAL 103 177.182 -7.712 -0.259 192 2HG2 VAL 103 2HG2 VAL 103 178.512 -8.726 0.297 193 3HG2 VAL 103 3HG2 VAL 103 178.526 -6.993 0.628 194 H GLY 104 H GLY 104 174.309 -9.250 1.716 195 1HA GLY 104 2HA GLY 104 173.792 -9.265 -1.070 196 2HA GLY 104 1HA GLY 104 172.754 -10.007 0.146 197 H ASP 105 H ASP 105 172.041 -7.663 1.585 198 HA ASP 105 HA ASP 105 169.968 -6.593 -0.190 199 1HB ASP 105 2HB ASP 105 169.960 -7.226 2.364 200 2HB ASP 105 1HB ASP 105 170.613 -5.601 2.577 201 H LEU 106 H LEU 106 172.879 -5.369 1.435 202 HA LEU 106 HA LEU 106 172.610 -2.608 0.798 203 1HB LEU 106 2HB LEU 106 174.216 -3.570 2.401 204 2HB LEU 106 1HB LEU 106 175.072 -4.368 1.082 205 HG LEU 106 HG LEU 106 174.708 -1.464 0.690 206 1HD1 LEU 106 1HD1 LEU 106 176.010 -2.567 3.141 207 2HD1 LEU 106 2HD1 LEU 106 175.184 -1.026 2.904 208 3HD1 LEU 106 3HD1 LEU 106 176.830 -1.245 2.309 209 1HD2 LEU 106 1HD2 LEU 106 177.176 -1.709 0.169 210 2HD2 LEU 106 2HD2 LEU 106 176.118 -2.733 -0.802 211 3HD2 LEU 106 3HD2 LEU 106 177.016 -3.425 0.549 212 H ARG 107 H ARG 107 174.370 -5.186 -0.984 213 HA ARG 107 HA ARG 107 175.166 -3.518 -3.175 214 1HB ARG 107 2HB ARG 107 175.969 -5.859 -2.402 215 2HB ARG 107 1HB ARG 107 174.603 -6.486 -3.327 216 1HG ARG 107 2HG ARG 107 175.663 -4.793 -5.160 217 2HG ARG 107 1HG ARG 107 177.129 -5.244 -4.286 218 1HD ARG 107 2HD ARG 107 177.030 -7.440 -4.986 219 2HD ARG 107 1HD ARG 107 175.256 -7.458 -5.011 220 HE ARG 107 HE ARG 107 175.889 -5.647 -6.996 221 1HH1 ARG 107 1HH2 ARG 107 175.175 -8.802 -6.952 222 2HH1 ARG 107 2HH2 ARG 107 176.174 -9.290 -8.278 223 1HH2 ARG 107 2HH1 ARG 107 177.912 -6.292 -8.414 224 2HH2 ARG 107 1HH1 ARG 107 177.725 -7.868 -9.107 225 H TYR 108 H TYR 108 172.174 -5.289 -2.534 226 HA TYR 108 HA TYR 108 171.156 -5.184 -5.232 227 1HB TYR 108 2HB TYR 108 170.438 -6.576 -3.144 228 2HB TYR 108 1HB TYR 108 169.474 -5.161 -2.720 229 HD1 TYR 108 HD1 TYR 108 169.735 -8.081 -4.843 230 HD2 TYR 108 HD2 TYR 108 167.770 -4.289 -4.386 231 HE1 TYR 108 HE1 TYR 108 167.985 -8.795 -6.447 232 HE2 TYR 108 HE2 TYR 108 166.019 -5.002 -5.992 233 HH TYR 108 HH TYR 108 165.127 -7.566 -6.715 234 H MET 109 H MET 109 170.555 -3.055 -2.400 235 HA MET 109 HA MET 109 168.815 -1.275 -3.776 236 1HB MET 109 2HB MET 109 170.488 -1.268 -1.310 237 2HB MET 109 1HB MET 109 169.876 0.290 -1.862 238 1HG MET 109 2HG MET 109 167.722 -1.570 -2.067 239 2HG MET 109 1HG MET 109 168.470 -1.814 -0.492 240 1HE MET 109 1HE MET 109 168.627 1.796 -2.305 241 2HE MET 109 2HE MET 109 166.900 2.130 -2.221 242 3HE MET 109 3HE MET 109 167.473 0.700 -3.075 243 H LEU 110 H LEU 110 172.359 -1.219 -3.321 244 HA LEU 110 HA LEU 110 172.919 1.318 -4.483 245 1HB LEU 110 2HB LEU 110 174.314 -0.880 -3.504 246 2HB LEU 110 1HB LEU 110 174.768 -0.860 -5.207 247 HG LEU 110 HG LEU 110 175.311 1.590 -4.952 248 1HD1 LEU 110 1HD1 LEU 110 175.261 2.646 -2.879 249 2HD1 LEU 110 2HD1 LEU 110 175.382 1.129 -1.989 250 3HD1 LEU 110 3HD1 LEU 110 173.855 1.591 -2.741 251 1HD2 LEU 110 1HD2 LEU 110 177.477 1.119 -4.260 252 2HD2 LEU 110 2HD2 LEU 110 176.895 -0.515 -4.585 253 3HD2 LEU 110 3HD2 LEU 110 176.939 0.092 -2.930 254 H THR 111 H THR 111 172.549 -1.878 -5.964 255 HA THR 111 HA THR 111 172.986 -1.157 -8.702 256 HB THR 111 HB THR 111 171.127 -3.250 -7.525 257 HG1 THR 111 HG1 THR 111 172.884 -4.473 -7.268 258 1HG2 THR 111 1HG2 THR 111 172.706 -3.646 -10.022 259 2HG2 THR 111 2HG2 THR 111 171.288 -2.603 -10.114 260 3HG2 THR 111 3HG2 THR 111 171.118 -4.277 -9.586 261 H GLY 112 H GLY 112 170.205 -0.849 -6.596 262 1HA GLY 112 2HA GLY 112 168.401 -0.029 -8.778 263 2HA GLY 112 1HA GLY 112 167.968 -0.185 -7.077 264 H LEU 113 H LEU 113 170.662 1.439 -6.649 265 HA LEU 113 HA LEU 113 169.294 4.055 -6.564 266 1HB LEU 113 2HB LEU 113 170.847 2.579 -4.849 267 2HB LEU 113 1HB LEU 113 172.026 3.712 -5.504 268 HG LEU 113 HG LEU 113 169.350 4.500 -4.311 269 1HD1 LEU 113 1HD1 LEU 113 170.595 3.795 -2.459 270 2HD1 LEU 113 2HD1 LEU 113 171.025 5.502 -2.561 271 3HD1 LEU 113 3HD1 LEU 113 172.128 4.276 -3.185 272 1HD2 LEU 113 1HD2 LEU 113 170.088 6.132 -5.927 273 2HD2 LEU 113 2HD2 LEU 113 171.741 6.070 -5.315 274 3HD2 LEU 113 3HD2 LEU 113 170.462 6.778 -4.329 275 H GLY 114 H GLY 114 171.099 2.624 -8.955 276 1HA GLY 114 2HA GLY 114 171.909 3.949 -10.845 277 2HA GLY 114 1HA GLY 114 172.334 5.233 -9.711 278 H GLU 115 H GLU 115 172.982 1.871 -9.138 279 HA GLU 115 HA GLU 115 175.939 2.408 -9.342 280 1HB GLU 115 2HB GLU 115 174.742 1.841 -7.092 281 2HB GLU 115 1HB GLU 115 174.688 0.198 -7.731 282 1HG GLU 115 2HG GLU 115 176.714 0.363 -6.456 283 2HG GLU 115 1HG GLU 115 177.183 0.397 -8.156 284 H LYS 116 H LYS 116 176.837 1.364 -11.094 285 HA LYS 116 HA LYS 116 175.670 -1.271 -11.844 286 1HB LYS 116 2HB LYS 116 176.750 0.951 -13.626 287 2HB LYS 116 1HB LYS 116 176.300 -0.647 -14.223 288 1HG LYS 116 2HG LYS 116 173.997 -0.308 -13.409 289 2HG LYS 116 1HG LYS 116 174.442 1.293 -12.815 290 1HD LYS 116 2HD LYS 116 175.031 1.985 -15.110 291 2HD LYS 116 1HD LYS 116 174.581 0.387 -15.706 292 1HE LYS 116 2HE LYS 116 172.276 0.861 -14.568 293 2HE LYS 116 1HE LYS 116 172.795 2.558 -14.617 294 1HZ LYS 116 1HZ LYS 116 172.611 0.669 -16.900 295 2HZ LYS 116 2HZ LYS 116 173.384 2.179 -16.993 296 3HZ LYS 116 3HZ LYS 116 171.718 2.093 -16.673 297 H LEU 117 H LEU 117 177.425 -1.549 -10.071 298 HA LEU 117 HA LEU 117 180.171 -1.801 -11.169 299 1HB LEU 117 2HB LEU 117 178.925 -2.426 -8.464 300 2HB LEU 117 1HB LEU 117 180.651 -2.419 -8.825 301 HG LEU 117 HG LEU 117 178.860 -0.003 -9.182 302 1HD1 LEU 117 1HD1 LEU 117 178.869 -0.298 -6.852 303 2HD1 LEU 117 2HD1 LEU 117 180.258 0.755 -7.113 304 3HD1 LEU 117 3HD1 LEU 117 180.499 -0.971 -6.848 305 1HD2 LEU 117 1HD2 LEU 117 180.869 0.043 -10.562 306 2HD2 LEU 117 2HD2 LEU 117 181.868 -0.414 -9.182 307 3HD2 LEU 117 3HD2 LEU 117 181.081 1.164 -9.217 308 H THR 118 H THR 118 181.133 -3.916 -11.414 309 HA THR 118 HA THR 118 179.141 -6.152 -11.543 310 HB THR 118 HB THR 118 181.791 -5.972 -12.963 311 HG1 THR 118 HG1 THR 118 179.275 -5.064 -13.896 312 1HG2 THR 118 1HG2 THR 118 180.829 -8.149 -13.076 313 2HG2 THR 118 2HG2 THR 118 180.450 -7.382 -14.618 314 3HG2 THR 118 3HG2 THR 118 179.216 -7.496 -13.363 315 H ASP 119 H ASP 119 179.643 -8.085 -10.391 316 HA ASP 119 HA ASP 119 181.094 -8.229 -8.106 317 1HB ASP 119 2HB ASP 119 179.642 -9.959 -9.250 318 2HB ASP 119 1HB ASP 119 181.070 -10.445 -10.164 319 H ALA 120 H ALA 120 182.553 -8.359 -11.324 320 HA ALA 120 HA ALA 120 185.171 -9.344 -10.631 321 1HB ALA 120 1HB ALA 120 184.148 -7.414 -12.741 322 2HB ALA 120 2HB ALA 120 184.370 -9.154 -12.925 323 3HB ALA 120 3HB ALA 120 185.772 -8.100 -12.737 324 H GLU 121 H GLU 121 183.952 -5.991 -11.015 325 HA GLU 121 HA GLU 121 186.348 -4.795 -9.851 326 1HB GLU 121 2HB GLU 121 183.594 -3.825 -10.654 327 2HB GLU 121 1HB GLU 121 184.826 -2.745 -10.007 328 1HG GLU 121 2HG GLU 121 186.353 -3.333 -11.819 329 2HG GLU 121 1HG GLU 121 185.198 -4.512 -12.442 330 H VAL 122 H VAL 122 183.001 -5.369 -8.762 331 HA VAL 122 HA VAL 122 183.156 -4.112 -6.192 332 HB VAL 122 HB VAL 122 181.570 -6.532 -7.127 333 1HG1 VAL 122 1HG1 VAL 122 181.272 -6.462 -4.795 334 2HG1 VAL 122 2HG1 VAL 122 179.927 -5.484 -5.382 335 3HG1 VAL 122 3HG1 VAL 122 181.373 -4.701 -4.738 336 1HG2 VAL 122 1HG2 VAL 122 181.040 -3.552 -7.252 337 2HG2 VAL 122 2HG2 VAL 122 179.791 -4.769 -7.506 338 3HG2 VAL 122 3HG2 VAL 122 181.160 -4.669 -8.610 339 H ASP 123 H ASP 123 184.128 -7.380 -7.235 340 HA ASP 123 HA ASP 123 184.558 -8.435 -4.603 341 1HB ASP 123 2HB ASP 123 184.441 -9.790 -6.679 342 2HB ASP 123 1HB ASP 123 185.933 -9.045 -7.251 343 H GLU 124 H GLU 124 186.636 -6.597 -6.817 344 HA GLU 124 HA GLU 124 189.087 -6.683 -5.327 345 1HB GLU 124 2HB GLU 124 187.857 -4.549 -7.103 346 2HB GLU 124 1HB GLU 124 189.558 -4.622 -6.642 347 1HG GLU 124 2HG GLU 124 189.322 -7.109 -7.586 348 2HG GLU 124 1HG GLU 124 188.027 -6.363 -8.522 349 H LEU 125 H LEU 125 186.438 -4.286 -5.338 350 HA LEU 125 HA LEU 125 187.433 -2.536 -3.329 351 1HB LEU 125 2HB LEU 125 184.657 -3.317 -4.250 352 2HB LEU 125 1HB LEU 125 184.960 -1.979 -3.143 353 HG LEU 125 HG LEU 125 186.254 -2.234 -5.869 354 1HD1 LEU 125 1HD1 LEU 125 183.895 -0.533 -5.003 355 2HD1 LEU 125 2HD1 LEU 125 183.799 -1.947 -6.053 356 3HD1 LEU 125 3HD1 LEU 125 184.661 -0.505 -6.591 357 1HD2 LEU 125 1HD2 LEU 125 186.506 0.318 -5.343 358 2HD2 LEU 125 2HD2 LEU 125 187.609 -0.822 -4.572 359 3HD2 LEU 125 3HD2 LEU 125 186.236 -0.176 -3.671 360 H LEU 126 H LEU 126 185.119 -5.240 -3.074 361 HA LEU 126 HA LEU 126 184.694 -5.161 -0.262 362 1HB LEU 126 2HB LEU 126 184.532 -7.301 -2.385 363 2HB LEU 126 1HB LEU 126 184.048 -7.608 -0.716 364 HG LEU 126 HG LEU 126 182.962 -5.295 -2.337 365 1HD1 LEU 126 1HD1 LEU 126 182.411 -7.504 -3.380 366 2HD1 LEU 126 2HD1 LEU 126 180.991 -6.658 -2.764 367 3HD1 LEU 126 3HD1 LEU 126 181.682 -8.002 -1.852 368 1HD2 LEU 126 1HD2 LEU 126 181.146 -5.484 -0.582 369 2HD2 LEU 126 2HD2 LEU 126 182.719 -5.002 0.051 370 3HD2 LEU 126 3HD2 LEU 126 182.162 -6.663 0.249 371 H LYS 127 H LYS 127 187.431 -6.288 -2.083 372 HA LYS 127 HA LYS 127 188.451 -8.377 -0.531 373 1HB LYS 127 2HB LYS 127 189.209 -7.281 -2.744 374 2HB LYS 127 1HB LYS 127 190.164 -6.204 -1.725 375 1HG LYS 127 2HG LYS 127 191.290 -8.138 -0.705 376 2HG LYS 127 1HG LYS 127 190.316 -9.233 -1.689 377 1HD LYS 127 2HD LYS 127 191.277 -7.758 -3.677 378 2HD LYS 127 1HD LYS 127 192.562 -7.434 -2.515 379 1HE LYS 127 2HE LYS 127 191.881 -10.277 -2.568 380 2HE LYS 127 1HE LYS 127 192.385 -9.689 -4.164 381 1HZ LYS 127 1HZ LYS 127 193.827 -9.119 -1.629 382 2HZ LYS 127 2HZ LYS 127 194.320 -8.686 -3.197 383 3HZ LYS 127 3HZ LYS 127 194.281 -10.321 -2.737 384 H GLY 128 H GLY 128 188.196 -5.011 0.377 385 1HA GLY 128 2HA GLY 128 190.097 -5.476 2.634 386 2HA GLY 128 1HA GLY 128 189.786 -3.892 1.932 387 H VAL 129 H VAL 129 186.770 -5.049 1.891 388 HA VAL 129 HA VAL 129 185.967 -3.597 4.266 389 HB VAL 129 HB VAL 129 184.683 -3.896 2.093 390 1HG1 VAL 129 1HG1 VAL 129 183.443 -6.400 3.016 391 2HG1 VAL 129 2HG1 VAL 129 185.123 -6.589 2.523 392 3HG1 VAL 129 3HG1 VAL 129 183.945 -5.925 1.394 393 1HG2 VAL 129 1HG2 VAL 129 183.599 -4.271 4.840 394 2HG2 VAL 129 2HG2 VAL 129 182.484 -4.552 3.503 395 3HG2 VAL 129 3HG2 VAL 129 183.283 -2.988 3.671 396 H GLU 130 H GLU 130 185.597 -4.264 6.260 397 HA GLU 130 HA GLU 130 186.103 -7.132 6.971 398 1HB GLU 130 2HB GLU 130 187.474 -5.254 7.909 399 2HB GLU 130 1HB GLU 130 186.010 -4.612 8.652 400 1HG GLU 130 2HG GLU 130 185.721 -6.654 9.953 401 2HG GLU 130 1HG GLU 130 187.105 -7.395 9.147 402 H VAL 131 H VAL 131 184.120 -8.155 6.812 403 HA VAL 131 HA VAL 131 181.664 -6.932 7.948 404 HB VAL 131 HB VAL 131 180.616 -8.965 7.061 405 1HG1 VAL 131 1HG1 VAL 131 180.860 -8.436 4.823 406 2HG1 VAL 131 2HG1 VAL 131 182.615 -8.310 4.933 407 3HG1 VAL 131 3HG1 VAL 131 181.597 -7.010 5.554 408 1HG2 VAL 131 1HG2 VAL 131 181.870 -10.851 7.257 409 2HG2 VAL 131 2HG2 VAL 131 183.390 -9.959 7.195 410 3HG2 VAL 131 3HG2 VAL 131 182.555 -10.381 5.700 411 H ASP 132 H ASP 132 180.450 -8.109 9.653 412 HA ASP 132 HA ASP 132 182.310 -9.143 11.720 413 1HB ASP 132 2HB ASP 132 179.425 -8.218 11.674 414 2HB ASP 132 1HB ASP 132 180.221 -8.819 13.129 415 H SER 133 H SER 133 180.998 -10.802 13.210 416 HA SER 133 HA SER 133 180.844 -13.291 11.748 417 1HB SER 133 2HB SER 133 179.982 -14.042 14.075 418 2HB SER 133 1HB SER 133 181.603 -13.358 13.982 419 HG SER 133 HG SER 133 180.948 -11.700 15.103 420 H ASN 134 H ASN 134 178.506 -10.865 11.867 421 HA ASN 134 HA ASN 134 176.235 -12.811 11.745 422 1HB ASN 134 2HB ASN 134 176.423 -10.727 13.341 423 2HB ASN 134 1HB ASN 134 176.017 -9.812 11.890 424 1HD2 ASN 134 1HD2 ASN 134 174.313 -10.239 14.318 425 2HD2 ASN 134 2HD2 ASN 134 172.895 -10.983 13.757 426 H GLY 135 H GLY 135 178.311 -10.991 9.740 427 1HA GLY 135 2HA GLY 135 178.239 -10.911 7.368 428 2HA GLY 135 1HA GLY 135 176.589 -11.534 7.421 429 H GLU 136 H GLU 136 177.536 -8.809 9.390 430 HA GLU 136 HA GLU 136 175.742 -7.052 7.751 431 1HB GLU 136 2HB GLU 136 176.551 -7.178 10.660 432 2HB GLU 136 1HB GLU 136 175.722 -5.776 9.984 433 1HG GLU 136 2HG GLU 136 173.876 -7.234 9.227 434 2HG GLU 136 1HG GLU 136 174.700 -8.631 9.918 435 H ILE 137 H ILE 137 176.468 -5.154 6.978 436 HA ILE 137 HA ILE 137 179.270 -4.295 7.620 437 HB ILE 137 HB ILE 137 177.810 -4.451 4.954 438 1HG1 ILE 137 2HG1 ILE 137 180.005 -5.851 4.527 439 2HG1 ILE 137 1HG1 ILE 137 180.021 -5.996 6.283 440 1HG2 ILE 137 1HG2 ILE 137 180.041 -3.681 4.028 441 2HG2 ILE 137 2HG2 ILE 137 180.507 -3.271 5.678 442 3HG2 ILE 137 3HG2 ILE 137 179.149 -2.445 4.914 443 1HD1 ILE 137 1HD1 ILE 137 178.352 -7.512 6.251 444 2HD1 ILE 137 2HD1 ILE 137 178.553 -7.578 4.501 445 3HD1 ILE 137 3HD1 ILE 137 177.358 -6.492 5.210 446 H ASP 138 H ASP 138 179.543 -1.888 6.984 447 HA ASP 138 HA ASP 138 177.135 -0.409 7.905 448 1HB ASP 138 2HB ASP 138 179.399 -0.181 8.970 449 2HB ASP 138 1HB ASP 138 179.998 0.495 7.457 450 H TYR 139 H TYR 139 175.830 0.313 6.252 451 HA TYR 139 HA TYR 139 176.609 0.529 3.503 452 1HB TYR 139 2HB TYR 139 174.380 1.502 3.250 453 2HB TYR 139 1HB TYR 139 174.324 0.133 4.354 454 HD1 TYR 139 HD1 TYR 139 174.255 3.828 4.115 455 HD2 TYR 139 HD2 TYR 139 173.782 0.424 6.691 456 HE1 TYR 139 HE1 TYR 139 173.247 5.282 5.853 457 HE2 TYR 139 HE2 TYR 139 172.780 1.880 8.429 458 HH TYR 139 HH TYR 139 172.988 5.223 8.371 459 H LYS 140 H LYS 140 176.432 2.956 6.106 460 HA LYS 140 HA LYS 140 176.760 5.247 4.409 461 1HB LYS 140 2HB LYS 140 176.474 4.599 7.194 462 2HB LYS 140 1HB LYS 140 177.830 5.713 7.031 463 1HG LYS 140 2HG LYS 140 176.388 7.237 5.700 464 2HG LYS 140 1HG LYS 140 175.033 6.136 5.945 465 1HD LYS 140 2HD LYS 140 174.864 6.627 8.214 466 2HD LYS 140 1HD LYS 140 176.553 7.124 8.335 467 1HE LYS 140 2HE LYS 140 176.006 9.141 6.934 468 2HE LYS 140 1HE LYS 140 174.296 8.674 7.019 469 1HZ LYS 140 1HZ LYS 140 174.346 8.773 9.377 470 2HZ LYS 140 2HZ LYS 140 175.031 10.224 8.819 471 3HZ LYS 140 3HZ LYS 140 176.029 8.982 9.409 472 H LYS 141 H LYS 141 179.040 3.156 6.128 473 HA LYS 141 HA LYS 141 181.401 4.749 5.674 474 1HB LYS 141 2HB LYS 141 180.893 1.836 6.311 475 2HB LYS 141 1HB LYS 141 182.509 2.541 6.277 476 1HG LYS 141 2HG LYS 141 180.247 3.642 7.964 477 2HG LYS 141 1HG LYS 141 181.439 2.491 8.569 478 1HD LYS 141 2HD LYS 141 183.236 4.122 7.824 479 2HD LYS 141 1HD LYS 141 181.946 5.291 7.533 480 1HE LYS 141 2HE LYS 141 181.232 4.660 10.007 481 2HE LYS 141 1HE LYS 141 182.937 4.183 10.141 482 1HZ LYS 141 1HZ LYS 141 181.889 6.808 9.223 483 2HZ LYS 141 2HZ LYS 141 183.522 6.348 9.133 484 3HZ LYS 141 3HZ LYS 141 182.764 6.507 10.645 485 H PHE 142 H PHE 142 180.063 1.911 3.944 486 HA PHE 142 HA PHE 142 182.234 1.756 2.074 487 1HB PHE 142 2HB PHE 142 180.668 -0.094 2.690 488 2HB PHE 142 1HB PHE 142 179.373 0.754 1.845 489 HD1 PHE 142 HD1 PHE 142 178.871 -0.343 -0.152 490 HD2 PHE 142 HD2 PHE 142 182.983 0.119 1.009 491 HE1 PHE 142 HE1 PHE 142 179.596 -1.385 -2.288 492 HE2 PHE 142 HE2 PHE 142 183.703 -0.917 -1.125 493 HZ PHE 142 HZ PHE 142 182.009 -1.668 -2.772 494 H ILE 143 H ILE 143 179.240 3.603 2.131 495 HA ILE 143 HA ILE 143 179.319 4.359 -0.708 496 HB ILE 143 HB ILE 143 177.853 5.347 1.767 497 1HG1 ILE 143 2HG1 ILE 143 176.799 3.755 -0.580 498 2HG1 ILE 143 1HG1 ILE 143 177.411 2.998 0.891 499 1HG2 ILE 143 1HG2 ILE 143 177.624 7.194 0.395 500 2HG2 ILE 143 2HG2 ILE 143 176.287 6.210 -0.200 501 3HG2 ILE 143 3HG2 ILE 143 177.813 6.249 -1.083 502 1HD1 ILE 143 1HD1 ILE 143 175.113 3.177 1.332 503 2HD1 ILE 143 2HD1 ILE 143 174.987 4.747 0.538 504 3HD1 ILE 143 3HD1 ILE 143 175.766 4.616 2.114 505 H GLU 144 H GLU 144 180.179 5.963 2.384 506 HA GLU 144 HA GLU 144 181.077 8.434 1.256 507 1HB GLU 144 2HB GLU 144 181.875 6.830 3.705 508 2HB GLU 144 1HB GLU 144 182.428 8.480 3.413 509 1HG GLU 144 2HG GLU 144 179.504 7.689 3.481 510 2HG GLU 144 1HG GLU 144 180.376 8.317 4.880 511 H ASP 145 H ASP 145 182.596 5.260 1.397 512 HA ASP 145 HA ASP 145 185.203 6.361 0.545 513 1HB ASP 145 2HB ASP 145 184.805 4.418 2.201 514 2HB ASP 145 1HB ASP 145 184.379 3.455 0.785 515 H VAL 146 H VAL 146 182.314 5.347 -0.967 516 HA VAL 146 HA VAL 146 183.700 4.586 -3.494 517 HB VAL 146 HB VAL 146 180.819 4.559 -2.517 518 1HG1 VAL 146 1HG1 VAL 146 180.257 3.436 -4.641 519 2HG1 VAL 146 2HG1 VAL 146 181.916 3.648 -5.199 520 3HG1 VAL 146 3HG1 VAL 146 180.884 5.055 -4.946 521 1HG2 VAL 146 1HG2 VAL 146 182.701 2.826 -1.849 522 2HG2 VAL 146 2HG2 VAL 146 182.385 2.181 -3.460 523 3HG2 VAL 146 3HG2 VAL 146 181.084 2.261 -2.273 524 H LEU 147 H LEU 147 181.451 6.946 -2.115 525 HA LEU 147 HA LEU 147 180.953 8.630 -4.363 526 1HB LEU 147 2HB LEU 147 181.067 8.924 -1.381 527 2HB LEU 147 1HB LEU 147 180.864 10.367 -2.375 528 HG LEU 147 HG LEU 147 179.129 7.910 -2.694 529 1HD1 LEU 147 1HD1 LEU 147 177.420 9.349 -1.448 530 2HD1 LEU 147 2HD1 LEU 147 178.782 10.342 -0.930 531 3HD1 LEU 147 3HD1 LEU 147 178.700 8.643 -0.462 532 1HD2 LEU 147 1HD2 LEU 147 178.247 10.677 -3.349 533 2HD2 LEU 147 2HD2 LEU 147 177.933 9.166 -4.203 534 3HD2 LEU 147 3HD2 LEU 147 179.485 9.980 -4.393 535 H ARG 148 H ARG 148 183.899 8.234 -2.546 536 HA ARG 148 HA ARG 148 185.145 10.756 -2.960 537 1HB ARG 148 2HB ARG 148 186.187 7.912 -2.814 538 2HB ARG 148 1HB ARG 148 187.246 9.323 -2.804 539 1HG ARG 148 2HG ARG 148 186.277 10.146 -0.769 540 2HG ARG 148 1HG ARG 148 184.969 8.965 -0.844 541 1HD ARG 148 2HD ARG 148 186.599 8.160 0.773 542 2HD ARG 148 1HD ARG 148 186.745 7.145 -0.677 543 HE ARG 148 HE ARG 148 188.801 8.258 -1.214 544 1HH1 ARG 148 2HH1 ARG 148 188.354 8.376 1.995 545 2HH1 ARG 148 1HH1 ARG 148 189.172 9.874 2.289 546 1HH2 ARG 148 1HH2 ARG 148 189.356 10.737 -1.064 547 2HH2 ARG 148 2HH2 ARG 148 189.740 11.211 0.556 548 H GLN 149 HN GLN 149 184.963 7.886 -5.072 549 HA GLN 149 HA GLN 149 185.973 9.581 -7.335 550 1HB GLN 149 2HB GLN 149 186.616 6.756 -6.473 551 2HB GLN 149 1HB GLN 149 186.912 7.298 -8.126 552 1HG GLN 149 2HG GLN 149 188.298 9.159 -7.256 553 2HG GLN 149 1HG GLN 149 188.035 8.572 -5.614 554 1HE2 GLN 149 1HE2 GLN 149 190.547 8.686 -7.453 555 2HE2 GLN 149 2HE2 GLN 149 191.180 7.116 -7.349 Start of MODEL 16 1 1H LYS 80 H LYS 80 177.947 16.278 -9.020 2 HA LYS 80 HA LYS 80 176.221 18.382 -8.624 3 1HB LYS 80 2HB LYS 80 175.836 15.794 -10.154 4 2HB LYS 80 1HB LYS 80 174.777 17.191 -10.351 5 1HG LYS 80 2HG LYS 80 176.716 18.579 -10.982 6 2HG LYS 80 1HG LYS 80 177.778 17.184 -10.790 7 1HD LYS 80 2HD LYS 80 176.529 15.985 -12.550 8 2HD LYS 80 1HD LYS 80 175.468 17.382 -12.746 9 1HE LYS 80 2HE LYS 80 177.910 18.580 -13.002 10 2HE LYS 80 1HE LYS 80 178.241 16.985 -13.706 11 1HZ LYS 80 1HZ LYS 80 175.871 18.647 -14.371 12 2HZ LYS 80 2HZ LYS 80 176.329 17.186 -15.108 13 3HZ LYS 80 3HZ LYS 80 177.277 18.581 -15.319 14 H ALA 81 H ALA 81 175.800 15.092 -7.485 15 HA ALA 81 HA ALA 81 173.080 15.639 -6.381 16 1HB ALA 81 1HB ALA 81 174.561 13.070 -6.068 17 2HB ALA 81 2HB ALA 81 174.099 13.541 -7.704 18 3HB ALA 81 3HB ALA 81 172.865 13.346 -6.460 19 H LYS 82 H LYS 82 172.712 15.079 -4.063 20 HA LYS 82 HA LYS 82 175.151 15.617 -2.393 21 1HB LYS 82 2HB LYS 82 173.505 16.561 -0.802 22 2HB LYS 82 1HB LYS 82 173.416 17.354 -2.373 23 1HG LYS 82 2HG LYS 82 171.664 15.006 -2.192 24 2HG LYS 82 1HG LYS 82 171.278 16.245 -0.997 25 1HD LYS 82 2HD LYS 82 171.342 17.937 -2.893 26 2HD LYS 82 1HD LYS 82 171.409 16.569 -4.003 27 1HE LYS 82 2HE LYS 82 169.288 15.695 -3.016 28 2HE LYS 82 1HE LYS 82 169.202 17.144 -1.995 29 1HZ LYS 82 1HZ LYS 82 167.975 17.471 -4.059 30 2HZ LYS 82 2HZ LYS 82 169.371 17.124 -4.964 31 3HZ LYS 82 3HZ LYS 82 169.312 18.513 -3.986 32 H THR 83 H THR 83 175.136 14.675 -0.284 33 HA THR 83 HA THR 83 175.073 11.868 -0.202 34 HB THR 83 HB THR 83 174.462 13.582 2.212 35 HG1 THR 83 HG1 THR 83 176.440 14.407 2.129 36 1HG2 THR 83 1HG2 THR 83 175.407 11.887 3.409 37 2HG2 THR 83 2HG2 THR 83 176.625 11.561 2.177 38 3HG2 THR 83 3HG2 THR 83 174.992 10.923 1.992 39 H GLU 84 H GLU 84 172.463 14.131 0.414 40 HA GLU 84 HA GLU 84 170.529 12.556 1.708 41 1HB GLU 84 2HB GLU 84 170.299 14.621 -0.505 42 2HB GLU 84 1HB GLU 84 168.931 14.072 0.470 43 1HG GLU 84 2HG GLU 84 171.424 15.108 1.804 44 2HG GLU 84 1HG GLU 84 170.197 16.229 1.213 45 H ASP 85 H ASP 85 171.374 12.608 -1.741 46 HA ASP 85 HA ASP 85 169.218 11.026 -2.746 47 1HB ASP 85 2HB ASP 85 170.997 12.369 -3.988 48 2HB ASP 85 1HB ASP 85 172.096 11.019 -3.700 49 H PHE 86 H PHE 86 172.495 10.033 -1.731 50 HA PHE 86 HA PHE 86 171.915 7.178 -1.941 51 1HB PHE 86 2HB PHE 86 174.152 8.973 -1.460 52 2HB PHE 86 1HB PHE 86 174.191 7.608 -0.344 53 HD1 PHE 86 HD1 PHE 86 175.588 5.925 -1.097 54 HD2 PHE 86 HD2 PHE 86 173.155 8.021 -3.941 55 HE1 PHE 86 HE1 PHE 86 176.435 4.451 -2.899 56 HE2 PHE 86 HE2 PHE 86 174.001 6.540 -5.746 57 HZ PHE 86 HZ PHE 86 175.640 4.760 -5.226 58 H VAL 87 H VAL 87 172.125 9.500 0.788 59 HA VAL 87 HA VAL 87 171.946 7.613 2.896 60 HB VAL 87 HB VAL 87 170.887 10.453 2.657 61 1HG1 VAL 87 1HG1 VAL 87 169.957 9.908 4.678 62 2HG1 VAL 87 2HG1 VAL 87 171.602 10.162 5.261 63 3HG1 VAL 87 3HG1 VAL 87 171.032 8.530 4.913 64 1HG2 VAL 87 1HG2 VAL 87 173.021 11.184 3.121 65 2HG2 VAL 87 2HG2 VAL 87 173.441 9.676 2.310 66 3HG2 VAL 87 3HG2 VAL 87 173.416 9.752 4.071 67 H LYS 88 H LYS 88 169.346 9.397 1.205 68 HA LYS 88 HA LYS 88 167.118 8.328 2.617 69 1HB LYS 88 2HB LYS 88 167.147 10.266 1.035 70 2HB LYS 88 1HB LYS 88 167.334 9.132 -0.303 71 1HG LYS 88 2HG LYS 88 165.204 8.014 0.443 72 2HG LYS 88 1HG LYS 88 164.993 9.319 1.610 73 1HD LYS 88 2HD LYS 88 165.269 10.907 -0.418 74 2HD LYS 88 1HD LYS 88 164.963 9.475 -1.401 75 1HE LYS 88 2HE LYS 88 162.759 10.035 -1.127 76 2HE LYS 88 1HE LYS 88 162.947 9.316 0.485 77 1HZ LYS 88 1HZ LYS 88 162.155 11.557 0.731 78 2HZ LYS 88 2HZ LYS 88 163.400 12.159 -0.256 79 3HZ LYS 88 3HZ LYS 88 163.764 11.495 1.265 80 H ALA 89 H ALA 89 169.008 7.021 -0.057 81 HA ALA 89 HA ALA 89 167.244 4.959 -0.923 82 1HB ALA 89 1HB ALA 89 169.013 4.462 -2.275 83 2HB ALA 89 2HB ALA 89 170.151 4.407 -0.929 84 3HB ALA 89 3HB ALA 89 169.682 5.959 -1.625 85 H PHE 90 H PHE 90 170.100 4.534 1.252 86 HA PHE 90 HA PHE 90 169.253 1.852 1.975 87 1HB PHE 90 2HB PHE 90 171.385 3.782 2.903 88 2HB PHE 90 1HB PHE 90 171.218 2.165 3.592 89 HD1 PHE 90 HD1 PHE 90 172.510 4.103 0.843 90 HD2 PHE 90 HD2 PHE 90 171.232 0.163 1.989 91 HE1 PHE 90 HE1 PHE 90 173.733 3.142 -1.088 92 HE2 PHE 90 HE2 PHE 90 172.458 -0.794 0.058 93 HZ PHE 90 HZ PHE 90 173.708 0.693 -1.479 94 H GLN 91 H GLN 91 169.585 4.842 3.942 95 HA GLN 91 HA GLN 91 168.695 3.941 6.388 96 1HB GLN 91 2HB GLN 91 168.315 6.538 4.914 97 2HB GLN 91 1HB GLN 91 167.743 6.352 6.572 98 1HG GLN 91 2HG GLN 91 170.142 5.429 7.036 99 2HG GLN 91 1HG GLN 91 170.563 6.243 5.529 100 1HE2 GLN 91 1HE2 GLN 91 171.900 7.766 6.856 101 2HE2 GLN 91 2HE2 GLN 91 171.143 9.028 7.701 102 H VAL 92 H VAL 92 166.470 4.823 3.688 103 HA VAL 92 HA VAL 92 164.077 4.704 5.226 104 HB VAL 92 HB VAL 92 163.003 4.262 3.001 105 1HG1 VAL 92 1HG1 VAL 92 164.115 6.293 1.856 106 2HG1 VAL 92 2HG1 VAL 92 165.151 6.358 3.283 107 3HG1 VAL 92 3HG1 VAL 92 163.405 6.542 3.451 108 1HG2 VAL 92 1HG2 VAL 92 164.290 2.932 1.658 109 2HG2 VAL 92 2HG2 VAL 92 165.800 3.500 2.365 110 3HG2 VAL 92 3HG2 VAL 92 164.982 4.469 1.141 111 H PHE 93 H PHE 93 166.067 2.169 3.824 112 HA PHE 93 HA PHE 93 164.199 -0.027 4.190 113 1HB PHE 93 2HB PHE 93 166.377 0.211 2.760 114 2HB PHE 93 1HB PHE 93 167.211 -0.233 4.247 115 HD1 PHE 93 HD1 PHE 93 165.846 -1.520 1.318 116 HD2 PHE 93 HD2 PHE 93 166.007 -2.302 5.536 117 HE1 PHE 93 HE1 PHE 93 165.314 -3.906 0.895 118 HE2 PHE 93 HE2 PHE 93 165.476 -4.687 5.116 119 HZ PHE 93 HZ PHE 93 165.129 -5.489 2.795 120 H ASP 94 H ASP 94 166.946 1.250 6.136 121 HA ASP 94 HA ASP 94 166.765 -0.644 8.272 122 1HB ASP 94 2HB ASP 94 167.778 2.193 8.003 123 2HB ASP 94 1HB ASP 94 167.949 1.285 9.505 124 H LYS 95 H LYS 95 164.378 -0.760 8.554 125 HA LYS 95 HA LYS 95 162.766 1.425 9.442 126 1HB LYS 95 2HB LYS 95 161.237 -0.378 10.149 127 2HB LYS 95 1HB LYS 95 161.946 -0.749 8.579 128 1HG LYS 95 2HG LYS 95 163.670 -2.151 9.753 129 2HG LYS 95 1HG LYS 95 162.805 -1.870 11.263 130 1HD LYS 95 2HD LYS 95 160.742 -2.817 10.162 131 2HD LYS 95 1HD LYS 95 161.755 -3.268 8.791 132 1HE LYS 95 2HE LYS 95 162.522 -4.114 11.585 133 2HE LYS 95 1HE LYS 95 161.362 -5.064 10.634 134 1HZ LYS 95 1HZ LYS 95 163.710 -5.726 10.264 135 2HZ LYS 95 2HZ LYS 95 164.015 -4.179 9.630 136 3HZ LYS 95 3HZ LYS 95 162.924 -5.221 8.850 137 H GLU 96 H GLU 96 164.723 -0.940 11.303 138 HA GLU 96 HA GLU 96 163.930 0.330 13.854 139 1HB GLU 96 2HB GLU 96 165.506 -2.072 12.950 140 2HB GLU 96 1HB GLU 96 165.613 -1.526 14.623 141 1HG GLU 96 2HG GLU 96 162.958 -2.002 13.260 142 2HG GLU 96 1HG GLU 96 163.816 -3.284 14.116 143 H SER 97 H SER 97 165.834 1.556 11.631 144 HA SER 97 HA SER 97 167.867 2.680 11.515 145 1HB SER 97 2HB SER 97 166.680 3.414 14.198 146 2HB SER 97 1HB SER 97 167.898 4.369 13.359 147 HG SER 97 HG SER 97 166.281 5.207 12.325 148 H THR 98 H THR 98 168.400 -0.027 12.614 149 HA THR 98 HA THR 98 170.084 0.105 14.943 150 HB THR 98 HB THR 98 170.901 -2.084 14.065 151 HG1 THR 98 HG1 THR 98 169.951 -2.731 12.033 152 1HG2 THR 98 1HG2 THR 98 168.690 -3.192 13.937 153 2HG2 THR 98 2HG2 THR 98 167.925 -1.618 13.721 154 3HG2 THR 98 3HG2 THR 98 168.746 -1.999 15.235 155 H GLY 99 H GLY 99 170.696 0.633 11.505 156 1HA GLY 99 2HA GLY 99 172.430 2.139 10.726 157 2HA GLY 99 1HA GLY 99 173.309 1.852 12.223 158 H LYS 100 H LYS 100 172.131 -1.082 10.928 159 HA LYS 100 HA LYS 100 174.720 -1.571 9.504 160 1HB LYS 100 2HB LYS 100 173.291 -3.202 11.618 161 2HB LYS 100 1HB LYS 100 174.620 -3.836 10.646 162 1HG LYS 100 2HG LYS 100 175.941 -1.762 11.420 163 2HG LYS 100 1HG LYS 100 174.678 -1.567 12.637 164 1HD LYS 100 2HD LYS 100 175.099 -3.905 13.397 165 2HD LYS 100 1HD LYS 100 176.429 -4.010 12.244 166 1HE LYS 100 2HE LYS 100 177.722 -3.227 13.956 167 2HE LYS 100 1HE LYS 100 176.986 -1.651 13.604 168 1HZ LYS 100 1HZ LYS 100 175.912 -3.712 15.458 169 2HZ LYS 100 2HZ LYS 100 175.137 -2.250 15.071 170 3HZ LYS 100 3HZ LYS 100 176.614 -2.235 15.911 171 H VAL 101 H VAL 101 174.555 -3.270 7.844 172 HA VAL 101 HA VAL 101 171.879 -4.395 7.293 173 HB VAL 101 HB VAL 101 171.937 -3.470 4.956 174 1HG1 VAL 101 1HG1 VAL 101 170.810 -2.302 6.936 175 2HG1 VAL 101 2HG1 VAL 101 171.183 -1.285 5.545 176 3HG1 VAL 101 3HG1 VAL 101 172.213 -1.235 6.976 177 1HG2 VAL 101 1HG2 VAL 101 173.559 -1.771 4.365 178 2HG2 VAL 101 2HG2 VAL 101 174.444 -3.185 4.933 179 3HG2 VAL 101 3HG2 VAL 101 174.242 -1.789 5.991 180 H SER 102 H SER 102 171.988 -6.096 5.606 181 HA SER 102 HA SER 102 174.502 -7.623 5.744 182 1HB SER 102 2HB SER 102 173.031 -9.204 4.366 183 2HB SER 102 1HB SER 102 172.440 -8.802 5.975 184 HG SER 102 HG SER 102 171.322 -8.333 3.571 185 H VAL 103 H VAL 103 175.864 -8.049 3.967 186 HA VAL 103 HA VAL 103 176.213 -6.097 1.947 187 HB VAL 103 HB VAL 103 177.906 -7.714 2.731 188 1HG1 VAL 103 1HG1 VAL 103 176.129 -9.616 2.767 189 2HG1 VAL 103 2HG1 VAL 103 177.785 -10.027 2.321 190 3HG1 VAL 103 3HG1 VAL 103 176.557 -9.835 1.070 191 1HG2 VAL 103 1HG2 VAL 103 179.015 -7.757 0.722 192 2HG2 VAL 103 2HG2 VAL 103 177.662 -6.742 0.219 193 3HG2 VAL 103 3HG2 VAL 103 177.647 -8.469 -0.134 194 H GLY 104 H GLY 104 174.416 -9.197 1.808 195 1HA GLY 104 2HA GLY 104 173.869 -9.194 -0.973 196 2HA GLY 104 1HA GLY 104 172.863 -9.976 0.245 197 H ASP 105 H ASP 105 172.121 -7.662 1.721 198 HA ASP 105 HA ASP 105 170.000 -6.618 -0.015 199 1HB ASP 105 2HB ASP 105 169.797 -7.294 2.417 200 2HB ASP 105 1HB ASP 105 170.768 -5.879 2.826 201 H LEU 106 H LEU 106 172.839 -5.291 1.685 202 HA LEU 106 HA LEU 106 172.487 -2.549 1.005 203 1HB LEU 106 2HB LEU 106 174.074 -3.460 2.675 204 2HB LEU 106 1HB LEU 106 175.023 -4.181 1.375 205 HG LEU 106 HG LEU 106 174.433 -1.248 1.244 206 1HD1 LEU 106 1HD1 LEU 106 176.188 -2.623 3.241 207 2HD1 LEU 106 2HD1 LEU 106 175.254 -1.136 3.407 208 3HD1 LEU 106 3HD1 LEU 106 176.773 -1.128 2.510 209 1HD2 LEU 106 1HD2 LEU 106 176.423 -3.214 0.209 210 2HD2 LEU 106 2HD2 LEU 106 177.002 -1.575 0.510 211 3HD2 LEU 106 3HD2 LEU 106 175.665 -1.846 -0.608 212 H ARG 107 H ARG 107 174.429 -5.070 -0.668 213 HA ARG 107 HA ARG 107 175.233 -3.410 -2.860 214 1HB ARG 107 2HB ARG 107 176.202 -5.631 -2.111 215 2HB ARG 107 1HB ARG 107 174.794 -6.415 -2.827 216 1HG ARG 107 2HG ARG 107 175.537 -4.889 -4.920 217 2HG ARG 107 1HG ARG 107 177.114 -5.104 -4.159 218 1HD ARG 107 2HD ARG 107 175.224 -7.382 -4.857 219 2HD ARG 107 1HD ARG 107 176.642 -6.911 -5.813 220 HE ARG 107 HE ARG 107 177.398 -7.258 -3.057 221 1HH1 ARG 107 1HH2 ARG 107 175.659 -9.689 -3.862 222 2HH1 ARG 107 2HH2 ARG 107 176.892 -10.804 -4.347 223 1HH2 ARG 107 2HH1 ARG 107 179.365 -8.383 -4.565 224 2HH2 ARG 107 1HH1 ARG 107 178.991 -10.063 -4.746 225 H TYR 108 H TYR 108 172.309 -5.318 -2.298 226 HA TYR 108 HA TYR 108 171.347 -5.253 -5.013 227 1HB TYR 108 2HB TYR 108 170.543 -6.774 -3.201 228 2HB TYR 108 1HB TYR 108 169.835 -5.385 -2.376 229 HD1 TYR 108 HD1 TYR 108 169.585 -7.632 -5.282 230 HD2 TYR 108 HD2 TYR 108 167.863 -4.249 -3.272 231 HE1 TYR 108 HE1 TYR 108 167.544 -7.841 -6.676 232 HE2 TYR 108 HE2 TYR 108 165.823 -4.459 -4.666 233 HH TYR 108 HH TYR 108 165.690 -6.497 -7.432 234 H MET 109 H MET 109 170.640 -3.127 -2.207 235 HA MET 109 HA MET 109 168.882 -1.397 -3.617 236 1HB MET 109 2HB MET 109 170.551 -1.302 -1.143 237 2HB MET 109 1HB MET 109 169.862 0.218 -1.715 238 1HG MET 109 2HG MET 109 167.811 -1.768 -1.888 239 2HG MET 109 1HG MET 109 168.562 -1.921 -0.302 240 1HE MET 109 1HE MET 109 167.552 0.435 -2.969 241 2HE MET 109 2HE MET 109 168.468 1.719 -2.186 242 3HE MET 109 3HE MET 109 166.707 1.790 -2.209 243 H LEU 110 H LEU 110 172.426 -1.287 -3.159 244 HA LEU 110 HA LEU 110 172.952 1.246 -4.346 245 1HB LEU 110 2HB LEU 110 174.442 -0.625 -3.190 246 2HB LEU 110 1HB LEU 110 174.689 -1.162 -4.852 247 HG LEU 110 HG LEU 110 175.358 1.219 -5.411 248 1HD1 LEU 110 1HD1 LEU 110 174.284 1.848 -2.994 249 2HD1 LEU 110 2HD1 LEU 110 175.485 2.845 -3.812 250 3HD1 LEU 110 3HD1 LEU 110 175.988 1.711 -2.555 251 1HD2 LEU 110 1HD2 LEU 110 177.604 0.871 -4.739 252 2HD2 LEU 110 2HD2 LEU 110 176.923 -0.753 -4.830 253 3HD2 LEU 110 3HD2 LEU 110 177.119 0.035 -3.264 254 H THR 111 H THR 111 172.620 -1.977 -5.782 255 HA THR 111 HA THR 111 173.031 -1.274 -8.539 256 HB THR 111 HB THR 111 171.237 -3.406 -7.327 257 HG1 THR 111 HG1 THR 111 173.001 -4.386 -6.778 258 1HG2 THR 111 1HG2 THR 111 171.194 -2.874 -9.865 259 2HG2 THR 111 2HG2 THR 111 171.427 -4.552 -9.375 260 3HG2 THR 111 3HG2 THR 111 172.809 -3.584 -9.891 261 H GLY 112 H GLY 112 170.257 -1.044 -6.412 262 1HA GLY 112 2HA GLY 112 168.401 -0.274 -8.569 263 2HA GLY 112 1HA GLY 112 168.007 -0.412 -6.855 264 H LEU 113 H LEU 113 170.685 1.244 -6.534 265 HA LEU 113 HA LEU 113 169.324 3.856 -6.409 266 1HB LEU 113 2HB LEU 113 170.513 2.698 -4.520 267 2HB LEU 113 1HB LEU 113 172.015 2.874 -5.421 268 HG LEU 113 HG LEU 113 171.809 5.314 -5.343 269 1HD1 LEU 113 1HD1 LEU 113 169.912 6.049 -3.603 270 2HD1 LEU 113 2HD1 LEU 113 169.111 4.622 -4.264 271 3HD1 LEU 113 3HD1 LEU 113 169.585 5.942 -5.333 272 1HD2 LEU 113 1HD2 LEU 113 173.002 4.730 -3.471 273 2HD2 LEU 113 2HD2 LEU 113 171.747 3.639 -2.886 274 3HD2 LEU 113 3HD2 LEU 113 171.581 5.378 -2.656 275 H GLY 114 H GLY 114 170.979 2.392 -8.876 276 1HA GLY 114 2HA GLY 114 171.707 3.688 -10.812 277 2HA GLY 114 1HA GLY 114 172.233 4.965 -9.714 278 H GLU 115 H GLU 115 172.821 1.567 -9.226 279 HA GLU 115 HA GLU 115 175.774 2.048 -9.567 280 1HB GLU 115 2HB GLU 115 174.767 1.540 -7.263 281 2HB GLU 115 1HB GLU 115 174.492 -0.092 -7.875 282 1HG GLU 115 2HG GLU 115 176.628 -0.114 -6.767 283 2HG GLU 115 1HG GLU 115 176.946 -0.163 -8.500 284 H LYS 116 H LYS 116 176.582 1.001 -11.345 285 HA LYS 116 HA LYS 116 175.365 -1.622 -12.059 286 1HB LYS 116 2HB LYS 116 176.249 0.702 -13.799 287 2HB LYS 116 1HB LYS 116 176.080 -0.923 -14.466 288 1HG LYS 116 2HG LYS 116 173.717 -0.888 -13.395 289 2HG LYS 116 1HG LYS 116 173.947 0.859 -13.303 290 1HD LYS 116 2HD LYS 116 174.410 -0.642 -15.878 291 2HD LYS 116 1HD LYS 116 172.801 -0.083 -15.423 292 1HE LYS 116 2HE LYS 116 173.452 1.842 -16.491 293 2HE LYS 116 1HE LYS 116 174.298 2.175 -14.968 294 1HZ LYS 116 1HZ LYS 116 175.830 2.273 -16.841 295 2HZ LYS 116 2HZ LYS 116 175.419 0.686 -17.283 296 3HZ LYS 116 3HZ LYS 116 176.223 0.979 -15.816 297 H LEU 117 H LEU 117 177.181 -1.918 -10.351 298 HA LEU 117 HA LEU 117 179.888 -2.152 -11.543 299 1HB LEU 117 2HB LEU 117 178.739 -2.738 -8.788 300 2HB LEU 117 1HB LEU 117 180.452 -2.761 -9.207 301 HG LEU 117 HG LEU 117 178.663 -0.333 -9.505 302 1HD1 LEU 117 1HD1 LEU 117 180.526 -1.235 -7.306 303 2HD1 LEU 117 2HD1 LEU 117 178.865 -0.657 -7.168 304 3HD1 LEU 117 3HD1 LEU 117 180.162 0.472 -7.558 305 1HD2 LEU 117 1HD2 LEU 117 181.593 -0.906 -9.936 306 2HD2 LEU 117 2HD2 LEU 117 181.045 0.727 -9.558 307 3HD2 LEU 117 3HD2 LEU 117 180.460 -0.084 -11.010 308 H THR 118 H THR 118 180.880 -4.257 -11.753 309 HA THR 118 HA THR 118 178.922 -6.526 -11.807 310 HB THR 118 HB THR 118 181.548 -6.316 -13.271 311 HG1 THR 118 HG1 THR 118 180.387 -4.557 -13.934 312 1HG2 THR 118 1HG2 THR 118 178.990 -7.849 -13.795 313 2HG2 THR 118 2HG2 THR 118 180.487 -8.530 -13.159 314 3HG2 THR 118 3HG2 THR 118 180.434 -7.899 -14.806 315 H ASP 119 H ASP 119 179.534 -8.472 -10.677 316 HA ASP 119 HA ASP 119 180.966 -8.514 -8.377 317 1HB ASP 119 2HB ASP 119 179.625 -10.333 -9.480 318 2HB ASP 119 1HB ASP 119 181.055 -10.732 -10.434 319 H ALA 120 H ALA 120 182.478 -8.551 -11.572 320 HA ALA 120 HA ALA 120 185.129 -9.413 -10.833 321 1HB ALA 120 1HB ALA 120 185.592 -8.818 -13.014 322 2HB ALA 120 2HB ALA 120 184.690 -7.308 -12.901 323 3HB ALA 120 3HB ALA 120 183.832 -8.832 -13.123 324 H GLU 121 H GLU 121 183.749 -6.115 -11.216 325 HA GLU 121 HA GLU 121 186.091 -4.813 -10.072 326 1HB GLU 121 2HB GLU 121 183.302 -4.007 -10.904 327 2HB GLU 121 1HB GLU 121 184.406 -2.850 -10.163 328 1HG GLU 121 2HG GLU 121 186.077 -3.308 -11.919 329 2HG GLU 121 1HG GLU 121 184.978 -4.472 -12.661 330 H VAL 122 H VAL 122 182.757 -5.433 -8.911 331 HA VAL 122 HA VAL 122 182.964 -4.191 -6.341 332 HB VAL 122 HB VAL 122 181.412 -6.667 -7.177 333 1HG1 VAL 122 1HG1 VAL 122 181.287 -6.414 -4.796 334 2HG1 VAL 122 2HG1 VAL 122 179.793 -5.723 -5.433 335 3HG1 VAL 122 3HG1 VAL 122 181.108 -4.663 -4.923 336 1HG2 VAL 122 1HG2 VAL 122 180.907 -3.708 -7.523 337 2HG2 VAL 122 2HG2 VAL 122 179.580 -4.869 -7.497 338 3HG2 VAL 122 3HG2 VAL 122 180.824 -4.980 -8.741 339 H ASP 123 H ASP 123 184.037 -7.403 -7.426 340 HA ASP 123 HA ASP 123 184.544 -8.452 -4.796 341 1HB ASP 123 2HB ASP 123 184.407 -9.814 -6.866 342 2HB ASP 123 1HB ASP 123 185.863 -9.030 -7.480 343 H GLU 124 H GLU 124 186.461 -6.499 -7.042 344 HA GLU 124 HA GLU 124 188.972 -6.554 -5.646 345 1HB GLU 124 2HB GLU 124 187.636 -4.435 -7.361 346 2HB GLU 124 1HB GLU 124 189.351 -4.465 -6.950 347 1HG GLU 124 2HG GLU 124 189.112 -6.967 -7.901 348 2HG GLU 124 1HG GLU 124 187.822 -6.200 -8.825 349 H LEU 125 H LEU 125 186.242 -4.242 -5.495 350 HA LEU 125 HA LEU 125 187.320 -2.505 -3.500 351 1HB LEU 125 2HB LEU 125 184.638 -3.224 -4.615 352 2HB LEU 125 1HB LEU 125 184.703 -2.198 -3.184 353 HG LEU 125 HG LEU 125 186.181 -0.619 -4.369 354 1HD1 LEU 125 1HD1 LEU 125 185.846 -2.590 -6.650 355 2HD1 LEU 125 2HD1 LEU 125 187.354 -2.100 -5.879 356 3HD1 LEU 125 3HD1 LEU 125 186.453 -0.949 -6.865 357 1HD2 LEU 125 1HD2 LEU 125 183.685 -1.370 -5.918 358 2HD2 LEU 125 2HD2 LEU 125 184.517 0.182 -6.024 359 3HD2 LEU 125 3HD2 LEU 125 183.747 -0.305 -4.514 360 H LEU 126 H LEU 126 185.639 -5.587 -3.277 361 HA LEU 126 HA LEU 126 184.997 -5.390 -0.439 362 1HB LEU 126 2HB LEU 126 184.929 -7.516 -2.572 363 2HB LEU 126 1HB LEU 126 184.520 -7.892 -0.897 364 HG LEU 126 HG LEU 126 183.237 -5.600 -2.397 365 1HD1 LEU 126 1HD1 LEU 126 182.770 -7.702 -3.604 366 2HD1 LEU 126 2HD1 LEU 126 181.322 -7.111 -2.788 367 3HD1 LEU 126 3HD1 LEU 126 182.239 -8.450 -2.099 368 1HD2 LEU 126 1HD2 LEU 126 181.905 -7.125 -0.214 369 2HD2 LEU 126 2HD2 LEU 126 181.884 -5.393 -0.551 370 3HD2 LEU 126 3HD2 LEU 126 183.274 -6.118 0.256 371 H LYS 127 H LYS 127 187.841 -6.341 -2.205 372 HA LYS 127 HA LYS 127 188.919 -8.371 -0.612 373 1HB LYS 127 2HB LYS 127 191.032 -7.726 -1.604 374 2HB LYS 127 1HB LYS 127 189.756 -7.462 -2.788 375 1HG LYS 127 2HG LYS 127 190.740 -5.412 -3.005 376 2HG LYS 127 1HG LYS 127 189.794 -5.028 -1.567 377 1HD LYS 127 2HD LYS 127 191.624 -5.065 -0.185 378 2HD LYS 127 1HD LYS 127 192.421 -6.342 -1.105 379 1HE LYS 127 2HE LYS 127 192.898 -4.671 -2.920 380 2HE LYS 127 1HE LYS 127 192.240 -3.405 -1.864 381 1HZ LYS 127 1HZ LYS 127 194.430 -5.276 -1.127 382 2HZ LYS 127 2HZ LYS 127 193.813 -4.024 -0.159 383 3HZ LYS 127 3HZ LYS 127 194.653 -3.661 -1.590 384 H GLY 128 H GLY 128 188.480 -5.014 0.231 385 1HA GLY 128 2HA GLY 128 190.272 -5.349 2.598 386 2HA GLY 128 1HA GLY 128 189.924 -3.792 1.849 387 H VAL 129 H VAL 129 186.985 -5.087 1.642 388 HA VAL 129 HA VAL 129 185.956 -3.673 3.959 389 HB VAL 129 HB VAL 129 184.680 -5.668 2.047 390 1HG1 VAL 129 1HG1 VAL 129 182.556 -4.703 2.738 391 2HG1 VAL 129 2HG1 VAL 129 183.382 -3.542 3.777 392 3HG1 VAL 129 3HG1 VAL 129 183.415 -5.259 4.176 393 1HG2 VAL 129 1HG2 VAL 129 184.562 -2.644 1.968 394 2HG2 VAL 129 2HG2 VAL 129 184.041 -3.777 0.722 395 3HG2 VAL 129 3HG2 VAL 129 185.759 -3.571 1.064 396 H GLU 130 H GLU 130 185.664 -4.369 5.937 397 HA GLU 130 HA GLU 130 186.151 -7.253 6.608 398 1HB GLU 130 2HB GLU 130 187.609 -5.450 7.519 399 2HB GLU 130 1HB GLU 130 186.193 -4.731 8.287 400 1HG GLU 130 2HG GLU 130 185.827 -6.810 9.567 401 2HG GLU 130 1HG GLU 130 187.244 -7.530 8.801 402 H VAL 131 H VAL 131 184.187 -8.278 6.602 403 HA VAL 131 HA VAL 131 181.786 -7.012 7.826 404 HB VAL 131 HB VAL 131 180.663 -9.016 6.979 405 1HG1 VAL 131 1HG1 VAL 131 182.534 -8.483 4.730 406 2HG1 VAL 131 2HG1 VAL 131 181.711 -7.087 5.424 407 3HG1 VAL 131 3HG1 VAL 131 180.772 -8.427 4.768 408 1HG2 VAL 131 1HG2 VAL 131 181.853 -10.857 5.951 409 2HG2 VAL 131 2HG2 VAL 131 182.542 -10.600 7.553 410 3HG2 VAL 131 3HG2 VAL 131 183.396 -10.021 6.121 411 H ASP 132 H ASP 132 180.644 -8.206 9.587 412 HA ASP 132 HA ASP 132 182.602 -9.215 11.561 413 1HB ASP 132 2HB ASP 132 180.697 -8.882 13.103 414 2HB ASP 132 1HB ASP 132 181.010 -7.443 12.144 415 H SER 133 H SER 133 181.253 -10.860 13.108 416 HA SER 133 HA SER 133 181.166 -13.376 11.660 417 1HB SER 133 2HB SER 133 181.376 -12.424 14.326 418 2HB SER 133 1HB SER 133 179.986 -13.502 14.291 419 HG SER 133 HG SER 133 181.260 -15.133 13.611 420 H ASN 134 H ASN 134 178.812 -10.973 11.807 421 HA ASN 134 HA ASN 134 176.560 -12.938 11.714 422 1HB ASN 134 2HB ASN 134 176.703 -10.930 13.359 423 2HB ASN 134 1HB ASN 134 176.378 -9.932 11.941 424 1HD2 ASN 134 1HD2 ASN 134 174.540 -10.261 14.206 425 2HD2 ASN 134 2HD2 ASN 134 173.133 -10.990 13.598 426 H GLY 135 H GLY 135 178.548 -10.958 9.732 427 1HA GLY 135 2HA GLY 135 178.454 -10.857 7.354 428 2HA GLY 135 1HA GLY 135 176.824 -11.528 7.413 429 H GLU 136 H GLU 136 177.744 -8.811 9.413 430 HA GLU 136 HA GLU 136 175.859 -7.079 7.852 431 1HB GLU 136 2HB GLU 136 176.774 -7.161 10.738 432 2HB GLU 136 1HB GLU 136 175.780 -5.859 10.081 433 1HG GLU 136 2HG GLU 136 174.063 -7.502 9.416 434 2HG GLU 136 1HG GLU 136 175.054 -8.804 10.076 435 H ILE 137 H ILE 137 176.552 -5.174 7.040 436 HA ILE 137 HA ILE 137 179.322 -4.235 7.707 437 HB ILE 137 HB ILE 137 177.928 -4.417 5.015 438 1HG1 ILE 137 2HG1 ILE 137 180.130 -5.837 4.656 439 2HG1 ILE 137 1HG1 ILE 137 180.071 -5.990 6.411 440 1HG2 ILE 137 1HG2 ILE 137 179.258 -2.468 4.871 441 2HG2 ILE 137 2HG2 ILE 137 180.304 -3.735 4.231 442 3HG2 ILE 137 3HG2 ILE 137 180.529 -3.157 5.882 443 1HD1 ILE 137 1HD1 ILE 137 178.392 -7.489 6.302 444 2HD1 ILE 137 2HD1 ILE 137 178.664 -7.548 4.562 445 3HD1 ILE 137 3HD1 ILE 137 177.451 -6.454 5.225 446 H ASP 138 H ASP 138 179.483 -2.033 8.006 447 HA ASP 138 HA ASP 138 177.097 -0.493 8.492 448 1HB ASP 138 2HB ASP 138 179.366 -0.277 9.586 449 2HB ASP 138 1HB ASP 138 179.947 0.474 8.100 450 H TYR 139 H TYR 139 175.824 0.092 6.715 451 HA TYR 139 HA TYR 139 176.708 0.386 4.032 452 1HB TYR 139 2HB TYR 139 174.497 1.322 3.676 453 2HB TYR 139 1HB TYR 139 174.393 -0.005 4.826 454 HD1 TYR 139 HD1 TYR 139 174.184 3.640 4.378 455 HD2 TYR 139 HD2 TYR 139 173.909 0.404 7.187 456 HE1 TYR 139 HE1 TYR 139 173.105 5.156 6.017 457 HE2 TYR 139 HE2 TYR 139 172.835 1.919 8.825 458 HH TYR 139 HH TYR 139 171.348 4.385 8.350 459 H LYS 140 H LYS 140 176.646 2.764 6.671 460 HA LYS 140 HA LYS 140 176.881 5.089 5.017 461 1HB LYS 140 2HB LYS 140 177.539 4.419 7.890 462 2HB LYS 140 1HB LYS 140 177.804 6.039 7.247 463 1HG LYS 140 2HG LYS 140 175.306 5.733 6.389 464 2HG LYS 140 1HG LYS 140 175.237 4.588 7.731 465 1HD LYS 140 2HD LYS 140 176.014 6.322 9.283 466 2HD LYS 140 1HD LYS 140 176.143 7.473 7.953 467 1HE LYS 140 2HE LYS 140 173.671 7.135 7.525 468 2HE LYS 140 1HE LYS 140 173.609 6.199 9.032 469 1HZ LYS 140 1HZ LYS 140 174.524 9.007 8.711 470 2HZ LYS 140 2HZ LYS 140 174.705 8.107 10.141 471 3HZ LYS 140 3HZ LYS 140 173.153 8.475 9.556 472 H LYS 141 H LYS 141 179.253 2.988 6.602 473 HA LYS 141 HA LYS 141 181.605 4.519 6.000 474 1HB LYS 141 2HB LYS 141 181.076 1.600 6.605 475 2HB LYS 141 1HB LYS 141 182.703 2.272 6.477 476 1HG LYS 141 2HG LYS 141 182.128 3.931 8.239 477 2HG LYS 141 1HG LYS 141 180.543 3.174 8.405 478 1HD LYS 141 2HD LYS 141 181.622 1.039 9.014 479 2HD LYS 141 1HD LYS 141 183.208 1.796 8.852 480 1HE LYS 141 2HE LYS 141 182.735 3.325 10.682 481 2HE LYS 141 1HE LYS 141 181.059 2.749 10.779 482 1HZ LYS 141 1HZ LYS 141 181.977 0.482 11.122 483 2HZ LYS 141 2HZ LYS 141 182.333 1.555 12.390 484 3HZ LYS 141 3HZ LYS 141 183.526 1.160 11.246 485 H PHE 142 H PHE 142 180.091 1.762 4.283 486 HA PHE 142 HA PHE 142 182.131 1.628 2.269 487 1HB PHE 142 2HB PHE 142 180.409 -0.141 3.016 488 2HB PHE 142 1HB PHE 142 179.252 0.714 1.998 489 HD1 PHE 142 HD1 PHE 142 178.929 -0.295 -0.077 490 HD2 PHE 142 HD2 PHE 142 182.852 -0.303 1.679 491 HE1 PHE 142 HE1 PHE 142 179.823 -1.499 -2.063 492 HE2 PHE 142 HE2 PHE 142 183.741 -1.497 -0.302 493 HZ PHE 142 HZ PHE 142 182.228 -2.096 -2.170 494 H ILE 143 H ILE 143 179.213 3.535 2.622 495 HA ILE 143 HA ILE 143 179.109 4.406 -0.188 496 HB ILE 143 HB ILE 143 177.757 5.129 2.430 497 1HG1 ILE 143 2HG1 ILE 143 177.175 2.949 1.412 498 2HG1 ILE 143 1HG1 ILE 143 175.804 4.055 1.402 499 1HG2 ILE 143 1HG2 ILE 143 177.472 6.387 -0.290 500 2HG2 ILE 143 2HG2 ILE 143 177.605 7.172 1.283 501 3HG2 ILE 143 3HG2 ILE 143 176.111 6.350 0.832 502 1HD1 ILE 143 1HD1 ILE 143 177.175 2.806 -0.838 503 2HD1 ILE 143 2HD1 ILE 143 177.143 4.560 -1.013 504 3HD1 ILE 143 3HD1 ILE 143 175.635 3.666 -0.812 505 H GLU 144 H GLU 144 179.951 5.936 2.943 506 HA GLU 144 HA GLU 144 180.803 8.438 1.873 507 1HB GLU 144 2HB GLU 144 181.537 6.852 4.347 508 2HB GLU 144 1HB GLU 144 182.056 8.517 4.088 509 1HG GLU 144 2HG GLU 144 179.701 9.224 3.879 510 2HG GLU 144 1HG GLU 144 179.178 7.560 4.143 511 H ASP 145 H ASP 145 182.492 5.335 2.126 512 HA ASP 145 HA ASP 145 185.067 6.590 1.406 513 1HB ASP 145 2HB ASP 145 184.686 4.642 3.065 514 2HB ASP 145 1HB ASP 145 184.435 3.636 1.637 515 H VAL 146 H VAL 146 182.378 5.303 -0.284 516 HA VAL 146 HA VAL 146 184.024 4.692 -2.696 517 HB VAL 146 HB VAL 146 181.119 4.308 -1.889 518 1HG1 VAL 146 1HG1 VAL 146 181.207 2.960 -4.195 519 2HG1 VAL 146 2HG1 VAL 146 182.395 4.200 -4.596 520 3HG1 VAL 146 3HG1 VAL 146 180.752 4.663 -4.151 521 1HG2 VAL 146 1HG2 VAL 146 183.218 2.781 -1.275 522 2HG2 VAL 146 2HG2 VAL 146 182.933 2.158 -2.901 523 3HG2 VAL 146 3HG2 VAL 146 181.658 2.069 -1.686 524 H LEU 147 H LEU 147 181.551 6.849 -1.423 525 HA LEU 147 HA LEU 147 180.996 8.487 -3.711 526 1HB LEU 147 2HB LEU 147 180.837 8.655 -0.741 527 2HB LEU 147 1HB LEU 147 180.746 10.176 -1.629 528 HG LEU 147 HG LEU 147 179.085 7.853 -2.550 529 1HD1 LEU 147 1HD1 LEU 147 178.798 8.193 -0.030 530 2HD1 LEU 147 2HD1 LEU 147 177.335 8.350 -1.002 531 3HD1 LEU 147 3HD1 LEU 147 178.163 9.793 -0.418 532 1HD2 LEU 147 1HD2 LEU 147 177.555 10.004 -2.867 533 2HD2 LEU 147 2HD2 LEU 147 178.843 9.640 -4.014 534 3HD2 LEU 147 3HD2 LEU 147 179.102 10.844 -2.752 535 H ARG 148 H ARG 148 183.879 8.311 -1.770 536 HA ARG 148 HA ARG 148 184.905 10.947 -2.096 537 1HB ARG 148 2HB ARG 148 186.151 8.201 -1.862 538 2HB ARG 148 1HB ARG 148 187.130 9.667 -1.904 539 1HG ARG 148 2HG ARG 148 185.857 10.550 0.035 540 2HG ARG 148 1HG ARG 148 184.938 9.047 0.096 541 1HD ARG 148 2HD ARG 148 187.123 7.806 0.380 542 2HD ARG 148 1HD ARG 148 187.921 9.383 0.548 543 HE ARG 148 HE ARG 148 185.907 8.267 2.434 544 1HH1 ARG 148 1HH2 ARG 148 185.860 11.313 1.880 545 2HH1 ARG 148 2HH2 ARG 148 186.818 11.882 3.207 546 1HH2 ARG 148 2HH1 ARG 148 188.100 8.753 3.971 547 2HH2 ARG 148 1HH1 ARG 148 188.085 10.433 4.391 548 H GLN 149 HN GLN 149 185.967 11.946 -3.815 549 HA GLN 149 HA GLN 149 185.741 10.700 -6.476 550 1HB GLN 149 2HB GLN 149 186.648 13.389 -5.408 551 2HB GLN 149 1HB GLN 149 186.609 12.999 -7.128 552 1HG GLN 149 2HG GLN 149 184.197 12.504 -6.967 553 2HG GLN 149 1HG GLN 149 184.232 12.896 -5.248 554 1HE2 GLN 149 1HE2 GLN 149 183.664 14.232 -8.314 555 2HE2 GLN 149 2HE2 GLN 149 183.813 15.872 -7.901 Start of MODEL 17 1 1H LYS 80 H LYS 80 175.504 14.812 -10.157 2 HA LYS 80 HA LYS 80 177.305 16.058 -8.272 3 1HB LYS 80 2HB LYS 80 176.826 17.825 -10.086 4 2HB LYS 80 1HB LYS 80 175.189 17.880 -9.433 5 1HG LYS 80 2HG LYS 80 176.202 18.325 -7.162 6 2HG LYS 80 1HG LYS 80 177.765 18.491 -7.963 7 1HD LYS 80 2HD LYS 80 176.560 20.207 -9.493 8 2HD LYS 80 1HD LYS 80 175.321 20.232 -8.237 9 1HE LYS 80 2HE LYS 80 177.489 20.523 -6.666 10 2HE LYS 80 1HE LYS 80 178.117 21.266 -8.151 11 1HZ LYS 80 1HZ LYS 80 175.606 21.945 -6.720 12 2HZ LYS 80 2HZ LYS 80 175.971 22.504 -8.283 13 3HZ LYS 80 3HZ LYS 80 176.951 22.949 -6.968 14 H ALA 81 H ALA 81 176.258 14.317 -7.090 15 HA ALA 81 HA ALA 81 173.417 14.829 -6.244 16 1HB ALA 81 1HB ALA 81 175.195 12.382 -6.380 17 2HB ALA 81 2HB ALA 81 173.744 12.707 -7.329 18 3HB ALA 81 3HB ALA 81 173.613 12.384 -5.600 19 H LYS 82 H LYS 82 172.980 14.424 -3.912 20 HA LYS 82 HA LYS 82 175.376 15.031 -2.202 21 1HB LYS 82 2HB LYS 82 173.644 16.068 -0.703 22 2HB LYS 82 1HB LYS 82 173.750 16.835 -2.285 23 1HG LYS 82 2HG LYS 82 171.767 15.758 -3.053 24 2HG LYS 82 1HG LYS 82 171.764 14.636 -1.693 25 1HD LYS 82 2HD LYS 82 171.266 16.432 -0.139 26 2HD LYS 82 1HD LYS 82 171.455 17.638 -1.411 27 1HE LYS 82 2HE LYS 82 169.428 15.417 -1.700 28 2HE LYS 82 1HE LYS 82 169.032 16.909 -0.823 29 1HZ LYS 82 1HZ LYS 82 168.512 17.277 -3.102 30 2HZ LYS 82 2HZ LYS 82 170.012 16.669 -3.616 31 3HZ LYS 82 3HZ LYS 82 169.933 18.143 -2.775 32 H THR 83 H THR 83 175.280 14.208 -0.036 33 HA THR 83 HA THR 83 175.087 11.413 0.167 34 HB THR 83 HB THR 83 174.555 13.271 2.497 35 HG1 THR 83 HG1 THR 83 176.710 13.784 2.478 36 1HG2 THR 83 1HG2 THR 83 175.418 11.595 3.791 37 2HG2 THR 83 2HG2 THR 83 176.576 11.099 2.558 38 3HG2 THR 83 3HG2 THR 83 174.892 10.590 2.442 39 H GLU 84 H GLU 84 172.591 13.828 0.674 40 HA GLU 84 HA GLU 84 170.570 12.396 2.007 41 1HB GLU 84 2HB GLU 84 170.483 14.417 -0.254 42 2HB GLU 84 1HB GLU 84 169.061 13.949 0.687 43 1HG GLU 84 2HG GLU 84 171.606 15.080 1.889 44 2HG GLU 84 1HG GLU 84 170.159 16.030 1.548 45 H ASP 85 H ASP 85 171.396 12.339 -1.449 46 HA ASP 85 HA ASP 85 169.170 10.733 -2.330 47 1HB ASP 85 2HB ASP 85 170.750 12.129 -3.722 48 2HB ASP 85 1HB ASP 85 171.985 10.899 -3.455 49 H PHE 86 H PHE 86 172.491 9.913 -1.365 50 HA PHE 86 HA PHE 86 172.157 7.038 -1.677 51 1HB PHE 86 2HB PHE 86 174.207 8.987 -1.031 52 2HB PHE 86 1HB PHE 86 174.300 7.610 0.063 53 HD1 PHE 86 HD1 PHE 86 176.170 6.404 -0.710 54 HD2 PHE 86 HD2 PHE 86 173.174 7.661 -3.520 55 HE1 PHE 86 HE1 PHE 86 177.256 5.045 -2.474 56 HE2 PHE 86 HE2 PHE 86 174.262 6.298 -5.284 57 HZ PHE 86 HZ PHE 86 176.302 4.992 -4.761 58 H VAL 87 H VAL 87 171.939 9.274 1.109 59 HA VAL 87 HA VAL 87 171.799 7.198 3.088 60 HB VAL 87 HB VAL 87 170.849 10.084 3.075 61 1HG1 VAL 87 1HG1 VAL 87 170.884 9.977 5.487 62 2HG1 VAL 87 2HG1 VAL 87 171.537 8.339 5.457 63 3HG1 VAL 87 3HG1 VAL 87 169.886 8.640 4.915 64 1HG2 VAL 87 1HG2 VAL 87 173.005 10.691 3.593 65 2HG2 VAL 87 2HG2 VAL 87 173.381 9.219 2.699 66 3HG2 VAL 87 3HG2 VAL 87 173.330 9.192 4.460 67 H LYS 88 H LYS 88 169.293 9.112 1.400 68 HA LYS 88 HA LYS 88 166.990 8.187 2.769 69 1HB LYS 88 2HB LYS 88 167.523 9.088 -0.069 70 2HB LYS 88 1HB LYS 88 165.897 8.802 0.544 71 1HG LYS 88 2HG LYS 88 167.842 10.626 1.964 72 2HG LYS 88 1HG LYS 88 166.768 11.213 0.693 73 1HD LYS 88 2HD LYS 88 164.811 10.473 1.949 74 2HD LYS 88 1HD LYS 88 165.844 9.763 3.191 75 1HE LYS 88 2HE LYS 88 165.084 11.948 3.979 76 2HE LYS 88 1HE LYS 88 166.810 12.074 3.587 77 1HZ LYS 88 1HZ LYS 88 164.664 12.639 1.620 78 2HZ LYS 88 2HZ LYS 88 166.320 12.990 1.481 79 3HZ LYS 88 3HZ LYS 88 165.358 13.847 2.587 80 H ALA 89 H ALA 89 168.759 6.738 0.074 81 HA ALA 89 HA ALA 89 166.843 4.726 -0.643 82 1HB ALA 89 1HB ALA 89 169.770 4.221 -0.875 83 2HB ALA 89 2HB ALA 89 169.131 5.661 -1.670 84 3HB ALA 89 3HB ALA 89 168.502 4.068 -2.092 85 H PHE 90 H PHE 90 169.747 4.441 1.509 86 HA PHE 90 HA PHE 90 169.059 1.697 2.193 87 1HB PHE 90 2HB PHE 90 171.065 3.735 3.191 88 2HB PHE 90 1HB PHE 90 171.003 2.079 3.793 89 HD1 PHE 90 HD1 PHE 90 172.365 4.214 1.297 90 HD2 PHE 90 HD2 PHE 90 170.984 0.197 1.954 91 HE1 PHE 90 HE1 PHE 90 173.670 3.441 -0.665 92 HE2 PHE 90 HE2 PHE 90 172.290 -0.573 -0.008 93 HZ PHE 90 HZ PHE 90 173.632 1.050 -1.317 94 H GLN 91 H GLN 91 169.312 4.663 4.181 95 HA GLN 91 HA GLN 91 168.378 3.758 6.611 96 1HB GLN 91 2HB GLN 91 168.090 6.356 5.130 97 2HB GLN 91 1HB GLN 91 167.441 6.184 6.760 98 1HG GLN 91 2HG GLN 91 169.779 5.237 7.366 99 2HG GLN 91 1HG GLN 91 170.307 5.968 5.850 100 1HE2 GLN 91 1HE2 GLN 91 171.008 6.797 8.656 101 2HE2 GLN 91 2HE2 GLN 91 170.518 8.417 8.785 102 H VAL 92 H VAL 92 166.284 4.704 3.853 103 HA VAL 92 HA VAL 92 163.818 4.710 5.240 104 HB VAL 92 HB VAL 92 164.169 5.516 2.934 105 1HG1 VAL 92 1HG1 VAL 92 165.680 3.422 2.458 106 2HG1 VAL 92 2HG1 VAL 92 164.749 4.135 1.144 107 3HG1 VAL 92 3HG1 VAL 92 164.166 2.678 1.948 108 1HG2 VAL 92 1HG2 VAL 92 162.185 3.226 3.061 109 2HG2 VAL 92 2HG2 VAL 92 162.143 4.560 1.908 110 3HG2 VAL 92 3HG2 VAL 92 161.886 4.870 3.624 111 H PHE 93 H PHE 93 165.650 2.010 3.845 112 HA PHE 93 HA PHE 93 163.672 -0.053 4.284 113 1HB PHE 93 2HB PHE 93 165.698 -0.181 2.802 114 2HB PHE 93 1HB PHE 93 166.708 -0.214 4.247 115 HD1 PHE 93 HD1 PHE 93 166.742 -2.161 5.726 116 HD2 PHE 93 HD2 PHE 93 164.280 -2.082 2.207 117 HE1 PHE 93 HE1 PHE 93 166.396 -4.610 5.912 118 HE2 PHE 93 HE2 PHE 93 163.935 -4.531 2.393 119 HZ PHE 93 HZ PHE 93 164.993 -5.795 4.246 120 H ASP 94 H ASP 94 166.394 1.210 6.247 121 HA ASP 94 HA ASP 94 166.190 -0.618 8.431 122 1HB ASP 94 2HB ASP 94 167.322 2.073 7.864 123 2HB ASP 94 1HB ASP 94 167.124 1.656 9.566 124 H LYS 95 H LYS 95 163.807 -0.791 8.674 125 HA LYS 95 HA LYS 95 162.139 1.394 9.503 126 1HB LYS 95 2HB LYS 95 162.021 -1.610 9.916 127 2HB LYS 95 1HB LYS 95 160.689 -0.522 10.304 128 1HG LYS 95 2HG LYS 95 161.972 -0.609 7.566 129 2HG LYS 95 1HG LYS 95 160.587 -1.612 7.999 130 1HD LYS 95 2HD LYS 95 159.347 0.462 8.646 131 2HD LYS 95 1HD LYS 95 160.708 1.416 8.056 132 1HE LYS 95 2HE LYS 95 160.416 0.174 5.822 133 2HE LYS 95 1HE LYS 95 158.845 -0.355 6.458 134 1HZ LYS 95 1HZ LYS 95 159.780 2.465 6.353 135 2HZ LYS 95 2HZ LYS 95 158.262 1.929 6.899 136 3HZ LYS 95 3HZ LYS 95 158.684 1.769 5.262 137 H GLU 96 H GLU 96 164.426 -0.631 11.248 138 HA GLU 96 HA GLU 96 163.455 0.472 13.853 139 1HB GLU 96 2HB GLU 96 165.313 -1.828 13.155 140 2HB GLU 96 1HB GLU 96 164.792 -1.404 14.785 141 1HG GLU 96 2HG GLU 96 162.398 -1.687 13.963 142 2HG GLU 96 1HG GLU 96 163.077 -2.398 12.499 143 H SER 97 H SER 97 165.393 1.660 11.627 144 HA SER 97 HA SER 97 167.438 2.760 11.517 145 1HB SER 97 2HB SER 97 165.736 4.156 12.707 146 2HB SER 97 1HB SER 97 166.404 3.597 14.239 147 HG SER 97 HG SER 97 168.435 4.458 13.510 148 H THR 98 H THR 98 168.522 0.424 12.008 149 HA THR 98 HA THR 98 169.968 0.429 14.605 150 HB THR 98 HB THR 98 170.805 -1.772 13.650 151 HG1 THR 98 HG1 THR 98 170.419 -2.178 11.638 152 1HG2 THR 98 1HG2 THR 98 168.992 -2.194 14.997 153 2HG2 THR 98 2HG2 THR 98 168.279 -2.657 13.452 154 3HG2 THR 98 3HG2 THR 98 167.954 -1.062 14.130 155 H GLY 99 H GLY 99 170.544 0.900 11.153 156 1HA GLY 99 2HA GLY 99 172.284 2.319 10.280 157 2HA GLY 99 1HA GLY 99 173.147 2.159 11.804 158 H LYS 100 H LYS 100 172.022 -0.870 10.681 159 HA LYS 100 HA LYS 100 174.647 -1.430 9.355 160 1HB LYS 100 2HB LYS 100 173.196 -2.816 11.605 161 2HB LYS 100 1HB LYS 100 174.380 -3.679 10.622 162 1HG LYS 100 2HG LYS 100 175.962 -1.704 11.113 163 2HG LYS 100 1HG LYS 100 174.816 -1.266 12.382 164 1HD LYS 100 2HD LYS 100 175.153 -3.313 13.543 165 2HD LYS 100 1HD LYS 100 175.962 -4.050 12.160 166 1HE LYS 100 2HE LYS 100 177.744 -3.460 13.626 167 2HE LYS 100 1HE LYS 100 177.713 -2.136 12.444 168 1HZ LYS 100 1HZ LYS 100 176.237 -2.136 15.024 169 2HZ LYS 100 2HZ LYS 100 176.313 -0.861 13.904 170 3HZ LYS 100 3HZ LYS 100 177.705 -1.329 14.759 171 H VAL 101 H VAL 101 174.518 -3.210 7.774 172 HA VAL 101 HA VAL 101 171.849 -4.360 7.229 173 HB VAL 101 HB VAL 101 171.957 -3.550 4.853 174 1HG1 VAL 101 1HG1 VAL 101 171.167 -1.354 5.324 175 2HG1 VAL 101 2HG1 VAL 101 172.181 -1.214 6.759 176 3HG1 VAL 101 3HG1 VAL 101 170.790 -2.298 6.765 177 1HG2 VAL 101 1HG2 VAL 101 174.470 -3.251 4.889 178 2HG2 VAL 101 2HG2 VAL 101 174.220 -1.795 5.850 179 3HG2 VAL 101 3HG2 VAL 101 173.585 -1.886 4.208 180 H SER 102 H SER 102 171.978 -6.124 5.616 181 HA SER 102 HA SER 102 174.468 -7.674 5.864 182 1HB SER 102 2HB SER 102 172.994 -9.265 4.474 183 2HB SER 102 1HB SER 102 172.413 -8.844 6.082 184 HG SER 102 HG SER 102 170.700 -8.194 5.056 185 H VAL 103 H VAL 103 175.865 -8.180 4.128 186 HA VAL 103 HA VAL 103 176.291 -6.303 2.054 187 HB VAL 103 HB VAL 103 177.927 -7.938 2.922 188 1HG1 VAL 103 1HG1 VAL 103 177.766 -10.260 2.551 189 2HG1 VAL 103 2HG1 VAL 103 176.548 -10.065 1.292 190 3HG1 VAL 103 3HG1 VAL 103 176.119 -9.797 2.981 191 1HG2 VAL 103 1HG2 VAL 103 178.798 -7.265 0.914 192 2HG2 VAL 103 2HG2 VAL 103 177.322 -7.646 0.029 193 3HG2 VAL 103 3HG2 VAL 103 178.454 -8.931 0.450 194 H GLY 104 H GLY 104 174.427 -9.366 1.975 195 1HA GLY 104 2HA GLY 104 173.922 -9.424 -0.816 196 2HA GLY 104 1HA GLY 104 172.889 -10.162 0.408 197 H ASP 105 H ASP 105 172.171 -7.797 1.819 198 HA ASP 105 HA ASP 105 170.076 -6.773 0.043 199 1HB ASP 105 2HB ASP 105 169.944 -7.368 2.537 200 2HB ASP 105 1HB ASP 105 170.815 -5.863 2.833 201 H LEU 106 H LEU 106 172.984 -5.484 1.628 202 HA LEU 106 HA LEU 106 172.688 -2.738 0.923 203 1HB LEU 106 2HB LEU 106 174.319 -3.679 2.538 204 2HB LEU 106 1HB LEU 106 175.186 -4.446 1.209 205 HG LEU 106 HG LEU 106 175.309 -2.029 0.220 206 1HD1 LEU 106 1HD1 LEU 106 175.079 -0.232 1.719 207 2HD1 LEU 106 2HD1 LEU 106 175.158 -1.281 3.134 208 3HD1 LEU 106 3HD1 LEU 106 173.709 -1.263 2.128 209 1HD2 LEU 106 1HD2 LEU 106 177.353 -1.587 1.665 210 2HD2 LEU 106 2HD2 LEU 106 177.301 -3.184 0.920 211 3HD2 LEU 106 3HD2 LEU 106 176.885 -2.992 2.623 212 H ARG 107 H ARG 107 174.468 -5.350 -0.787 213 HA ARG 107 HA ARG 107 175.248 -3.754 -3.029 214 1HB ARG 107 2HB ARG 107 176.034 -6.085 -2.182 215 2HB ARG 107 1HB ARG 107 174.678 -6.721 -3.113 216 1HG ARG 107 2HG ARG 107 175.612 -5.370 -5.092 217 2HG ARG 107 1HG ARG 107 177.082 -5.195 -4.129 218 1HD ARG 107 2HD ARG 107 177.592 -7.157 -5.276 219 2HD ARG 107 1HD ARG 107 176.766 -7.849 -3.866 220 HE ARG 107 HE ARG 107 174.912 -7.100 -5.987 221 1HH1 ARG 107 2HH1 ARG 107 177.459 -9.212 -6.172 222 2HH1 ARG 107 1HH1 ARG 107 176.510 -10.648 -6.368 223 1HH2 ARG 107 1HH2 ARG 107 173.504 -9.077 -5.651 224 2HH2 ARG 107 2HH2 ARG 107 174.271 -10.571 -6.073 225 H TYR 108 H TYR 108 172.295 -5.566 -2.331 226 HA TYR 108 HA TYR 108 171.224 -5.495 -5.009 227 1HB TYR 108 2HB TYR 108 170.567 -6.924 -2.952 228 2HB TYR 108 1HB TYR 108 169.636 -5.520 -2.431 229 HD1 TYR 108 HD1 TYR 108 169.803 -8.334 -4.722 230 HD2 TYR 108 HD2 TYR 108 167.813 -4.615 -3.913 231 HE1 TYR 108 HE1 TYR 108 167.967 -8.984 -6.256 232 HE2 TYR 108 HE2 TYR 108 165.976 -5.264 -5.446 233 HH TYR 108 HH TYR 108 165.557 -8.420 -6.578 234 H MET 109 H MET 109 170.659 -3.381 -2.168 235 HA MET 109 HA MET 109 168.898 -1.630 -3.610 236 1HB MET 109 2HB MET 109 170.297 -1.750 -0.999 237 2HB MET 109 1HB MET 109 169.748 -0.154 -1.510 238 1HG MET 109 2HG MET 109 167.665 -2.074 -2.051 239 2HG MET 109 1HG MET 109 168.202 -2.262 -0.384 240 1HE MET 109 1HE MET 109 167.965 0.204 -3.038 241 2HE MET 109 2HE MET 109 168.252 1.652 -2.078 242 3HE MET 109 3HE MET 109 166.624 1.285 -2.639 243 H LEU 110 H LEU 110 172.407 -1.686 -3.055 244 HA LEU 110 HA LEU 110 173.033 1.005 -3.743 245 1HB LEU 110 2HB LEU 110 174.546 -0.722 -2.734 246 2HB LEU 110 1HB LEU 110 174.579 -1.557 -4.287 247 HG LEU 110 HG LEU 110 175.390 0.661 -5.286 248 1HD1 LEU 110 1HD1 LEU 110 175.129 2.361 -3.770 249 2HD1 LEU 110 2HD1 LEU 110 176.732 1.837 -3.253 250 3HD1 LEU 110 3HD1 LEU 110 175.302 1.286 -2.383 251 1HD2 LEU 110 1HD2 LEU 110 177.134 -0.773 -3.256 252 2HD2 LEU 110 2HD2 LEU 110 177.723 0.216 -4.593 253 3HD2 LEU 110 3HD2 LEU 110 176.863 -1.288 -4.921 254 H THR 111 H THR 111 172.624 -1.921 -5.745 255 HA THR 111 HA THR 111 173.293 -0.683 -8.248 256 HB THR 111 HB THR 111 172.060 -2.726 -9.123 257 HG1 THR 111 HG1 THR 111 171.439 -4.196 -7.473 258 1HG2 THR 111 1HG2 THR 111 174.521 -2.532 -8.198 259 2HG2 THR 111 2HG2 THR 111 173.840 -4.114 -8.578 260 3HG2 THR 111 3HG2 THR 111 173.894 -3.554 -6.906 261 H GLY 112 H GLY 112 170.482 -0.554 -6.242 262 1HA GLY 112 2HA GLY 112 168.635 0.245 -8.395 263 2HA GLY 112 1HA GLY 112 168.229 0.071 -6.690 264 H LEU 113 H LEU 113 170.903 1.717 -6.291 265 HA LEU 113 HA LEU 113 169.521 4.312 -6.111 266 1HB LEU 113 2HB LEU 113 171.184 2.826 -4.518 267 2HB LEU 113 1HB LEU 113 172.322 3.970 -5.228 268 HG LEU 113 HG LEU 113 169.736 4.723 -3.830 269 1HD1 LEU 113 1HD1 LEU 113 172.595 5.103 -2.903 270 2HD1 LEU 113 2HD1 LEU 113 171.574 3.766 -2.375 271 3HD1 LEU 113 3HD1 LEU 113 171.125 5.424 -1.989 272 1HD2 LEU 113 1HD2 LEU 113 172.023 6.361 -4.968 273 2HD2 LEU 113 2HD2 LEU 113 170.755 7.020 -3.935 274 3HD2 LEU 113 3HD2 LEU 113 170.348 6.361 -5.519 275 H GLY 114 H GLY 114 171.204 2.931 -8.618 276 1HA GLY 114 2HA GLY 114 171.900 4.274 -10.543 277 2HA GLY 114 1HA GLY 114 172.390 5.549 -9.423 278 H GLU 115 H GLU 115 173.027 2.172 -8.943 279 HA GLU 115 HA GLU 115 175.981 2.672 -9.251 280 1HB GLU 115 2HB GLU 115 174.889 2.142 -6.958 281 2HB GLU 115 1HB GLU 115 174.727 0.501 -7.583 282 1HG GLU 115 2HG GLU 115 176.821 0.322 -6.633 283 2HG GLU 115 1HG GLU 115 177.286 0.893 -8.234 284 H LYS 116 H LYS 116 176.801 1.603 -11.044 285 HA LYS 116 HA LYS 116 175.540 -1.003 -11.745 286 1HB LYS 116 2HB LYS 116 176.546 1.240 -13.539 287 2HB LYS 116 1HB LYS 116 176.152 -0.366 -14.154 288 1HG LYS 116 2HG LYS 116 173.850 -0.137 -13.297 289 2HG LYS 116 1HG LYS 116 174.239 1.471 -12.682 290 1HD LYS 116 2HD LYS 116 174.516 0.691 -15.596 291 2HD LYS 116 1HD LYS 116 173.078 1.465 -14.930 292 1HE LYS 116 2HE LYS 116 174.914 3.175 -13.968 293 2HE LYS 116 1HE LYS 116 175.791 2.616 -15.407 294 1HZ LYS 116 1HZ LYS 116 173.012 3.668 -15.327 295 2HZ LYS 116 2HZ LYS 116 173.751 3.002 -16.704 296 3HZ LYS 116 3HZ LYS 116 174.358 4.434 -16.021 297 H LEU 117 H LEU 117 177.347 -1.345 -10.049 298 HA LEU 117 HA LEU 117 180.043 -1.669 -11.248 299 1HB LEU 117 2HB LEU 117 178.874 -2.275 -8.505 300 2HB LEU 117 1HB LEU 117 180.586 -2.330 -8.926 301 HG LEU 117 HG LEU 117 178.871 0.152 -9.199 302 1HD1 LEU 117 1HD1 LEU 117 179.444 -0.922 -6.812 303 2HD1 LEU 117 2HD1 LEU 117 179.489 0.820 -7.079 304 3HD1 LEU 117 3HD1 LEU 117 180.984 -0.115 -7.107 305 1HD2 LEU 117 1HD2 LEU 117 181.830 -0.446 -9.434 306 2HD2 LEU 117 2HD2 LEU 117 181.211 1.192 -9.219 307 3HD2 LEU 117 3HD2 LEU 117 180.769 0.265 -10.651 308 H THR 118 H THR 118 180.942 -3.804 -11.528 309 HA THR 118 HA THR 118 178.894 -5.991 -11.611 310 HB THR 118 HB THR 118 181.504 -5.758 -13.111 311 HG1 THR 118 HG1 THR 118 180.234 -4.054 -13.739 312 1HG2 THR 118 1HG2 THR 118 179.069 -7.278 -13.978 313 2HG2 THR 118 2HG2 THR 118 180.158 -7.984 -12.784 314 3HG2 THR 118 3HG2 THR 118 180.761 -7.563 -14.387 315 H ASP 119 H ASP 119 179.393 -7.956 -10.512 316 HA ASP 119 HA ASP 119 180.868 -8.154 -8.246 317 1HB ASP 119 2HB ASP 119 179.393 -9.853 -9.437 318 2HB ASP 119 1HB ASP 119 180.833 -10.348 -10.326 319 H ALA 120 H ALA 120 182.276 -8.284 -11.485 320 HA ALA 120 HA ALA 120 184.913 -9.246 -10.808 321 1HB ALA 120 1HB ALA 120 183.960 -9.057 -13.095 322 2HB ALA 120 2HB ALA 120 185.485 -8.181 -12.964 323 3HB ALA 120 3HB ALA 120 183.957 -7.300 -12.939 324 H GLU 121 H GLU 121 183.649 -5.915 -11.239 325 HA GLU 121 HA GLU 121 186.049 -4.667 -10.140 326 1HB GLU 121 2HB GLU 121 183.284 -3.786 -10.981 327 2HB GLU 121 1HB GLU 121 184.427 -2.652 -10.264 328 1HG GLU 121 2HG GLU 121 186.070 -3.170 -12.017 329 2HG GLU 121 1HG GLU 121 184.957 -4.340 -12.726 330 H VAL 122 H VAL 122 182.740 -5.299 -8.981 331 HA VAL 122 HA VAL 122 182.903 -3.993 -6.433 332 HB VAL 122 HB VAL 122 181.376 -6.468 -7.323 333 1HG1 VAL 122 1HG1 VAL 122 181.160 -4.652 -4.923 334 2HG1 VAL 122 2HG1 VAL 122 181.157 -6.415 -4.974 335 3HG1 VAL 122 3HG1 VAL 122 179.744 -5.515 -5.529 336 1HG2 VAL 122 1HG2 VAL 122 180.939 -4.529 -8.762 337 2HG2 VAL 122 2HG2 VAL 122 180.652 -3.522 -7.343 338 3HG2 VAL 122 3HG2 VAL 122 179.541 -4.836 -7.732 339 H ASP 123 H ASP 123 183.973 -7.228 -7.463 340 HA ASP 123 HA ASP 123 184.489 -8.218 -4.813 341 1HB ASP 123 2HB ASP 123 184.308 -9.626 -6.854 342 2HB ASP 123 1HB ASP 123 185.778 -8.887 -7.491 343 H GLU 124 H GLU 124 186.414 -6.339 -7.117 344 HA GLU 124 HA GLU 124 188.934 -6.411 -5.734 345 1HB GLU 124 2HB GLU 124 187.578 -4.391 -7.548 346 2HB GLU 124 1HB GLU 124 189.262 -4.256 -7.040 347 1HG GLU 124 2HG GLU 124 188.123 -6.694 -8.432 348 2HG GLU 124 1HG GLU 124 188.951 -5.384 -9.274 349 H LEU 125 H LEU 125 186.249 -4.050 -5.631 350 HA LEU 125 HA LEU 125 187.326 -2.301 -3.650 351 1HB LEU 125 2HB LEU 125 184.702 -2.967 -4.869 352 2HB LEU 125 1HB LEU 125 184.626 -2.145 -3.313 353 HG LEU 125 HG LEU 125 184.626 -0.527 -5.182 354 1HD1 LEU 125 1HD1 LEU 125 186.052 0.966 -4.147 355 2HD1 LEU 125 2HD1 LEU 125 187.345 -0.221 -3.976 356 3HD1 LEU 125 3HD1 LEU 125 185.956 -0.269 -2.891 357 1HD2 LEU 125 1HD2 LEU 125 186.417 -0.356 -6.736 358 2HD2 LEU 125 2HD2 LEU 125 186.057 -2.081 -6.657 359 3HD2 LEU 125 3HD2 LEU 125 187.446 -1.430 -5.789 360 H LEU 126 H LEU 126 185.109 -5.076 -3.359 361 HA LEU 126 HA LEU 126 184.718 -5.044 -0.541 362 1HB LEU 126 2HB LEU 126 184.636 -7.122 -2.716 363 2HB LEU 126 1HB LEU 126 184.318 -7.570 -1.040 364 HG LEU 126 HG LEU 126 182.882 -5.313 -2.456 365 1HD1 LEU 126 1HD1 LEU 126 180.968 -6.968 -2.520 366 2HD1 LEU 126 2HD1 LEU 126 182.132 -8.225 -2.096 367 3HD1 LEU 126 3HD1 LEU 126 182.299 -7.343 -3.615 368 1HD2 LEU 126 1HD2 LEU 126 182.591 -6.749 0.186 369 2HD2 LEU 126 2HD2 LEU 126 181.234 -5.883 -0.536 370 3HD2 LEU 126 3HD2 LEU 126 182.709 -5.015 -0.113 371 H LYS 127 H LYS 127 187.512 -5.967 -2.396 372 HA LYS 127 HA LYS 127 188.711 -7.968 -0.853 373 1HB LYS 127 2HB LYS 127 189.490 -7.088 -3.021 374 2HB LYS 127 1HB LYS 127 189.984 -5.588 -2.238 375 1HG LYS 127 2HG LYS 127 191.049 -8.072 -1.017 376 2HG LYS 127 1HG LYS 127 191.658 -7.697 -2.629 377 1HD LYS 127 2HD LYS 127 192.067 -5.318 -1.741 378 2HD LYS 127 1HD LYS 127 191.824 -6.002 -0.134 379 1HE LYS 127 2HE LYS 127 193.718 -7.427 -0.327 380 2HE LYS 127 1HE LYS 127 193.802 -7.204 -2.086 381 1HZ LYS 127 1HZ LYS 127 194.184 -5.075 -0.046 382 2HZ LYS 127 2HZ LYS 127 194.219 -4.844 -1.729 383 3HZ LYS 127 3HZ LYS 127 195.414 -5.786 -0.971 384 H GLY 128 H GLY 128 188.234 -4.590 -0.018 385 1HA GLY 128 2HA GLY 128 190.018 -4.949 2.353 386 2HA GLY 128 1HA GLY 128 189.750 -3.392 1.573 387 H VAL 129 H VAL 129 187.081 -5.653 2.068 388 HA VAL 129 HA VAL 129 185.953 -3.713 4.061 389 HB VAL 129 HB VAL 129 184.776 -4.068 1.856 390 1HG1 VAL 129 1HG1 VAL 129 183.628 -6.649 2.629 391 2HG1 VAL 129 2HG1 VAL 129 185.358 -6.752 2.311 392 3HG1 VAL 129 3HG1 VAL 129 184.270 -6.127 1.073 393 1HG2 VAL 129 1HG2 VAL 129 183.431 -4.844 4.450 394 2HG2 VAL 129 2HG2 VAL 129 182.522 -4.630 2.953 395 3HG2 VAL 129 3HG2 VAL 129 183.419 -3.277 3.642 396 H GLU 130 H GLU 130 185.686 -4.336 6.067 397 HA GLU 130 HA GLU 130 186.153 -7.196 6.827 398 1HB GLU 130 2HB GLU 130 187.546 -5.258 7.672 399 2HB GLU 130 1HB GLU 130 186.103 -4.680 8.506 400 1HG GLU 130 2HG GLU 130 187.232 -5.973 10.136 401 2HG GLU 130 1HG GLU 130 185.973 -7.048 9.527 402 H VAL 131 H VAL 131 184.190 -8.232 6.820 403 HA VAL 131 HA VAL 131 181.774 -6.941 7.982 404 HB VAL 131 HB VAL 131 180.667 -8.974 7.169 405 1HG1 VAL 131 1HG1 VAL 131 181.613 -7.061 5.593 406 2HG1 VAL 131 2HG1 VAL 131 180.839 -8.494 4.914 407 3HG1 VAL 131 3HG1 VAL 131 182.599 -8.381 4.963 408 1HG2 VAL 131 1HG2 VAL 131 181.870 -10.826 6.193 409 2HG2 VAL 131 2HG2 VAL 131 182.572 -10.525 7.781 410 3HG2 VAL 131 3HG2 VAL 131 183.407 -9.973 6.329 411 H ASP 132 H ASP 132 180.613 -8.096 9.761 412 HA ASP 132 HA ASP 132 182.544 -9.077 11.779 413 1HB ASP 132 2HB ASP 132 179.634 -8.239 11.790 414 2HB ASP 132 1HB ASP 132 180.466 -8.826 13.230 415 H SER 133 H SER 133 181.330 -10.771 13.312 416 HA SER 133 HA SER 133 181.237 -13.276 11.878 417 1HB SER 133 2HB SER 133 180.869 -12.280 14.665 418 2HB SER 133 1HB SER 133 180.289 -13.902 14.302 419 HG SER 133 HG SER 133 182.286 -14.559 14.039 420 H ASN 134 H ASN 134 178.811 -10.928 12.046 421 HA ASN 134 HA ASN 134 176.621 -12.963 11.956 422 1HB ASN 134 2HB ASN 134 175.191 -10.998 12.452 423 2HB ASN 134 1HB ASN 134 176.461 -11.181 13.660 424 1HD2 ASN 134 1HD2 ASN 134 175.780 -8.708 13.839 425 2HD2 ASN 134 2HD2 ASN 134 176.690 -7.631 12.896 426 H GLY 135 H GLY 135 178.555 -11.023 9.919 427 1HA GLY 135 2HA GLY 135 178.415 -10.950 7.548 428 2HA GLY 135 1HA GLY 135 176.788 -11.623 7.647 429 H GLU 136 H GLU 136 177.667 -8.884 9.618 430 HA GLU 136 HA GLU 136 175.806 -7.178 8.001 431 1HB GLU 136 2HB GLU 136 176.657 -7.213 10.910 432 2HB GLU 136 1HB GLU 136 175.643 -5.949 10.212 433 1HG GLU 136 2HG GLU 136 173.985 -7.647 9.534 434 2HG GLU 136 1HG GLU 136 174.993 -8.912 10.234 435 H ILE 137 H ILE 137 176.479 -5.242 7.244 436 HA ILE 137 HA ILE 137 179.244 -4.297 7.925 437 HB ILE 137 HB ILE 137 177.848 -4.490 5.229 438 1HG1 ILE 137 2HG1 ILE 137 180.083 -5.875 4.882 439 2HG1 ILE 137 1HG1 ILE 137 179.998 -6.041 6.636 440 1HG2 ILE 137 1HG2 ILE 137 180.532 -3.314 6.014 441 2HG2 ILE 137 2HG2 ILE 137 179.186 -2.476 5.241 442 3HG2 ILE 137 3HG2 ILE 137 180.086 -3.706 4.353 443 1HD1 ILE 137 1HD1 ILE 137 178.336 -7.557 6.487 444 2HD1 ILE 137 2HD1 ILE 137 178.630 -7.595 4.750 445 3HD1 ILE 137 3HD1 ILE 137 177.399 -6.520 5.411 446 H ASP 138 H ASP 138 179.469 -1.899 7.278 447 HA ASP 138 HA ASP 138 177.004 -0.461 8.114 448 1HB ASP 138 2HB ASP 138 179.251 -0.161 9.219 449 2HB ASP 138 1HB ASP 138 179.851 0.522 7.708 450 H TYR 139 H TYR 139 175.729 0.162 6.382 451 HA TYR 139 HA TYR 139 176.574 0.306 3.666 452 1HB TYR 139 2HB TYR 139 174.362 1.169 3.284 453 2HB TYR 139 1HB TYR 139 174.264 -0.027 4.569 454 HD1 TYR 139 HD1 TYR 139 173.933 3.506 3.689 455 HD2 TYR 139 HD2 TYR 139 173.917 0.684 6.928 456 HE1 TYR 139 HE1 TYR 139 172.862 5.194 5.154 457 HE2 TYR 139 HE2 TYR 139 172.854 2.375 8.393 458 HH TYR 139 HH TYR 139 172.671 4.847 8.519 459 H LYS 140 H LYS 140 176.814 2.728 6.218 460 HA LYS 140 HA LYS 140 177.037 4.959 4.359 461 1HB LYS 140 2HB LYS 140 177.586 4.633 7.323 462 2HB LYS 140 1HB LYS 140 177.586 6.183 6.484 463 1HG LYS 140 2HG LYS 140 175.230 5.700 5.744 464 2HG LYS 140 1HG LYS 140 175.255 4.276 6.785 465 1HD LYS 140 2HD LYS 140 174.256 6.026 8.078 466 2HD LYS 140 1HD LYS 140 175.898 5.832 8.696 467 1HE LYS 140 2HE LYS 140 176.665 7.794 7.591 468 2HE LYS 140 1HE LYS 140 175.236 7.855 6.540 469 1HZ LYS 140 1HZ LYS 140 175.129 9.386 8.488 470 2HZ LYS 140 2HZ LYS 140 175.112 8.023 9.501 471 3HZ LYS 140 3HZ LYS 140 173.844 8.284 8.402 472 H LYS 141 H LYS 141 179.239 2.859 6.144 473 HA LYS 141 HA LYS 141 181.641 4.401 5.781 474 1HB LYS 141 2HB LYS 141 181.080 1.468 6.294 475 2HB LYS 141 1HB LYS 141 182.691 2.183 6.383 476 1HG LYS 141 2HG LYS 141 180.344 3.245 7.968 477 2HG LYS 141 1HG LYS 141 181.444 2.019 8.599 478 1HD LYS 141 2HD LYS 141 183.351 3.602 8.088 479 2HD LYS 141 1HD LYS 141 182.141 4.836 7.736 480 1HE LYS 141 2HE LYS 141 181.307 4.791 9.990 481 2HE LYS 141 1HE LYS 141 182.242 3.331 10.370 482 1HZ LYS 141 1HZ LYS 141 183.371 5.966 9.577 483 2HZ LYS 141 2HZ LYS 141 184.276 4.560 9.880 484 3HZ LYS 141 3HZ LYS 141 183.408 5.304 11.138 485 H PHE 142 H PHE 142 180.350 1.581 3.988 486 HA PHE 142 HA PHE 142 182.549 1.477 2.152 487 1HB PHE 142 2HB PHE 142 181.032 -0.410 2.708 488 2HB PHE 142 1HB PHE 142 179.706 0.428 1.907 489 HD1 PHE 142 HD1 PHE 142 179.201 -0.443 -0.190 490 HD2 PHE 142 HD2 PHE 142 183.303 -0.292 1.083 491 HE1 PHE 142 HE1 PHE 142 179.915 -1.401 -2.365 492 HE2 PHE 142 HE2 PHE 142 184.014 -1.248 -1.090 493 HZ PHE 142 HZ PHE 142 182.320 -1.803 -2.815 494 H ILE 143 H ILE 143 179.515 3.317 2.095 495 HA ILE 143 HA ILE 143 179.756 3.977 -0.757 496 HB ILE 143 HB ILE 143 177.806 5.376 -0.292 497 1HG1 ILE 143 2HG1 ILE 143 178.264 4.714 2.640 498 2HG1 ILE 143 1HG1 ILE 143 178.563 6.284 1.903 499 1HG2 ILE 143 1HG2 ILE 143 177.810 2.675 1.069 500 2HG2 ILE 143 2HG2 ILE 143 177.302 3.052 -0.577 501 3HG2 ILE 143 3HG2 ILE 143 176.339 3.608 0.792 502 1HD1 ILE 143 1HD1 ILE 143 176.194 6.455 1.267 503 2HD1 ILE 143 2HD1 ILE 143 176.361 6.240 3.007 504 3HD1 ILE 143 3HD1 ILE 143 175.881 4.879 1.993 505 H GLU 144 H GLU 144 180.431 5.707 2.308 506 HA GLU 144 HA GLU 144 181.217 8.184 1.087 507 1HB GLU 144 2HB GLU 144 181.959 6.801 3.682 508 2HB GLU 144 1HB GLU 144 182.347 8.484 3.324 509 1HG GLU 144 2HG GLU 144 179.974 9.015 3.069 510 2HG GLU 144 1HG GLU 144 179.545 7.322 3.322 511 H ASP 145 H ASP 145 182.940 5.141 1.536 512 HA ASP 145 HA ASP 145 185.524 6.405 0.871 513 1HB ASP 145 2HB ASP 145 184.998 4.431 2.537 514 2HB ASP 145 1HB ASP 145 185.012 3.439 1.079 515 H VAL 146 H VAL 146 182.897 5.091 -0.876 516 HA VAL 146 HA VAL 146 184.606 4.386 -3.214 517 HB VAL 146 HB VAL 146 181.631 4.163 -2.614 518 1HG1 VAL 146 1HG1 VAL 146 181.733 2.640 -4.695 519 2HG1 VAL 146 2HG1 VAL 146 183.258 3.447 -5.059 520 3HG1 VAL 146 3HG1 VAL 146 181.764 4.380 -4.977 521 1HG2 VAL 146 1HG2 VAL 146 183.448 2.655 -1.479 522 2HG2 VAL 146 2HG2 VAL 146 183.551 1.891 -3.064 523 3HG2 VAL 146 3HG2 VAL 146 182.023 1.892 -2.184 524 H LEU 147 H LEU 147 182.047 6.582 -2.154 525 HA LEU 147 HA LEU 147 181.676 8.126 -4.543 526 1HB LEU 147 2HB LEU 147 181.111 8.275 -1.655 527 2HB LEU 147 1HB LEU 147 181.282 9.852 -2.426 528 HG LEU 147 HG LEU 147 179.680 9.021 -4.217 529 1HD1 LEU 147 1HD1 LEU 147 178.208 7.117 -3.460 530 2HD1 LEU 147 2HD1 LEU 147 179.374 6.802 -2.176 531 3HD1 LEU 147 3HD1 LEU 147 179.856 6.636 -3.864 532 1HD2 LEU 147 1HD2 LEU 147 178.776 10.538 -2.641 533 2HD2 LEU 147 2HD2 LEU 147 178.885 9.369 -1.325 534 3HD2 LEU 147 3HD2 LEU 147 177.671 9.165 -2.587 535 H ARG 148 H ARG 148 184.369 8.066 -2.352 536 HA ARG 148 HA ARG 148 185.370 10.715 -2.634 537 1HB ARG 148 2HB ARG 148 186.498 7.986 -2.103 538 2HB ARG 148 1HB ARG 148 187.614 9.329 -2.357 539 1HG ARG 148 2HG ARG 148 186.265 10.609 -0.610 540 2HG ARG 148 1HG ARG 148 185.472 9.078 -0.236 541 1HD ARG 148 2HD ARG 148 187.517 8.073 0.482 542 2HD ARG 148 1HD ARG 148 188.490 9.374 -0.233 543 HE ARG 148 HE ARG 148 186.549 9.963 1.966 544 1HH1 ARG 148 2HH1 ARG 148 189.384 8.977 2.641 545 2HH1 ARG 148 1HH1 ARG 148 190.191 10.485 2.914 546 1HH2 ARG 148 1HH2 ARG 148 187.713 12.387 1.409 547 2HH2 ARG 148 2HH2 ARG 148 189.245 12.416 2.217 548 H GLN 149 HN GLN 149 185.793 7.831 -4.690 549 HA GLN 149 HA GLN 149 186.908 9.608 -6.836 550 1HB GLN 149 2HB GLN 149 187.768 6.924 -5.765 551 2HB GLN 149 1HB GLN 149 188.183 7.401 -7.412 552 1HG GLN 149 2HG GLN 149 189.331 9.383 -6.611 553 2HG GLN 149 1HG GLN 149 188.800 9.069 -4.958 554 1HE2 GLN 149 1HE2 GLN 149 190.917 7.829 -7.554 555 2HE2 GLN 149 2HE2 GLN 149 191.896 6.892 -6.531 Start of MODEL 18 1 1H LYS 80 H LYS 80 178.400 16.826 -8.496 2 HA LYS 80 HA LYS 80 176.106 17.673 -9.132 3 1HB LYS 80 2HB LYS 80 176.742 14.737 -9.538 4 2HB LYS 80 1HB LYS 80 175.428 15.559 -10.382 5 1HG LYS 80 2HG LYS 80 177.036 17.181 -11.314 6 2HG LYS 80 1HG LYS 80 178.353 16.359 -10.474 7 1HD LYS 80 2HD LYS 80 176.529 15.011 -12.486 8 2HD LYS 80 1HD LYS 80 178.113 15.677 -12.885 9 1HE LYS 80 2HE LYS 80 178.898 14.182 -10.829 10 2HE LYS 80 1HE LYS 80 177.439 13.260 -11.245 11 1HZ LYS 80 1HZ LYS 80 179.586 14.066 -13.138 12 2HZ LYS 80 2HZ LYS 80 178.169 13.227 -13.557 13 3HZ LYS 80 3HZ LYS 80 179.327 12.497 -12.551 14 H ALA 81 H ALA 81 176.199 14.764 -7.110 15 HA ALA 81 HA ALA 81 173.343 15.212 -6.270 16 1HB ALA 81 1HB ALA 81 173.799 12.712 -5.575 17 2HB ALA 81 2HB ALA 81 175.136 12.848 -6.716 18 3HB ALA 81 3HB ALA 81 173.481 13.111 -7.263 19 H LYS 82 H LYS 82 172.899 14.804 -3.961 20 HA LYS 82 HA LYS 82 175.251 15.446 -2.209 21 1HB LYS 82 2HB LYS 82 172.270 15.929 -2.107 22 2HB LYS 82 1HB LYS 82 173.288 16.131 -0.680 23 1HG LYS 82 2HG LYS 82 174.064 17.455 -3.265 24 2HG LYS 82 1HG LYS 82 172.841 18.196 -2.232 25 1HD LYS 82 2HD LYS 82 174.495 17.964 -0.311 26 2HD LYS 82 1HD LYS 82 175.710 17.549 -1.521 27 1HE LYS 82 2HE LYS 82 174.132 19.985 -2.131 28 2HE LYS 82 1HE LYS 82 175.219 20.112 -0.734 29 1HZ LYS 82 1HZ LYS 82 176.987 19.137 -2.101 30 2HZ LYS 82 2HZ LYS 82 176.431 20.606 -2.749 31 3HZ LYS 82 3HZ LYS 82 175.950 19.132 -3.444 32 H THR 83 H THR 83 175.310 14.477 -0.143 33 HA THR 83 HA THR 83 175.222 11.660 -0.027 34 HB THR 83 HB THR 83 174.714 13.451 2.361 35 HG1 THR 83 HG1 THR 83 177.138 13.055 0.946 36 1HG2 THR 83 1HG2 THR 83 175.098 11.472 3.380 37 2HG2 THR 83 2HG2 THR 83 176.780 11.683 2.900 38 3HG2 THR 83 3HG2 THR 83 175.689 10.728 1.895 39 H GLU 84 H GLU 84 172.696 14.001 0.617 40 HA GLU 84 HA GLU 84 170.727 12.533 1.969 41 1HB GLU 84 2HB GLU 84 170.602 14.574 -0.273 42 2HB GLU 84 1HB GLU 84 169.176 14.068 0.643 43 1HG GLU 84 2HG GLU 84 170.243 14.797 2.739 44 2HG GLU 84 1HG GLU 84 171.687 15.275 1.846 45 H ASP 85 H ASP 85 171.509 12.475 -1.495 46 HA ASP 85 HA ASP 85 169.287 10.917 -2.411 47 1HB ASP 85 2HB ASP 85 170.985 12.200 -3.769 48 2HB ASP 85 1HB ASP 85 172.149 10.921 -3.424 49 H PHE 86 H PHE 86 172.565 9.911 -1.421 50 HA PHE 86 HA PHE 86 171.984 7.056 -1.600 51 1HB PHE 86 2HB PHE 86 174.203 8.881 -0.895 52 2HB PHE 86 1HB PHE 86 174.241 7.319 -0.080 53 HD1 PHE 86 HD1 PHE 86 175.513 8.933 -2.821 54 HD2 PHE 86 HD2 PHE 86 173.357 5.346 -1.852 55 HE1 PHE 86 HE1 PHE 86 176.350 7.868 -4.900 56 HE2 PHE 86 HE2 PHE 86 174.194 4.282 -3.929 57 HZ PHE 86 HZ PHE 86 175.690 5.541 -5.454 58 H VAL 87 H VAL 87 172.203 9.412 1.096 59 HA VAL 87 HA VAL 87 172.011 7.565 3.231 60 HB VAL 87 HB VAL 87 170.982 10.413 2.959 61 1HG1 VAL 87 1HG1 VAL 87 170.021 9.475 4.951 62 2HG1 VAL 87 2HG1 VAL 87 171.407 10.436 5.467 63 3HG1 VAL 87 3HG1 VAL 87 171.534 8.679 5.381 64 1HG2 VAL 87 1HG2 VAL 87 173.128 11.130 3.365 65 2HG2 VAL 87 2HG2 VAL 87 173.529 9.593 2.598 66 3HG2 VAL 87 3HG2 VAL 87 173.522 9.724 4.356 67 H LYS 88 H LYS 88 169.392 9.431 1.632 68 HA LYS 88 HA LYS 88 167.187 8.364 3.070 69 1HB LYS 88 2HB LYS 88 167.171 10.335 1.559 70 2HB LYS 88 1HB LYS 88 167.375 9.261 0.174 71 1HG LYS 88 2HG LYS 88 165.246 8.134 0.738 72 2HG LYS 88 1HG LYS 88 165.036 9.228 2.106 73 1HD LYS 88 2HD LYS 88 164.984 11.155 0.589 74 2HD LYS 88 1HD LYS 88 165.257 10.092 -0.793 75 1HE LYS 88 2HE LYS 88 163.096 9.274 -0.764 76 2HE LYS 88 1HE LYS 88 162.944 9.453 0.997 77 1HZ LYS 88 1HZ LYS 88 161.668 11.156 -0.186 78 2HZ LYS 88 2HZ LYS 88 163.086 11.695 -0.952 79 3HZ LYS 88 3HZ LYS 88 162.916 11.845 0.732 80 H ALA 89 H ALA 89 168.959 7.092 0.305 81 HA ALA 89 HA ALA 89 167.123 5.061 -0.522 82 1HB ALA 89 1HB ALA 89 168.975 4.278 -1.793 83 2HB ALA 89 2HB ALA 89 170.137 4.909 -0.626 84 3HB ALA 89 3HB ALA 89 169.221 6.017 -1.646 85 H PHE 90 H PHE 90 170.059 4.671 1.562 86 HA PHE 90 HA PHE 90 169.303 1.942 2.245 87 1HB PHE 90 2HB PHE 90 171.440 3.919 3.021 88 2HB PHE 90 1HB PHE 90 171.301 2.374 3.862 89 HD1 PHE 90 HD1 PHE 90 172.340 4.050 0.806 90 HD2 PHE 90 HD2 PHE 90 171.433 0.232 2.555 91 HE1 PHE 90 HE1 PHE 90 173.510 2.916 -1.062 92 HE2 PHE 90 HE2 PHE 90 172.603 -0.895 0.687 93 HZ PHE 90 HZ PHE 90 173.642 0.440 -1.119 94 H GLN 91 H GLN 91 169.709 4.885 4.243 95 HA GLN 91 HA GLN 91 168.864 3.978 6.702 96 1HB GLN 91 2HB GLN 91 168.415 6.611 5.294 97 2HB GLN 91 1HB GLN 91 168.078 6.383 7.011 98 1HG GLN 91 2HG GLN 91 170.513 5.397 7.072 99 2HG GLN 91 1HG GLN 91 170.717 6.311 5.577 100 1HE2 GLN 91 1HE2 GLN 91 171.712 6.744 8.504 101 2HE2 GLN 91 2HE2 GLN 91 171.317 8.366 8.813 102 H VAL 92 H VAL 92 166.659 4.992 4.055 103 HA VAL 92 HA VAL 92 164.255 4.999 5.552 104 HB VAL 92 HB VAL 92 164.515 5.835 3.244 105 1HG1 VAL 92 1HG1 VAL 92 165.975 3.720 2.681 106 2HG1 VAL 92 2HG1 VAL 92 165.015 4.482 1.415 107 3HG1 VAL 92 3HG1 VAL 92 164.429 3.019 2.209 108 1HG2 VAL 92 1HG2 VAL 92 162.541 3.560 3.112 109 2HG2 VAL 92 2HG2 VAL 92 162.388 5.188 2.453 110 3HG2 VAL 92 3HG2 VAL 92 162.280 4.929 4.193 111 H PHE 93 H PHE 93 166.016 2.307 4.063 112 HA PHE 93 HA PHE 93 164.031 0.256 4.557 113 1HB PHE 93 2HB PHE 93 166.000 0.172 2.970 114 2HB PHE 93 1HB PHE 93 167.056 0.024 4.375 115 HD1 PHE 93 HD1 PHE 93 167.061 -2.000 5.748 116 HD2 PHE 93 HD2 PHE 93 164.492 -1.642 2.325 117 HE1 PHE 93 HE1 PHE 93 166.629 -4.441 5.816 118 HE2 PHE 93 HE2 PHE 93 164.060 -4.083 2.393 119 HZ PHE 93 HZ PHE 93 165.129 -5.483 4.140 120 H ASP 94 H ASP 94 166.899 1.412 6.382 121 HA ASP 94 HA ASP 94 166.726 -0.460 8.537 122 1HB ASP 94 2HB ASP 94 167.967 2.197 7.981 123 2HB ASP 94 1HB ASP 94 167.892 1.686 9.668 124 H LYS 95 H LYS 95 164.339 -0.472 8.906 125 HA LYS 95 HA LYS 95 162.844 1.777 9.815 126 1HB LYS 95 2HB LYS 95 161.304 0.036 10.661 127 2HB LYS 95 1HB LYS 95 161.910 -0.386 9.061 128 1HG LYS 95 2HG LYS 95 163.759 -1.691 10.347 129 2HG LYS 95 1HG LYS 95 162.673 -1.558 11.729 130 1HD LYS 95 2HD LYS 95 160.862 -2.596 10.389 131 2HD LYS 95 1HD LYS 95 161.985 -2.776 9.040 132 1HE LYS 95 2HE LYS 95 162.891 -3.864 11.665 133 2HE LYS 95 1HE LYS 95 161.601 -4.752 10.828 134 1HZ LYS 95 1HZ LYS 95 163.767 -5.478 10.045 135 2HZ LYS 95 2HZ LYS 95 164.180 -3.884 9.630 136 3HZ LYS 95 3HZ LYS 95 162.932 -4.684 8.801 137 H GLU 96 H GLU 96 164.824 -0.588 11.648 138 HA GLU 96 HA GLU 96 164.213 0.802 14.190 139 1HB GLU 96 2HB GLU 96 165.863 -1.629 13.431 140 2HB GLU 96 1HB GLU 96 165.598 -1.091 15.089 141 1HG GLU 96 2HG GLU 96 163.038 -1.137 14.224 142 2HG GLU 96 1HG GLU 96 163.715 -2.405 13.202 143 H SER 97 H SER 97 165.994 1.919 11.860 144 HA SER 97 HA SER 97 168.060 2.953 11.572 145 1HB SER 97 2HB SER 97 166.510 4.328 13.023 146 2HB SER 97 1HB SER 97 167.420 3.756 14.416 147 HG SER 97 HG SER 97 168.063 5.629 12.527 148 H THR 98 H THR 98 168.573 0.218 12.581 149 HA THR 98 HA THR 98 170.439 0.238 14.771 150 HB THR 98 HB THR 98 171.124 -1.956 13.737 151 HG1 THR 98 HG1 THR 98 169.997 -2.544 11.837 152 1HG2 THR 98 1HG2 THR 98 169.324 -2.381 15.086 153 2HG2 THR 98 2HG2 THR 98 168.543 -2.715 13.540 154 3HG2 THR 98 3HG2 THR 98 168.325 -1.148 14.317 155 H GLY 99 H GLY 99 170.806 0.773 11.294 156 1HA GLY 99 2HA GLY 99 172.517 2.162 10.326 157 2HA GLY 99 1HA GLY 99 173.463 1.979 11.799 158 H LYS 100 H LYS 100 172.206 -1.018 10.683 159 HA LYS 100 HA LYS 100 174.766 -1.606 9.247 160 1HB LYS 100 2HB LYS 100 173.340 -3.132 11.439 161 2HB LYS 100 1HB LYS 100 174.654 -3.819 10.482 162 1HG LYS 100 2HG LYS 100 176.016 -1.751 11.162 163 2HG LYS 100 1HG LYS 100 174.757 -1.456 12.362 164 1HD LYS 100 2HD LYS 100 175.124 -3.706 13.307 165 2HD LYS 100 1HD LYS 100 176.385 -3.999 12.109 166 1HE LYS 100 2HE LYS 100 177.588 -1.948 13.015 167 2HE LYS 100 1HE LYS 100 176.415 -1.951 14.347 168 1HZ LYS 100 1HZ LYS 100 176.979 -4.299 14.739 169 2HZ LYS 100 2HZ LYS 100 178.315 -3.273 14.966 170 3HZ LYS 100 3HZ LYS 100 178.184 -4.203 13.549 171 H VAL 101 H VAL 101 174.564 -3.355 7.660 172 HA VAL 101 HA VAL 101 171.874 -4.479 7.165 173 HB VAL 101 HB VAL 101 171.926 -3.623 4.800 174 1HG1 VAL 101 1HG1 VAL 101 171.166 -1.421 5.332 175 2HG1 VAL 101 2HG1 VAL 101 172.180 -1.344 6.773 176 3HG1 VAL 101 3HG1 VAL 101 170.781 -2.417 6.736 177 1HG2 VAL 101 1HG2 VAL 101 174.083 -1.711 5.671 178 2HG2 VAL 101 2HG2 VAL 101 173.580 -2.146 4.038 179 3HG2 VAL 101 3HG2 VAL 101 174.518 -3.283 5.004 180 H SER 102 H SER 102 171.970 -6.230 5.521 181 HA SER 102 HA SER 102 174.472 -7.759 5.694 182 1HB SER 102 2HB SER 102 173.003 -9.332 4.272 183 2HB SER 102 1HB SER 102 172.427 -8.956 5.893 184 HG SER 102 HG SER 102 170.789 -7.943 5.050 185 H VAL 103 H VAL 103 175.886 -8.177 3.974 186 HA VAL 103 HA VAL 103 176.265 -6.245 1.940 187 HB VAL 103 HB VAL 103 177.958 -7.822 2.796 188 1HG1 VAL 103 1HG1 VAL 103 176.259 -9.764 2.833 189 2HG1 VAL 103 2HG1 VAL 103 177.911 -10.149 2.349 190 3HG1 VAL 103 3HG1 VAL 103 176.652 -9.971 1.126 191 1HG2 VAL 103 1HG2 VAL 103 179.134 -7.854 0.827 192 2HG2 VAL 103 2HG2 VAL 103 177.775 -6.881 0.265 193 3HG2 VAL 103 3HG2 VAL 103 177.816 -8.612 -0.066 194 H GLY 104 H GLY 104 174.541 -9.388 1.775 195 1HA GLY 104 2HA GLY 104 174.081 -9.428 -1.019 196 2HA GLY 104 1HA GLY 104 173.054 -10.217 0.175 197 H ASP 105 H ASP 105 172.210 -7.909 1.597 198 HA ASP 105 HA ASP 105 170.127 -6.929 -0.220 199 1HB ASP 105 2HB ASP 105 170.059 -7.581 2.314 200 2HB ASP 105 1HB ASP 105 170.682 -5.951 2.575 201 H LEU 106 H LEU 106 172.953 -5.587 1.462 202 HA LEU 106 HA LEU 106 172.565 -2.838 0.847 203 1HB LEU 106 2HB LEU 106 174.210 -3.823 2.446 204 2HB LEU 106 1HB LEU 106 175.148 -4.415 1.075 205 HG LEU 106 HG LEU 106 174.433 -1.506 1.188 206 1HD1 LEU 106 1HD1 LEU 106 175.377 -1.518 3.299 207 2HD1 LEU 106 2HD1 LEU 106 176.845 -1.405 2.327 208 3HD1 LEU 106 3HD1 LEU 106 176.335 -2.963 2.977 209 1HD2 LEU 106 1HD2 LEU 106 175.569 -1.932 -0.778 210 2HD2 LEU 106 2HD2 LEU 106 176.460 -3.291 -0.092 211 3HD2 LEU 106 3HD2 LEU 106 176.949 -1.637 0.280 212 H ARG 107 H ARG 107 174.475 -5.302 -0.935 213 HA ARG 107 HA ARG 107 175.225 -3.590 -3.111 214 1HB ARG 107 2HB ARG 107 176.110 -5.906 -2.356 215 2HB ARG 107 1HB ARG 107 174.761 -6.577 -3.274 216 1HG ARG 107 2HG ARG 107 175.674 -4.985 -5.180 217 2HG ARG 107 1HG ARG 107 177.179 -5.099 -4.264 218 1HD ARG 107 2HD ARG 107 177.187 -7.520 -4.449 219 2HD ARG 107 1HD ARG 107 175.578 -7.507 -5.198 220 HE ARG 107 HE ARG 107 177.568 -5.842 -6.574 221 1HH1 ARG 107 2HH1 ARG 107 178.385 -8.814 -6.495 222 2HH1 ARG 107 1HH1 ARG 107 177.723 -9.363 -7.999 223 1HH2 ARG 107 1HH2 ARG 107 175.694 -6.584 -8.426 224 2HH2 ARG 107 2HH2 ARG 107 176.200 -8.101 -9.092 225 H TYR 108 H TYR 108 172.275 -5.422 -2.493 226 HA TYR 108 HA TYR 108 171.275 -5.344 -5.198 227 1HB TYR 108 2HB TYR 108 170.516 -6.815 -3.272 228 2HB TYR 108 1HB TYR 108 169.712 -5.398 -2.594 229 HD1 TYR 108 HD1 TYR 108 169.594 -7.999 -5.141 230 HD2 TYR 108 HD2 TYR 108 167.872 -4.274 -3.869 231 HE1 TYR 108 HE1 TYR 108 167.647 -8.393 -6.626 232 HE2 TYR 108 HE2 TYR 108 165.924 -4.668 -5.354 233 HH TYR 108 HH TYR 108 164.876 -7.166 -6.385 234 H MET 109 H MET 109 170.633 -3.201 -2.383 235 HA MET 109 HA MET 109 168.871 -1.461 -3.786 236 1HB MET 109 2HB MET 109 170.521 -1.406 -1.306 237 2HB MET 109 1HB MET 109 169.880 0.136 -1.874 238 1HG MET 109 2HG MET 109 167.778 -1.791 -2.084 239 2HG MET 109 1HG MET 109 168.509 -1.980 -0.495 240 1HE MET 109 1HE MET 109 168.012 0.484 -3.088 241 2HE MET 109 2HE MET 109 168.276 1.969 -2.179 242 3HE MET 109 3HE MET 109 166.635 1.475 -2.587 243 H LEU 110 H LEU 110 172.417 -1.336 -3.316 244 HA LEU 110 HA LEU 110 172.928 1.208 -4.487 245 1HB LEU 110 2HB LEU 110 174.366 -0.945 -3.484 246 2HB LEU 110 1HB LEU 110 174.815 -0.950 -5.188 247 HG LEU 110 HG LEU 110 175.376 1.479 -5.006 248 1HD1 LEU 110 1HD1 LEU 110 175.119 2.680 -3.064 249 2HD1 LEU 110 2HD1 LEU 110 175.419 1.279 -2.035 250 3HD1 LEU 110 3HD1 LEU 110 173.840 1.500 -2.784 251 1HD2 LEU 110 1HD2 LEU 110 176.735 -0.695 -3.491 252 2HD2 LEU 110 2HD2 LEU 110 177.287 0.948 -3.167 253 3HD2 LEU 110 3HD2 LEU 110 177.345 0.307 -4.807 254 H THR 111 H THR 111 172.618 -2.001 -5.956 255 HA THR 111 HA THR 111 173.035 -1.270 -8.698 256 HB THR 111 HB THR 111 171.190 -3.400 -7.573 257 HG1 THR 111 HG1 THR 111 173.057 -4.668 -7.491 258 1HG2 THR 111 1HG2 THR 111 172.931 -3.768 -9.968 259 2HG2 THR 111 2HG2 THR 111 171.495 -2.762 -10.149 260 3HG2 THR 111 3HG2 THR 111 171.336 -4.438 -9.625 261 H GLY 112 H GLY 112 170.263 -1.009 -6.578 262 1HA GLY 112 2HA GLY 112 168.426 -0.231 -8.748 263 2HA GLY 112 1HA GLY 112 168.012 -0.378 -7.041 264 H LEU 113 H LEU 113 170.696 1.288 -6.673 265 HA LEU 113 HA LEU 113 169.307 3.889 -6.572 266 1HB LEU 113 2HB LEU 113 170.907 2.436 -4.885 267 2HB LEU 113 1HB LEU 113 172.072 3.560 -5.585 268 HG LEU 113 HG LEU 113 169.448 4.338 -4.271 269 1HD1 LEU 113 1HD1 LEU 113 172.290 4.159 -3.333 270 2HD1 LEU 113 2HD1 LEU 113 170.803 3.763 -2.473 271 3HD1 LEU 113 3HD1 LEU 113 171.267 5.449 -2.701 272 1HD2 LEU 113 1HD2 LEU 113 170.040 5.946 -5.984 273 2HD2 LEU 113 2HD2 LEU 113 171.722 5.962 -5.453 274 3HD2 LEU 113 3HD2 LEU 113 170.466 6.646 -4.421 275 H GLY 114 H GLY 114 171.057 2.452 -9.004 276 1HA GLY 114 2HA GLY 114 171.820 3.757 -10.921 277 2HA GLY 114 1HA GLY 114 172.259 5.060 -9.812 278 H GLU 115 H GLU 115 172.942 1.707 -9.217 279 HA GLU 115 HA GLU 115 175.891 2.266 -9.472 280 1HB GLU 115 2HB GLU 115 174.741 1.732 -7.200 281 2HB GLU 115 1HB GLU 115 174.661 0.080 -7.809 282 1HG GLU 115 2HG GLU 115 177.300 1.309 -8.198 283 2HG GLU 115 1HG GLU 115 176.833 1.204 -6.502 284 H LYS 116 H LYS 116 176.784 1.208 -11.208 285 HA LYS 116 HA LYS 116 175.645 -1.451 -11.918 286 1HB LYS 116 2HB LYS 116 176.626 0.803 -13.713 287 2HB LYS 116 1HB LYS 116 176.292 -0.821 -14.314 288 1HG LYS 116 2HG LYS 116 173.964 -0.641 -13.514 289 2HG LYS 116 1HG LYS 116 174.296 0.985 -12.916 290 1HD LYS 116 2HD LYS 116 174.845 1.721 -15.207 291 2HD LYS 116 1HD LYS 116 174.510 0.096 -15.808 292 1HE LYS 116 2HE LYS 116 172.172 0.269 -15.108 293 2HE LYS 116 1HE LYS 116 172.485 1.856 -14.378 294 1HZ LYS 116 1HZ LYS 116 173.180 2.694 -16.516 295 2HZ LYS 116 2HZ LYS 116 171.615 2.048 -16.652 296 3HZ LYS 116 3HZ LYS 116 172.951 1.174 -17.234 297 H LEU 117 H LEU 117 177.419 -1.694 -10.160 298 HA LEU 117 HA LEU 117 180.159 -1.896 -11.280 299 1HB LEU 117 2HB LEU 117 178.939 -2.517 -8.561 300 2HB LEU 117 1HB LEU 117 180.663 -2.508 -8.928 301 HG LEU 117 HG LEU 117 178.834 -0.111 -9.244 302 1HD1 LEU 117 1HD1 LEU 117 181.011 -0.286 -7.196 303 2HD1 LEU 117 2HD1 LEU 117 179.480 -1.097 -6.859 304 3HD1 LEU 117 3HD1 LEU 117 179.510 0.640 -7.159 305 1HD2 LEU 117 1HD2 LEU 117 180.583 0.397 -10.654 306 2HD2 LEU 117 2HD2 LEU 117 181.697 -0.700 -9.838 307 3HD2 LEU 117 3HD2 LEU 117 181.338 0.878 -9.135 308 H THR 118 H THR 118 181.165 -3.992 -11.519 309 HA THR 118 HA THR 118 179.222 -6.272 -11.622 310 HB THR 118 HB THR 118 181.855 -5.981 -13.064 311 HG1 THR 118 HG1 THR 118 179.255 -5.211 -13.877 312 1HG2 THR 118 1HG2 THR 118 180.883 -7.638 -14.575 313 2HG2 THR 118 2HG2 THR 118 179.372 -7.604 -13.665 314 3HG2 THR 118 3HG2 THR 118 180.837 -8.241 -12.919 315 H ASP 119 H ASP 119 179.782 -8.194 -10.468 316 HA ASP 119 HA ASP 119 181.237 -8.283 -8.184 317 1HB ASP 119 2HB ASP 119 179.839 -10.065 -9.279 318 2HB ASP 119 1HB ASP 119 181.249 -10.497 -10.247 319 H ALA 120 H ALA 120 182.705 -8.380 -11.400 320 HA ALA 120 HA ALA 120 185.352 -9.286 -10.700 321 1HB ALA 120 1HB ALA 120 185.931 -8.263 -12.827 322 2HB ALA 120 2HB ALA 120 184.487 -7.252 -12.781 323 3HB ALA 120 3HB ALA 120 184.336 -8.996 -12.993 324 H GLU 121 H GLU 121 184.032 -5.972 -11.076 325 HA GLU 121 HA GLU 121 186.385 -4.710 -9.894 326 1HB GLU 121 2HB GLU 121 183.632 -3.852 -10.793 327 2HB GLU 121 1HB GLU 121 184.737 -2.717 -10.022 328 1HG GLU 121 2HG GLU 121 185.162 -2.461 -12.338 329 2HG GLU 121 1HG GLU 121 186.469 -3.498 -11.767 330 H VAL 122 H VAL 122 183.054 -5.403 -8.824 331 HA VAL 122 HA VAL 122 183.168 -4.131 -6.253 332 HB VAL 122 HB VAL 122 181.633 -6.598 -7.154 333 1HG1 VAL 122 1HG1 VAL 122 181.285 -4.632 -4.876 334 2HG1 VAL 122 2HG1 VAL 122 181.419 -6.389 -4.784 335 3HG1 VAL 122 3HG1 VAL 122 179.962 -5.649 -5.449 336 1HG2 VAL 122 1HG2 VAL 122 180.399 -3.884 -7.096 337 2HG2 VAL 122 2HG2 VAL 122 180.108 -5.228 -8.201 338 3HG2 VAL 122 3HG2 VAL 122 181.530 -4.207 -8.408 339 H ASP 123 H ASP 123 184.172 -7.388 -7.298 340 HA ASP 123 HA ASP 123 184.645 -8.440 -4.668 341 1HB ASP 123 2HB ASP 123 184.508 -9.794 -6.738 342 2HB ASP 123 1HB ASP 123 185.984 -9.037 -7.336 343 H GLU 124 H GLU 124 186.687 -6.604 -6.922 344 HA GLU 124 HA GLU 124 189.166 -6.672 -5.484 345 1HB GLU 124 2HB GLU 124 187.837 -4.635 -7.291 346 2HB GLU 124 1HB GLU 124 189.512 -4.508 -6.758 347 1HG GLU 124 2HG GLU 124 188.366 -6.902 -8.224 348 2HG GLU 124 1HG GLU 124 189.274 -5.604 -8.999 349 H LEU 125 H LEU 125 186.476 -4.323 -5.381 350 HA LEU 125 HA LEU 125 187.548 -2.566 -3.408 351 1HB LEU 125 2HB LEU 125 184.745 -3.325 -4.256 352 2HB LEU 125 1HB LEU 125 185.090 -1.986 -3.165 353 HG LEU 125 HG LEU 125 186.287 -2.272 -5.933 354 1HD1 LEU 125 1HD1 LEU 125 183.989 -1.854 -6.311 355 2HD1 LEU 125 2HD1 LEU 125 184.727 -0.253 -6.349 356 3HD1 LEU 125 3HD1 LEU 125 183.865 -0.792 -4.909 357 1HD2 LEU 125 1HD2 LEU 125 186.581 0.299 -5.371 358 2HD2 LEU 125 2HD2 LEU 125 187.745 -0.880 -4.767 359 3HD2 LEU 125 3HD2 LEU 125 186.477 -0.271 -3.705 360 H LEU 126 H LEU 126 185.486 -5.442 -3.145 361 HA LEU 126 HA LEU 126 184.948 -5.282 -0.331 362 1HB LEU 126 2HB LEU 126 184.922 -7.494 -2.389 363 2HB LEU 126 1HB LEU 126 184.382 -7.747 -0.728 364 HG LEU 126 HG LEU 126 183.296 -5.518 -2.460 365 1HD1 LEU 126 1HD1 LEU 126 181.293 -7.084 -2.695 366 2HD1 LEU 126 2HD1 LEU 126 182.358 -8.378 -2.145 367 3HD1 LEU 126 3HD1 LEU 126 182.717 -7.517 -3.642 368 1HD2 LEU 126 1HD2 LEU 126 182.612 -6.782 0.185 369 2HD2 LEU 126 2HD2 LEU 126 181.351 -5.992 -0.761 370 3HD2 LEU 126 3HD2 LEU 126 182.756 -5.072 -0.222 371 H LYS 127 H LYS 127 187.802 -6.293 -2.034 372 HA LYS 127 HA LYS 127 188.845 -8.312 -0.404 373 1HB LYS 127 2HB LYS 127 190.028 -6.083 -2.030 374 2HB LYS 127 1HB LYS 127 191.084 -7.187 -1.151 375 1HG LYS 127 2HG LYS 127 189.842 -9.100 -2.253 376 2HG LYS 127 1HG LYS 127 189.045 -7.902 -3.271 377 1HD LYS 127 2HD LYS 127 191.082 -7.244 -4.289 378 2HD LYS 127 1HD LYS 127 192.052 -8.029 -3.042 379 1HE LYS 127 2HE LYS 127 191.057 -10.246 -3.820 380 2HE LYS 127 1HE LYS 127 190.419 -9.361 -5.220 381 1HZ LYS 127 1HZ LYS 127 192.640 -8.561 -5.700 382 2HZ LYS 127 2HZ LYS 127 192.636 -10.259 -5.666 383 3HZ LYS 127 3HZ LYS 127 193.262 -9.382 -4.353 384 H GLY 128 H GLY 128 188.383 -4.949 0.435 385 1HA GLY 128 2HA GLY 128 190.193 -5.279 2.788 386 2HA GLY 128 1HA GLY 128 189.829 -3.725 2.046 387 H VAL 129 H VAL 129 186.883 -5.048 1.899 388 HA VAL 129 HA VAL 129 185.918 -3.617 4.233 389 HB VAL 129 HB VAL 129 184.739 -3.969 2.007 390 1HG1 VAL 129 1HG1 VAL 129 184.095 -6.026 1.289 391 2HG1 VAL 129 2HG1 VAL 129 183.582 -6.529 2.898 392 3HG1 VAL 129 3HG1 VAL 129 185.280 -6.635 2.441 393 1HG2 VAL 129 1HG2 VAL 129 182.539 -4.066 3.005 394 2HG2 VAL 129 2HG2 VAL 129 183.605 -3.235 4.137 395 3HG2 VAL 129 3HG2 VAL 129 183.164 -4.921 4.416 396 H GLU 130 H GLU 130 185.555 -4.300 6.221 397 HA GLU 130 HA GLU 130 186.160 -7.143 6.934 398 1HB GLU 130 2HB GLU 130 187.293 -5.017 7.880 399 2HB GLU 130 1HB GLU 130 185.789 -4.781 8.770 400 1HG GLU 130 2HG GLU 130 186.036 -6.828 9.950 401 2HG GLU 130 1HG GLU 130 187.281 -7.406 8.842 402 H VAL 131 H VAL 131 184.216 -8.233 6.639 403 HA VAL 131 HA VAL 131 181.669 -7.190 7.712 404 HB VAL 131 HB VAL 131 181.805 -8.490 5.609 405 1HG1 VAL 131 1HG1 VAL 131 183.097 -10.517 7.425 406 2HG1 VAL 131 2HG1 VAL 131 183.621 -9.959 5.837 407 3HG1 VAL 131 3HG1 VAL 131 182.236 -11.039 5.979 408 1HG2 VAL 131 1HG2 VAL 131 179.754 -8.644 6.932 409 2HG2 VAL 131 2HG2 VAL 131 180.444 -9.964 7.876 410 3HG2 VAL 131 3HG2 VAL 131 180.091 -10.195 6.164 411 H ASP 132 H ASP 132 180.491 -8.398 9.408 412 HA ASP 132 HA ASP 132 182.353 -9.384 11.499 413 1HB ASP 132 2HB ASP 132 179.421 -8.609 11.480 414 2HB ASP 132 1HB ASP 132 180.330 -9.049 12.926 415 H SER 133 H SER 133 181.167 -11.092 12.970 416 HA SER 133 HA SER 133 181.018 -13.571 11.495 417 1HB SER 133 2HB SER 133 180.128 -13.016 14.332 418 2HB SER 133 1HB SER 133 180.759 -14.524 13.681 419 HG SER 133 HG SER 133 182.752 -13.564 13.449 420 H ASN 134 H ASN 134 178.620 -11.206 11.771 421 HA ASN 134 HA ASN 134 176.405 -13.219 11.719 422 1HB ASN 134 2HB ASN 134 176.433 -11.355 13.432 423 2HB ASN 134 1HB ASN 134 176.317 -10.209 12.096 424 1HD2 ASN 134 1HD2 ASN 134 174.531 -12.603 13.965 425 2HD2 ASN 134 2HD2 ASN 134 173.019 -12.302 13.253 426 H GLY 135 H GLY 135 178.270 -11.166 9.699 427 1HA GLY 135 2HA GLY 135 178.086 -11.110 7.316 428 2HA GLY 135 1HA GLY 135 176.438 -11.724 7.453 429 H GLU 136 H GLU 136 177.568 -9.039 9.391 430 HA GLU 136 HA GLU 136 175.666 -7.257 7.912 431 1HB GLU 136 2HB GLU 136 176.682 -7.361 10.764 432 2HB GLU 136 1HB GLU 136 175.710 -6.027 10.142 433 1HG GLU 136 2HG GLU 136 173.915 -7.610 9.541 434 2HG GLU 136 1HG GLU 136 174.883 -8.945 10.166 435 H ILE 137 H ILE 137 176.397 -5.418 7.025 436 HA ILE 137 HA ILE 137 179.198 -4.514 7.600 437 HB ILE 137 HB ILE 137 177.668 -4.769 4.984 438 1HG1 ILE 137 2HG1 ILE 137 180.009 -6.006 4.573 439 2HG1 ILE 137 1HG1 ILE 137 179.925 -6.196 6.323 440 1HG2 ILE 137 1HG2 ILE 137 179.804 -3.888 3.952 441 2HG2 ILE 137 2HG2 ILE 137 180.324 -3.425 5.572 442 3HG2 ILE 137 3HG2 ILE 137 178.891 -2.684 4.861 443 1HD1 ILE 137 1HD1 ILE 137 178.143 -7.626 6.219 444 2HD1 ILE 137 2HD1 ILE 137 178.768 -7.930 4.600 445 3HD1 ILE 137 3HD1 ILE 137 177.431 -6.802 4.831 446 H ASP 138 H ASP 138 179.426 -2.109 6.938 447 HA ASP 138 HA ASP 138 177.024 -0.654 7.917 448 1HB ASP 138 2HB ASP 138 179.302 -0.404 8.940 449 2HB ASP 138 1HB ASP 138 179.866 0.282 7.416 450 H TYR 139 H TYR 139 175.680 0.086 6.304 451 HA TYR 139 HA TYR 139 176.426 0.334 3.539 452 1HB TYR 139 2HB TYR 139 174.170 1.251 3.314 453 2HB TYR 139 1HB TYR 139 174.164 -0.146 4.382 454 HD1 TYR 139 HD1 TYR 139 173.989 3.555 4.247 455 HD2 TYR 139 HD2 TYR 139 173.595 0.061 6.713 456 HE1 TYR 139 HE1 TYR 139 172.926 4.925 6.021 457 HE2 TYR 139 HE2 TYR 139 172.539 1.431 8.485 458 HH TYR 139 HH TYR 139 171.126 3.903 8.301 459 H LYS 140 H LYS 140 176.175 2.743 6.165 460 HA LYS 140 HA LYS 140 176.423 5.051 4.483 461 1HB LYS 140 2HB LYS 140 176.186 4.377 7.265 462 2HB LYS 140 1HB LYS 140 177.498 5.540 7.095 463 1HG LYS 140 2HG LYS 140 175.988 7.012 5.776 464 2HG LYS 140 1HG LYS 140 174.676 5.865 6.044 465 1HD LYS 140 2HD LYS 140 174.734 6.226 8.420 466 2HD LYS 140 1HD LYS 140 176.226 7.158 8.298 467 1HE LYS 140 2HE LYS 140 174.633 8.576 6.598 468 2HE LYS 140 1HE LYS 140 173.437 8.010 7.782 469 1HZ LYS 140 1HZ LYS 140 175.989 9.418 8.355 470 2HZ LYS 140 2HZ LYS 140 175.007 8.710 9.547 471 3HZ LYS 140 3HZ LYS 140 174.421 10.008 8.621 472 H LYS 141 H LYS 141 178.799 3.092 6.244 473 HA LYS 141 HA LYS 141 181.090 4.750 5.727 474 1HB LYS 141 2HB LYS 141 180.615 1.872 6.483 475 2HB LYS 141 1HB LYS 141 182.251 2.480 6.232 476 1HG LYS 141 2HG LYS 141 181.517 4.409 7.832 477 2HG LYS 141 1HG LYS 141 180.237 3.295 8.314 478 1HD LYS 141 2HD LYS 141 181.780 1.678 9.097 479 2HD LYS 141 1HD LYS 141 183.128 2.433 8.247 480 1HE LYS 141 2HE LYS 141 182.234 4.493 9.872 481 2HE LYS 141 1HE LYS 141 182.027 3.060 10.899 482 1HZ LYS 141 1HZ LYS 141 184.284 3.847 11.083 483 2HZ LYS 141 2HZ LYS 141 184.478 3.815 9.396 484 3HZ LYS 141 3HZ LYS 141 184.282 2.365 10.259 485 H PHE 142 H PHE 142 179.805 1.886 4.010 486 HA PHE 142 HA PHE 142 181.945 1.800 2.096 487 1HB PHE 142 2HB PHE 142 180.388 -0.075 2.772 488 2HB PHE 142 1HB PHE 142 179.116 0.722 1.846 489 HD1 PHE 142 HD1 PHE 142 178.730 -0.405 -0.157 490 HD2 PHE 142 HD2 PHE 142 182.771 0.106 1.212 491 HE1 PHE 142 HE1 PHE 142 179.574 -1.486 -2.232 492 HE2 PHE 142 HE2 PHE 142 183.610 -0.968 -0.858 493 HZ PHE 142 HZ PHE 142 182.012 -1.763 -2.579 494 H ILE 143 H ILE 143 178.920 3.574 2.257 495 HA ILE 143 HA ILE 143 178.885 4.354 -0.581 496 HB ILE 143 HB ILE 143 177.440 5.144 1.969 497 1HG1 ILE 143 2HG1 ILE 143 177.011 2.882 0.959 498 2HG1 ILE 143 1HG1 ILE 143 175.582 3.906 1.049 499 1HG2 ILE 143 1HG2 ILE 143 176.803 6.087 -0.840 500 2HG2 ILE 143 2HG2 ILE 143 177.538 7.085 0.415 501 3HG2 ILE 143 3HG2 ILE 143 175.899 6.471 0.625 502 1HD1 ILE 143 1HD1 ILE 143 176.650 2.639 -1.246 503 2HD1 ILE 143 2HD1 ILE 143 176.942 4.365 -1.456 504 3HD1 ILE 143 3HD1 ILE 143 175.303 3.776 -1.179 505 H GLU 144 H GLU 144 179.620 6.011 2.516 506 HA GLU 144 HA GLU 144 180.426 8.511 1.391 507 1HB GLU 144 2HB GLU 144 181.201 6.989 3.895 508 2HB GLU 144 1HB GLU 144 181.677 8.662 3.602 509 1HG GLU 144 2HG GLU 144 179.302 9.304 3.390 510 2HG GLU 144 1HG GLU 144 178.825 7.634 3.690 511 H ASP 145 H ASP 145 182.146 5.442 1.666 512 HA ASP 145 HA ASP 145 184.709 6.713 0.926 513 1HB ASP 145 2HB ASP 145 184.352 4.752 2.582 514 2HB ASP 145 1HB ASP 145 184.091 3.755 1.151 515 H VAL 146 H VAL 146 181.994 5.471 -0.736 516 HA VAL 146 HA VAL 146 183.594 4.839 -3.172 517 HB VAL 146 HB VAL 146 180.682 4.529 -2.353 518 1HG1 VAL 146 1HG1 VAL 146 180.331 3.405 -4.530 519 2HG1 VAL 146 2HG1 VAL 146 181.977 3.822 -5.009 520 3HG1 VAL 146 3HG1 VAL 146 180.782 5.095 -4.759 521 1HG2 VAL 146 1HG2 VAL 146 182.722 2.961 -1.675 522 2HG2 VAL 146 2HG2 VAL 146 182.465 2.321 -3.299 523 3HG2 VAL 146 3HG2 VAL 146 181.158 2.275 -2.116 524 H LEU 147 H LEU 147 181.150 7.029 -1.873 525 HA LEU 147 HA LEU 147 180.629 8.660 -4.172 526 1HB LEU 147 2HB LEU 147 180.499 8.935 -1.187 527 2HB LEU 147 1HB LEU 147 180.242 10.365 -2.189 528 HG LEU 147 HG LEU 147 178.768 7.788 -2.727 529 1HD1 LEU 147 1HD1 LEU 147 178.508 8.846 -0.320 530 2HD1 LEU 147 2HD1 LEU 147 177.080 8.332 -1.219 531 3HD1 LEU 147 3HD1 LEU 147 177.529 10.037 -1.176 532 1HD2 LEU 147 1HD2 LEU 147 178.816 9.560 -4.470 533 2HD2 LEU 147 2HD2 LEU 147 178.154 10.705 -3.304 534 3HD2 LEU 147 3HD2 LEU 147 177.191 9.323 -3.825 535 H ARG 148 H ARG 148 183.416 8.522 -2.084 536 HA ARG 148 HA ARG 148 184.494 11.126 -2.394 537 1HB ARG 148 2HB ARG 148 185.553 8.356 -1.948 538 2HB ARG 148 1HB ARG 148 186.701 9.667 -2.231 539 1HG ARG 148 2HG ARG 148 184.487 9.896 -0.186 540 2HG ARG 148 1HG ARG 148 186.064 9.214 0.215 541 1HD ARG 148 2HD ARG 148 187.186 11.282 -0.420 542 2HD ARG 148 1HD ARG 148 185.656 11.969 -1.001 543 HE ARG 148 HE ARG 148 184.875 12.084 1.288 544 1HH1 ARG 148 1HH2 ARG 148 188.057 12.623 1.127 545 2HH1 ARG 148 2HH2 ARG 148 188.484 12.000 2.685 546 1HH2 ARG 148 2HH1 ARG 148 185.409 10.488 3.216 547 2HH2 ARG 148 1HH1 ARG 148 186.984 10.792 3.869 548 H GLN 149 HN GLN 149 185.708 12.091 -4.041 549 HA GLN 149 HA GLN 149 185.392 11.211 -6.755 550 1HB GLN 149 2HB GLN 149 187.226 13.193 -5.374 551 2HB GLN 149 1HB GLN 149 187.125 13.042 -7.129 552 1HG GLN 149 2HG GLN 149 184.791 13.637 -7.124 553 2HG GLN 149 1HG GLN 149 184.717 13.548 -5.363 554 1HE2 GLN 149 1HE2 GLN 149 185.496 15.362 -4.147 555 2HE2 GLN 149 2HE2 GLN 149 186.023 16.799 -4.879 Start of MODEL 19 1 1H LYS 80 H LYS 80 178.224 15.887 -7.357 2 HA LYS 80 HA LYS 80 176.623 17.187 -9.495 3 1HB LYS 80 2HB LYS 80 177.604 14.320 -9.467 4 2HB LYS 80 1HB LYS 80 176.287 14.871 -10.502 5 1HG LYS 80 2HG LYS 80 177.788 16.555 -11.513 6 2HG LYS 80 1HG LYS 80 179.108 15.988 -10.489 7 1HD LYS 80 2HD LYS 80 177.609 14.126 -12.338 8 2HD LYS 80 1HD LYS 80 179.017 15.040 -12.876 9 1HE LYS 80 2HE LYS 80 180.226 14.053 -10.812 10 2HE LYS 80 1HE LYS 80 178.883 12.896 -10.750 11 1HZ LYS 80 1HZ LYS 80 180.543 11.979 -12.170 12 2HZ LYS 80 2HZ LYS 80 180.691 13.429 -13.044 13 3HZ LYS 80 3HZ LYS 80 179.271 12.503 -13.163 14 H ALA 81 H ALA 81 176.724 14.302 -7.407 15 HA ALA 81 HA ALA 81 173.846 14.722 -6.651 16 1HB ALA 81 1HB ALA 81 174.112 12.281 -6.010 17 2HB ALA 81 2HB ALA 81 175.723 12.348 -6.725 18 3HB ALA 81 3HB ALA 81 174.300 12.620 -7.730 19 H LYS 82 H LYS 82 173.321 14.340 -4.343 20 HA LYS 82 HA LYS 82 175.606 15.061 -2.534 21 1HB LYS 82 2HB LYS 82 172.599 15.439 -2.358 22 2HB LYS 82 1HB LYS 82 173.746 15.942 -1.115 23 1HG LYS 82 2HG LYS 82 174.880 17.405 -2.747 24 2HG LYS 82 1HG LYS 82 173.732 16.906 -3.991 25 1HD LYS 82 2HD LYS 82 172.702 18.847 -3.262 26 2HD LYS 82 1HD LYS 82 171.956 17.680 -2.169 27 1HE LYS 82 2HE LYS 82 173.373 18.294 -0.362 28 2HE LYS 82 1HE LYS 82 174.515 19.125 -1.437 29 1HZ LYS 82 1HZ LYS 82 172.639 20.609 -2.078 30 2HZ LYS 82 2HZ LYS 82 173.128 20.779 -0.460 31 3HZ LYS 82 3HZ LYS 82 171.716 19.913 -0.837 32 H THR 83 H THR 83 175.608 14.140 -0.446 33 HA THR 83 HA THR 83 175.505 11.328 -0.265 34 HB THR 83 HB THR 83 174.955 13.189 2.060 35 HG1 THR 83 HG1 THR 83 176.735 14.158 1.589 36 1HG2 THR 83 1HG2 THR 83 175.782 11.515 3.369 37 2HG2 THR 83 2HG2 THR 83 176.991 11.043 2.174 38 3HG2 THR 83 3HG2 THR 83 175.322 10.495 2.006 39 H GLU 84 H GLU 84 172.974 13.692 0.264 40 HA GLU 84 HA GLU 84 170.964 12.285 1.609 41 1HB GLU 84 2HB GLU 84 170.905 14.224 -0.726 42 2HB GLU 84 1HB GLU 84 169.452 13.759 0.172 43 1HG GLU 84 2HG GLU 84 170.414 14.608 2.250 44 2HG GLU 84 1HG GLU 84 171.929 14.980 1.426 45 H ASP 85 H ASP 85 171.853 12.057 -1.822 46 HA ASP 85 HA ASP 85 169.669 10.506 -2.790 47 1HB ASP 85 2HB ASP 85 171.729 11.633 -3.943 48 2HB ASP 85 1HB ASP 85 172.530 10.091 -3.645 49 H PHE 86 H PHE 86 172.848 9.338 -1.622 50 HA PHE 86 HA PHE 86 171.987 6.550 -1.585 51 1HB PHE 86 2HB PHE 86 174.397 8.169 -0.867 52 2HB PHE 86 1HB PHE 86 174.270 6.541 -0.203 53 HD1 PHE 86 HD1 PHE 86 175.840 8.171 -2.701 54 HD2 PHE 86 HD2 PHE 86 173.047 4.933 -2.244 55 HE1 PHE 86 HE1 PHE 86 176.575 7.225 -4.874 56 HE2 PHE 86 HE2 PHE 86 173.787 3.991 -4.415 57 HZ PHE 86 HZ PHE 86 175.549 5.137 -5.729 58 H VAL 87 H VAL 87 172.415 9.082 0.925 59 HA VAL 87 HA VAL 87 172.139 7.474 3.216 60 HB VAL 87 HB VAL 87 171.158 10.291 2.644 61 1HG1 VAL 87 1HG1 VAL 87 170.143 9.537 4.705 62 2HG1 VAL 87 2HG1 VAL 87 171.498 10.583 5.131 63 3HG1 VAL 87 3HG1 VAL 87 171.663 8.832 5.253 64 1HG2 VAL 87 1HG2 VAL 87 173.654 9.707 4.159 65 2HG2 VAL 87 2HG2 VAL 87 173.312 11.001 3.011 66 3HG2 VAL 87 3HG2 VAL 87 173.693 9.381 2.426 67 H LYS 88 H LYS 88 169.561 9.213 1.434 68 HA LYS 88 HA LYS 88 167.329 8.288 2.941 69 1HB LYS 88 2HB LYS 88 167.517 10.145 1.191 70 2HB LYS 88 1HB LYS 88 167.387 8.877 -0.030 71 1HG LYS 88 2HG LYS 88 165.211 8.224 0.770 72 2HG LYS 88 1HG LYS 88 165.358 9.268 2.184 73 1HD LYS 88 2HD LYS 88 165.555 11.228 0.580 74 2HD LYS 88 1HD LYS 88 165.098 10.115 -0.710 75 1HE LYS 88 2HE LYS 88 163.345 10.053 1.685 76 2HE LYS 88 1HE LYS 88 163.271 11.538 0.714 77 1HZ LYS 88 1HZ LYS 88 163.035 10.169 -1.276 78 2HZ LYS 88 2HZ LYS 88 161.769 9.873 -0.181 79 3HZ LYS 88 3HZ LYS 88 163.046 8.762 -0.328 80 H ALA 89 H ALA 89 169.110 6.817 0.285 81 HA ALA 89 HA ALA 89 167.285 4.767 -0.486 82 1HB ALA 89 1HB ALA 89 169.536 5.599 -1.477 83 2HB ALA 89 2HB ALA 89 169.163 3.880 -1.606 84 3HB ALA 89 3HB ALA 89 170.279 4.448 -0.365 85 H PHE 90 H PHE 90 170.072 4.422 1.775 86 HA PHE 90 HA PHE 90 169.197 1.778 2.584 87 1HB PHE 90 2HB PHE 90 171.302 3.751 3.474 88 2HB PHE 90 1HB PHE 90 171.093 2.200 4.288 89 HD1 PHE 90 HD1 PHE 90 171.926 3.830 1.060 90 HD2 PHE 90 HD2 PHE 90 171.737 0.137 3.246 91 HE1 PHE 90 HE1 PHE 90 173.229 2.708 -0.725 92 HE2 PHE 90 HE2 PHE 90 173.039 -0.982 1.463 93 HZ PHE 90 HZ PHE 90 173.787 0.299 -0.525 94 H GLN 91 H GLN 91 169.447 4.867 4.387 95 HA GLN 91 HA GLN 91 168.444 4.118 6.849 96 1HB GLN 91 2HB GLN 91 168.284 6.600 5.182 97 2HB GLN 91 1HB GLN 91 167.439 6.564 6.728 98 1HG GLN 91 2HG GLN 91 169.706 5.629 7.651 99 2HG GLN 91 1HG GLN 91 170.386 6.337 6.185 100 1HE2 GLN 91 1HE2 GLN 91 168.845 7.093 9.273 101 2HE2 GLN 91 2HE2 GLN 91 169.108 8.769 9.200 102 H VAL 92 H VAL 92 166.371 4.932 4.008 103 HA VAL 92 HA VAL 92 163.901 4.880 5.406 104 HB VAL 92 HB VAL 92 164.649 4.158 2.548 105 1HG1 VAL 92 1HG1 VAL 92 162.415 3.223 3.221 106 2HG1 VAL 92 2HG1 VAL 92 162.305 4.457 1.967 107 3HG1 VAL 92 3HG1 VAL 92 161.903 4.858 3.637 108 1HG2 VAL 92 1HG2 VAL 92 163.270 6.667 3.467 109 2HG2 VAL 92 2HG2 VAL 92 164.285 6.413 2.047 110 3HG2 VAL 92 3HG2 VAL 92 165.018 6.518 3.648 111 H PHE 93 H PHE 93 165.816 2.237 3.994 112 HA PHE 93 HA PHE 93 163.877 0.130 4.475 113 1HB PHE 93 2HB PHE 93 165.897 0.145 2.910 114 2HB PHE 93 1HB PHE 93 166.902 -0.070 4.344 115 HD1 PHE 93 HD1 PHE 93 167.478 -2.254 4.897 116 HD2 PHE 93 HD2 PHE 93 163.761 -1.521 2.876 117 HE1 PHE 93 HE1 PHE 93 167.022 -4.691 4.853 118 HE2 PHE 93 HE2 PHE 93 163.304 -3.958 2.831 119 HZ PHE 93 HZ PHE 93 164.934 -5.543 3.820 120 H ASP 94 H ASP 94 166.754 1.311 6.283 121 HA ASP 94 HA ASP 94 166.588 -0.523 8.472 122 1HB ASP 94 2HB ASP 94 167.705 2.246 8.041 123 2HB ASP 94 1HB ASP 94 167.842 1.452 9.610 124 H LYS 95 H LYS 95 164.225 -0.574 8.870 125 HA LYS 95 HA LYS 95 162.688 1.666 9.747 126 1HB LYS 95 2HB LYS 95 162.503 -1.284 10.449 127 2HB LYS 95 1HB LYS 95 161.204 -0.108 10.649 128 1HG LYS 95 2HG LYS 95 161.593 0.380 8.111 129 2HG LYS 95 1HG LYS 95 162.390 -1.194 8.107 130 1HD LYS 95 2HD LYS 95 160.393 -2.282 8.934 131 2HD LYS 95 1HD LYS 95 159.589 -0.729 9.165 132 1HE LYS 95 2HE LYS 95 160.624 -1.232 6.424 133 2HE LYS 95 1HE LYS 95 159.242 -2.224 6.929 134 1HZ LYS 95 1HZ LYS 95 158.385 -0.183 6.078 135 2HZ LYS 95 2HZ LYS 95 159.457 0.738 7.022 136 3HZ LYS 95 3HZ LYS 95 158.204 -0.139 7.764 137 H GLU 96 H GLU 96 164.672 -0.685 11.618 138 HA GLU 96 HA GLU 96 164.051 0.737 14.135 139 1HB GLU 96 2HB GLU 96 165.715 -1.695 13.411 140 2HB GLU 96 1HB GLU 96 165.429 -1.146 15.063 141 1HG GLU 96 2HG GLU 96 163.111 -1.646 13.208 142 2HG GLU 96 1HG GLU 96 163.865 -2.985 14.073 143 H SER 97 H SER 97 165.868 1.805 11.792 144 HA SER 97 HA SER 97 167.936 2.845 11.520 145 1HB SER 97 2HB SER 97 168.044 4.659 13.079 146 2HB SER 97 1HB SER 97 166.342 4.231 12.918 147 HG SER 97 HG SER 97 166.395 3.260 14.869 148 H THR 98 H THR 98 168.454 0.132 12.583 149 HA THR 98 HA THR 98 170.267 0.206 14.815 150 HB THR 98 HB THR 98 170.948 -2.007 13.947 151 HG1 THR 98 HG1 THR 98 169.361 -1.387 11.687 152 1HG2 THR 98 1HG2 THR 98 168.929 -3.010 14.376 153 2HG2 THR 98 2HG2 THR 98 168.052 -1.957 13.266 154 3HG2 THR 98 3HG2 THR 98 168.505 -1.370 14.866 155 H GLY 99 H GLY 99 170.711 0.688 11.341 156 1HA GLY 99 2HA GLY 99 172.423 2.117 10.420 157 2HA GLY 99 1HA GLY 99 173.351 1.918 11.901 158 H LYS 100 H LYS 100 172.117 -1.066 10.719 159 HA LYS 100 HA LYS 100 174.703 -1.624 9.315 160 1HB LYS 100 2HB LYS 100 173.246 -3.187 11.464 161 2HB LYS 100 1HB LYS 100 174.576 -3.858 10.519 162 1HG LYS 100 2HG LYS 100 174.795 -1.283 12.098 163 2HG LYS 100 1HG LYS 100 175.263 -2.856 12.741 164 1HD LYS 100 2HD LYS 100 176.718 -3.084 10.621 165 2HD LYS 100 1HD LYS 100 176.473 -1.348 10.424 166 1HE LYS 100 2HE LYS 100 178.491 -1.516 11.682 167 2HE LYS 100 1HE LYS 100 177.252 -1.175 12.907 168 1HZ LYS 100 1HZ LYS 100 178.002 -3.924 12.079 169 2HZ LYS 100 2HZ LYS 100 177.047 -3.465 13.407 170 3HZ LYS 100 3HZ LYS 100 178.714 -3.137 13.402 171 H VAL 101 H VAL 101 174.533 -3.359 7.704 172 HA VAL 101 HA VAL 101 171.856 -4.483 7.154 173 HB VAL 101 HB VAL 101 171.937 -3.603 4.799 174 1HG1 VAL 101 1HG1 VAL 101 172.197 -1.317 6.760 175 2HG1 VAL 101 2HG1 VAL 101 170.803 -2.397 6.763 176 3HG1 VAL 101 3HG1 VAL 101 171.158 -1.421 5.338 177 1HG2 VAL 101 1HG2 VAL 101 174.213 -1.874 5.812 178 2HG2 VAL 101 2HG2 VAL 101 173.569 -1.943 4.172 179 3HG2 VAL 101 3HG2 VAL 101 174.458 -3.317 4.828 180 H SER 102 H SER 102 171.982 -6.218 5.490 181 HA SER 102 HA SER 102 174.501 -7.732 5.681 182 1HB SER 102 2HB SER 102 173.038 -9.341 4.313 183 2HB SER 102 1HB SER 102 172.456 -8.928 5.923 184 HG SER 102 HG SER 102 171.291 -8.524 3.549 185 H VAL 103 H VAL 103 175.878 -8.188 3.920 186 HA VAL 103 HA VAL 103 176.224 -6.275 1.858 187 HB VAL 103 HB VAL 103 177.927 -7.860 2.682 188 1HG1 VAL 103 1HG1 VAL 103 176.151 -9.774 2.741 189 2HG1 VAL 103 2HG1 VAL 103 177.822 -10.179 2.345 190 3HG1 VAL 103 3HG1 VAL 103 176.621 -10.034 1.061 191 1HG2 VAL 103 1HG2 VAL 103 178.160 -6.856 0.415 192 2HG2 VAL 103 2HG2 VAL 103 177.342 -8.262 -0.268 193 3HG2 VAL 103 3HG2 VAL 103 178.911 -8.449 0.518 194 H GLY 104 H GLY 104 174.439 -9.384 1.784 195 1HA GLY 104 2HA GLY 104 173.909 -9.455 -0.999 196 2HA GLY 104 1HA GLY 104 172.893 -10.202 0.234 197 H ASP 105 H ASP 105 172.153 -7.849 1.643 198 HA ASP 105 HA ASP 105 170.045 -6.837 -0.127 199 1HB ASP 105 2HB ASP 105 169.830 -7.454 2.320 200 2HB ASP 105 1HB ASP 105 170.803 -6.032 2.697 201 H LEU 106 H LEU 106 172.945 -5.545 1.473 202 HA LEU 106 HA LEU 106 172.621 -2.797 0.817 203 1HB LEU 106 2HB LEU 106 174.249 -3.695 2.421 204 2HB LEU 106 1HB LEU 106 175.103 -4.522 1.120 205 HG LEU 106 HG LEU 106 174.726 -1.629 0.663 206 1HD1 LEU 106 1HD1 LEU 106 176.814 -1.290 2.244 207 2HD1 LEU 106 2HD1 LEU 106 176.142 -2.685 3.089 208 3HD1 LEU 106 3HD1 LEU 106 175.182 -1.216 2.909 209 1HD2 LEU 106 1HD2 LEU 106 177.328 -3.137 0.738 210 2HD2 LEU 106 2HD2 LEU 106 176.840 -1.818 -0.326 211 3HD2 LEU 106 3HD2 LEU 106 176.179 -3.435 -0.566 212 H ARG 107 H ARG 107 174.432 -5.347 -0.956 213 HA ARG 107 HA ARG 107 175.172 -3.672 -3.163 214 1HB ARG 107 2HB ARG 107 176.014 -6.009 -2.352 215 2HB ARG 107 1HB ARG 107 174.695 -6.650 -3.332 216 1HG ARG 107 2HG ARG 107 175.608 -5.295 -5.271 217 2HG ARG 107 1HG ARG 107 177.022 -4.950 -4.272 218 1HD ARG 107 2HD ARG 107 177.619 -6.873 -5.574 219 2HD ARG 107 1HD ARG 107 177.211 -7.512 -3.969 220 HE ARG 107 HE ARG 107 174.797 -7.670 -5.080 221 1HH1 ARG 107 1HH2 ARG 107 176.545 -10.099 -5.219 222 2HH1 ARG 107 2HH2 ARG 107 176.543 -10.453 -6.914 223 1HH2 ARG 107 2HH1 ARG 107 175.360 -7.326 -7.836 224 2HH2 ARG 107 1HH1 ARG 107 175.872 -8.884 -8.396 225 H TYR 108 H TYR 108 172.236 -5.509 -2.477 226 HA TYR 108 HA TYR 108 171.193 -5.458 -5.169 227 1HB TYR 108 2HB TYR 108 170.509 -6.947 -3.226 228 2HB TYR 108 1HB TYR 108 169.671 -5.552 -2.545 229 HD1 TYR 108 HD1 TYR 108 169.708 -8.035 -5.259 230 HD2 TYR 108 HD2 TYR 108 167.681 -4.619 -3.626 231 HE1 TYR 108 HE1 TYR 108 167.758 -8.493 -6.722 232 HE2 TYR 108 HE2 TYR 108 165.731 -5.077 -5.089 233 HH TYR 108 HH TYR 108 165.852 -7.142 -7.717 234 H MET 109 H MET 109 170.542 -3.341 -2.335 235 HA MET 109 HA MET 109 168.727 -1.641 -3.728 236 1HB MET 109 2HB MET 109 170.310 -1.626 -1.218 237 2HB MET 109 1HB MET 109 169.714 -0.059 -1.766 238 1HG MET 109 2HG MET 109 167.597 -1.974 -2.075 239 2HG MET 109 1HG MET 109 168.269 -2.154 -0.458 240 1HE MET 109 1HE MET 109 167.834 0.286 -3.100 241 2HE MET 109 2HE MET 109 168.178 1.751 -2.186 242 3HE MET 109 3HE MET 109 166.516 1.358 -2.613 243 H LEU 110 H LEU 110 172.263 -1.442 -3.228 244 HA LEU 110 HA LEU 110 172.734 1.148 -4.301 245 1HB LEU 110 2HB LEU 110 174.221 -0.934 -3.335 246 2HB LEU 110 1HB LEU 110 174.599 -1.044 -5.054 247 HG LEU 110 HG LEU 110 175.023 1.503 -4.927 248 1HD1 LEU 110 1HD1 LEU 110 175.187 2.532 -2.877 249 2HD1 LEU 110 2HD1 LEU 110 175.694 1.055 -2.058 250 3HD1 LEU 110 3HD1 LEU 110 173.992 1.308 -2.448 251 1HD2 LEU 110 1HD2 LEU 110 176.687 -0.596 -4.852 252 2HD2 LEU 110 2HD2 LEU 110 177.022 0.051 -3.246 253 3HD2 LEU 110 3HD2 LEU 110 177.277 1.056 -4.672 254 H THR 111 H THR 111 172.484 -2.008 -5.893 255 HA THR 111 HA THR 111 172.902 -1.200 -8.597 256 HB THR 111 HB THR 111 171.052 -3.365 -7.557 257 HG1 THR 111 HG1 THR 111 172.882 -4.607 -7.368 258 1HG2 THR 111 1HG2 THR 111 172.817 -3.325 -10.015 259 2HG2 THR 111 2HG2 THR 111 171.117 -2.853 -10.039 260 3HG2 THR 111 3HG2 THR 111 171.569 -4.503 -9.607 261 H GLY 112 H GLY 112 170.121 -0.951 -6.490 262 1HA GLY 112 2HA GLY 112 168.270 -0.219 -8.662 263 2HA GLY 112 1HA GLY 112 167.864 -0.348 -6.953 264 H LEU 113 H LEU 113 170.522 1.354 -6.604 265 HA LEU 113 HA LEU 113 169.097 3.937 -6.553 266 1HB LEU 113 2HB LEU 113 170.710 2.552 -4.832 267 2HB LEU 113 1HB LEU 113 171.874 3.650 -5.570 268 HG LEU 113 HG LEU 113 170.892 4.654 -3.549 269 1HD1 LEU 113 1HD1 LEU 113 170.148 6.771 -4.513 270 2HD1 LEU 113 2HD1 LEU 113 169.829 5.982 -6.057 271 3HD1 LEU 113 3HD1 LEU 113 171.485 6.122 -5.465 272 1HD2 LEU 113 1HD2 LEU 113 168.220 4.681 -4.950 273 2HD2 LEU 113 2HD2 LEU 113 168.573 4.984 -3.250 274 3HD2 LEU 113 3HD2 LEU 113 168.685 3.347 -3.894 275 H GLY 114 H GLY 114 170.822 2.487 -8.974 276 1HA GLY 114 2HA GLY 114 171.552 3.771 -10.918 277 2HA GLY 114 1HA GLY 114 172.014 5.084 -9.831 278 H GLU 115 H GLU 115 172.677 1.724 -9.245 279 HA GLU 115 HA GLU 115 175.624 2.270 -9.514 280 1HB GLU 115 2HB GLU 115 174.536 1.757 -7.230 281 2HB GLU 115 1HB GLU 115 174.351 0.110 -7.835 282 1HG GLU 115 2HG GLU 115 176.433 0.071 -6.716 283 2HG GLU 115 1HG GLU 115 176.867 0.249 -8.416 284 H LYS 116 H LYS 116 176.492 1.221 -11.271 285 HA LYS 116 HA LYS 116 175.346 -1.436 -11.972 286 1HB LYS 116 2HB LYS 116 176.236 0.869 -13.735 287 2HB LYS 116 1HB LYS 116 176.074 -0.767 -14.375 288 1HG LYS 116 2HG LYS 116 173.716 -0.822 -13.650 289 2HG LYS 116 1HG LYS 116 173.874 0.815 -13.013 290 1HD LYS 116 2HD LYS 116 174.382 1.669 -15.253 291 2HD LYS 116 1HD LYS 116 174.310 0.034 -15.911 292 1HE LYS 116 2HE LYS 116 172.069 0.233 -16.177 293 2HE LYS 116 1HE LYS 116 171.878 0.544 -14.441 294 1HZ LYS 116 1HZ LYS 116 172.323 2.830 -14.750 295 2HZ LYS 116 2HZ LYS 116 171.189 2.418 -15.947 296 3HZ LYS 116 3HZ LYS 116 172.829 2.602 -16.353 297 H LEU 117 H LEU 117 177.125 -1.660 -10.222 298 HA LEU 117 HA LEU 117 179.871 -1.858 -11.322 299 1HB LEU 117 2HB LEU 117 178.619 -2.496 -8.626 300 2HB LEU 117 1HB LEU 117 180.349 -2.489 -8.971 301 HG LEU 117 HG LEU 117 178.592 -0.069 -9.421 302 1HD1 LEU 117 1HD1 LEU 117 180.329 -0.677 -7.009 303 2HD1 LEU 117 2HD1 LEU 117 178.568 -0.784 -7.019 304 3HD1 LEU 117 3HD1 LEU 117 179.357 0.773 -7.269 305 1HD2 LEU 117 1HD2 LEU 117 181.073 -0.589 -10.368 306 2HD2 LEU 117 2HD2 LEU 117 181.498 0.077 -8.792 307 3HD2 LEU 117 3HD2 LEU 117 180.543 1.033 -9.925 308 H THR 118 H THR 118 180.897 -3.923 -11.557 309 HA THR 118 HA THR 118 179.005 -6.246 -11.666 310 HB THR 118 HB THR 118 181.645 -5.921 -13.091 311 HG1 THR 118 HG1 THR 118 179.055 -5.222 -14.003 312 1HG2 THR 118 1HG2 THR 118 180.197 -7.427 -14.717 313 2HG2 THR 118 2HG2 THR 118 179.294 -7.764 -13.239 314 3HG2 THR 118 3HG2 THR 118 181.016 -8.137 -13.326 315 H ASP 119 H ASP 119 179.662 -8.179 -10.524 316 HA ASP 119 HA ASP 119 181.079 -8.157 -8.214 317 1HB ASP 119 2HB ASP 119 179.799 -10.030 -9.301 318 2HB ASP 119 1HB ASP 119 181.242 -10.394 -10.247 319 H ALA 120 H ALA 120 182.622 -8.154 -11.396 320 HA ALA 120 HA ALA 120 185.288 -8.895 -10.545 321 1HB ALA 120 1HB ALA 120 185.867 -8.211 -12.734 322 2HB ALA 120 2HB ALA 120 184.613 -6.971 -12.772 323 3HB ALA 120 3HB ALA 120 184.175 -8.674 -12.906 324 H GLU 121 H GLU 121 183.746 -5.697 -11.154 325 HA GLU 121 HA GLU 121 185.953 -4.189 -10.021 326 1HB GLU 121 2HB GLU 121 183.146 -3.657 -10.980 327 2HB GLU 121 1HB GLU 121 184.072 -2.382 -10.191 328 1HG GLU 121 2HG GLU 121 184.575 -2.088 -12.476 329 2HG GLU 121 1HG GLU 121 185.954 -3.001 -11.864 330 H VAL 122 H VAL 122 182.949 -5.545 -8.785 331 HA VAL 122 HA VAL 122 182.955 -3.996 -6.288 332 HB VAL 122 HB VAL 122 181.473 -6.508 -7.142 333 1HG1 VAL 122 1HG1 VAL 122 179.805 -5.385 -5.418 334 2HG1 VAL 122 2HG1 VAL 122 181.282 -4.653 -4.790 335 3HG1 VAL 122 3HG1 VAL 122 181.121 -6.409 -4.843 336 1HG2 VAL 122 1HG2 VAL 122 179.617 -4.879 -7.613 337 2HG2 VAL 122 2HG2 VAL 122 181.004 -4.687 -8.685 338 3HG2 VAL 122 3HG2 VAL 122 180.763 -3.566 -7.344 339 H ASP 123 H ASP 123 184.092 -7.213 -7.328 340 HA ASP 123 HA ASP 123 184.573 -8.233 -4.688 341 1HB ASP 123 2HB ASP 123 184.432 -9.603 -6.754 342 2HB ASP 123 1HB ASP 123 185.919 -8.863 -7.344 343 H GLU 124 H GLU 124 186.747 -6.529 -6.987 344 HA GLU 124 HA GLU 124 189.152 -6.570 -5.435 345 1HB GLU 124 2HB GLU 124 189.693 -4.546 -6.757 346 2HB GLU 124 1HB GLU 124 189.057 -5.852 -7.750 347 1HG GLU 124 2HG GLU 124 186.833 -4.776 -7.709 348 2HG GLU 124 1HG GLU 124 187.499 -3.449 -6.760 349 H LEU 125 H LEU 125 186.393 -4.283 -5.377 350 HA LEU 125 HA LEU 125 187.448 -2.473 -3.425 351 1HB LEU 125 2HB LEU 125 184.649 -3.310 -4.238 352 2HB LEU 125 1HB LEU 125 184.979 -1.952 -3.166 353 HG LEU 125 HG LEU 125 186.140 -2.230 -5.949 354 1HD1 LEU 125 1HD1 LEU 125 184.499 -0.565 -6.637 355 2HD1 LEU 125 2HD1 LEU 125 183.858 -0.474 -4.997 356 3HD1 LEU 125 3HD1 LEU 125 183.654 -1.949 -5.943 357 1HD2 LEU 125 1HD2 LEU 125 187.537 -0.834 -4.604 358 2HD2 LEU 125 2HD2 LEU 125 186.148 -0.056 -3.845 359 3HD2 LEU 125 3HD2 LEU 125 186.524 0.268 -5.537 360 H LEU 126 H LEU 126 185.278 -5.282 -3.136 361 HA LEU 126 HA LEU 126 184.876 -5.255 -0.317 362 1HB LEU 126 2HB LEU 126 184.853 -7.355 -2.478 363 2HB LEU 126 1HB LEU 126 184.487 -7.771 -0.802 364 HG LEU 126 HG LEU 126 183.085 -5.546 -2.303 365 1HD1 LEU 126 1HD1 LEU 126 182.617 -7.679 -3.409 366 2HD1 LEU 126 2HD1 LEU 126 181.200 -7.160 -2.496 367 3HD1 LEU 126 3HD1 LEU 126 182.248 -8.426 -1.854 368 1HD2 LEU 126 1HD2 LEU 126 182.928 -6.775 0.408 369 2HD2 LEU 126 2HD2 LEU 126 181.397 -6.355 -0.360 370 3HD2 LEU 126 3HD2 LEU 126 182.618 -5.112 -0.091 371 H LYS 127 H LYS 127 187.672 -6.151 -2.184 372 HA LYS 127 HA LYS 127 188.908 -8.127 -0.638 373 1HB LYS 127 2HB LYS 127 189.601 -7.160 -2.844 374 2HB LYS 127 1HB LYS 127 190.234 -5.757 -1.980 375 1HG LYS 127 2HG LYS 127 191.781 -7.175 -0.733 376 2HG LYS 127 1HG LYS 127 191.104 -8.620 -1.486 377 1HD LYS 127 2HD LYS 127 191.816 -7.799 -3.703 378 2HD LYS 127 1HD LYS 127 192.500 -6.359 -2.949 379 1HE LYS 127 2HE LYS 127 194.365 -7.476 -2.257 380 2HE LYS 127 1HE LYS 127 193.430 -8.895 -1.747 381 1HZ LYS 127 1HZ LYS 127 194.131 -8.145 -4.536 382 2HZ LYS 127 2HZ LYS 127 193.092 -9.422 -4.117 383 3HZ LYS 127 3HZ LYS 127 194.730 -9.473 -3.669 384 H GLY 128 H GLY 128 188.431 -4.732 0.117 385 1HA GLY 128 2HA GLY 128 190.206 -5.022 2.506 386 2HA GLY 128 1HA GLY 128 189.950 -3.489 1.673 387 H VAL 129 H VAL 129 187.267 -5.701 2.152 388 HA VAL 129 HA VAL 129 186.101 -3.742 4.103 389 HB VAL 129 HB VAL 129 184.813 -5.752 2.214 390 1HG1 VAL 129 1HG1 VAL 129 183.468 -5.324 4.249 391 2HG1 VAL 129 2HG1 VAL 129 182.704 -4.627 2.820 392 3HG1 VAL 129 3HG1 VAL 129 183.575 -3.589 3.947 393 1HG2 VAL 129 1HG2 VAL 129 184.875 -2.721 2.088 394 2HG2 VAL 129 2HG2 VAL 129 184.180 -3.813 0.891 395 3HG2 VAL 129 3HG2 VAL 129 185.927 -3.771 1.136 396 H GLU 130 H GLU 130 185.743 -4.383 6.096 397 HA GLU 130 HA GLU 130 186.257 -7.224 6.866 398 1HB GLU 130 2HB GLU 130 187.508 -5.301 7.853 399 2HB GLU 130 1HB GLU 130 185.986 -4.691 8.506 400 1HG GLU 130 2HG GLU 130 185.683 -6.789 9.770 401 2HG GLU 130 1HG GLU 130 187.203 -7.402 9.121 402 H VAL 131 H VAL 131 184.333 -8.325 6.611 403 HA VAL 131 HA VAL 131 181.760 -7.254 7.608 404 HB VAL 131 HB VAL 131 181.959 -8.640 5.552 405 1HG1 VAL 131 1HG1 VAL 131 183.235 -10.499 5.479 406 2HG1 VAL 131 2HG1 VAL 131 182.366 -11.211 6.838 407 3HG1 VAL 131 3HG1 VAL 131 183.748 -10.155 7.130 408 1HG2 VAL 131 1HG2 VAL 131 180.578 -10.320 7.632 409 2HG2 VAL 131 2HG2 VAL 131 180.071 -9.973 5.979 410 3HG2 VAL 131 3HG2 VAL 131 179.969 -8.719 7.214 411 H ASP 132 H ASP 132 180.581 -8.387 9.340 412 HA ASP 132 HA ASP 132 182.424 -9.288 11.484 413 1HB ASP 132 2HB ASP 132 179.515 -8.451 11.356 414 2HB ASP 132 1HB ASP 132 180.320 -8.945 12.846 415 H SER 133 H SER 133 181.156 -10.933 13.011 416 HA SER 133 HA SER 133 181.024 -13.461 11.606 417 1HB SER 133 2HB SER 133 180.645 -12.441 14.398 418 2HB SER 133 1HB SER 133 180.159 -14.091 14.026 419 HG SER 133 HG SER 133 182.462 -13.568 14.702 420 H ASN 134 H ASN 134 178.667 -11.049 11.782 421 HA ASN 134 HA ASN 134 176.410 -13.014 11.771 422 1HB ASN 134 2HB ASN 134 176.633 -10.949 13.369 423 2HB ASN 134 1HB ASN 134 176.196 -10.012 11.940 424 1HD2 ASN 134 1HD2 ASN 134 174.114 -9.461 13.020 425 2HD2 ASN 134 2HD2 ASN 134 172.860 -10.603 13.072 426 H GLY 135 H GLY 135 178.297 -10.949 9.746 427 1HA GLY 135 2HA GLY 135 178.165 -10.965 7.354 428 2HA GLY 135 1HA GLY 135 176.520 -11.591 7.473 429 H GLU 136 H GLU 136 177.591 -8.850 9.370 430 HA GLU 136 HA GLU 136 175.707 -7.123 7.807 431 1HB GLU 136 2HB GLU 136 176.644 -7.155 10.687 432 2HB GLU 136 1HB GLU 136 175.674 -5.846 10.010 433 1HG GLU 136 2HG GLU 136 173.917 -7.463 9.389 434 2HG GLU 136 1HG GLU 136 174.882 -8.774 10.065 435 H ILE 137 H ILE 137 176.479 -5.327 6.843 436 HA ILE 137 HA ILE 137 179.253 -4.396 7.508 437 HB ILE 137 HB ILE 137 177.829 -4.621 4.834 438 1HG1 ILE 137 2HG1 ILE 137 180.025 -6.061 4.496 439 2HG1 ILE 137 1HG1 ILE 137 179.967 -6.177 6.254 440 1HG2 ILE 137 1HG2 ILE 137 179.158 -2.744 4.490 441 2HG2 ILE 137 2HG2 ILE 137 180.306 -4.026 4.101 442 3HG2 ILE 137 3HG2 ILE 137 180.355 -3.247 5.684 443 1HD1 ILE 137 1HD1 ILE 137 178.173 -7.567 6.218 444 2HD1 ILE 137 2HD1 ILE 137 178.612 -7.837 4.535 445 3HD1 ILE 137 3HD1 ILE 137 177.371 -6.652 4.941 446 H ASP 138 H ASP 138 179.456 -2.192 7.762 447 HA ASP 138 HA ASP 138 177.099 -0.607 8.235 448 1HB ASP 138 2HB ASP 138 178.814 1.206 8.578 449 2HB ASP 138 1HB ASP 138 179.152 -0.270 9.472 450 H TYR 139 H TYR 139 175.837 0.118 6.551 451 HA TYR 139 HA TYR 139 176.727 0.391 3.825 452 1HB TYR 139 2HB TYR 139 174.471 1.053 3.433 453 2HB TYR 139 1HB TYR 139 174.428 -0.136 4.727 454 HD1 TYR 139 HD1 TYR 139 173.926 3.379 3.827 455 HD2 TYR 139 HD2 TYR 139 173.957 0.550 7.059 456 HE1 TYR 139 HE1 TYR 139 172.744 5.014 5.266 457 HE2 TYR 139 HE2 TYR 139 172.777 2.187 8.496 458 HH TYR 139 HH TYR 139 172.682 5.075 8.307 459 H LYS 140 H LYS 140 176.080 2.812 6.371 460 HA LYS 140 HA LYS 140 176.331 5.159 4.810 461 1HB LYS 140 2HB LYS 140 176.088 4.377 7.553 462 2HB LYS 140 1HB LYS 140 177.368 5.582 7.457 463 1HG LYS 140 2HG LYS 140 175.813 7.039 6.130 464 2HG LYS 140 1HG LYS 140 174.532 5.864 6.429 465 1HD LYS 140 2HD LYS 140 174.410 6.363 8.690 466 2HD LYS 140 1HD LYS 140 176.088 6.901 8.768 467 1HE LYS 140 2HE LYS 140 175.302 8.842 7.206 468 2HE LYS 140 1HE LYS 140 173.675 8.409 7.769 469 1HZ LYS 140 1HZ LYS 140 174.601 9.987 9.296 470 2HZ LYS 140 2HZ LYS 140 176.027 9.078 9.459 471 3HZ LYS 140 3HZ LYS 140 174.557 8.476 10.065 472 H LYS 141 H LYS 141 178.829 3.107 6.216 473 HA LYS 141 HA LYS 141 180.975 5.062 5.781 474 1HB LYS 141 2HB LYS 141 180.942 2.134 6.545 475 2HB LYS 141 1HB LYS 141 182.361 3.175 6.617 476 1HG LYS 141 2HG LYS 141 179.786 3.803 8.079 477 2HG LYS 141 1HG LYS 141 181.115 2.906 8.816 478 1HD LYS 141 2HD LYS 141 182.638 4.819 8.280 479 2HD LYS 141 1HD LYS 141 181.238 5.722 7.700 480 1HE LYS 141 2HE LYS 141 180.590 6.247 9.815 481 2HE LYS 141 1HE LYS 141 180.805 4.575 10.372 482 1HZ LYS 141 1HZ LYS 141 182.936 6.604 9.957 483 2HZ LYS 141 2HZ LYS 141 183.234 4.964 10.288 484 3HZ LYS 141 3HZ LYS 141 182.445 5.936 11.436 485 H PHE 142 H PHE 142 179.878 2.044 4.221 486 HA PHE 142 HA PHE 142 182.086 1.888 2.395 487 1HB PHE 142 2HB PHE 142 180.492 0.055 3.133 488 2HB PHE 142 1HB PHE 142 179.287 0.765 2.059 489 HD1 PHE 142 HD1 PHE 142 179.068 -0.391 0.053 490 HD2 PHE 142 HD2 PHE 142 182.962 0.023 1.819 491 HE1 PHE 142 HE1 PHE 142 180.070 -1.616 -1.862 492 HE2 PHE 142 HE2 PHE 142 183.962 -1.197 -0.094 493 HZ PHE 142 HZ PHE 142 182.516 -2.018 -1.933 494 H ILE 143 H ILE 143 178.978 3.582 2.226 495 HA ILE 143 HA ILE 143 179.269 4.137 -0.653 496 HB ILE 143 HB ILE 143 177.163 5.332 -0.349 497 1HG1 ILE 143 2HG1 ILE 143 177.587 4.904 2.635 498 2HG1 ILE 143 1HG1 ILE 143 177.681 6.450 1.800 499 1HG2 ILE 143 1HG2 ILE 143 175.803 3.492 0.611 500 2HG2 ILE 143 2HG2 ILE 143 177.271 2.768 1.269 501 3HG2 ILE 143 3HG2 ILE 143 177.053 2.890 -0.477 502 1HD1 ILE 143 1HD1 ILE 143 175.388 5.338 2.930 503 2HD1 ILE 143 2HD1 ILE 143 175.188 5.067 1.199 504 3HD1 ILE 143 3HD1 ILE 143 175.445 6.700 1.811 505 H GLU 144 H GLU 144 179.579 6.016 2.386 506 HA GLU 144 HA GLU 144 180.240 8.509 1.095 507 1HB GLU 144 2HB GLU 144 180.716 7.334 3.848 508 2HB GLU 144 1HB GLU 144 181.089 9.010 3.442 509 1HG GLU 144 2HG GLU 144 178.738 9.379 2.787 510 2HG GLU 144 1HG GLU 144 178.361 7.706 3.194 511 H ASP 145 H ASP 145 182.162 5.688 1.987 512 HA ASP 145 HA ASP 145 184.689 7.144 1.573 513 1HB ASP 145 2HB ASP 145 184.215 5.243 3.272 514 2HB ASP 145 1HB ASP 145 184.303 4.154 1.886 515 H VAL 146 H VAL 146 182.437 5.456 -0.397 516 HA VAL 146 HA VAL 146 184.472 4.942 -2.514 517 HB VAL 146 HB VAL 146 181.510 4.318 -2.183 518 1HG1 VAL 146 1HG1 VAL 146 182.153 2.769 -4.237 519 2HG1 VAL 146 2HG1 VAL 146 183.369 4.015 -4.521 520 3HG1 VAL 146 3HG1 VAL 146 181.656 4.440 -4.504 521 1HG2 VAL 146 1HG2 VAL 146 183.812 2.380 -2.429 522 2HG2 VAL 146 2HG2 VAL 146 182.199 2.089 -1.779 523 3HG2 VAL 146 3HG2 VAL 146 183.354 3.063 -0.869 524 H LEU 147 H LEU 147 181.631 6.861 -1.717 525 HA LEU 147 HA LEU 147 181.268 8.312 -4.182 526 1HB LEU 147 2HB LEU 147 180.670 8.770 -1.260 527 2HB LEU 147 1HB LEU 147 180.277 9.993 -2.468 528 HG LEU 147 HG LEU 147 179.405 7.118 -2.775 529 1HD1 LEU 147 1HD1 LEU 147 178.618 8.517 -0.627 530 2HD1 LEU 147 2HD1 LEU 147 177.512 7.462 -1.505 531 3HD1 LEU 147 3HD1 LEU 147 177.498 9.199 -1.806 532 1HD2 LEU 147 1HD2 LEU 147 178.946 8.068 -4.807 533 2HD2 LEU 147 2HD2 LEU 147 178.976 9.709 -4.161 534 3HD2 LEU 147 3HD2 LEU 147 177.537 8.710 -3.962 535 H ARG 148 H ARG 148 183.762 8.561 -1.783 536 HA ARG 148 HA ARG 148 184.499 11.297 -2.015 537 1HB ARG 148 2HB ARG 148 185.958 8.712 -1.478 538 2HB ARG 148 1HB ARG 148 186.824 10.249 -1.495 539 1HG ARG 148 2HG ARG 148 184.308 9.935 0.127 540 2HG ARG 148 1HG ARG 148 185.860 9.403 0.772 541 1HD ARG 148 2HD ARG 148 186.775 11.605 0.678 542 2HD ARG 148 1HD ARG 148 185.455 12.188 -0.355 543 HE ARG 148 HE ARG 148 183.997 12.188 1.552 544 1HH1 ARG 148 2HH1 ARG 148 186.541 13.202 2.872 545 2HH1 ARG 148 1HH1 ARG 148 186.606 12.210 4.289 546 1HH2 ARG 148 1HH2 ARG 148 184.317 9.894 3.097 547 2HH2 ARG 148 2HH2 ARG 148 185.346 10.337 4.417 548 H GLN 149 HN GLN 149 185.498 12.424 -3.670 549 HA GLN 149 HA GLN 149 186.970 10.963 -5.800 550 1HB GLN 149 2HB GLN 149 184.569 11.013 -6.435 551 2HB GLN 149 1HB GLN 149 184.575 12.770 -6.278 552 1HG GLN 149 2HG GLN 149 186.267 12.943 -8.049 553 2HG GLN 149 1HG GLN 149 186.318 11.186 -8.190 554 1HE2 GLN 149 1HE2 GLN 149 185.504 13.077 -10.319 555 2HE2 GLN 149 2HE2 GLN 149 183.895 12.698 -10.707 Start of MODEL 20 1 1H LYS 80 H LYS 80 178.529 16.843 -8.177 2 HA LYS 80 HA LYS 80 176.554 17.939 -8.873 3 1HB LYS 80 2HB LYS 80 176.338 15.228 -10.212 4 2HB LYS 80 1HB LYS 80 175.220 16.552 -10.542 5 1HG LYS 80 2HG LYS 80 177.111 17.983 -11.225 6 2HG LYS 80 1HG LYS 80 178.230 16.660 -10.899 7 1HD LYS 80 2HD LYS 80 177.092 15.274 -12.594 8 2HD LYS 80 1HD LYS 80 175.974 16.598 -12.924 9 1HE LYS 80 2HE LYS 80 177.583 17.866 -14.021 10 2HE LYS 80 1HE LYS 80 178.920 17.150 -13.098 11 1HZ LYS 80 1HZ LYS 80 177.232 15.602 -14.985 12 2HZ LYS 80 2HZ LYS 80 178.683 15.110 -14.249 13 3HZ LYS 80 3HZ LYS 80 178.700 16.322 -15.440 14 H ALA 81 H ALA 81 176.253 14.721 -7.511 15 HA ALA 81 HA ALA 81 173.494 15.263 -6.482 16 1HB ALA 81 1HB ALA 81 175.220 12.927 -7.138 17 2HB ALA 81 2HB ALA 81 173.493 13.161 -7.412 18 3HB ALA 81 3HB ALA 81 174.080 12.725 -5.807 19 H LYS 82 H LYS 82 173.096 14.832 -4.162 20 HA LYS 82 HA LYS 82 175.516 15.388 -2.476 21 1HB LYS 82 2HB LYS 82 172.553 15.931 -2.132 22 2HB LYS 82 1HB LYS 82 173.777 16.306 -0.918 23 1HG LYS 82 2HG LYS 82 174.953 17.545 -2.933 24 2HG LYS 82 1HG LYS 82 173.320 17.571 -3.597 25 1HD LYS 82 2HD LYS 82 173.807 18.439 -0.758 26 2HD LYS 82 1HD LYS 82 174.094 19.560 -2.089 27 1HE LYS 82 2HE LYS 82 171.745 19.073 -2.902 28 2HE LYS 82 1HE LYS 82 171.483 18.179 -1.390 29 1HZ LYS 82 1HZ LYS 82 172.389 21.003 -1.607 30 2HZ LYS 82 2HZ LYS 82 172.190 20.142 -0.156 31 3HZ LYS 82 3HZ LYS 82 170.842 20.497 -1.128 32 H THR 83 H THR 83 175.558 14.440 -0.389 33 HA THR 83 HA THR 83 175.360 11.632 -0.262 34 HB THR 83 HB THR 83 175.033 13.559 2.064 35 HG1 THR 83 HG1 THR 83 176.843 14.299 1.291 36 1HG2 THR 83 1HG2 THR 83 175.043 11.601 3.201 37 2HG2 THR 83 2HG2 THR 83 176.757 11.536 2.800 38 3HG2 THR 83 3HG2 THR 83 175.584 10.685 1.795 39 H GLU 84 H GLU 84 172.932 14.066 0.410 40 HA GLU 84 HA GLU 84 170.933 12.702 1.816 41 1HB GLU 84 2HB GLU 84 170.840 14.680 -0.486 42 2HB GLU 84 1HB GLU 84 169.412 14.246 0.466 43 1HG GLU 84 2HG GLU 84 171.975 15.320 1.678 44 2HG GLU 84 1HG GLU 84 170.585 16.328 1.274 45 H ASP 85 H ASP 85 171.660 12.521 -1.657 46 HA ASP 85 HA ASP 85 169.376 10.992 -2.481 47 1HB ASP 85 2HB ASP 85 171.140 12.223 -3.868 48 2HB ASP 85 1HB ASP 85 172.190 10.833 -3.595 49 H PHE 86 H PHE 86 172.644 9.965 -1.487 50 HA PHE 86 HA PHE 86 172.055 7.117 -1.643 51 1HB PHE 86 2HB PHE 86 174.266 8.938 -0.935 52 2HB PHE 86 1HB PHE 86 174.279 7.414 -0.048 53 HD1 PHE 86 HD1 PHE 86 175.662 8.881 -2.801 54 HD2 PHE 86 HD2 PHE 86 173.396 5.381 -1.776 55 HE1 PHE 86 HE1 PHE 86 176.546 7.722 -4.807 56 HE2 PHE 86 HE2 PHE 86 174.280 4.220 -3.781 57 HZ PHE 86 HZ PHE 86 175.854 5.390 -5.299 58 H VAL 87 H VAL 87 172.213 9.487 1.040 59 HA VAL 87 HA VAL 87 171.982 7.660 3.184 60 HB VAL 87 HB VAL 87 170.952 10.501 2.870 61 1HG1 VAL 87 1HG1 VAL 87 171.497 8.815 5.331 62 2HG1 VAL 87 2HG1 VAL 87 169.962 9.541 4.853 63 3HG1 VAL 87 3HG1 VAL 87 171.298 10.567 5.373 64 1HG2 VAL 87 1HG2 VAL 87 173.089 11.224 3.283 65 2HG2 VAL 87 2HG2 VAL 87 173.510 9.667 2.571 66 3HG2 VAL 87 3HG2 VAL 87 173.465 9.852 4.324 67 H LYS 88 H LYS 88 169.399 9.484 1.497 68 HA LYS 88 HA LYS 88 167.162 8.480 2.928 69 1HB LYS 88 2HB LYS 88 167.604 9.523 0.128 70 2HB LYS 88 1HB LYS 88 165.995 9.112 0.719 71 1HG LYS 88 2HG LYS 88 166.288 10.678 2.607 72 2HG LYS 88 1HG LYS 88 167.896 11.091 2.012 73 1HD LYS 88 2HD LYS 88 166.909 11.913 -0.096 74 2HD LYS 88 1HD LYS 88 165.299 11.507 0.501 75 1HE LYS 88 2HE LYS 88 165.518 13.113 2.329 76 2HE LYS 88 1HE LYS 88 167.190 13.466 1.853 77 1HZ LYS 88 1HZ LYS 88 166.387 14.137 -0.330 78 2HZ LYS 88 2HZ LYS 88 165.662 15.077 0.885 79 3HZ LYS 88 3HZ LYS 88 164.788 13.826 0.139 80 H ALA 89 H ALA 89 168.884 7.137 0.151 81 HA ALA 89 HA ALA 89 167.006 5.136 -0.631 82 1HB ALA 89 1HB ALA 89 168.893 5.802 -1.993 83 2HB ALA 89 2HB ALA 89 169.068 4.088 -1.618 84 3HB ALA 89 3HB ALA 89 170.029 5.284 -0.747 85 H PHE 90 H PHE 90 169.932 4.656 1.438 86 HA PHE 90 HA PHE 90 169.096 1.962 2.150 87 1HB PHE 90 2HB PHE 90 171.254 3.890 3.002 88 2HB PHE 90 1HB PHE 90 171.081 2.312 3.770 89 HD1 PHE 90 HD1 PHE 90 172.262 4.104 0.858 90 HD2 PHE 90 HD2 PHE 90 171.129 0.227 2.321 91 HE1 PHE 90 HE1 PHE 90 173.441 3.041 -1.046 92 HE2 PHE 90 HE2 PHE 90 172.309 -0.835 0.417 93 HZ PHE 90 HZ PHE 90 173.465 0.571 -1.266 94 H GLN 91 H GLN 91 169.461 4.937 4.124 95 HA GLN 91 HA GLN 91 168.591 4.033 6.578 96 1HB GLN 91 2HB GLN 91 168.154 6.641 5.127 97 2HB GLN 91 1HB GLN 91 167.711 6.435 6.822 98 1HG GLN 91 2HG GLN 91 170.155 5.485 7.048 99 2HG GLN 91 1HG GLN 91 170.436 6.388 5.559 100 1HE2 GLN 91 1HE2 GLN 91 170.966 6.775 8.719 101 2HE2 GLN 91 2HE2 GLN 91 170.642 8.430 8.910 102 H VAL 92 H VAL 92 166.371 4.929 3.885 103 HA VAL 92 HA VAL 92 163.979 4.869 5.415 104 HB VAL 92 HB VAL 92 164.585 4.228 2.507 105 1HG1 VAL 92 1HG1 VAL 92 162.471 3.271 2.660 106 2HG1 VAL 92 2HG1 VAL 92 162.031 4.953 2.361 107 3HG1 VAL 92 3HG1 VAL 92 161.986 4.307 4.002 108 1HG2 VAL 92 1HG2 VAL 92 164.992 6.552 3.584 109 2HG2 VAL 92 2HG2 VAL 92 163.235 6.673 3.648 110 3HG2 VAL 92 3HG2 VAL 92 164.049 6.493 2.094 111 H PHE 93 H PHE 93 165.825 2.235 3.904 112 HA PHE 93 HA PHE 93 163.908 0.122 4.352 113 1HB PHE 93 2HB PHE 93 166.862 0.377 3.849 114 2HB PHE 93 1HB PHE 93 166.206 -1.196 4.295 115 HD1 PHE 93 HD1 PHE 93 165.693 -2.583 2.504 116 HD2 PHE 93 HD2 PHE 93 165.187 1.661 2.075 117 HE1 PHE 93 HE1 PHE 93 164.898 -2.913 0.179 118 HE2 PHE 93 HE2 PHE 93 164.391 1.331 -0.251 119 HZ PHE 93 HZ PHE 93 164.247 -0.956 -1.199 120 H ASP 94 H ASP 94 166.658 1.382 6.286 121 HA ASP 94 HA ASP 94 166.514 -0.503 8.430 122 1HB ASP 94 2HB ASP 94 167.413 2.383 8.225 123 2HB ASP 94 1HB ASP 94 167.688 1.390 9.657 124 H LYS 95 H LYS 95 164.129 -0.688 8.710 125 HA LYS 95 HA LYS 95 162.442 1.430 9.608 126 1HB LYS 95 2HB LYS 95 162.410 -1.543 10.241 127 2HB LYS 95 1HB LYS 95 161.037 -0.450 10.412 128 1HG LYS 95 2HG LYS 95 161.459 0.105 7.904 129 2HG LYS 95 1HG LYS 95 162.387 -1.392 7.892 130 1HD LYS 95 2HD LYS 95 160.402 -2.593 8.809 131 2HD LYS 95 1HD LYS 95 159.477 -1.097 8.685 132 1HE LYS 95 2HE LYS 95 159.873 -1.041 6.244 133 2HE LYS 95 1HE LYS 95 160.800 -2.550 6.365 134 1HZ LYS 95 1HZ LYS 95 157.982 -2.185 7.241 135 2HZ LYS 95 2HZ LYS 95 158.879 -3.624 7.348 136 3HZ LYS 95 3HZ LYS 95 158.470 -2.985 5.827 137 H GLU 96 H GLU 96 164.512 -0.854 11.436 138 HA GLU 96 HA GLU 96 163.810 0.491 13.987 139 1HB GLU 96 2HB GLU 96 165.431 -1.943 13.191 140 2HB GLU 96 1HB GLU 96 165.277 -1.398 14.861 141 1HG GLU 96 2HG GLU 96 162.904 -2.009 13.080 142 2HG GLU 96 1HG GLU 96 163.615 -3.180 14.190 143 H SER 97 H SER 97 165.597 1.647 11.697 144 HA SER 97 HA SER 97 167.648 2.699 11.424 145 1HB SER 97 2HB SER 97 166.101 3.560 13.721 146 2HB SER 97 1HB SER 97 167.802 3.964 13.927 147 HG SER 97 HG SER 97 166.279 4.495 11.588 148 H THR 98 H THR 98 168.203 -0.027 12.413 149 HA THR 98 HA THR 98 170.061 0.024 14.604 150 HB THR 98 HB THR 98 169.058 -2.041 13.808 151 HG1 THR 98 HG1 THR 98 171.802 -2.077 13.119 152 1HG2 THR 98 1HG2 THR 98 169.460 -1.014 11.259 153 2HG2 THR 98 2HG2 THR 98 168.900 -2.637 11.637 154 3HG2 THR 98 3HG2 THR 98 170.613 -2.342 11.352 155 H GLY 99 H GLY 99 170.437 0.647 11.148 156 1HA GLY 99 2HA GLY 99 172.124 2.031 10.183 157 2HA GLY 99 1HA GLY 99 173.032 1.937 11.687 158 H LYS 100 H LYS 100 171.992 -1.143 10.607 159 HA LYS 100 HA LYS 100 174.618 -1.628 9.255 160 1HB LYS 100 2HB LYS 100 173.203 -3.102 11.484 161 2HB LYS 100 1HB LYS 100 174.466 -3.870 10.521 162 1HG LYS 100 2HG LYS 100 175.816 -2.983 12.150 163 2HG LYS 100 1HG LYS 100 175.721 -1.557 11.116 164 1HD LYS 100 2HD LYS 100 175.066 -0.577 13.089 165 2HD LYS 100 1HD LYS 100 173.489 -1.165 12.562 166 1HE LYS 100 2HE LYS 100 173.672 -3.133 13.959 167 2HE LYS 100 1HE LYS 100 175.362 -2.754 14.352 168 1HZ LYS 100 1HZ LYS 100 173.729 -1.983 16.052 169 2HZ LYS 100 2HZ LYS 100 173.090 -0.919 14.891 170 3HZ LYS 100 3HZ LYS 100 174.697 -0.746 15.412 171 H VAL 101 H VAL 101 174.508 -3.363 7.629 172 HA VAL 101 HA VAL 101 171.859 -4.584 7.130 173 HB VAL 101 HB VAL 101 171.900 -3.746 4.766 174 1HG1 VAL 101 1HG1 VAL 101 170.752 -2.528 6.701 175 2HG1 VAL 101 2HG1 VAL 101 171.108 -1.553 5.274 176 3HG1 VAL 101 3HG1 VAL 101 172.136 -1.435 6.703 177 1HG2 VAL 101 1HG2 VAL 101 173.520 -2.192 4.017 178 2HG2 VAL 101 2HG2 VAL 101 174.466 -3.394 4.895 179 3HG2 VAL 101 3HG2 VAL 101 174.078 -1.852 5.655 180 H SER 102 H SER 102 171.987 -6.330 5.518 181 HA SER 102 HA SER 102 174.496 -7.853 5.702 182 1HB SER 102 2HB SER 102 173.031 -9.449 4.329 183 2HB SER 102 1HB SER 102 172.436 -9.025 5.931 184 HG SER 102 HG SER 102 171.133 -8.776 3.733 185 H VAL 103 H VAL 103 175.878 -8.324 3.946 186 HA VAL 103 HA VAL 103 176.291 -6.437 1.881 187 HB VAL 103 HB VAL 103 177.916 -8.120 2.681 188 1HG1 VAL 103 1HG1 VAL 103 176.358 -10.168 1.096 189 2HG1 VAL 103 2HG1 VAL 103 176.140 -9.955 2.832 190 3HG1 VAL 103 3HG1 VAL 103 177.709 -10.446 2.195 191 1HG2 VAL 103 1HG2 VAL 103 178.662 -8.947 0.376 192 2HG2 VAL 103 2HG2 VAL 103 178.449 -7.204 0.542 193 3HG2 VAL 103 3HG2 VAL 103 177.211 -8.172 -0.259 194 H GLY 104 H GLY 104 174.364 -9.455 1.795 195 1HA GLY 104 2HA GLY 104 173.799 -9.457 -0.987 196 2HA GLY 104 1HA GLY 104 172.776 -10.193 0.246 197 H ASP 105 H ASP 105 172.168 -7.821 1.714 198 HA ASP 105 HA ASP 105 170.048 -6.721 0.014 199 1HB ASP 105 2HB ASP 105 169.880 -7.353 2.458 200 2HB ASP 105 1HB ASP 105 170.912 -5.968 2.821 201 H LEU 106 H LEU 106 172.981 -5.467 1.619 202 HA LEU 106 HA LEU 106 172.694 -2.726 0.910 203 1HB LEU 106 2HB LEU 106 174.299 -3.657 2.548 204 2HB LEU 106 1HB LEU 106 175.185 -4.436 1.237 205 HG LEU 106 HG LEU 106 175.441 -2.098 0.221 206 1HD1 LEU 106 1HD1 LEU 106 173.621 -1.333 2.045 207 2HD1 LEU 106 2HD1 LEU 106 174.841 -0.226 1.416 208 3HD1 LEU 106 3HD1 LEU 106 175.086 -1.015 2.975 209 1HD2 LEU 106 1HD2 LEU 106 177.277 -1.510 1.897 210 2HD2 LEU 106 2HD2 LEU 106 177.354 -3.137 1.222 211 3HD2 LEU 106 3HD2 LEU 106 176.722 -2.886 2.848 212 H ARG 107 H ARG 107 174.511 -5.322 -0.785 213 HA ARG 107 HA ARG 107 175.304 -3.712 -3.021 214 1HB ARG 107 2HB ARG 107 176.096 -6.046 -2.172 215 2HB ARG 107 1HB ARG 107 174.746 -6.684 -3.112 216 1HG ARG 107 2HG ARG 107 175.657 -5.453 -5.115 217 2HG ARG 107 1HG ARG 107 177.080 -5.049 -4.152 218 1HD ARG 107 2HD ARG 107 177.625 -7.044 -5.405 219 2HD ARG 107 1HD ARG 107 177.348 -7.560 -3.731 220 HE ARG 107 HE ARG 107 174.829 -7.695 -4.876 221 1HH1 ARG 107 2HH1 ARG 107 176.748 -8.223 -7.304 222 2HH1 ARG 107 1HH1 ARG 107 176.681 -9.953 -7.351 223 1HH2 ARG 107 1HH2 ARG 107 175.253 -10.248 -4.205 224 2HH2 ARG 107 2HH2 ARG 107 175.834 -11.100 -5.597 225 H TYR 108 H TYR 108 172.338 -5.512 -2.343 226 HA TYR 108 HA TYR 108 171.294 -5.426 -5.031 227 1HB TYR 108 2HB TYR 108 170.592 -6.866 -3.019 228 2HB TYR 108 1HB TYR 108 169.714 -5.448 -2.444 229 HD1 TYR 108 HD1 TYR 108 170.161 -7.468 -5.578 230 HD2 TYR 108 HD2 TYR 108 167.494 -5.181 -3.106 231 HE1 TYR 108 HE1 TYR 108 168.280 -8.017 -7.098 232 HE2 TYR 108 HE2 TYR 108 165.614 -5.730 -4.626 233 HH TYR 108 HH TYR 108 165.726 -8.170 -6.879 234 H MET 109 H MET 109 170.716 -3.298 -2.193 235 HA MET 109 HA MET 109 168.938 -1.537 -3.548 236 1HB MET 109 2HB MET 109 170.597 -1.557 -1.086 237 2HB MET 109 1HB MET 109 170.050 0.027 -1.636 238 1HG MET 109 2HG MET 109 167.807 -1.671 -1.887 239 2HG MET 109 1HG MET 109 168.545 -2.090 -0.344 240 1HE MET 109 1HE MET 109 167.704 0.630 -2.723 241 2HE MET 109 2HE MET 109 168.860 1.670 -1.896 242 3HE MET 109 3HE MET 109 167.137 2.016 -1.783 243 H LEU 110 H LEU 110 172.494 -1.449 -3.141 244 HA LEU 110 HA LEU 110 173.014 1.102 -4.282 245 1HB LEU 110 2HB LEU 110 174.473 -0.951 -3.266 246 2HB LEU 110 1HB LEU 110 174.788 -1.191 -4.984 247 HG LEU 110 HG LEU 110 175.390 1.270 -5.112 248 1HD1 LEU 110 1HD1 LEU 110 174.289 2.058 -3.094 249 2HD1 LEU 110 2HD1 LEU 110 176.026 2.304 -2.911 250 3HD1 LEU 110 3HD1 LEU 110 175.236 0.952 -2.100 251 1HD2 LEU 110 1HD2 LEU 110 177.618 0.846 -4.518 252 2HD2 LEU 110 2HD2 LEU 110 176.979 -0.784 -4.737 253 3HD2 LEU 110 3HD2 LEU 110 177.160 -0.118 -3.113 254 H THR 111 H THR 111 172.641 -2.079 -5.796 255 HA THR 111 HA THR 111 173.018 -1.312 -8.533 256 HB THR 111 HB THR 111 171.179 -3.442 -7.397 257 HG1 THR 111 HG1 THR 111 172.956 -4.166 -6.567 258 1HG2 THR 111 1HG2 THR 111 170.899 -3.283 -9.761 259 2HG2 THR 111 2HG2 THR 111 171.995 -4.641 -9.498 260 3HG2 THR 111 3HG2 THR 111 172.632 -3.082 -10.023 261 H GLY 112 H GLY 112 170.290 -1.046 -6.357 262 1HA GLY 112 2HA GLY 112 168.413 -0.236 -8.481 263 2HA GLY 112 1HA GLY 112 168.035 -0.398 -6.767 264 H LEU 113 H LEU 113 170.736 1.242 -6.438 265 HA LEU 113 HA LEU 113 169.369 3.851 -6.274 266 1HB LEU 113 2HB LEU 113 171.006 2.368 -4.649 267 2HB LEU 113 1HB LEU 113 172.159 3.493 -5.367 268 HG LEU 113 HG LEU 113 169.574 4.279 -3.984 269 1HD1 LEU 113 1HD1 LEU 113 171.463 5.344 -2.445 270 2HD1 LEU 113 2HD1 LEU 113 172.419 4.013 -3.096 271 3HD1 LEU 113 3HD1 LEU 113 170.932 3.678 -2.207 272 1HD2 LEU 113 1HD2 LEU 113 170.219 5.874 -5.729 273 2HD2 LEU 113 2HD2 LEU 113 171.870 5.917 -5.110 274 3HD2 LEU 113 3HD2 LEU 113 170.549 6.573 -4.143 275 H GLY 114 H GLY 114 171.046 2.432 -8.764 276 1HA GLY 114 2HA GLY 114 171.762 3.756 -10.689 277 2HA GLY 114 1HA GLY 114 172.243 5.041 -9.578 278 H GLU 115 H GLU 115 172.907 1.674 -9.050 279 HA GLU 115 HA GLU 115 175.853 2.208 -9.375 280 1HB GLU 115 2HB GLU 115 174.804 1.661 -7.075 281 2HB GLU 115 1HB GLU 115 174.619 0.023 -7.706 282 1HG GLU 115 2HG GLU 115 176.723 -0.004 -6.619 283 2HG GLU 115 1HG GLU 115 177.112 0.171 -8.330 284 H LYS 116 H LYS 116 176.682 1.168 -11.157 285 HA LYS 116 HA LYS 116 175.492 -1.467 -11.869 286 1HB LYS 116 2HB LYS 116 176.444 0.810 -13.650 287 2HB LYS 116 1HB LYS 116 176.106 -0.805 -14.274 288 1HG LYS 116 2HG LYS 116 173.790 -0.649 -13.434 289 2HG LYS 116 1HG LYS 116 174.126 0.968 -12.814 290 1HD LYS 116 2HD LYS 116 174.636 1.744 -15.101 291 2HD LYS 116 1HD LYS 116 174.296 0.129 -15.723 292 1HE LYS 116 2HE LYS 116 171.975 0.279 -15.086 293 2HE LYS 116 1HE LYS 116 172.266 1.775 -14.177 294 1HZ LYS 116 1HZ LYS 116 172.970 2.856 -16.202 295 2HZ LYS 116 2HZ LYS 116 171.411 2.219 -16.421 296 3HZ LYS 116 3HZ LYS 116 172.757 1.427 -17.089 297 H LEU 117 H LEU 117 177.294 -1.746 -10.158 298 HA LEU 117 HA LEU 117 180.005 -1.986 -11.341 299 1HB LEU 117 2HB LEU 117 178.831 -2.548 -8.589 300 2HB LEU 117 1HB LEU 117 180.547 -2.599 -8.991 301 HG LEU 117 HG LEU 117 178.801 -0.149 -9.338 302 1HD1 LEU 117 1HD1 LEU 117 180.229 0.666 -7.364 303 2HD1 LEU 117 2HD1 LEU 117 180.633 -1.030 -7.101 304 3HD1 LEU 117 3HD1 LEU 117 178.957 -0.494 -6.988 305 1HD2 LEU 117 1HD2 LEU 117 180.640 0.035 -10.811 306 2HD2 LEU 117 2HD2 LEU 117 181.736 -0.760 -9.682 307 3HD2 LEU 117 3HD2 LEU 117 181.184 0.885 -9.365 308 H THR 118 H THR 118 180.976 -4.104 -11.576 309 HA THR 118 HA THR 118 178.991 -6.354 -11.609 310 HB THR 118 HB THR 118 180.760 -7.270 -13.267 311 HG1 THR 118 HG1 THR 118 182.058 -5.645 -14.165 312 1HG2 THR 118 1HG2 THR 118 178.864 -6.630 -14.390 313 2HG2 THR 118 2HG2 THR 118 179.942 -5.363 -14.977 314 3HG2 THR 118 3HG2 THR 118 178.836 -5.032 -13.645 315 H ASP 119 H ASP 119 179.575 -8.296 -10.474 316 HA ASP 119 HA ASP 119 181.051 -8.368 -8.203 317 1HB ASP 119 2HB ASP 119 179.646 -10.162 -9.242 318 2HB ASP 119 1HB ASP 119 181.018 -10.584 -10.267 319 H ALA 120 H ALA 120 182.496 -8.463 -11.429 320 HA ALA 120 HA ALA 120 185.146 -9.372 -10.743 321 1HB ALA 120 1HB ALA 120 185.561 -8.801 -12.934 322 2HB ALA 120 2HB ALA 120 184.739 -7.248 -12.790 323 3HB ALA 120 3HB ALA 120 183.801 -8.727 -13.004 324 H GLU 121 H GLU 121 183.826 -6.056 -11.116 325 HA GLU 121 HA GLU 121 186.186 -4.793 -9.955 326 1HB GLU 121 2HB GLU 121 183.398 -3.890 -10.722 327 2HB GLU 121 1HB GLU 121 184.630 -2.784 -10.119 328 1HG GLU 121 2HG GLU 121 186.131 -3.433 -11.962 329 2HG GLU 121 1HG GLU 121 184.909 -4.552 -12.565 330 H VAL 122 H VAL 122 182.862 -5.472 -8.850 331 HA VAL 122 HA VAL 122 183.004 -4.208 -6.277 332 HB VAL 122 HB VAL 122 181.468 -6.678 -7.167 333 1HG1 VAL 122 1HG1 VAL 122 179.812 -5.627 -5.439 334 2HG1 VAL 122 2HG1 VAL 122 181.237 -4.779 -4.834 335 3HG1 VAL 122 3HG1 VAL 122 181.192 -6.543 -4.832 336 1HG2 VAL 122 1HG2 VAL 122 180.248 -3.953 -7.081 337 2HG2 VAL 122 2HG2 VAL 122 179.906 -5.302 -8.164 338 3HG2 VAL 122 3HG2 VAL 122 181.334 -4.305 -8.425 339 H ASP 123 H ASP 123 184.033 -7.451 -7.339 340 HA ASP 123 HA ASP 123 184.527 -8.494 -4.710 341 1HB ASP 123 2HB ASP 123 184.383 -9.855 -6.776 342 2HB ASP 123 1HB ASP 123 185.851 -9.090 -7.385 343 H GLU 124 H GLU 124 186.518 -6.608 -6.960 344 HA GLU 124 HA GLU 124 189.016 -6.689 -5.562 345 1HB GLU 124 2HB GLU 124 187.667 -4.587 -7.283 346 2HB GLU 124 1HB GLU 124 189.360 -4.516 -6.800 347 1HG GLU 124 2HG GLU 124 188.130 -6.857 -8.279 348 2HG GLU 124 1HG GLU 124 188.996 -5.540 -9.071 349 H LEU 125 H LEU 125 186.308 -4.358 -5.353 350 HA LEU 125 HA LEU 125 187.386 -2.648 -3.344 351 1HB LEU 125 2HB LEU 125 184.703 -3.400 -4.430 352 2HB LEU 125 1HB LEU 125 184.751 -2.442 -2.952 353 HG LEU 125 HG LEU 125 186.146 -0.751 -4.073 354 1HD1 LEU 125 1HD1 LEU 125 187.314 -2.263 -5.650 355 2HD1 LEU 125 2HD1 LEU 125 186.564 -0.915 -6.503 356 3HD1 LEU 125 3HD1 LEU 125 185.805 -2.506 -6.528 357 1HD2 LEU 125 1HD2 LEU 125 183.724 -1.496 -5.735 358 2HD2 LEU 125 2HD2 LEU 125 184.441 0.110 -5.597 359 3HD2 LEU 125 3HD2 LEU 125 183.657 -0.629 -4.201 360 H LEU 126 H LEU 126 185.155 -5.421 -3.059 361 HA LEU 126 HA LEU 126 184.876 -5.479 -0.230 362 1HB LEU 126 2HB LEU 126 184.697 -7.500 -2.458 363 2HB LEU 126 1HB LEU 126 184.390 -7.967 -0.784 364 HG LEU 126 HG LEU 126 183.015 -5.578 -2.008 365 1HD1 LEU 126 1HD1 LEU 126 181.143 -7.015 -2.614 366 2HD1 LEU 126 2HD1 LEU 126 181.994 -8.435 -2.002 367 3HD1 LEU 126 3HD1 LEU 126 182.596 -7.593 -3.431 368 1HD2 LEU 126 1HD2 LEU 126 181.785 -7.401 0.004 369 2HD2 LEU 126 2HD2 LEU 126 181.701 -5.644 -0.119 370 3HD2 LEU 126 3HD2 LEU 126 183.139 -6.412 0.553 371 H LYS 127 H LYS 127 187.560 -6.420 -2.241 372 HA LYS 127 HA LYS 127 188.787 -8.474 -0.789 373 1HB LYS 127 2HB LYS 127 189.404 -7.447 -3.010 374 2HB LYS 127 1HB LYS 127 190.180 -6.138 -2.117 375 1HG LYS 127 2HG LYS 127 191.638 -7.774 -0.981 376 2HG LYS 127 1HG LYS 127 190.866 -9.083 -1.875 377 1HD LYS 127 2HD LYS 127 191.545 -7.810 -4.002 378 2HD LYS 127 1HD LYS 127 192.596 -6.855 -2.956 379 1HE LYS 127 2HE LYS 127 192.671 -9.888 -3.163 380 2HE LYS 127 1HE LYS 127 193.819 -8.785 -3.946 381 1HZ LYS 127 1HZ LYS 127 193.277 -9.016 -1.034 382 2HZ LYS 127 2HZ LYS 127 194.239 -7.802 -1.732 383 3HZ LYS 127 3HZ LYS 127 194.716 -9.428 -1.833 384 H GLY 128 H GLY 128 188.467 -5.087 0.067 385 1HA GLY 128 2HA GLY 128 190.379 -5.474 2.330 386 2HA GLY 128 1HA GLY 128 190.068 -3.913 1.575 387 H VAL 129 H VAL 129 187.064 -5.025 1.526 388 HA VAL 129 HA VAL 129 186.223 -3.550 3.877 389 HB VAL 129 HB VAL 129 184.753 -5.485 2.042 390 1HG1 VAL 129 1HG1 VAL 129 183.364 -5.194 3.933 391 2HG1 VAL 129 2HG1 VAL 129 182.784 -3.979 2.794 392 3HG1 VAL 129 3HG1 VAL 129 183.836 -3.506 4.128 393 1HG2 VAL 129 1HG2 VAL 129 185.357 -2.533 1.913 394 2HG2 VAL 129 2HG2 VAL 129 183.942 -3.201 1.099 395 3HG2 VAL 129 3HG2 VAL 129 185.557 -3.753 0.656 396 H GLU 130 H GLU 130 185.872 -4.230 5.873 397 HA GLU 130 HA GLU 130 186.372 -7.100 6.557 398 1HB GLU 130 2HB GLU 130 187.744 -5.253 7.516 399 2HB GLU 130 1HB GLU 130 186.283 -4.586 8.245 400 1HG GLU 130 2HG GLU 130 185.949 -6.682 9.503 401 2HG GLU 130 1HG GLU 130 187.411 -7.350 8.778 402 H VAL 131 H VAL 131 184.404 -8.138 6.398 403 HA VAL 131 HA VAL 131 181.927 -6.991 7.555 404 HB VAL 131 HB VAL 131 181.962 -8.313 5.449 405 1HG1 VAL 131 1HG1 VAL 131 183.155 -10.216 5.249 406 2HG1 VAL 131 2HG1 VAL 131 182.319 -10.942 6.622 407 3HG1 VAL 131 3HG1 VAL 131 183.758 -9.957 6.885 408 1HG2 VAL 131 1HG2 VAL 131 180.032 -9.550 5.928 409 2HG2 VAL 131 2HG2 VAL 131 180.070 -8.372 7.239 410 3HG2 VAL 131 3HG2 VAL 131 180.617 -10.023 7.522 411 H ASP 132 H ASP 132 180.786 -8.175 9.299 412 HA ASP 132 HA ASP 132 182.704 -9.190 11.323 413 1HB ASP 132 2HB ASP 132 179.821 -8.265 11.344 414 2HB ASP 132 1HB ASP 132 180.645 -8.874 12.780 415 H SER 133 H SER 133 181.452 -10.851 12.854 416 HA SER 133 HA SER 133 181.230 -13.338 11.391 417 1HB SER 133 2HB SER 133 180.941 -12.385 14.217 418 2HB SER 133 1HB SER 133 180.420 -14.017 13.815 419 HG SER 133 HG SER 133 182.490 -14.432 13.029 420 H ASN 134 H ASN 134 178.918 -10.900 11.676 421 HA ASN 134 HA ASN 134 176.625 -12.828 11.685 422 1HB ASN 134 2HB ASN 134 177.010 -10.674 13.234 423 2HB ASN 134 1HB ASN 134 176.330 -9.854 11.829 424 1HD2 ASN 134 1HD2 ASN 134 175.019 -10.213 14.474 425 2HD2 ASN 134 2HD2 ASN 134 173.595 -11.089 14.179 426 H GLY 135 H GLY 135 178.538 -10.866 9.613 427 1HA GLY 135 2HA GLY 135 178.346 -10.806 7.239 428 2HA GLY 135 1HA GLY 135 176.708 -11.441 7.379 429 H GLU 136 H GLU 136 177.734 -8.725 9.319 430 HA GLU 136 HA GLU 136 175.863 -6.980 7.759 431 1HB GLU 136 2HB GLU 136 176.755 -7.068 10.652 432 2HB GLU 136 1HB GLU 136 175.784 -5.753 9.988 433 1HG GLU 136 2HG GLU 136 174.050 -7.373 9.306 434 2HG GLU 136 1HG GLU 136 175.016 -8.688 9.973 435 H ILE 137 H ILE 137 176.548 -5.040 7.010 436 HA ILE 137 HA ILE 137 179.331 -4.139 7.669 437 HB ILE 137 HB ILE 137 177.947 -4.274 4.968 438 1HG1 ILE 137 2HG1 ILE 137 180.129 -5.735 4.620 439 2HG1 ILE 137 1HG1 ILE 137 180.035 -5.912 6.371 440 1HG2 ILE 137 1HG2 ILE 137 180.505 -3.715 4.371 441 2HG2 ILE 137 2HG2 ILE 137 180.415 -2.906 5.935 442 3HG2 ILE 137 3HG2 ILE 137 179.311 -2.444 4.640 443 1HD1 ILE 137 1HD1 ILE 137 178.475 -7.509 6.094 444 2HD1 ILE 137 2HD1 ILE 137 178.494 -7.255 4.352 445 3HD1 ILE 137 3HD1 ILE 137 177.404 -6.312 5.367 446 H ASP 138 H ASP 138 179.534 -1.930 7.912 447 HA ASP 138 HA ASP 138 177.174 -0.372 8.482 448 1HB ASP 138 2HB ASP 138 179.592 -0.208 9.381 449 2HB ASP 138 1HB ASP 138 179.943 0.712 7.918 450 H TYR 139 H TYR 139 175.833 0.326 6.848 451 HA TYR 139 HA TYR 139 176.512 0.534 4.089 452 1HB TYR 139 2HB TYR 139 174.283 1.370 3.875 453 2HB TYR 139 1HB TYR 139 174.249 0.259 5.238 454 HD1 TYR 139 HD1 TYR 139 173.846 3.703 4.145 455 HD2 TYR 139 HD2 TYR 139 174.233 1.172 7.595 456 HE1 TYR 139 HE1 TYR 139 172.990 5.531 5.582 457 HE2 TYR 139 HE2 TYR 139 173.382 3.005 9.030 458 HH TYR 139 HH TYR 139 173.160 5.401 9.015 459 H LYS 140 H LYS 140 176.598 2.962 6.672 460 HA LYS 140 HA LYS 140 176.861 5.241 4.948 461 1HB LYS 140 2HB LYS 140 176.841 4.591 7.772 462 2HB LYS 140 1HB LYS 140 178.108 5.771 7.445 463 1HG LYS 140 2HG LYS 140 176.474 7.209 6.282 464 2HG LYS 140 1HG LYS 140 175.204 6.031 6.612 465 1HD LYS 140 2HD LYS 140 175.562 6.318 9.037 466 2HD LYS 140 1HD LYS 140 176.831 7.499 8.709 467 1HE LYS 140 2HE LYS 140 175.219 8.990 7.623 468 2HE LYS 140 1HE LYS 140 173.931 7.788 7.842 469 1HZ LYS 140 1HZ LYS 140 173.835 9.305 9.670 470 2HZ LYS 140 2HZ LYS 140 175.498 9.135 9.975 471 3HZ LYS 140 3HZ LYS 140 174.444 7.833 10.253 472 H LYS 141 H LYS 141 179.187 3.051 6.455 473 HA LYS 141 HA LYS 141 181.566 4.575 5.874 474 1HB LYS 141 2HB LYS 141 181.001 1.657 6.455 475 2HB LYS 141 1HB LYS 141 182.634 2.315 6.328 476 1HG LYS 141 2HG LYS 141 182.042 3.980 8.105 477 2HG LYS 141 1HG LYS 141 180.491 3.163 8.296 478 1HD LYS 141 2HD LYS 141 181.679 1.054 8.830 479 2HD LYS 141 1HD LYS 141 183.220 1.899 8.684 480 1HE LYS 141 2HE LYS 141 182.080 3.557 10.440 481 2HE LYS 141 1HE LYS 141 181.155 2.095 10.841 482 1HZ LYS 141 1HZ LYS 141 183.151 2.025 12.108 483 2HZ LYS 141 2HZ LYS 141 184.109 2.392 10.754 484 3HZ LYS 141 3HZ LYS 141 183.324 0.889 10.860 485 H PHE 142 H PHE 142 179.992 1.849 4.170 486 HA PHE 142 HA PHE 142 182.019 1.722 2.129 487 1HB PHE 142 2HB PHE 142 180.399 -0.086 2.963 488 2HB PHE 142 1HB PHE 142 179.176 0.690 1.956 489 HD1 PHE 142 HD1 PHE 142 178.832 -0.450 -0.039 490 HD2 PHE 142 HD2 PHE 142 182.820 -0.116 1.520 491 HE1 PHE 142 HE1 PHE 142 179.713 -1.665 -2.024 492 HE2 PHE 142 HE2 PHE 142 183.699 -1.324 -0.458 493 HZ PHE 142 HZ PHE 142 182.146 -2.099 -2.229 494 H ILE 143 H ILE 143 179.026 3.530 2.476 495 HA ILE 143 HA ILE 143 178.856 4.291 -0.370 496 HB ILE 143 HB ILE 143 177.472 5.105 2.208 497 1HG1 ILE 143 2HG1 ILE 143 177.113 2.762 1.405 498 2HG1 ILE 143 1HG1 ILE 143 175.637 3.722 1.430 499 1HG2 ILE 143 1HG2 ILE 143 177.363 6.946 0.582 500 2HG2 ILE 143 2HG2 ILE 143 175.780 6.197 0.783 501 3HG2 ILE 143 3HG2 ILE 143 176.751 5.836 -0.645 502 1HD1 ILE 143 1HD1 ILE 143 175.360 3.523 -0.802 503 2HD1 ILE 143 2HD1 ILE 143 176.604 2.273 -0.742 504 3HD1 ILE 143 3HD1 ILE 143 177.045 3.938 -1.124 505 H GLU 144 H GLU 144 179.546 6.007 2.706 506 HA GLU 144 HA GLU 144 180.282 8.502 1.498 507 1HB GLU 144 2HB GLU 144 180.970 7.133 4.110 508 2HB GLU 144 1HB GLU 144 181.401 8.807 3.761 509 1HG GLU 144 2HG GLU 144 179.021 9.347 3.384 510 2HG GLU 144 1HG GLU 144 178.587 7.676 3.740 511 H ASP 145 H ASP 145 182.107 5.522 1.983 512 HA ASP 145 HA ASP 145 184.655 6.880 1.377 513 1HB ASP 145 2HB ASP 145 184.450 5.026 3.063 514 2HB ASP 145 1HB ASP 145 184.004 3.933 1.752 515 H VAL 146 H VAL 146 182.121 5.463 -0.439 516 HA VAL 146 HA VAL 146 183.919 4.891 -2.748 517 HB VAL 146 HB VAL 146 180.987 4.414 -2.104 518 1HG1 VAL 146 1HG1 VAL 146 182.475 4.061 -4.717 519 2HG1 VAL 146 2HG1 VAL 146 180.937 4.880 -4.444 520 3HG1 VAL 146 3HG1 VAL 146 181.032 3.122 -4.333 521 1HG2 VAL 146 1HG2 VAL 146 183.203 2.475 -2.815 522 2HG2 VAL 146 2HG2 VAL 146 181.613 2.088 -2.157 523 3HG2 VAL 146 3HG2 VAL 146 182.803 2.923 -1.157 524 H LEU 147 H LEU 147 181.305 6.978 -1.640 525 HA LEU 147 HA LEU 147 180.814 8.569 -3.974 526 1HB LEU 147 2HB LEU 147 180.592 8.872 -0.999 527 2HB LEU 147 1HB LEU 147 180.343 10.289 -2.020 528 HG LEU 147 HG LEU 147 178.901 7.655 -2.423 529 1HD1 LEU 147 1HD1 LEU 147 177.786 10.191 -1.202 530 2HD1 LEU 147 2HD1 LEU 147 178.396 8.852 -0.230 531 3HD1 LEU 147 3HD1 LEU 147 177.013 8.609 -1.297 532 1HD2 LEU 147 1HD2 LEU 147 177.369 9.567 -3.565 533 2HD2 LEU 147 2HD2 LEU 147 178.639 8.718 -4.444 534 3HD2 LEU 147 3HD2 LEU 147 178.954 10.313 -3.764 535 H ARG 148 H ARG 148 183.599 8.514 -1.886 536 HA ARG 148 HA ARG 148 184.579 11.160 -2.197 537 1HB ARG 148 2HB ARG 148 185.769 8.429 -1.802 538 2HB ARG 148 1HB ARG 148 186.841 9.807 -2.050 539 1HG ARG 148 2HG ARG 148 185.747 10.990 -0.173 540 2HG ARG 148 1HG ARG 148 184.696 9.596 0.085 541 1HD ARG 148 2HD ARG 148 186.518 8.214 0.766 542 2HD ARG 148 1HD ARG 148 187.718 9.363 0.141 543 HE ARG 148 HE ARG 148 186.312 10.891 1.943 544 1HH1 ARG 148 2HH1 ARG 148 185.746 8.167 3.236 545 2HH1 ARG 148 1HH1 ARG 148 187.021 8.093 4.405 546 1HH2 ARG 148 1HH2 ARG 148 188.862 10.647 2.952 547 2HH2 ARG 148 2HH2 ARG 148 188.785 9.496 4.245 548 H GLN 149 HN GLN 149 185.340 12.234 -3.988 549 HA GLN 149 HA GLN 149 185.862 10.651 -6.480 550 1HB GLN 149 2HB GLN 149 184.926 13.481 -5.930 551 2HB GLN 149 1HB GLN 149 185.358 12.912 -7.543 552 1HG GLN 149 2HG GLN 149 183.643 11.191 -7.451 553 2HG GLN 149 1HG GLN 149 183.270 11.602 -5.778 554 1HE2 GLN 149 1HE2 GLN 149 181.015 12.074 -6.548 555 2HE2 GLN 149 2HE2 GLN 149 180.688 13.557 -7.307
Contact the webmaster for help, if required. Friday, May 17, 2024 7:06:28 AM GMT (wattos1)