NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20469 | 2fry | 7036 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 16.860 -8.221 3.311 2 2H GLY 1 2HT GLY 1 15.341 -7.484 3.398 3 3H GLY 1 3HT GLY 1 16.591 -6.741 2.536 4 1HA GLY 1 1HA GLY 1 16.594 -8.470 0.896 5 2HA GLY 1 2HA GLY 1 15.403 -9.365 1.825 6 H SER 2 H SER 2 13.253 -8.824 1.685 7 HA SER 2 HA SER 2 12.595 -6.861 -0.404 8 1HB SER 2 2HB SER 2 11.565 -9.513 0.266 9 2HB SER 2 1HB SER 2 10.276 -8.314 0.090 10 HG SER 2 HG SER 2 11.491 -9.561 -1.833 11 H HIS 3 H HIS 3 11.718 -4.999 0.217 12 HA HIS 3 HA HIS 3 10.754 -4.690 2.928 13 1HB HIS 3 2HB HIS 3 10.107 -2.326 1.832 14 2HB HIS 3 1HB HIS 3 11.721 -2.694 2.417 15 HD1 HIS 3 1HD HIS 3 9.750 -2.324 -0.761 16 HD2 HIS 3 2HD HIS 3 13.694 -2.780 0.464 17 HE1 HIS 3 1HE HIS 3 11.143 -1.900 -2.811 18 HE2 HIS 3 2HE HIS 3 13.523 -2.255 -2.064 19 H VAL 4 H VAL 4 8.715 -4.910 3.548 20 HA VAL 4 HA VAL 4 6.639 -4.845 1.458 21 HB VAL 4 HB VAL 4 5.977 -6.602 3.682 22 1HG1 VAL 4 1HG1 VAL 4 6.118 -6.926 0.687 23 2HG1 VAL 4 2HG1 VAL 4 4.687 -6.576 1.656 24 3HG1 VAL 4 3HG1 VAL 4 5.480 -8.147 1.786 25 1HG2 VAL 4 1HG2 VAL 4 8.274 -7.455 1.926 26 2HG2 VAL 4 2HG2 VAL 4 7.488 -8.406 3.186 27 3HG2 VAL 4 3HG2 VAL 4 8.427 -6.979 3.617 28 H VAL 5 H VAL 5 4.423 -4.602 2.379 29 HA VAL 5 HA VAL 5 4.441 -2.992 4.824 30 HB VAL 5 HB VAL 5 4.181 -1.162 3.601 31 1HG1 VAL 5 1HG1 VAL 5 4.282 -1.095 1.370 32 2HG1 VAL 5 2HG1 VAL 5 2.955 -2.230 1.157 33 3HG1 VAL 5 3HG1 VAL 5 4.571 -2.818 1.530 34 1HG2 VAL 5 1HG2 VAL 5 1.930 -0.581 2.868 35 2HG2 VAL 5 2HG2 VAL 5 1.928 -1.358 4.452 36 3HG2 VAL 5 3HG2 VAL 5 1.450 -2.271 3.019 37 H GLN 6 H GLN 6 2.435 -2.783 5.907 38 HA GLN 6 HA GLN 6 0.455 -4.864 5.252 39 1HB GLN 6 2HB GLN 6 2.304 -5.162 7.251 40 2HB GLN 6 1HB GLN 6 0.958 -4.432 8.122 41 1HG GLN 6 2HG GLN 6 -0.469 -6.209 7.673 42 2HG GLN 6 1HG GLN 6 0.524 -6.790 6.337 43 1HE2 GLN 6 1HE2 GLN 6 0.217 -8.841 7.516 44 2HE2 GLN 6 2HE2 GLN 6 1.336 -9.233 8.773 45 H THR 7 H THR 7 -1.712 -4.487 6.128 46 HA THR 7 HA THR 7 -2.082 -1.626 6.785 47 HB THR 7 HB THR 7 -4.546 -2.273 6.072 48 HG1 THR 7 1HG THR 7 -2.911 -4.062 4.599 49 1HG2 THR 7 1HG2 THR 7 -4.109 -1.472 3.840 50 2HG2 THR 7 2HG2 THR 7 -2.383 -1.756 4.053 51 3HG2 THR 7 3HG2 THR 7 -3.200 -0.533 5.020 52 H LEU 8 H LEU 8 -3.930 -1.080 8.101 53 HA LEU 8 HA LEU 8 -4.625 -3.125 10.082 54 1HB LEU 8 2HB LEU 8 -4.574 -0.865 11.587 55 2HB LEU 8 1HB LEU 8 -3.296 -2.058 11.533 56 HG LEU 8 HG LEU 8 -2.439 0.234 11.367 57 1HD1 LEU 8 1HD1 LEU 8 -1.508 -1.851 10.075 58 2HD1 LEU 8 2HD1 LEU 8 -0.817 -0.243 9.859 59 3HD1 LEU 8 3HD1 LEU 8 -1.945 -0.882 8.670 60 1HD2 LEU 8 1HD2 LEU 8 -4.608 0.854 9.962 61 2HD2 LEU 8 2HD2 LEU 8 -3.484 0.588 8.634 62 3HD2 LEU 8 3HD2 LEU 8 -3.112 1.782 9.871 63 H TYR 9 H TYR 9 -5.448 -0.116 8.462 64 HA TYR 9 HA TYR 9 -8.243 -0.482 9.311 65 1HB TYR 9 2HB TYR 9 -6.740 2.104 8.844 66 2HB TYR 9 1HB TYR 9 -8.476 2.004 9.111 67 HD1 TYR 9 1HD TYR 9 -6.007 3.301 10.721 68 HD2 TYR 9 2HD TYR 9 -8.530 -0.082 11.259 69 HE1 TYR 9 1HE TYR 9 -5.629 3.412 13.148 70 HE2 TYR 9 2HE TYR 9 -8.160 0.020 13.687 71 HH TYR 9 HH TYR 9 -7.311 2.367 15.323 72 HA PRO 10 HA PRO 10 -8.801 -0.802 4.862 73 1HB PRO 10 2HB PRO 10 -11.492 -1.117 4.887 74 2HB PRO 10 1HB PRO 10 -10.381 -2.425 5.309 75 1HG PRO 10 2HG PRO 10 -11.929 -0.600 7.107 76 2HG PRO 10 1HG PRO 10 -11.668 -2.348 7.243 77 1HD PRO 10 2HD PRO 10 -10.258 -0.533 8.687 78 2HD PRO 10 1HD PRO 10 -9.579 -2.091 8.175 79 H PHE 11 H PHE 11 -8.201 1.663 5.446 80 HA PHE 11 HA PHE 11 -10.444 3.449 5.078 81 1HB PHE 11 2HB PHE 11 -7.594 3.756 5.822 82 2HB PHE 11 1HB PHE 11 -8.371 5.116 5.019 83 HD1 PHE 11 1HD PHE 11 -10.770 5.707 6.003 84 HD2 PHE 11 2HD PHE 11 -7.667 3.701 8.115 85 HE1 PHE 11 1HE PHE 11 -11.774 6.408 8.136 86 HE2 PHE 11 2HE PHE 11 -8.667 4.397 10.252 87 HZ PHE 11 HZ PHE 11 -10.724 5.752 10.265 88 H SER 12 H SER 12 -10.558 5.021 3.455 89 HA SER 12 HA SER 12 -9.727 4.019 0.848 90 1HB SER 12 2HB SER 12 -11.796 5.900 1.881 91 2HB SER 12 1HB SER 12 -11.358 5.943 0.170 92 HG SER 12 HG SER 12 -13.140 4.512 0.706 93 H SER 13 H SER 13 -8.834 5.337 -0.765 94 HA SER 13 HA SER 13 -7.035 7.409 0.215 95 1HB SER 13 2HB SER 13 -7.205 5.700 -2.224 96 2HB SER 13 1HB SER 13 -6.416 7.270 -2.384 97 HG SER 13 HG SER 13 -5.675 5.047 -0.840 98 H VAL 14 H VAL 14 -6.754 9.361 -1.392 99 HA VAL 14 HA VAL 14 -9.405 10.212 -2.333 100 HB VAL 14 HB VAL 14 -8.935 12.500 -1.468 101 1HG1 VAL 14 1HG1 VAL 14 -8.894 10.719 0.902 102 2HG1 VAL 14 2HG1 VAL 14 -10.178 10.477 -0.281 103 3HG1 VAL 14 3HG1 VAL 14 -9.984 12.046 0.500 104 1HG2 VAL 14 1HG2 VAL 14 -7.275 12.436 0.536 105 2HG2 VAL 14 2HG2 VAL 14 -6.659 12.668 -1.100 106 3HG2 VAL 14 3HG2 VAL 14 -6.560 11.081 -0.337 107 H THR 15 H THR 15 -5.969 11.269 -2.365 108 HA THR 15 HA THR 15 -6.046 12.994 -4.462 109 HB THR 15 HB THR 15 -3.821 12.997 -4.329 110 HG1 THR 15 1HG THR 15 -2.869 11.493 -5.393 111 1HG2 THR 15 1HG2 THR 15 -4.076 10.822 -2.287 112 2HG2 THR 15 2HG2 THR 15 -4.366 12.532 -1.976 113 3HG2 THR 15 3HG2 THR 15 -2.760 11.981 -2.453 114 H GLU 16 H GLU 16 -5.390 12.816 -6.706 115 HA GLU 16 HA GLU 16 -6.930 10.871 -8.084 116 1HB GLU 16 2HB GLU 16 -5.693 13.344 -8.683 117 2HB GLU 16 1HB GLU 16 -5.073 12.172 -9.837 118 1HG GLU 16 2HG GLU 16 -7.814 11.689 -9.716 119 2HG GLU 16 1HG GLU 16 -7.651 13.444 -9.708 120 H GLU 17 H GLU 17 -3.528 11.127 -7.293 121 HA GLU 17 HA GLU 17 -2.817 8.934 -9.067 122 1HB GLU 17 2HB GLU 17 -0.998 10.105 -6.976 123 2HB GLU 17 1HB GLU 17 -0.571 9.314 -8.485 124 1HG GLU 17 2HG GLU 17 -0.157 11.463 -9.040 125 2HG GLU 17 1HG GLU 17 -1.845 11.352 -9.540 126 H GLU 18 H GLU 18 -4.710 8.538 -6.793 127 HA GLU 18 HA GLU 18 -3.171 6.594 -5.242 128 1HB GLU 18 2HB GLU 18 -5.830 7.832 -4.569 129 2HB GLU 18 1HB GLU 18 -4.911 6.719 -3.567 130 1HG GLU 18 2HG GLU 18 -3.201 8.872 -4.207 131 2HG GLU 18 1HG GLU 18 -4.748 9.559 -3.718 132 H LEU 19 H LEU 19 -4.906 4.925 -4.291 133 HA LEU 19 HA LEU 19 -6.560 3.903 -6.477 134 1HB LEU 19 2HB LEU 19 -4.077 2.781 -5.558 135 2HB LEU 19 1HB LEU 19 -5.389 1.665 -5.229 136 HG LEU 19 HG LEU 19 -6.053 1.991 -7.662 137 1HD1 LEU 19 1HD1 LEU 19 -4.785 3.099 -9.117 138 2HD1 LEU 19 2HD1 LEU 19 -3.282 2.631 -8.322 139 3HD1 LEU 19 3HD1 LEU 19 -4.241 3.961 -7.680 140 1HD2 LEU 19 1HD2 LEU 19 -4.987 0.067 -8.140 141 2HD2 LEU 19 2HD2 LEU 19 -4.557 0.138 -6.430 142 3HD2 LEU 19 3HD2 LEU 19 -3.418 0.702 -7.649 143 H ASN 20 H ASN 20 -8.441 2.956 -5.803 144 HA ASN 20 HA ASN 20 -8.804 2.792 -2.881 145 1HB ASN 20 2HB ASN 20 -11.319 2.991 -3.593 146 2HB ASN 20 1HB ASN 20 -10.311 4.430 -3.501 147 1HD2 ASN 20 1HD2 ASN 20 -11.168 1.890 -5.829 148 2HD2 ASN 20 2HD2 ASN 20 -11.339 2.951 -7.182 149 H PHE 21 H PHE 21 -8.421 0.738 -2.424 150 HA PHE 21 HA PHE 21 -10.200 -1.308 -3.564 151 1HB PHE 21 2HB PHE 21 -7.248 -1.672 -2.988 152 2HB PHE 21 1HB PHE 21 -8.357 -2.945 -3.483 153 HD1 PHE 21 1HD PHE 21 -5.785 -2.157 -4.870 154 HD2 PHE 21 2HD PHE 21 -9.820 -0.956 -5.475 155 HE1 PHE 21 1HE PHE 21 -5.288 -1.665 -7.222 156 HE2 PHE 21 2HE PHE 21 -9.326 -0.448 -7.827 157 HZ PHE 21 HZ PHE 21 -7.053 -0.805 -8.707 158 H GLU 22 H GLU 22 -10.415 -3.206 -1.984 159 HA GLU 22 HA GLU 22 -10.639 -2.092 0.667 160 1HB GLU 22 2HB GLU 22 -12.464 -3.417 0.350 161 2HB GLU 22 1HB GLU 22 -11.626 -4.489 -0.759 162 1HG GLU 22 2HG GLU 22 -12.342 -5.611 1.297 163 2HG GLU 22 1HG GLU 22 -10.596 -5.648 1.068 164 H LYS 23 H LYS 23 -8.647 -1.798 1.498 165 HA LYS 23 HA LYS 23 -6.601 -3.796 1.397 166 1HB LYS 23 2HB LYS 23 -6.767 -1.032 2.054 167 2HB LYS 23 1HB LYS 23 -6.023 -1.872 3.403 168 1HG LYS 23 2HG LYS 23 -5.122 -2.057 0.536 169 2HG LYS 23 1HG LYS 23 -4.386 -1.033 1.771 170 1HD LYS 23 2HD LYS 23 -4.233 -3.302 3.085 171 2HD LYS 23 1HD LYS 23 -4.323 -3.998 1.473 172 1HE LYS 23 2HE LYS 23 -2.346 -2.937 0.786 173 2HE LYS 23 1HE LYS 23 -2.369 -1.824 2.150 174 1HZ LYS 23 1HZ LYS 23 -2.252 -4.639 2.841 175 2HZ LYS 23 2HZ LYS 23 -1.413 -3.328 3.500 176 3HZ LYS 23 3HZ LYS 23 -0.880 -4.033 2.062 177 H GLY 24 H GLY 24 -5.850 -5.108 3.039 178 1HA GLY 24 2HA GLY 24 -6.996 -5.013 5.674 179 2HA GLY 24 1HA GLY 24 -7.611 -6.352 4.716 180 H GLU 25 H GLU 25 -5.257 -6.926 3.286 181 HA GLU 25 HA GLU 25 -3.749 -8.257 5.373 182 1HB GLU 25 2HB GLU 25 -4.780 -9.200 3.061 183 2HB GLU 25 1HB GLU 25 -3.146 -8.810 2.536 184 1HG GLU 25 2HG GLU 25 -2.470 -10.075 4.711 185 2HG GLU 25 1HG GLU 25 -4.077 -10.786 4.541 186 H THR 26 H THR 26 -1.482 -8.618 3.416 187 HA THR 26 HA THR 26 -0.213 -6.033 3.955 188 HB THR 26 HB THR 26 1.642 -7.090 4.607 189 HG1 THR 26 1HG THR 26 2.471 -7.805 2.766 190 1HG2 THR 26 1HG2 THR 26 -0.326 -8.525 5.558 191 2HG2 THR 26 2HG2 THR 26 1.350 -9.034 5.762 192 3HG2 THR 26 3HG2 THR 26 0.353 -9.764 4.502 193 H MET 27 H MET 27 1.039 -5.025 2.482 194 HA MET 27 HA MET 27 1.101 -6.038 -0.265 195 1HB MET 27 2HB MET 27 0.132 -3.329 0.647 196 2HB MET 27 1HB MET 27 0.734 -3.598 -0.982 197 1HG MET 27 2HG MET 27 -1.603 -5.001 0.292 198 2HG MET 27 1HG MET 27 -1.687 -3.714 -0.910 199 1HE MET 27 1HE MET 27 -1.233 -7.971 -0.962 200 2HE MET 27 2HE MET 27 -2.707 -7.467 -1.790 201 3HE MET 27 3HE MET 27 -2.333 -6.831 -0.187 202 H GLU 28 H GLU 28 2.773 -4.775 -1.554 203 HA GLU 28 HA GLU 28 5.008 -4.069 0.233 204 1HB GLU 28 2HB GLU 28 5.536 -4.841 -2.574 205 2HB GLU 28 1HB GLU 28 6.488 -5.132 -1.136 206 1HG GLU 28 2HG GLU 28 4.534 -6.751 -0.522 207 2HG GLU 28 1HG GLU 28 4.216 -6.696 -2.255 208 H VAL 29 H VAL 29 5.674 -2.064 0.185 209 HA VAL 29 HA VAL 29 4.770 -0.301 -1.941 210 HB VAL 29 HB VAL 29 5.773 0.089 0.837 211 1HG1 VAL 29 1HG1 VAL 29 5.813 2.565 0.389 212 2HG1 VAL 29 2HG1 VAL 29 5.893 2.166 -1.328 213 3HG1 VAL 29 3HG1 VAL 29 7.181 1.647 -0.239 214 1HG2 VAL 29 1HG2 VAL 29 3.589 1.653 -0.406 215 2HG2 VAL 29 2HG2 VAL 29 3.724 0.981 1.220 216 3HG2 VAL 29 3HG2 VAL 29 3.323 -0.070 -0.138 217 H ILE 30 H ILE 30 5.997 0.411 -3.494 218 HA ILE 30 HA ILE 30 8.813 -0.327 -3.586 219 HB ILE 30 HB ILE 30 8.521 0.809 -5.952 220 1HG1 ILE 30 2HG1 ILE 30 6.066 1.393 -5.073 221 2HG1 ILE 30 1HG1 ILE 30 6.397 1.083 -6.763 222 1HG2 ILE 30 1HG2 ILE 30 7.907 -1.360 -6.874 223 2HG2 ILE 30 2HG2 ILE 30 7.363 -1.890 -5.283 224 3HG2 ILE 30 3HG2 ILE 30 9.067 -1.530 -5.557 225 1HD1 ILE 30 1HD1 ILE 30 4.405 -0.072 -6.106 226 2HD1 ILE 30 2HD1 ILE 30 5.257 -0.861 -4.780 227 3HD1 ILE 30 3HD1 ILE 30 5.672 -1.247 -6.449 228 H GLU 31 H GLU 31 6.778 2.552 -3.673 229 HA GLU 31 HA GLU 31 9.081 4.306 -3.883 230 1HB GLU 31 2HB GLU 31 7.023 4.848 -5.102 231 2HB GLU 31 1HB GLU 31 6.138 4.928 -3.586 232 1HG GLU 31 2HG GLU 31 7.615 6.796 -2.889 233 2HG GLU 31 1HG GLU 31 8.346 6.755 -4.492 234 H LYS 32 H LYS 32 10.203 4.909 -2.161 235 HA LYS 32 HA LYS 32 8.929 4.795 0.476 236 1HB LYS 32 2HB LYS 32 11.685 4.431 -0.519 237 2HB LYS 32 1HB LYS 32 11.545 5.288 1.009 238 1HG LYS 32 2HG LYS 32 11.869 2.879 1.312 239 2HG LYS 32 1HG LYS 32 10.336 3.439 1.983 240 1HD LYS 32 2HD LYS 32 10.028 1.343 0.788 241 2HD LYS 32 1HD LYS 32 9.179 2.652 -0.036 242 1HE LYS 32 2HE LYS 32 10.490 1.046 -1.500 243 2HE LYS 32 1HE LYS 32 10.792 2.766 -1.743 244 1HZ LYS 32 1HZ LYS 32 12.815 2.615 -0.536 245 2HZ LYS 32 2HZ LYS 32 12.821 1.351 -1.660 246 3HZ LYS 32 3HZ LYS 32 12.486 1.032 -0.033 247 HA PRO 33 HA PRO 33 8.993 9.194 0.797 248 1HB PRO 33 2HB PRO 33 9.120 9.181 3.656 249 2HB PRO 33 1HB PRO 33 7.689 9.312 2.633 250 1HG PRO 33 2HG PRO 33 8.269 7.158 4.265 251 2HG PRO 33 1HG PRO 33 7.177 7.107 2.870 252 1HD PRO 33 2HD PRO 33 10.031 6.232 3.080 253 2HD PRO 33 1HD PRO 33 8.678 5.482 2.204 254 H GLU 34 H GLU 34 11.738 7.535 1.313 255 HA GLU 34 HA GLU 34 13.198 9.635 2.694 256 1HB GLU 34 2HB GLU 34 15.172 7.979 1.979 257 2HB GLU 34 1HB GLU 34 14.180 7.717 3.403 258 1HG GLU 34 2HG GLU 34 14.491 5.668 2.144 259 2HG GLU 34 1HG GLU 34 12.797 6.147 2.176 260 H ASN 35 H ASN 35 12.717 8.435 -0.536 261 HA ASN 35 HA ASN 35 14.495 10.561 -1.539 262 1HB ASN 35 2HB ASN 35 13.880 7.938 -2.917 263 2HB ASN 35 1HB ASN 35 14.995 9.183 -3.475 264 1HD2 ASN 35 1HD2 ASN 35 15.729 6.530 -3.111 265 2HD2 ASN 35 2HD2 ASN 35 16.867 6.441 -1.815 266 H ASP 36 H ASP 36 11.495 8.789 -1.944 267 HA ASP 36 HA ASP 36 10.601 10.645 -4.018 268 1HB ASP 36 2HB ASP 36 9.821 7.921 -3.146 269 2HB ASP 36 1HB ASP 36 8.517 8.955 -3.722 270 HA PRO 37 HA PRO 37 7.862 13.228 -1.757 271 1HB PRO 37 2HB PRO 37 5.348 12.199 -2.617 272 2HB PRO 37 1HB PRO 37 6.204 13.612 -3.235 273 1HG PRO 37 2HG PRO 37 6.091 10.854 -4.306 274 2HG PRO 37 1HG PRO 37 6.341 12.385 -5.160 275 1HD PRO 37 2HD PRO 37 8.347 10.647 -4.769 276 2HD PRO 37 1HD PRO 37 8.617 12.402 -4.722 277 H GLU 38 H GLU 38 5.854 13.161 -0.283 278 HA GLU 38 HA GLU 38 6.350 11.264 1.760 279 1HB GLU 38 2HB GLU 38 4.975 13.714 1.503 280 2HB GLU 38 1HB GLU 38 3.805 12.547 2.104 281 1HG GLU 38 2HG GLU 38 4.626 13.130 4.102 282 2HG GLU 38 1HG GLU 38 5.904 11.986 3.695 283 H TRP 39 H TRP 39 4.662 10.838 -1.077 284 HA TRP 39 HA TRP 39 2.771 8.948 0.143 285 1HB TRP 39 2HB TRP 39 2.556 9.414 -2.755 286 2HB TRP 39 1HB TRP 39 1.300 9.394 -1.524 287 HD1 TRP 39 HD TRP 39 1.301 11.787 0.058 288 HE1 TRP 39 1HE TRP 39 1.506 14.202 -0.811 289 HE3 TRP 39 3HE TRP 39 3.418 10.834 -4.497 290 HZ2 TRP 39 2HZ TRP 39 2.440 15.527 -3.123 291 HZ3 TRP 39 3HZ TRP 39 3.936 12.730 -5.978 292 HH2 TRP 39 HH TRP 39 3.456 15.028 -5.303 293 H TRP 40 H TRP 40 2.678 6.802 -0.532 294 HA TRP 40 HA TRP 40 4.893 5.919 -2.251 295 1HB TRP 40 2HB TRP 40 5.092 3.884 -0.874 296 2HB TRP 40 1HB TRP 40 5.475 5.341 0.024 297 HD1 TRP 40 HD TRP 40 1.802 4.457 -0.402 298 HE1 TRP 40 1HE TRP 40 0.845 3.687 1.861 299 HE3 TRP 40 3HE TRP 40 6.146 4.199 2.249 300 HZ2 TRP 40 2HZ TRP 40 1.829 3.049 4.425 301 HZ3 TRP 40 3HZ TRP 40 6.058 3.507 4.604 302 HH2 TRP 40 HH TRP 40 3.934 2.949 5.671 303 H LYS 41 H LYS 41 4.469 3.586 -3.071 304 HA LYS 41 HA LYS 41 1.647 3.068 -3.496 305 1HB LYS 41 2HB LYS 41 2.027 2.835 -5.961 306 2HB LYS 41 1HB LYS 41 2.011 4.473 -5.338 307 1HG LYS 41 2HG LYS 41 3.814 4.580 -6.696 308 2HG LYS 41 1HG LYS 41 4.611 4.080 -5.213 309 1HD LYS 41 2HD LYS 41 5.494 2.637 -6.786 310 2HD LYS 41 1HD LYS 41 4.180 1.707 -6.079 311 1HE LYS 41 2HE LYS 41 4.618 2.297 -8.792 312 2HE LYS 41 1HE LYS 41 3.270 1.421 -8.071 313 1HZ LYS 41 1HZ LYS 41 3.423 4.347 -8.580 314 2HZ LYS 41 2HZ LYS 41 2.156 3.590 -7.756 315 3HZ LYS 41 3HZ LYS 41 2.439 3.228 -9.381 316 H CYS 42 H CYS 42 1.102 0.985 -3.776 317 HA CYS 42 HA CYS 42 3.252 -0.953 -4.210 318 1HB CYS 42 2HB CYS 42 2.118 -2.448 -2.500 319 2HB CYS 42 1HB CYS 42 2.986 -1.067 -1.839 320 HG CYS 42 HG CYS 42 0.899 -0.276 -0.834 321 H LYS 43 H LYS 43 2.462 -3.042 -4.970 322 HA LYS 43 HA LYS 43 0.128 -2.702 -6.671 323 1HB LYS 43 2HB LYS 43 0.925 -4.876 -7.676 324 2HB LYS 43 1HB LYS 43 2.026 -3.513 -7.829 325 1HG LYS 43 2HG LYS 43 3.451 -4.355 -6.136 326 2HG LYS 43 1HG LYS 43 2.267 -5.570 -5.651 327 1HD LYS 43 2HD LYS 43 2.628 -6.859 -7.569 328 2HD LYS 43 1HD LYS 43 3.401 -5.524 -8.428 329 1HE LYS 43 2HE LYS 43 4.727 -6.336 -5.935 330 2HE LYS 43 1HE LYS 43 4.732 -7.554 -7.210 331 1HZ LYS 43 1HZ LYS 43 6.651 -5.919 -7.157 332 2HZ LYS 43 2HZ LYS 43 5.558 -4.759 -7.723 333 3HZ LYS 43 3HZ LYS 43 5.881 -6.138 -8.648 334 H ASN 44 H ASN 44 -1.703 -3.753 -6.538 335 HA ASN 44 HA ASN 44 -2.115 -5.629 -4.316 336 1HB ASN 44 2HB ASN 44 -3.453 -3.302 -4.795 337 2HB ASN 44 1HB ASN 44 -4.462 -4.445 -5.659 338 1HD2 ASN 44 1HD2 ASN 44 -5.660 -5.919 -4.538 339 2HD2 ASN 44 2HD2 ASN 44 -5.821 -5.899 -2.817 340 H ALA 45 H ALA 45 -4.070 -7.114 -4.854 341 HA ALA 45 HA ALA 45 -3.312 -8.594 -7.187 342 1HB ALA 45 1HB ALA 45 -5.407 -8.952 -5.071 343 2HB ALA 45 2HB ALA 45 -3.997 -9.954 -5.414 344 3HB ALA 45 3HB ALA 45 -5.382 -9.976 -6.507 345 H ARG 46 H ARG 46 -4.816 -5.829 -6.939 346 HA ARG 46 HA ARG 46 -7.139 -6.170 -8.589 347 1HB ARG 46 2HB ARG 46 -5.909 -4.174 -6.901 348 2HB ARG 46 1HB ARG 46 -6.372 -3.468 -8.435 349 1HG ARG 46 2HG ARG 46 -8.096 -3.126 -6.906 350 2HG ARG 46 1HG ARG 46 -8.674 -4.325 -8.059 351 1HD ARG 46 2HD ARG 46 -7.895 -4.634 -5.177 352 2HD ARG 46 1HD ARG 46 -9.392 -5.098 -5.976 353 HE ARG 46 HE ARG 46 -6.929 -6.622 -5.890 354 1HH1 ARG 46 1HH1 ARG 46 -10.057 -6.203 -7.387 355 2HH1 ARG 46 2HH1 ARG 46 -10.159 -7.846 -7.922 356 1HH2 ARG 46 1HH2 ARG 46 -7.074 -8.792 -6.590 357 2HH2 ARG 46 2HH2 ARG 46 -8.469 -9.311 -7.474 358 H GLY 47 H GLY 47 -3.808 -5.939 -9.165 359 1HA GLY 47 2HA GLY 47 -2.729 -5.918 -11.231 360 2HA GLY 47 1HA GLY 47 -4.248 -5.470 -11.993 361 H GLN 48 H GLN 48 -4.325 -3.301 -9.736 362 HA GLN 48 HA GLN 48 -2.597 -1.369 -11.121 363 1HB GLN 48 2HB GLN 48 -4.916 -0.830 -11.567 364 2HB GLN 48 1HB GLN 48 -5.321 -0.960 -9.869 365 1HG GLN 48 2HG GLN 48 -5.039 1.229 -9.741 366 2HG GLN 48 1HG GLN 48 -3.314 0.958 -9.972 367 1HE2 GLN 48 1HE2 GLN 48 -6.308 1.859 -11.496 368 2HE2 GLN 48 2HE2 GLN 48 -5.611 2.523 -12.931 369 H VAL 49 H VAL 49 -1.327 -0.060 -9.905 370 HA VAL 49 HA VAL 49 -1.604 -0.298 -6.984 371 HB VAL 49 HB VAL 49 0.447 -1.246 -7.069 372 1HG1 VAL 49 1HG1 VAL 49 2.134 -0.678 -8.888 373 2HG1 VAL 49 2HG1 VAL 49 0.767 0.072 -9.713 374 3HG1 VAL 49 3HG1 VAL 49 0.725 -1.646 -9.317 375 1HG2 VAL 49 1HG2 VAL 49 2.203 0.306 -6.646 376 2HG2 VAL 49 2HG2 VAL 49 0.709 1.012 -6.029 377 3HG2 VAL 49 3HG2 VAL 49 1.378 1.568 -7.562 378 H GLY 50 H GLY 50 -1.987 1.543 -6.000 379 1HA GLY 50 2HA GLY 50 -1.385 4.030 -7.466 380 2HA GLY 50 1HA GLY 50 -2.788 3.830 -6.436 381 H LEU 51 H LEU 51 -2.036 5.717 -5.357 382 HA LEU 51 HA LEU 51 0.319 5.323 -3.683 383 1HB LEU 51 2HB LEU 51 -1.132 7.654 -4.705 384 2HB LEU 51 1HB LEU 51 -0.662 7.797 -3.024 385 HG LEU 51 HG LEU 51 1.622 7.731 -3.518 386 1HD1 LEU 51 1HD1 LEU 51 0.828 6.025 -5.681 387 2HD1 LEU 51 2HD1 LEU 51 2.424 6.262 -4.969 388 3HD1 LEU 51 3HD1 LEU 51 1.882 7.303 -6.282 389 1HD2 LEU 51 1HD2 LEU 51 1.095 9.847 -4.158 390 2HD2 LEU 51 2HD2 LEU 51 0.007 9.309 -5.438 391 3HD2 LEU 51 3HD2 LEU 51 1.753 9.239 -5.677 392 H VAL 52 H VAL 52 -0.045 4.261 -1.869 393 HA VAL 52 HA VAL 52 -2.652 4.428 -0.588 394 HB VAL 52 HB VAL 52 -1.965 2.197 -0.669 395 1HG1 VAL 52 1HG1 VAL 52 0.629 3.237 -0.720 396 2HG1 VAL 52 2HG1 VAL 52 0.140 1.565 -0.911 397 3HG1 VAL 52 3HG1 VAL 52 0.565 2.179 0.683 398 1HG2 VAL 52 1HG2 VAL 52 -2.380 3.347 1.774 399 2HG2 VAL 52 2HG2 VAL 52 -0.859 2.494 2.030 400 3HG2 VAL 52 3HG2 VAL 52 -2.281 1.612 1.476 401 HA PRO 53 HA PRO 53 -1.201 7.386 2.407 402 1HB PRO 53 2HB PRO 53 -3.312 7.347 4.037 403 2HB PRO 53 1HB PRO 53 -3.468 7.976 2.386 404 1HG PRO 53 2HG PRO 53 -4.029 5.190 3.377 405 2HG PRO 53 1HG PRO 53 -5.144 6.284 2.515 406 1HD PRO 53 2HD PRO 53 -3.794 4.423 1.190 407 2HD PRO 53 1HD PRO 53 -3.966 6.054 0.504 408 H LYS 54 H LYS 54 0.490 6.553 3.534 409 HA LYS 54 HA LYS 54 0.692 4.225 4.973 410 1HB LYS 54 2HB LYS 54 2.527 5.304 6.157 411 2HB LYS 54 1HB LYS 54 2.556 5.681 4.433 412 1HG LYS 54 2HG LYS 54 2.559 7.816 4.930 413 2HG LYS 54 1HG LYS 54 0.949 7.636 5.635 414 1HD LYS 54 2HD LYS 54 1.868 7.197 7.794 415 2HD LYS 54 1HD LYS 54 3.509 7.111 7.147 416 1HE LYS 54 2HE LYS 54 2.873 9.569 6.327 417 2HE LYS 54 1HE LYS 54 1.811 9.470 7.731 418 1HZ LYS 54 1HZ LYS 54 4.700 9.644 7.606 419 2HZ LYS 54 2HZ LYS 54 4.100 8.554 8.751 420 3HZ LYS 54 3HZ LYS 54 3.633 10.178 8.805 421 H ASN 55 H ASN 55 -0.955 7.115 5.812 422 HA ASN 55 HA ASN 55 -0.973 6.838 8.631 423 1HB ASN 55 2HB ASN 55 -1.552 8.902 7.196 424 2HB ASN 55 1HB ASN 55 -3.149 8.174 7.052 425 1HD2 ASN 55 1HD2 ASN 55 -4.300 9.612 8.218 426 2HD2 ASN 55 2HD2 ASN 55 -4.061 9.911 9.903 427 H TYR 56 H TYR 56 -2.441 5.060 6.214 428 HA TYR 56 HA TYR 56 -4.506 4.072 8.059 429 1HB TYR 56 2HB TYR 56 -4.463 4.203 5.040 430 2HB TYR 56 1HB TYR 56 -5.665 3.305 5.956 431 HD1 TYR 56 1HD TYR 56 -5.838 5.398 8.229 432 HD2 TYR 56 2HD TYR 56 -6.040 5.702 3.996 433 HE1 TYR 56 1HE TYR 56 -7.216 7.411 8.455 434 HE2 TYR 56 2HE TYR 56 -7.415 7.724 4.206 435 HH TYR 56 HH TYR 56 -7.688 9.582 6.118 436 H VAL 57 H VAL 57 -1.539 3.356 7.338 437 HA VAL 57 HA VAL 57 -2.005 0.490 7.490 438 HB VAL 57 HB VAL 57 -1.075 -0.160 5.529 439 1HG1 VAL 57 1HG1 VAL 57 -1.667 2.687 4.736 440 2HG1 VAL 57 2HG1 VAL 57 -2.876 1.415 4.905 441 3HG1 VAL 57 3HG1 VAL 57 -1.620 1.280 3.675 442 1HG2 VAL 57 1HG2 VAL 57 1.148 0.469 5.790 443 2HG2 VAL 57 2HG2 VAL 57 0.756 2.188 5.852 444 3HG2 VAL 57 3HG2 VAL 57 0.666 1.319 4.321 445 H VAL 58 H VAL 58 0.209 -0.666 7.508 446 HA VAL 58 HA VAL 58 2.260 0.849 8.939 447 HB VAL 58 HB VAL 58 0.890 -0.200 10.701 448 1HG1 VAL 58 1HG1 VAL 58 0.330 -2.174 9.050 449 2HG1 VAL 58 2HG1 VAL 58 0.340 -2.421 10.796 450 3HG1 VAL 58 3HG1 VAL 58 1.726 -2.919 9.827 451 1HG2 VAL 58 1HG2 VAL 58 2.687 -0.744 11.953 452 2HG2 VAL 58 2HG2 VAL 58 3.575 -0.173 10.541 453 3HG2 VAL 58 3HG2 VAL 58 3.298 -1.899 10.769 454 H VAL 59 H VAL 59 4.130 0.482 7.918 455 HA VAL 59 HA VAL 59 4.379 -1.443 5.883 456 HB VAL 59 HB VAL 59 6.659 -0.020 7.252 457 1HG1 VAL 59 1HG1 VAL 59 6.451 -0.814 4.365 458 2HG1 VAL 59 2HG1 VAL 59 7.066 -1.929 5.588 459 3HG1 VAL 59 3HG1 VAL 59 7.891 -0.399 5.297 460 1HG2 VAL 59 1HG2 VAL 59 6.192 1.485 5.102 461 2HG2 VAL 59 2HG2 VAL 59 5.429 1.801 6.660 462 3HG2 VAL 59 3HG2 VAL 59 4.546 0.931 5.407 463 H LEU 60 H LEU 60 5.543 -3.336 5.740 464 HA LEU 60 HA LEU 60 6.579 -4.506 8.196 465 1HB LEU 60 2HB LEU 60 4.634 -5.621 8.385 466 2HB LEU 60 1HB LEU 60 4.189 -5.315 6.722 467 HG LEU 60 HG LEU 60 6.305 -7.267 6.812 468 1HD1 LEU 60 1HD1 LEU 60 4.421 -8.937 7.826 469 2HD1 LEU 60 2HD1 LEU 60 4.223 -7.518 8.854 470 3HD1 LEU 60 3HD1 LEU 60 5.796 -8.305 8.730 471 1HD2 LEU 60 1HD2 LEU 60 4.524 -6.753 5.044 472 2HD2 LEU 60 2HD2 LEU 60 3.445 -7.728 6.042 473 3HD2 LEU 60 3HD2 LEU 60 4.904 -8.446 5.361 474 H SER 61 H SER 61 8.664 -4.600 7.573 475 HA SER 61 HA SER 61 9.278 -6.035 5.081 476 1HB SER 61 2HB SER 61 11.357 -4.794 4.949 477 2HB SER 61 1HB SER 61 10.022 -3.653 5.117 478 HG SER 61 HG SER 61 11.937 -3.320 6.501 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 15.007 -11.071 -1.083 2 2H GLY 1 2HT GLY 1 14.233 -11.958 0.132 3 3H GLY 1 3HT GLY 1 15.906 -11.721 0.194 4 1HA GLY 1 1HA GLY 1 14.325 -10.282 1.657 5 2HA GLY 1 2HA GLY 1 15.754 -9.581 0.914 6 H SER 2 H SER 2 12.866 -8.679 1.647 7 HA SER 2 HA SER 2 12.657 -6.787 -0.488 8 1HB SER 2 2HB SER 2 11.248 -9.215 -0.828 9 2HB SER 2 1HB SER 2 10.041 -7.998 -0.396 10 HG SER 2 HG SER 2 10.871 -6.705 -2.100 11 H HIS 3 H HIS 3 11.604 -4.977 0.154 12 HA HIS 3 HA HIS 3 10.730 -4.869 2.911 13 1HB HIS 3 2HB HIS 3 10.101 -2.404 1.762 14 2HB HIS 3 1HB HIS 3 11.539 -2.785 2.696 15 HD1 HIS 3 1HD HIS 3 13.705 -2.444 1.528 16 HD2 HIS 3 2HD HIS 3 10.535 -2.795 -1.136 17 HE1 HIS 3 1HE HIS 3 14.682 -1.988 -0.743 18 HE2 HIS 3 2HE HIS 3 12.759 -2.268 -2.346 19 H VAL 4 H VAL 4 8.704 -5.223 3.541 20 HA VAL 4 HA VAL 4 6.578 -4.875 1.527 21 HB VAL 4 HB VAL 4 5.873 -6.754 3.628 22 1HG1 VAL 4 1HG1 VAL 4 4.691 -6.381 1.468 23 2HG1 VAL 4 2HG1 VAL 4 5.109 -8.069 1.762 24 3HG1 VAL 4 3HG1 VAL 4 6.068 -7.107 0.638 25 1HG2 VAL 4 1HG2 VAL 4 8.156 -7.401 3.688 26 2HG2 VAL 4 2HG2 VAL 4 8.283 -7.350 1.929 27 3HG2 VAL 4 3HG2 VAL 4 7.310 -8.599 2.706 28 H VAL 5 H VAL 5 4.379 -4.665 2.558 29 HA VAL 5 HA VAL 5 4.526 -3.191 5.078 30 HB VAL 5 HB VAL 5 4.324 -1.297 3.944 31 1HG1 VAL 5 1HG1 VAL 5 2.892 -2.021 1.533 32 2HG1 VAL 5 2HG1 VAL 5 4.394 -2.911 1.756 33 3HG1 VAL 5 3HG1 VAL 5 4.409 -1.157 1.748 34 1HG2 VAL 5 1HG2 VAL 5 2.089 -0.534 3.454 35 2HG2 VAL 5 2HG2 VAL 5 2.097 -1.495 4.932 36 3HG2 VAL 5 3HG2 VAL 5 1.507 -2.198 3.426 37 H GLN 6 H GLN 6 2.515 -2.942 6.188 38 HA GLN 6 HA GLN 6 0.677 -5.172 5.608 39 1HB GLN 6 2HB GLN 6 2.260 -4.906 7.803 40 2HB GLN 6 1HB GLN 6 0.780 -4.131 8.364 41 1HG GLN 6 2HG GLN 6 -0.410 -6.060 8.357 42 2HG GLN 6 1HG GLN 6 0.500 -6.749 7.015 43 1HE2 GLN 6 1HE2 GLN 6 1.474 -5.479 10.180 44 2HE2 GLN 6 2HE2 GLN 6 2.288 -6.913 10.697 45 H THR 7 H THR 7 -1.523 -4.842 5.672 46 HA THR 7 HA THR 7 -2.384 -2.062 5.561 47 HB THR 7 HB THR 7 -4.332 -2.845 4.548 48 HG1 THR 7 1HG THR 7 -5.295 -4.257 5.772 49 1HG2 THR 7 1HG2 THR 7 -3.268 -5.294 3.593 50 2HG2 THR 7 2HG2 THR 7 -1.966 -4.110 3.681 51 3HG2 THR 7 3HG2 THR 7 -3.422 -3.752 2.757 52 H LEU 8 H LEU 8 -3.594 -1.016 6.987 53 HA LEU 8 HA LEU 8 -4.341 -2.441 9.455 54 1HB LEU 8 2HB LEU 8 -3.683 0.481 9.092 55 2HB LEU 8 1HB LEU 8 -4.100 -0.286 10.605 56 HG LEU 8 HG LEU 8 -1.561 0.234 9.744 57 1HD1 LEU 8 1HD1 LEU 8 -0.857 -1.377 11.513 58 2HD1 LEU 8 2HD1 LEU 8 -2.555 -1.826 11.674 59 3HD1 LEU 8 3HD1 LEU 8 -2.044 -0.169 12.004 60 1HD2 LEU 8 1HD2 LEU 8 -2.068 -2.682 9.202 61 2HD2 LEU 8 2HD2 LEU 8 -0.490 -1.921 9.318 62 3HD2 LEU 8 3HD2 LEU 8 -1.582 -1.464 8.022 63 H TYR 9 H TYR 9 -5.283 -0.036 7.069 64 HA TYR 9 HA TYR 9 -8.085 -0.374 7.882 65 1HB TYR 9 2HB TYR 9 -6.526 2.142 7.653 66 2HB TYR 9 1HB TYR 9 -8.166 2.169 7.013 67 HD1 TYR 9 1HD TYR 9 -6.679 3.475 9.567 68 HD2 TYR 9 2HD TYR 9 -9.521 0.365 8.967 69 HE1 TYR 9 1HE TYR 9 -7.547 3.836 11.839 70 HE2 TYR 9 2HE TYR 9 -10.396 0.718 11.237 71 HH TYR 9 HH TYR 9 -8.782 2.675 13.545 72 HA PRO 10 HA PRO 10 -9.361 -1.101 3.744 73 1HB PRO 10 2HB PRO 10 -10.945 1.206 3.283 74 2HB PRO 10 1HB PRO 10 -11.496 -0.382 3.816 75 1HG PRO 10 2HG PRO 10 -10.933 2.058 5.407 76 2HG PRO 10 1HG PRO 10 -12.097 0.756 5.711 77 1HD PRO 10 2HD PRO 10 -9.838 0.978 7.136 78 2HD PRO 10 1HD PRO 10 -10.497 -0.612 6.690 79 H PHE 11 H PHE 11 -9.514 -0.043 1.520 80 HA PHE 11 HA PHE 11 -7.078 1.511 1.114 81 1HB PHE 11 2HB PHE 11 -7.372 0.915 -1.263 82 2HB PHE 11 1HB PHE 11 -7.375 -0.507 -0.227 83 HD1 PHE 11 1HD PHE 11 -9.447 -1.744 0.182 84 HD2 PHE 11 2HD PHE 11 -9.327 1.582 -2.470 85 HE1 PHE 11 1HE PHE 11 -11.612 -2.427 -0.767 86 HE2 PHE 11 2HE PHE 11 -11.492 0.906 -3.422 87 HZ PHE 11 HZ PHE 11 -12.638 -1.100 -2.569 88 H SER 12 H SER 12 -7.051 3.599 0.557 89 HA SER 12 HA SER 12 -9.517 4.799 -0.505 90 1HB SER 12 2HB SER 12 -9.167 5.321 1.942 91 2HB SER 12 1HB SER 12 -7.699 6.179 1.478 92 HG SER 12 HG SER 12 -10.301 6.956 1.286 93 H SER 13 H SER 13 -9.140 5.603 -2.463 94 HA SER 13 HA SER 13 -6.512 6.831 -2.992 95 1HB SER 13 2HB SER 13 -8.020 4.802 -4.543 96 2HB SER 13 1HB SER 13 -7.265 6.094 -5.477 97 HG SER 13 HG SER 13 -5.907 4.516 -3.550 98 H VAL 14 H VAL 14 -6.591 8.899 -3.620 99 HA VAL 14 HA VAL 14 -9.067 9.904 -4.842 100 HB VAL 14 HB VAL 14 -8.798 12.016 -3.558 101 1HG1 VAL 14 1HG1 VAL 14 -10.234 9.955 -2.899 102 2HG1 VAL 14 2HG1 VAL 14 -10.010 11.263 -1.737 103 3HG1 VAL 14 3HG1 VAL 14 -9.064 9.781 -1.590 104 1HG2 VAL 14 1HG2 VAL 14 -6.616 10.432 -2.246 105 2HG2 VAL 14 2HG2 VAL 14 -7.439 11.739 -1.395 106 3HG2 VAL 14 3HG2 VAL 14 -6.562 12.075 -2.888 107 H THR 15 H THR 15 -5.643 10.646 -4.175 108 HA THR 15 HA THR 15 -5.324 12.733 -5.981 109 HB THR 15 HB THR 15 -3.069 10.818 -5.715 110 HG1 THR 15 1HG THR 15 -2.770 11.480 -3.537 111 1HG2 THR 15 1HG2 THR 15 -3.458 13.746 -5.724 112 2HG2 THR 15 2HG2 THR 15 -2.209 12.759 -6.485 113 3HG2 THR 15 3HG2 THR 15 -2.130 13.105 -4.757 114 H GLU 16 H GLU 16 -3.816 12.540 -7.970 115 HA GLU 16 HA GLU 16 -5.214 11.007 -9.916 116 1HB GLU 16 2HB GLU 16 -4.473 12.820 -11.018 117 2HB GLU 16 1HB GLU 16 -3.172 13.096 -9.872 118 1HG GLU 16 2HG GLU 16 -2.271 12.743 -12.073 119 2HG GLU 16 1HG GLU 16 -1.820 11.402 -11.023 120 H GLU 17 H GLU 17 -2.161 10.603 -8.219 121 HA GLU 17 HA GLU 17 -1.482 8.290 -9.864 122 1HB GLU 17 2HB GLU 17 0.114 9.195 -7.491 123 2HB GLU 17 1HB GLU 17 0.660 8.350 -8.928 124 1HG GLU 17 2HG GLU 17 -0.450 11.076 -9.266 125 2HG GLU 17 1HG GLU 17 1.142 10.914 -8.531 126 H GLU 18 H GLU 18 -3.824 8.140 -8.167 127 HA GLU 18 HA GLU 18 -2.959 5.983 -6.359 128 1HB GLU 18 2HB GLU 18 -5.512 7.487 -5.923 129 2HB GLU 18 1HB GLU 18 -4.552 6.574 -4.768 130 1HG GLU 18 2HG GLU 18 -2.871 8.614 -5.608 131 2HG GLU 18 1HG GLU 18 -4.452 9.368 -5.455 132 H LEU 19 H LEU 19 -4.773 4.360 -5.951 133 HA LEU 19 HA LEU 19 -6.788 4.172 -7.997 134 1HB LEU 19 2HB LEU 19 -6.101 2.296 -9.141 135 2HB LEU 19 1HB LEU 19 -4.618 3.200 -8.961 136 HG LEU 19 HG LEU 19 -3.858 1.112 -8.502 137 1HD1 LEU 19 1HD1 LEU 19 -4.751 1.260 -5.724 138 2HD1 LEU 19 2HD1 LEU 19 -3.922 2.686 -6.346 139 3HD1 LEU 19 3HD1 LEU 19 -3.138 1.112 -6.410 140 1HD2 LEU 19 1HD2 LEU 19 -5.080 -0.723 -7.949 141 2HD2 LEU 19 2HD2 LEU 19 -6.377 0.291 -8.575 142 3HD2 LEU 19 3HD2 LEU 19 -6.120 0.159 -6.835 143 H ASN 20 H ASN 20 -8.428 2.667 -7.543 144 HA ASN 20 HA ASN 20 -8.473 1.907 -4.716 145 1HB ASN 20 2HB ASN 20 -10.977 1.615 -5.196 146 2HB ASN 20 1HB ASN 20 -10.336 3.255 -5.202 147 1HD2 ASN 20 1HD2 ASN 20 -12.053 3.959 -6.486 148 2HD2 ASN 20 2HD2 ASN 20 -12.136 3.599 -8.173 149 H PHE 21 H PHE 21 -7.902 -0.078 -4.289 150 HA PHE 21 HA PHE 21 -8.993 -2.253 -5.935 151 1HB PHE 21 2HB PHE 21 -6.773 -3.478 -5.435 152 2HB PHE 21 1HB PHE 21 -6.803 -2.283 -6.722 153 HD1 PHE 21 1HD PHE 21 -6.745 -1.252 -3.194 154 HD2 PHE 21 2HD PHE 21 -4.427 -2.006 -6.676 155 HE1 PHE 21 1HE PHE 21 -4.837 -0.103 -2.162 156 HE2 PHE 21 2HE PHE 21 -2.511 -0.853 -5.652 157 HZ PHE 21 HZ PHE 21 -2.715 0.099 -3.391 158 H GLU 22 H GLU 22 -8.944 -4.388 -4.795 159 HA GLU 22 HA GLU 22 -10.020 -4.087 -2.182 160 1HB GLU 22 2HB GLU 22 -10.994 -5.925 -3.083 161 2HB GLU 22 1HB GLU 22 -9.621 -6.267 -4.122 162 1HG GLU 22 2HG GLU 22 -10.060 -8.062 -2.524 163 2HG GLU 22 1HG GLU 22 -8.467 -7.343 -2.308 164 H LYS 23 H LYS 23 -8.610 -3.322 -0.705 165 HA LYS 23 HA LYS 23 -5.885 -4.131 -0.560 166 1HB LYS 23 2HB LYS 23 -7.581 -2.167 0.664 167 2HB LYS 23 1HB LYS 23 -6.665 -3.000 1.905 168 1HG LYS 23 2HG LYS 23 -5.571 -1.531 -0.481 169 2HG LYS 23 1HG LYS 23 -5.453 -1.058 1.214 170 1HD LYS 23 2HD LYS 23 -3.601 -2.261 1.467 171 2HD LYS 23 1HD LYS 23 -4.409 -3.714 0.876 172 1HE LYS 23 2HE LYS 23 -3.208 -1.572 -0.877 173 2HE LYS 23 1HE LYS 23 -2.409 -3.082 -0.446 174 1HZ LYS 23 1HZ LYS 23 -3.473 -3.208 -2.617 175 2HZ LYS 23 2HZ LYS 23 -4.975 -2.862 -1.922 176 3HZ LYS 23 3HZ LYS 23 -4.176 -4.300 -1.532 177 H GLY 24 H GLY 24 -4.999 -5.789 0.473 178 1HA GLY 24 2HA GLY 24 -6.729 -7.569 1.999 179 2HA GLY 24 1HA GLY 24 -5.087 -7.911 1.466 180 H GLU 25 H GLU 25 -4.317 -8.566 3.440 181 HA GLU 25 HA GLU 25 -4.469 -6.751 5.694 182 1HB GLU 25 2HB GLU 25 -4.628 -9.497 5.531 183 2HB GLU 25 1HB GLU 25 -2.980 -9.232 6.087 184 1HG GLU 25 2HG GLU 25 -3.653 -8.268 8.056 185 2HG GLU 25 1HG GLU 25 -5.220 -7.793 7.405 186 H THR 26 H THR 26 -2.410 -7.708 3.211 187 HA THR 26 HA THR 26 -0.235 -6.114 4.330 188 HB THR 26 HB THR 26 0.980 -8.275 2.964 189 HG1 THR 26 1HG THR 26 0.024 -10.003 3.670 190 1HG2 THR 26 1HG2 THR 26 1.013 -8.312 5.905 191 2HG2 THR 26 2HG2 THR 26 1.581 -6.832 5.134 192 3HG2 THR 26 3HG2 THR 26 2.342 -8.375 4.747 193 H MET 27 H MET 27 1.026 -5.067 2.864 194 HA MET 27 HA MET 27 0.577 -5.512 0.010 195 1HB MET 27 2HB MET 27 0.832 -2.725 0.273 196 2HB MET 27 1HB MET 27 -0.584 -3.619 -0.250 197 1HG MET 27 2HG MET 27 -1.598 -3.486 1.812 198 2HG MET 27 1HG MET 27 -0.074 -3.229 2.662 199 1HE MET 27 1HE MET 27 -1.472 -0.963 4.036 200 2HE MET 27 2HE MET 27 -2.718 -1.847 3.158 201 3HE MET 27 3HE MET 27 -2.603 -0.095 3.000 202 H GLU 28 H GLU 28 2.276 -4.342 -1.301 203 HA GLU 28 HA GLU 28 4.780 -4.129 0.261 204 1HB GLU 28 2HB GLU 28 5.894 -4.905 -1.898 205 2HB GLU 28 1HB GLU 28 4.980 -6.109 -1.007 206 1HG GLU 28 2HG GLU 28 3.401 -4.702 -3.008 207 2HG GLU 28 1HG GLU 28 4.762 -5.601 -3.678 208 H VAL 29 H VAL 29 5.386 -2.103 0.317 209 HA VAL 29 HA VAL 29 4.642 -0.268 -1.802 210 HB VAL 29 HB VAL 29 5.697 0.065 0.982 211 1HG1 VAL 29 1HG1 VAL 29 5.565 2.566 0.507 212 2HG1 VAL 29 2HG1 VAL 29 5.688 2.125 -1.197 213 3HG1 VAL 29 3HG1 VAL 29 6.987 1.704 -0.081 214 1HG2 VAL 29 1HG2 VAL 29 3.256 -0.246 0.422 215 2HG2 VAL 29 2HG2 VAL 29 3.327 1.338 -0.349 216 3HG2 VAL 29 3HG2 VAL 29 3.659 1.182 1.377 217 H ILE 30 H ILE 30 5.983 0.719 -3.150 218 HA ILE 30 HA ILE 30 8.732 -0.270 -3.305 219 HB ILE 30 HB ILE 30 8.525 1.151 -5.557 220 1HG1 ILE 30 2HG1 ILE 30 6.066 1.663 -4.683 221 2HG1 ILE 30 1HG1 ILE 30 6.404 1.460 -6.389 222 1HG2 ILE 30 1HG2 ILE 30 9.100 -1.180 -5.471 223 2HG2 ILE 30 2HG2 ILE 30 7.850 -0.934 -6.691 224 3HG2 ILE 30 3HG2 ILE 30 7.427 -1.618 -5.121 225 1HD1 ILE 30 1HD1 ILE 30 4.407 0.268 -5.790 226 2HD1 ILE 30 2HD1 ILE 30 5.275 -0.619 -4.539 227 3HD1 ILE 30 3HD1 ILE 30 5.668 -0.877 -6.239 228 H GLU 31 H GLU 31 6.906 2.749 -3.158 229 HA GLU 31 HA GLU 31 9.353 4.318 -3.126 230 1HB GLU 31 2HB GLU 31 7.472 5.173 -4.409 231 2HB GLU 31 1HB GLU 31 6.449 5.139 -2.982 232 1HG GLU 31 2HG GLU 31 7.508 6.960 -2.018 233 2HG GLU 31 1HG GLU 31 8.954 6.765 -3.005 234 H LYS 32 H LYS 32 10.429 4.331 -1.263 235 HA LYS 32 HA LYS 32 9.096 4.070 1.270 236 1HB LYS 32 2HB LYS 32 11.995 4.763 0.867 237 2HB LYS 32 1HB LYS 32 11.251 3.914 2.210 238 1HG LYS 32 2HG LYS 32 11.594 2.861 -0.586 239 2HG LYS 32 1HG LYS 32 12.523 2.384 0.836 240 1HD LYS 32 2HD LYS 32 10.850 1.094 1.663 241 2HD LYS 32 1HD LYS 32 9.583 2.156 1.048 242 1HE LYS 32 2HE LYS 32 9.904 -0.219 0.025 243 2HE LYS 32 1HE LYS 32 9.556 1.154 -1.022 244 1HZ LYS 32 1HZ LYS 32 12.325 0.268 -0.467 245 2HZ LYS 32 2HZ LYS 32 11.775 1.265 -1.717 246 3HZ LYS 32 3HZ LYS 32 11.411 -0.385 -1.732 247 HA PRO 33 HA PRO 33 8.807 8.457 1.916 248 1HB PRO 33 2HB PRO 33 7.812 8.447 4.396 249 2HB PRO 33 1HB PRO 33 6.871 7.849 3.025 250 1HG PRO 33 2HG PRO 33 8.325 6.326 5.135 251 2HG PRO 33 1HG PRO 33 6.786 5.956 4.340 252 1HD PRO 33 2HD PRO 33 9.268 4.846 3.695 253 2HD PRO 33 1HD PRO 33 7.818 4.809 2.674 254 H GLU 34 H GLU 34 11.292 6.706 2.955 255 HA GLU 34 HA GLU 34 12.253 7.943 5.264 256 1HB GLU 34 2HB GLU 34 14.559 7.296 4.260 257 2HB GLU 34 1HB GLU 34 13.425 6.026 4.696 258 1HG GLU 34 2HG GLU 34 14.575 5.674 2.530 259 2HG GLU 34 1HG GLU 34 12.818 5.682 2.418 260 H ASN 35 H ASN 35 12.005 9.131 2.052 261 HA ASN 35 HA ASN 35 13.696 11.439 2.757 262 1HB ASN 35 2HB ASN 35 14.405 10.019 0.769 263 2HB ASN 35 1HB ASN 35 12.951 10.589 -0.043 264 1HD2 ASN 35 1HD2 ASN 35 15.473 12.083 1.962 265 2HD2 ASN 35 2HD2 ASN 35 15.825 13.367 0.861 266 H ASP 36 H ASP 36 10.705 10.408 1.183 267 HA ASP 36 HA ASP 36 9.624 13.111 1.640 268 1HB ASP 36 2HB ASP 36 8.771 11.279 -0.603 269 2HB ASP 36 1HB ASP 36 8.353 12.975 -0.380 270 HA PRO 37 HA PRO 37 6.857 10.371 3.980 271 1HB PRO 37 2HB PRO 37 6.268 12.085 5.944 272 2HB PRO 37 1HB PRO 37 7.839 11.275 5.875 273 1HG PRO 37 2HG PRO 37 7.109 14.064 5.086 274 2HG PRO 37 1HG PRO 37 8.551 13.482 5.934 275 1HD PRO 37 2HD PRO 37 8.432 14.054 3.229 276 2HD PRO 37 1HD PRO 37 9.628 12.983 3.985 277 H GLU 38 H GLU 38 5.719 11.120 1.728 278 HA GLU 38 HA GLU 38 3.351 12.681 2.500 279 1HB GLU 38 2HB GLU 38 3.082 12.973 -0.041 280 2HB GLU 38 1HB GLU 38 4.318 13.908 0.782 281 1HG GLU 38 2HG GLU 38 5.671 11.641 0.025 282 2HG GLU 38 1HG GLU 38 4.571 11.923 -1.320 283 H TRP 39 H TRP 39 3.958 10.395 -0.178 284 HA TRP 39 HA TRP 39 2.034 8.531 0.932 285 1HB TRP 39 2HB TRP 39 1.526 9.582 -1.844 286 2HB TRP 39 1HB TRP 39 0.457 8.626 -0.824 287 HD1 TRP 39 HD TRP 39 -0.700 9.965 1.281 288 HE1 TRP 39 1HE TRP 39 -1.370 12.443 1.487 289 HE3 TRP 39 3HE TRP 39 2.125 11.889 -2.518 290 HZ2 TRP 39 2HZ TRP 39 -0.777 14.889 0.208 291 HZ3 TRP 39 3HZ TRP 39 2.018 14.308 -2.962 292 HH2 TRP 39 HH TRP 39 0.595 15.775 -1.626 293 H TRP 40 H TRP 40 2.190 6.454 0.070 294 HA TRP 40 HA TRP 40 4.325 6.088 -1.920 295 1HB TRP 40 2HB TRP 40 4.889 3.948 -0.835 296 2HB TRP 40 1HB TRP 40 5.135 5.322 0.231 297 HD1 TRP 40 HD TRP 40 1.877 3.302 -0.373 298 HE1 TRP 40 1HE TRP 40 1.057 2.424 1.902 299 HE3 TRP 40 3HE TRP 40 5.699 4.987 2.556 300 HZ2 TRP 40 2HZ TRP 40 1.939 2.440 4.582 301 HZ3 TRP 40 3HZ TRP 40 5.641 4.510 4.969 302 HH2 TRP 40 HH TRP 40 3.793 3.263 5.960 303 H LYS 41 H LYS 41 4.145 3.872 -3.008 304 HA LYS 41 HA LYS 41 1.355 3.161 -3.456 305 1HB LYS 41 2HB LYS 41 1.902 2.963 -5.922 306 2HB LYS 41 1HB LYS 41 1.709 4.584 -5.270 307 1HG LYS 41 2HG LYS 41 3.569 4.784 -6.581 308 2HG LYS 41 1HG LYS 41 4.275 4.516 -4.997 309 1HD LYS 41 2HD LYS 41 5.501 3.052 -6.247 310 2HD LYS 41 1HD LYS 41 4.170 2.016 -5.762 311 1HE LYS 41 2HE LYS 41 5.035 2.709 -8.384 312 2HE LYS 41 1HE LYS 41 3.788 1.564 -7.892 313 1HZ LYS 41 1HZ LYS 41 2.753 3.126 -9.292 314 2HZ LYS 41 2HZ LYS 41 3.473 4.446 -8.519 315 3HZ LYS 41 3HZ LYS 41 2.272 3.557 -7.729 316 H CYS 42 H CYS 42 0.886 1.074 -3.832 317 HA CYS 42 HA CYS 42 3.122 -0.801 -4.084 318 1HB CYS 42 2HB CYS 42 1.515 -2.310 -2.581 319 2HB CYS 42 1HB CYS 42 2.707 -1.241 -1.855 320 HG CYS 42 HG CYS 42 0.481 -0.835 -0.629 321 H LYS 43 H LYS 43 2.469 -2.902 -4.979 322 HA LYS 43 HA LYS 43 0.332 -2.562 -6.932 323 1HB LYS 43 2HB LYS 43 1.280 -4.483 -8.061 324 2HB LYS 43 1HB LYS 43 2.553 -3.331 -7.680 325 1HG LYS 43 2HG LYS 43 3.478 -4.689 -6.054 326 2HG LYS 43 1HG LYS 43 1.985 -5.602 -5.824 327 1HD LYS 43 2HD LYS 43 3.749 -5.705 -8.272 328 2HD LYS 43 1HD LYS 43 3.699 -6.919 -6.992 329 1HE LYS 43 2HE LYS 43 2.120 -7.943 -8.188 330 2HE LYS 43 1HE LYS 43 1.047 -6.621 -7.733 331 1HZ LYS 43 1HZ LYS 43 1.004 -6.870 -10.092 332 2HZ LYS 43 2HZ LYS 43 2.692 -6.810 -10.197 333 3HZ LYS 43 3HZ LYS 43 1.824 -5.432 -9.741 334 H ASN 44 H ASN 44 -1.411 -3.862 -7.185 335 HA ASN 44 HA ASN 44 -1.948 -5.744 -4.979 336 1HB ASN 44 2HB ASN 44 -3.253 -3.485 -5.112 337 2HB ASN 44 1HB ASN 44 -4.131 -4.273 -6.418 338 1HD2 ASN 44 1HD2 ASN 44 -2.875 -5.452 -3.316 339 2HD2 ASN 44 2HD2 ASN 44 -4.390 -6.043 -2.736 340 H ALA 45 H ALA 45 -3.882 -7.200 -5.623 341 HA ALA 45 HA ALA 45 -2.996 -8.771 -7.762 342 1HB ALA 45 1HB ALA 45 -4.224 -9.618 -5.783 343 2HB ALA 45 2HB ALA 45 -4.891 -10.180 -7.315 344 3HB ALA 45 3HB ALA 45 -5.693 -8.884 -6.426 345 H ARG 46 H ARG 46 -4.801 -5.933 -7.811 346 HA ARG 46 HA ARG 46 -6.368 -6.572 -10.158 347 1HB ARG 46 2HB ARG 46 -5.856 -3.793 -9.136 348 2HB ARG 46 1HB ARG 46 -7.263 -4.397 -9.990 349 1HG ARG 46 2HG ARG 46 -6.505 -5.112 -7.166 350 2HG ARG 46 1HG ARG 46 -7.704 -3.908 -7.630 351 1HD ARG 46 2HD ARG 46 -8.983 -5.801 -7.180 352 2HD ARG 46 1HD ARG 46 -8.830 -5.804 -8.935 353 HE ARG 46 HE ARG 46 -6.848 -7.372 -7.531 354 1HH1 ARG 46 1HH1 ARG 46 -9.986 -7.359 -9.064 355 2HH1 ARG 46 2HH1 ARG 46 -9.982 -9.064 -9.366 356 1HH2 ARG 46 1HH2 ARG 46 -6.847 -9.617 -7.930 357 2HH2 ARG 46 2HH2 ARG 46 -8.203 -10.344 -8.723 358 H GLY 47 H GLY 47 -3.165 -6.014 -9.629 359 1HA GLY 47 2HA GLY 47 -1.434 -5.649 -11.102 360 2HA GLY 47 1HA GLY 47 -2.621 -5.507 -12.390 361 H GLN 48 H GLN 48 -3.474 -3.458 -9.903 362 HA GLN 48 HA GLN 48 -2.098 -1.200 -11.177 363 1HB GLN 48 2HB GLN 48 -4.245 -0.001 -10.104 364 2HB GLN 48 1HB GLN 48 -4.186 -0.617 -11.743 365 1HG GLN 48 2HG GLN 48 -5.157 -2.765 -10.840 366 2HG GLN 48 1HG GLN 48 -5.455 -1.882 -9.345 367 1HE2 GLN 48 1HE2 GLN 48 -6.104 0.608 -10.516 368 2HE2 GLN 48 2HE2 GLN 48 -7.636 0.443 -11.296 369 H VAL 49 H VAL 49 -0.645 -0.325 -9.948 370 HA VAL 49 HA VAL 49 -1.062 -0.356 -7.041 371 HB VAL 49 HB VAL 49 1.049 -1.208 -7.194 372 1HG1 VAL 49 1HG1 VAL 49 1.478 0.401 -9.666 373 2HG1 VAL 49 2HG1 VAL 49 1.196 -1.337 -9.547 374 3HG1 VAL 49 3HG1 VAL 49 2.689 -0.640 -8.917 375 1HG2 VAL 49 1HG2 VAL 49 1.850 1.658 -7.521 376 2HG2 VAL 49 2HG2 VAL 49 2.661 0.397 -6.596 377 3HG2 VAL 49 3HG2 VAL 49 1.114 1.039 -6.045 378 H GLY 50 H GLY 50 -1.355 1.486 -5.983 379 1HA GLY 50 2HA GLY 50 -0.766 4.002 -7.360 380 2HA GLY 50 1HA GLY 50 -2.399 3.715 -6.782 381 H LEU 51 H LEU 51 -1.533 5.828 -5.770 382 HA LEU 51 HA LEU 51 0.162 5.555 -3.511 383 1HB LEU 51 2HB LEU 51 -1.447 7.692 -4.755 384 2HB LEU 51 1HB LEU 51 -1.072 7.884 -3.055 385 HG LEU 51 HG LEU 51 1.167 8.184 -3.437 386 1HD1 LEU 51 1HD1 LEU 51 1.979 6.314 -4.454 387 2HD1 LEU 51 2HD1 LEU 51 2.136 7.474 -5.773 388 3HD1 LEU 51 3HD1 LEU 51 0.774 6.356 -5.740 389 1HD2 LEU 51 1HD2 LEU 51 0.571 10.096 -4.454 390 2HD2 LEU 51 2HD2 LEU 51 -0.479 9.274 -5.609 391 3HD2 LEU 51 3HD2 LEU 51 1.264 9.307 -5.871 392 H VAL 52 H VAL 52 -0.379 4.481 -1.788 393 HA VAL 52 HA VAL 52 -3.170 4.401 -0.897 394 HB VAL 52 HB VAL 52 -2.304 2.210 -1.109 395 1HG1 VAL 52 1HG1 VAL 52 -0.157 1.561 0.080 396 2HG1 VAL 52 2HG1 VAL 52 0.138 3.291 0.241 397 3HG1 VAL 52 3HG1 VAL 52 0.003 2.568 -1.361 398 1HG2 VAL 52 1HG2 VAL 52 -2.430 3.168 1.722 399 2HG2 VAL 52 2HG2 VAL 52 -1.876 1.527 1.403 400 3HG2 VAL 52 3HG2 VAL 52 -3.471 2.036 0.859 401 HA PRO 53 HA PRO 53 -2.511 7.106 2.569 402 1HB PRO 53 2HB PRO 53 -4.110 5.879 4.393 403 2HB PRO 53 1HB PRO 53 -4.763 6.811 3.037 404 1HG PRO 53 2HG PRO 53 -4.222 3.847 3.177 405 2HG PRO 53 1HG PRO 53 -5.763 4.660 2.776 406 1HD PRO 53 2HD PRO 53 -4.252 3.839 0.811 407 2HD PRO 53 1HD PRO 53 -4.861 5.509 0.741 408 H LYS 54 H LYS 54 -0.266 6.440 2.841 409 HA LYS 54 HA LYS 54 0.644 4.184 4.116 410 1HB LYS 54 2HB LYS 54 2.608 5.587 4.765 411 2HB LYS 54 1HB LYS 54 2.173 5.614 3.058 412 1HG LYS 54 2HG LYS 54 2.155 7.803 3.181 413 2HG LYS 54 1HG LYS 54 0.717 7.686 4.191 414 1HD LYS 54 2HD LYS 54 2.026 7.712 6.187 415 2HD LYS 54 1HD LYS 54 3.530 7.572 5.272 416 1HE LYS 54 2HE LYS 54 3.510 9.823 5.721 417 2HE LYS 54 1HE LYS 54 2.696 9.793 4.157 418 1HZ LYS 54 1HZ LYS 54 1.739 10.851 6.523 419 2HZ LYS 54 2HZ LYS 54 0.821 9.457 6.254 420 3HZ LYS 54 3HZ LYS 54 0.890 10.663 5.071 421 H ASN 55 H ASN 55 -0.898 6.961 5.483 422 HA ASN 55 HA ASN 55 -0.091 6.386 8.196 423 1HB ASN 55 2HB ASN 55 -0.866 8.671 6.987 424 2HB ASN 55 1HB ASN 55 -2.398 8.168 7.692 425 1HD2 ASN 55 1HD2 ASN 55 -2.268 10.047 9.012 426 2HD2 ASN 55 2HD2 ASN 55 -1.280 10.054 10.429 427 H TYR 56 H TYR 56 -2.154 4.895 6.157 428 HA TYR 56 HA TYR 56 -4.105 4.235 8.264 429 1HB TYR 56 2HB TYR 56 -4.269 4.120 5.250 430 2HB TYR 56 1HB TYR 56 -5.428 3.295 6.285 431 HD1 TYR 56 1HD TYR 56 -3.878 6.687 6.589 432 HD2 TYR 56 2HD TYR 56 -7.429 4.408 6.054 433 HE1 TYR 56 1HE TYR 56 -5.215 8.744 6.758 434 HE2 TYR 56 2HE TYR 56 -8.778 6.459 6.218 435 HH TYR 56 HH TYR 56 -7.984 9.227 5.710 436 H VAL 57 H VAL 57 -1.287 3.223 7.421 437 HA VAL 57 HA VAL 57 -1.894 0.407 7.846 438 HB VAL 57 HB VAL 57 -1.182 -0.413 5.907 439 1HG1 VAL 57 1HG1 VAL 57 -1.760 2.446 5.154 440 2HG1 VAL 57 2HG1 VAL 57 -2.822 1.044 5.024 441 3HG1 VAL 57 3HG1 VAL 57 -1.433 1.204 3.948 442 1HG2 VAL 57 1HG2 VAL 57 1.104 -0.017 6.009 443 2HG2 VAL 57 2HG2 VAL 57 0.900 1.735 5.982 444 3HG2 VAL 57 3HG2 VAL 57 0.640 0.795 4.513 445 H VAL 58 H VAL 58 0.350 -0.817 7.893 446 HA VAL 58 HA VAL 58 2.396 0.877 9.135 447 HB VAL 58 HB VAL 58 1.083 -0.297 10.926 448 1HG1 VAL 58 1HG1 VAL 58 0.686 -2.482 10.915 449 2HG1 VAL 58 2HG1 VAL 58 2.380 -2.860 10.601 450 3HG1 VAL 58 3HG1 VAL 58 1.293 -2.502 9.261 451 1HG2 VAL 58 1HG2 VAL 58 3.042 -1.019 12.178 452 2HG2 VAL 58 2HG2 VAL 58 3.379 0.460 11.278 453 3HG2 VAL 58 3HG2 VAL 58 3.982 -1.088 10.686 454 H VAL 59 H VAL 59 4.264 0.634 8.108 455 HA VAL 59 HA VAL 59 4.575 -1.225 6.030 456 HB VAL 59 HB VAL 59 6.792 0.327 7.351 457 1HG1 VAL 59 1HG1 VAL 59 7.489 0.121 4.773 458 2HG1 VAL 59 2HG1 VAL 59 6.555 -1.365 4.928 459 3HG1 VAL 59 3HG1 VAL 59 7.941 -1.084 5.981 460 1HG2 VAL 59 1HG2 VAL 59 4.585 1.445 6.269 461 2HG2 VAL 59 2HG2 VAL 59 5.591 1.272 4.830 462 3HG2 VAL 59 3HG2 VAL 59 6.185 2.186 6.218 463 H LEU 60 H LEU 60 5.878 -2.934 5.736 464 HA LEU 60 HA LEU 60 6.633 -4.422 8.113 465 1HB LEU 60 2HB LEU 60 5.225 -5.098 5.717 466 2HB LEU 60 1HB LEU 60 6.700 -6.039 5.783 467 HG LEU 60 HG LEU 60 6.063 -7.120 7.773 468 1HD1 LEU 60 1HD1 LEU 60 5.295 -5.565 9.267 469 2HD1 LEU 60 2HD1 LEU 60 3.781 -6.355 8.827 470 3HD1 LEU 60 3HD1 LEU 60 4.215 -4.811 8.095 471 1HD2 LEU 60 1HD2 LEU 60 4.837 -7.847 5.753 472 2HD2 LEU 60 2HD2 LEU 60 3.517 -6.765 6.197 473 3HD2 LEU 60 3HD2 LEU 60 3.935 -8.123 7.242 474 H SER 61 H SER 61 8.526 -5.802 7.795 475 HA SER 61 HA SER 61 10.757 -6.101 7.457 476 1HB SER 61 2HB SER 61 10.016 -6.404 5.100 477 2HB SER 61 1HB SER 61 10.255 -4.678 4.832 478 HG SER 61 HG SER 61 12.249 -6.546 5.607 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 15.189 -8.182 3.091 2 2H GLY 1 2HT GLY 1 14.732 -6.562 2.931 3 3H GLY 1 3HT GLY 1 16.357 -6.961 3.178 4 1HA GLY 1 1HA GLY 1 16.570 -6.796 0.978 5 2HA GLY 1 2HA GLY 1 15.810 -8.380 0.968 6 H SER 2 H SER 2 13.224 -7.903 1.501 7 HA SER 2 HA SER 2 12.404 -6.245 -0.783 8 1HB SER 2 2HB SER 2 11.538 -8.837 0.249 9 2HB SER 2 1HB SER 2 10.183 -7.737 -0.027 10 HG SER 2 HG SER 2 10.751 -8.973 -1.892 11 H HIS 3 H HIS 3 11.364 -4.401 -0.410 12 HA HIS 3 HA HIS 3 10.561 -3.730 2.286 13 1HB HIS 3 2HB HIS 3 9.630 -1.661 0.721 14 2HB HIS 3 1HB HIS 3 11.197 -1.720 1.513 15 HD1 HIS 3 1HD HIS 3 9.668 -2.672 -1.837 16 HD2 HIS 3 2HD HIS 3 13.283 -1.442 -0.199 17 HE1 HIS 3 1HE HIS 3 11.214 -2.345 -3.793 18 HE2 HIS 3 2HE HIS 3 13.420 -1.687 -2.770 19 H VAL 4 H VAL 4 8.649 -4.187 3.091 20 HA VAL 4 HA VAL 4 6.361 -4.360 1.246 21 HB VAL 4 HB VAL 4 6.038 -6.068 3.562 22 1HG1 VAL 4 1HG1 VAL 4 5.952 -6.471 0.583 23 2HG1 VAL 4 2HG1 VAL 4 4.595 -6.283 1.693 24 3HG1 VAL 4 3HG1 VAL 4 5.580 -7.746 1.743 25 1HG2 VAL 4 1HG2 VAL 4 8.284 -6.834 1.702 26 2HG2 VAL 4 2HG2 VAL 4 7.653 -7.776 3.054 27 3HG2 VAL 4 3HG2 VAL 4 8.502 -6.260 3.356 28 H VAL 5 H VAL 5 4.254 -4.252 2.410 29 HA VAL 5 HA VAL 5 4.380 -2.678 4.860 30 HB VAL 5 HB VAL 5 3.986 -0.824 3.712 31 1HG1 VAL 5 1HG1 VAL 5 2.607 -1.228 1.358 32 2HG1 VAL 5 2HG1 VAL 5 3.661 -2.629 1.498 33 3HG1 VAL 5 3HG1 VAL 5 4.341 -1.013 1.559 34 1HG2 VAL 5 1HG2 VAL 5 1.624 -0.323 3.132 35 2HG2 VAL 5 2HG2 VAL 5 1.864 -0.946 4.765 36 3HG2 VAL 5 3HG2 VAL 5 1.230 -2.002 3.500 37 H GLN 6 H GLN 6 2.339 -2.585 6.021 38 HA GLN 6 HA GLN 6 0.582 -4.855 5.365 39 1HB GLN 6 2HB GLN 6 2.499 -4.926 7.350 40 2HB GLN 6 1HB GLN 6 1.036 -4.492 8.231 41 1HG GLN 6 2HG GLN 6 0.038 -6.492 7.856 42 2HG GLN 6 1HG GLN 6 0.832 -6.723 6.299 43 1HE2 GLN 6 1HE2 GLN 6 1.746 -6.389 9.715 44 2HE2 GLN 6 2HE2 GLN 6 2.877 -7.695 9.719 45 H THR 7 H THR 7 -1.563 -4.628 5.824 46 HA THR 7 HA THR 7 -2.347 -2.030 6.960 47 HB THR 7 HB THR 7 -4.542 -3.199 5.612 48 HG1 THR 7 1HG THR 7 -3.719 -3.576 3.599 49 1HG2 THR 7 1HG2 THR 7 -2.878 -1.032 4.415 50 2HG2 THR 7 2HG2 THR 7 -3.802 -0.743 5.889 51 3HG2 THR 7 3HG2 THR 7 -4.630 -1.237 4.412 52 H LEU 8 H LEU 8 -4.487 -2.012 8.008 53 HA LEU 8 HA LEU 8 -4.898 -4.474 9.565 54 1HB LEU 8 2HB LEU 8 -5.808 -2.284 11.084 55 2HB LEU 8 1HB LEU 8 -4.465 -3.347 11.432 56 HG LEU 8 HG LEU 8 -3.752 -1.054 11.580 57 1HD1 LEU 8 1HD1 LEU 8 -2.419 -1.546 9.058 58 2HD1 LEU 8 2HD1 LEU 8 -2.504 -2.996 10.058 59 3HD1 LEU 8 3HD1 LEU 8 -1.771 -1.526 10.698 60 1HD2 LEU 8 1HD2 LEU 8 -4.512 0.552 10.260 61 2HD2 LEU 8 2HD2 LEU 8 -5.520 -0.648 9.454 62 3HD2 LEU 8 3HD2 LEU 8 -3.917 -0.275 8.821 63 H TYR 9 H TYR 9 -6.327 -1.725 7.958 64 HA TYR 9 HA TYR 9 -8.967 -3.000 8.228 65 1HB TYR 9 2HB TYR 9 -8.506 -0.021 8.008 66 2HB TYR 9 1HB TYR 9 -10.021 -0.847 8.352 67 HD1 TYR 9 1HD TYR 9 -7.277 0.839 9.771 68 HD2 TYR 9 2HD TYR 9 -10.018 -2.326 10.526 69 HE1 TYR 9 1HE TYR 9 -6.829 1.033 12.180 70 HE2 TYR 9 2HE TYR 9 -9.578 -2.139 12.937 71 HH TYR 9 HH TYR 9 -8.600 0.115 14.461 72 HA PRO 10 HA PRO 10 -9.634 -3.188 3.884 73 1HB PRO 10 2HB PRO 10 -11.722 -1.070 4.236 74 2HB PRO 10 1HB PRO 10 -11.808 -2.594 3.344 75 1HG PRO 10 2HG PRO 10 -12.930 -2.368 5.747 76 2HG PRO 10 1HG PRO 10 -12.096 -3.858 5.268 77 1HD PRO 10 2HD PRO 10 -11.239 -1.734 7.158 78 2HD PRO 10 1HD PRO 10 -10.852 -3.465 7.152 79 H PHE 11 H PHE 11 -9.094 -2.135 1.972 80 HA PHE 11 HA PHE 11 -7.709 0.410 2.337 81 1HB PHE 11 2HB PHE 11 -6.339 -1.239 1.311 82 2HB PHE 11 1HB PHE 11 -7.613 -1.704 0.189 83 HD1 PHE 11 1HD PHE 11 -6.284 1.660 1.079 84 HD2 PHE 11 2HD PHE 11 -6.796 -1.308 -1.926 85 HE1 PHE 11 1HE PHE 11 -5.375 3.211 -0.602 86 HE2 PHE 11 2HE PHE 11 -5.887 0.235 -3.609 87 HZ PHE 11 HZ PHE 11 -5.173 2.497 -2.951 88 H SER 12 H SER 12 -8.409 2.278 1.514 89 HA SER 12 HA SER 12 -10.551 2.214 -0.503 90 1HB SER 12 2HB SER 12 -10.442 3.730 2.085 91 2HB SER 12 1HB SER 12 -11.349 4.378 0.719 92 HG SER 12 HG SER 12 -12.830 3.149 1.660 93 H SER 13 H SER 13 -10.508 3.827 -2.055 94 HA SER 13 HA SER 13 -8.838 6.108 -1.935 95 1HB SER 13 2HB SER 13 -7.689 3.627 -3.055 96 2HB SER 13 1HB SER 13 -7.495 5.064 -4.057 97 HG SER 13 HG SER 13 -6.260 5.973 -2.556 98 H VAL 14 H VAL 14 -8.818 7.310 -3.998 99 HA VAL 14 HA VAL 14 -10.366 6.505 -6.215 100 HB VAL 14 HB VAL 14 -12.244 6.719 -4.690 101 1HG1 VAL 14 1HG1 VAL 14 -11.862 9.642 -4.418 102 2HG1 VAL 14 2HG1 VAL 14 -10.874 8.584 -3.410 103 3HG1 VAL 14 3HG1 VAL 14 -12.633 8.490 -3.328 104 1HG2 VAL 14 1HG2 VAL 14 -12.463 7.382 -7.090 105 2HG2 VAL 14 2HG2 VAL 14 -12.228 9.058 -6.593 106 3HG2 VAL 14 3HG2 VAL 14 -13.628 8.154 -6.016 107 H THR 15 H THR 15 -8.587 7.373 -7.298 108 HA THR 15 HA THR 15 -8.795 10.173 -7.886 109 HB THR 15 HB THR 15 -6.078 9.354 -6.944 110 HG1 THR 15 1HG THR 15 -8.090 10.407 -5.248 111 1HG2 THR 15 1HG2 THR 15 -6.538 11.911 -6.121 112 2HG2 THR 15 2HG2 THR 15 -7.441 11.835 -7.634 113 3HG2 THR 15 3HG2 THR 15 -5.721 11.448 -7.613 114 H GLU 16 H GLU 16 -6.963 10.810 -9.469 115 HA GLU 16 HA GLU 16 -7.091 9.059 -11.669 116 1HB GLU 16 2HB GLU 16 -6.726 11.098 -12.545 117 2HB GLU 16 1HB GLU 16 -5.981 11.693 -11.070 118 1HG GLU 16 2HG GLU 16 -4.424 11.855 -12.885 119 2HG GLU 16 1HG GLU 16 -3.866 10.634 -11.742 120 H GLU 17 H GLU 17 -4.707 9.526 -9.150 121 HA GLU 17 HA GLU 17 -2.899 7.623 -10.455 122 1HB GLU 17 2HB GLU 17 -2.303 9.045 -7.873 123 2HB GLU 17 1HB GLU 17 -1.181 8.385 -9.052 124 1HG GLU 17 2HG GLU 17 -1.304 10.203 -10.407 125 2HG GLU 17 1HG GLU 17 -2.957 10.587 -9.934 126 H GLU 18 H GLU 18 -4.441 8.175 -7.296 127 HA GLU 18 HA GLU 18 -3.694 5.707 -6.166 128 1HB GLU 18 2HB GLU 18 -6.247 7.112 -5.426 129 2HB GLU 18 1HB GLU 18 -5.148 6.212 -4.394 130 1HG GLU 18 2HG GLU 18 -3.477 8.021 -4.696 131 2HG GLU 18 1HG GLU 18 -4.693 8.935 -5.584 132 H LEU 19 H LEU 19 -5.027 3.806 -5.793 133 HA LEU 19 HA LEU 19 -7.467 3.542 -7.325 134 1HB LEU 19 2HB LEU 19 -6.835 1.876 -8.790 135 2HB LEU 19 1HB LEU 19 -5.479 2.978 -8.837 136 HG LEU 19 HG LEU 19 -4.473 0.902 -8.821 137 1HD1 LEU 19 1HD1 LEU 19 -3.897 2.493 -6.812 138 2HD1 LEU 19 2HD1 LEU 19 -3.142 0.915 -7.019 139 3HD1 LEU 19 3HD1 LEU 19 -4.473 1.109 -5.882 140 1HD2 LEU 19 1HD2 LEU 19 -5.731 -0.375 -6.534 141 2HD2 LEU 19 2HD2 LEU 19 -5.426 -0.996 -8.158 142 3HD2 LEU 19 3HD2 LEU 19 -6.866 -0.036 -7.839 143 H ASN 20 H ASN 20 -8.632 1.509 -6.851 144 HA ASN 20 HA ASN 20 -8.117 0.761 -4.067 145 1HB ASN 20 2HB ASN 20 -10.502 -0.103 -4.183 146 2HB ASN 20 1HB ASN 20 -10.292 1.639 -4.339 147 1HD2 ASN 20 1HD2 ASN 20 -10.598 -1.312 -6.265 148 2HD2 ASN 20 2HD2 ASN 20 -11.467 -0.579 -7.567 149 H PHE 21 H PHE 21 -8.343 -1.340 -3.304 150 HA PHE 21 HA PHE 21 -8.106 -3.527 -5.261 151 1HB PHE 21 2HB PHE 21 -6.438 -3.296 -2.753 152 2HB PHE 21 1HB PHE 21 -6.351 -4.567 -3.961 153 HD1 PHE 21 1HD PHE 21 -5.913 -3.601 -6.429 154 HD2 PHE 21 2HD PHE 21 -4.794 -1.734 -2.776 155 HE1 PHE 21 1HE PHE 21 -4.133 -2.384 -7.591 156 HE2 PHE 21 2HE PHE 21 -3.013 -0.505 -3.938 157 HZ PHE 21 HZ PHE 21 -2.677 -0.836 -6.352 158 H GLU 22 H GLU 22 -8.466 -5.674 -4.239 159 HA GLU 22 HA GLU 22 -10.836 -5.709 -2.685 160 1HB GLU 22 2HB GLU 22 -9.369 -7.563 -4.186 161 2HB GLU 22 1HB GLU 22 -9.304 -8.182 -2.542 162 1HG GLU 22 2HG GLU 22 -11.720 -8.168 -2.408 163 2HG GLU 22 1HG GLU 22 -11.825 -7.456 -4.018 164 H LYS 23 H LYS 23 -10.084 -7.849 -0.778 165 HA LYS 23 HA LYS 23 -9.532 -6.322 1.459 166 1HB LYS 23 2HB LYS 23 -10.011 -8.279 2.428 167 2HB LYS 23 1HB LYS 23 -9.883 -9.083 0.877 168 1HG LYS 23 2HG LYS 23 -8.473 -10.208 2.447 169 2HG LYS 23 1HG LYS 23 -7.459 -9.386 1.267 170 1HD LYS 23 2HD LYS 23 -7.020 -9.290 3.913 171 2HD LYS 23 1HD LYS 23 -6.556 -7.989 2.819 172 1HE LYS 23 2HE LYS 23 -7.681 -7.089 4.769 173 2HE LYS 23 1HE LYS 23 -8.681 -6.843 3.339 174 1HZ LYS 23 1HZ LYS 23 -9.600 -9.190 4.204 175 2HZ LYS 23 2HZ LYS 23 -10.266 -7.702 4.656 176 3HZ LYS 23 3HZ LYS 23 -9.169 -8.483 5.679 177 H GLY 24 H GLY 24 -7.774 -5.367 2.232 178 1HA GLY 24 2HA GLY 24 -5.157 -6.216 1.162 179 2HA GLY 24 1HA GLY 24 -5.590 -4.525 1.355 180 H GLU 25 H GLU 25 -4.777 -7.483 3.023 181 HA GLU 25 HA GLU 25 -4.489 -6.063 5.546 182 1HB GLU 25 2HB GLU 25 -5.329 -8.645 4.936 183 2HB GLU 25 1HB GLU 25 -3.700 -8.865 5.563 184 1HG GLU 25 2HG GLU 25 -4.243 -8.058 7.644 185 2HG GLU 25 1HG GLU 25 -5.624 -7.142 7.042 186 H THR 26 H THR 26 -2.774 -7.290 2.905 187 HA THR 26 HA THR 26 -0.252 -6.417 4.076 188 HB THR 26 HB THR 26 0.784 -8.414 2.780 189 HG1 THR 26 1HG THR 26 -1.170 -9.115 1.840 190 1HG2 THR 26 1HG2 THR 26 1.258 -8.963 4.870 191 2HG2 THR 26 2HG2 THR 26 -0.243 -9.890 4.889 192 3HG2 THR 26 3HG2 THR 26 -0.227 -8.224 5.469 193 H MET 27 H MET 27 0.844 -5.132 2.764 194 HA MET 27 HA MET 27 0.469 -5.310 -0.136 195 1HB MET 27 2HB MET 27 -0.142 -2.964 1.600 196 2HB MET 27 1HB MET 27 0.584 -2.660 0.029 197 1HG MET 27 2HG MET 27 -1.565 -2.579 -0.620 198 2HG MET 27 1HG MET 27 -1.363 -4.328 -0.718 199 1HE MET 27 1HE MET 27 -4.610 -3.573 -0.278 200 2HE MET 27 2HE MET 27 -3.655 -2.093 -0.338 201 3HE MET 27 3HE MET 27 -4.705 -2.409 1.043 202 H GLU 28 H GLU 28 2.164 -4.003 -1.308 203 HA GLU 28 HA GLU 28 4.634 -3.832 0.300 204 1HB GLU 28 2HB GLU 28 4.697 -4.603 -2.582 205 2HB GLU 28 1HB GLU 28 5.901 -4.892 -1.342 206 1HG GLU 28 2HG GLU 28 4.027 -6.398 -0.306 207 2HG GLU 28 1HG GLU 28 3.402 -6.392 -1.954 208 H VAL 29 H VAL 29 5.316 -1.824 0.373 209 HA VAL 29 HA VAL 29 4.639 0.025 -1.779 210 HB VAL 29 HB VAL 29 5.580 0.407 1.052 211 1HG1 VAL 29 1HG1 VAL 29 5.229 2.935 0.344 212 2HG1 VAL 29 2HG1 VAL 29 5.780 2.316 -1.213 213 3HG1 VAL 29 3HG1 VAL 29 6.799 2.144 0.217 214 1HG2 VAL 29 1HG2 VAL 29 3.097 0.164 0.002 215 2HG2 VAL 29 2HG2 VAL 29 3.308 1.915 -0.024 216 3HG2 VAL 29 3HG2 VAL 29 3.474 1.028 1.492 217 H ILE 30 H ILE 30 6.044 0.662 -3.233 218 HA ILE 30 HA ILE 30 8.704 -0.410 -3.242 219 HB ILE 30 HB ILE 30 8.728 1.251 -5.385 220 1HG1 ILE 30 2HG1 ILE 30 6.222 1.746 -4.629 221 2HG1 ILE 30 1HG1 ILE 30 6.667 1.645 -6.323 222 1HG2 ILE 30 1HG2 ILE 30 7.698 -0.866 -6.568 223 2HG2 ILE 30 2HG2 ILE 30 7.912 -1.569 -4.964 224 3HG2 ILE 30 3HG2 ILE 30 9.298 -0.903 -5.827 225 1HD1 ILE 30 1HD1 ILE 30 5.410 -0.541 -4.688 226 2HD1 ILE 30 2HD1 ILE 30 5.898 -0.681 -6.376 227 3HD1 ILE 30 3HD1 ILE 30 4.619 0.438 -5.919 228 H GLU 31 H GLU 31 7.831 2.939 -4.068 229 HA GLU 31 HA GLU 31 10.367 3.832 -3.011 230 1HB GLU 31 2HB GLU 31 9.736 6.022 -3.935 231 2HB GLU 31 1HB GLU 31 9.606 4.736 -5.128 232 1HG GLU 31 2HG GLU 31 7.088 4.807 -4.058 233 2HG GLU 31 1HG GLU 31 7.562 6.506 -4.046 234 H LYS 32 H LYS 32 10.743 4.989 -1.228 235 HA LYS 32 HA LYS 32 8.550 5.332 0.653 236 1HB LYS 32 2HB LYS 32 11.481 5.779 1.183 237 2HB LYS 32 1HB LYS 32 10.204 5.452 2.340 238 1HG LYS 32 2HG LYS 32 11.373 3.532 0.350 239 2HG LYS 32 1HG LYS 32 11.549 3.493 2.105 240 1HD LYS 32 2HD LYS 32 9.348 2.813 2.436 241 2HD LYS 32 1HD LYS 32 8.833 3.374 0.844 242 1HE LYS 32 2HE LYS 32 9.386 0.779 1.509 243 2HE LYS 32 1HE LYS 32 9.349 1.431 -0.128 244 1HZ LYS 32 1HZ LYS 32 11.665 1.627 -0.170 245 2HZ LYS 32 2HZ LYS 32 11.396 0.127 0.561 246 3HZ LYS 32 3HZ LYS 32 11.817 1.463 1.509 247 HA PRO 33 HA PRO 33 8.455 9.715 0.237 248 1HB PRO 33 2HB PRO 33 8.081 10.120 3.096 249 2HB PRO 33 1HB PRO 33 6.908 10.280 1.787 250 1HG PRO 33 2HG PRO 33 6.779 8.297 3.630 251 2HG PRO 33 1HG PRO 33 6.216 8.095 1.959 252 1HD PRO 33 2HD PRO 33 8.806 7.226 3.202 253 2HD PRO 33 1HD PRO 33 7.737 6.337 2.097 254 H GLU 34 H GLU 34 11.032 8.284 1.632 255 HA GLU 34 HA GLU 34 12.302 10.289 3.108 256 1HB GLU 34 2HB GLU 34 14.395 9.095 2.584 257 2HB GLU 34 1HB GLU 34 13.119 7.996 3.088 258 1HG GLU 34 2HG GLU 34 12.756 7.263 0.859 259 2HG GLU 34 1HG GLU 34 13.794 8.532 0.210 260 H ASN 35 H ASN 35 12.044 9.750 -0.342 261 HA ASN 35 HA ASN 35 13.802 12.025 -0.890 262 1HB ASN 35 2HB ASN 35 13.460 11.300 -3.301 263 2HB ASN 35 1HB ASN 35 14.307 10.151 -2.270 264 1HD2 ASN 35 1HD2 ASN 35 13.590 8.141 -2.221 265 2HD2 ASN 35 2HD2 ASN 35 12.058 7.601 -2.811 266 H ASP 36 H ASP 36 10.508 10.876 -1.500 267 HA ASP 36 HA ASP 36 9.717 13.665 -2.027 268 1HB ASP 36 2HB ASP 36 9.064 11.158 -3.486 269 2HB ASP 36 1HB ASP 36 7.765 12.330 -3.296 270 HA PRO 37 HA PRO 37 7.300 12.441 1.627 271 1HB PRO 37 2HB PRO 37 6.978 14.917 2.626 272 2HB PRO 37 1HB PRO 37 8.496 14.028 2.802 273 1HG PRO 37 2HG PRO 37 7.780 16.190 0.860 274 2HG PRO 37 1HG PRO 37 9.282 15.958 1.773 275 1HD PRO 37 2HD PRO 37 8.972 15.239 -0.848 276 2HD PRO 37 1HD PRO 37 10.114 14.454 0.260 277 H GLU 38 H GLU 38 5.919 12.245 -0.661 278 HA GLU 38 HA GLU 38 3.587 13.985 -0.248 279 1HB GLU 38 2HB GLU 38 5.147 13.498 -2.603 280 2HB GLU 38 1HB GLU 38 3.515 12.905 -2.858 281 1HG GLU 38 2HG GLU 38 4.292 15.689 -2.020 282 2HG GLU 38 1HG GLU 38 3.732 15.194 -3.616 283 H TRP 39 H TRP 39 4.089 11.061 -2.207 284 HA TRP 39 HA TRP 39 2.394 9.489 -0.443 285 1HB TRP 39 2HB TRP 39 1.562 9.435 -3.294 286 2HB TRP 39 1HB TRP 39 0.600 9.174 -1.850 287 HD1 TRP 39 HD TRP 39 -0.248 11.462 -0.560 288 HE1 TRP 39 1HE TRP 39 -0.812 13.776 -1.539 289 HE3 TRP 39 3HE TRP 39 2.169 11.056 -5.046 290 HZ2 TRP 39 2HZ TRP 39 -0.297 15.236 -3.904 291 HZ3 TRP 39 3HZ TRP 39 2.085 12.953 -6.610 292 HH2 TRP 39 HH TRP 39 0.877 14.999 -6.049 293 H TRP 40 H TRP 40 2.333 7.211 -1.035 294 HA TRP 40 HA TRP 40 4.577 6.447 -2.781 295 1HB TRP 40 2HB TRP 40 4.566 4.286 -1.352 296 2HB TRP 40 1HB TRP 40 5.319 5.731 -0.693 297 HD1 TRP 40 HD TRP 40 1.640 4.435 -0.568 298 HE1 TRP 40 1HE TRP 40 0.879 4.523 1.879 299 HE3 TRP 40 3HE TRP 40 5.936 6.160 1.554 300 HZ2 TRP 40 2HZ TRP 40 1.970 5.248 4.401 301 HZ3 TRP 40 3HZ TRP 40 6.011 6.527 3.981 302 HH2 TRP 40 HH TRP 40 4.062 6.080 5.377 303 H LYS 41 H LYS 41 4.196 3.900 -3.286 304 HA LYS 41 HA LYS 41 1.438 3.354 -3.881 305 1HB LYS 41 2HB LYS 41 2.050 2.903 -6.330 306 2HB LYS 41 1HB LYS 41 1.749 4.560 -5.838 307 1HG LYS 41 2HG LYS 41 3.624 4.732 -7.136 308 2HG LYS 41 1HG LYS 41 4.299 4.677 -5.515 309 1HD LYS 41 2HD LYS 41 5.634 3.117 -6.517 310 2HD LYS 41 1HD LYS 41 4.296 2.083 -6.044 311 1HE LYS 41 2HE LYS 41 5.314 2.614 -8.655 312 2HE LYS 41 1HE LYS 41 4.093 1.448 -8.147 313 1HZ LYS 41 1HZ LYS 41 3.683 4.254 -9.013 314 2HZ LYS 41 2HZ LYS 41 2.481 3.365 -8.222 315 3HZ LYS 41 3HZ LYS 41 3.071 2.843 -9.718 316 H CYS 42 H CYS 42 0.982 1.220 -4.081 317 HA CYS 42 HA CYS 42 3.273 -0.607 -4.107 318 1HB CYS 42 2HB CYS 42 1.873 -2.026 -2.467 319 2HB CYS 42 1HB CYS 42 2.703 -0.615 -1.821 320 HG CYS 42 HG CYS 42 0.267 0.591 -2.052 321 H LYS 43 H LYS 43 2.793 -2.747 -4.871 322 HA LYS 43 HA LYS 43 0.652 -2.748 -6.841 323 1HB LYS 43 2HB LYS 43 1.768 -4.696 -7.783 324 2HB LYS 43 1HB LYS 43 2.918 -3.388 -7.549 325 1HG LYS 43 2HG LYS 43 3.312 -4.626 -5.248 326 2HG LYS 43 1HG LYS 43 2.710 -6.005 -6.170 327 1HD LYS 43 2HD LYS 43 4.761 -4.325 -7.482 328 2HD LYS 43 1HD LYS 43 5.295 -5.295 -6.109 329 1HE LYS 43 2HE LYS 43 5.575 -6.474 -8.248 330 2HE LYS 43 1HE LYS 43 4.460 -7.308 -7.166 331 1HZ LYS 43 1HZ LYS 43 3.280 -5.415 -9.035 332 2HZ LYS 43 2HZ LYS 43 2.716 -6.924 -8.521 333 3HZ LYS 43 3HZ LYS 43 3.917 -6.831 -9.709 334 H ASN 44 H ASN 44 -1.043 -4.036 -6.850 335 HA ASN 44 HA ASN 44 -1.464 -5.744 -4.501 336 1HB ASN 44 2HB ASN 44 -2.996 -3.695 -5.078 337 2HB ASN 44 1HB ASN 44 -3.697 -4.797 -6.254 338 1HD2 ASN 44 1HD2 ASN 44 -3.281 -4.061 -2.899 339 2HD2 ASN 44 2HD2 ASN 44 -4.437 -5.193 -2.293 340 H ALA 45 H ALA 45 -3.178 -7.507 -5.050 341 HA ALA 45 HA ALA 45 -1.985 -9.129 -7.055 342 1HB ALA 45 1HB ALA 45 -4.483 -9.522 -5.412 343 2HB ALA 45 2HB ALA 45 -2.880 -10.178 -5.083 344 3HB ALA 45 3HB ALA 45 -3.794 -10.742 -6.482 345 H ARG 46 H ARG 46 -4.039 -6.584 -7.279 346 HA ARG 46 HA ARG 46 -5.773 -7.541 -9.374 347 1HB ARG 46 2HB ARG 46 -5.291 -4.883 -8.057 348 2HB ARG 46 1HB ARG 46 -6.281 -5.013 -9.500 349 1HG ARG 46 2HG ARG 46 -7.398 -5.012 -7.186 350 2HG ARG 46 1HG ARG 46 -7.964 -6.149 -8.407 351 1HD ARG 46 2HD ARG 46 -5.869 -6.928 -6.407 352 2HD ARG 46 1HD ARG 46 -7.578 -6.971 -5.987 353 HE ARG 46 HE ARG 46 -6.195 -8.883 -7.529 354 1HH1 ARG 46 1HH1 ARG 46 -9.252 -7.208 -7.379 355 2HH1 ARG 46 2HH1 ARG 46 -10.125 -8.472 -8.180 356 1HH2 ARG 46 1HH2 ARG 46 -7.342 -10.548 -8.575 357 2HH2 ARG 46 2HH2 ARG 46 -9.042 -10.367 -8.856 358 H GLY 47 H GLY 47 -2.561 -6.729 -9.232 359 1HA GLY 47 2HA GLY 47 -1.018 -6.448 -10.931 360 2HA GLY 47 1HA GLY 47 -2.345 -6.430 -12.085 361 H GLN 48 H GLN 48 -3.000 -4.288 -9.634 362 HA GLN 48 HA GLN 48 -1.918 -2.016 -11.151 363 1HB GLN 48 2HB GLN 48 -4.017 -0.930 -9.817 364 2HB GLN 48 1HB GLN 48 -4.085 -1.506 -11.470 365 1HG GLN 48 2HG GLN 48 -4.719 -3.779 -10.316 366 2HG GLN 48 1HG GLN 48 -5.194 -2.711 -8.996 367 1HE2 GLN 48 1HE2 GLN 48 -6.074 -0.533 -10.498 368 2HE2 GLN 48 2HE2 GLN 48 -7.517 -0.988 -11.333 369 H VAL 49 H VAL 49 -0.902 -0.413 -10.093 370 HA VAL 49 HA VAL 49 -0.967 -0.457 -7.168 371 HB VAL 49 HB VAL 49 1.135 -1.356 -7.277 372 1HG1 VAL 49 1HG1 VAL 49 1.178 -1.454 -9.727 373 2HG1 VAL 49 2HG1 VAL 49 2.739 -1.103 -8.982 374 3HG1 VAL 49 3HG1 VAL 49 1.805 0.194 -9.731 375 1HG2 VAL 49 1HG2 VAL 49 2.061 1.429 -7.789 376 2HG2 VAL 49 2HG2 VAL 49 2.644 0.256 -6.608 377 3HG2 VAL 49 3HG2 VAL 49 1.095 1.062 -6.359 378 H GLY 50 H GLY 50 -1.419 1.437 -6.377 379 1HA GLY 50 2HA GLY 50 -0.808 3.814 -7.991 380 2HA GLY 50 1HA GLY 50 -2.409 3.580 -7.315 381 H LEU 51 H LEU 51 -1.931 5.662 -6.339 382 HA LEU 51 HA LEU 51 0.032 5.651 -4.231 383 1HB LEU 51 2HB LEU 51 -1.796 7.682 -5.406 384 2HB LEU 51 1HB LEU 51 -1.079 7.981 -3.834 385 HG LEU 51 HG LEU 51 0.913 8.488 -4.721 386 1HD1 LEU 51 1HD1 LEU 51 0.540 6.112 -6.478 387 2HD1 LEU 51 2HD1 LEU 51 1.729 6.387 -5.206 388 3HD1 LEU 51 3HD1 LEU 51 1.862 7.247 -6.738 389 1HD2 LEU 51 1HD2 LEU 51 -1.030 9.341 -6.383 390 2HD2 LEU 51 2HD2 LEU 51 0.011 8.463 -7.503 391 3HD2 LEU 51 3HD2 LEU 51 0.671 9.781 -6.536 392 H VAL 52 H VAL 52 -0.270 5.277 -2.174 393 HA VAL 52 HA VAL 52 -3.010 5.183 -1.105 394 HB VAL 52 HB VAL 52 -2.375 2.899 -1.595 395 1HG1 VAL 52 1HG1 VAL 52 0.077 3.419 0.087 396 2HG1 VAL 52 2HG1 VAL 52 0.045 3.226 -1.666 397 3HG1 VAL 52 3HG1 VAL 52 -0.383 1.872 -0.622 398 1HG2 VAL 52 1HG2 VAL 52 -2.290 3.598 1.337 399 2HG2 VAL 52 2HG2 VAL 52 -2.375 1.940 0.745 400 3HG2 VAL 52 3HG2 VAL 52 -3.676 3.071 0.385 401 HA PRO 53 HA PRO 53 -1.025 7.359 2.294 402 1HB PRO 53 2HB PRO 53 -3.149 7.879 3.714 403 2HB PRO 53 1HB PRO 53 -3.164 8.402 2.015 404 1HG PRO 53 2HG PRO 53 -4.216 5.830 3.165 405 2HG PRO 53 1HG PRO 53 -5.147 7.056 2.261 406 1HD PRO 53 2HD PRO 53 -4.059 4.884 1.069 407 2HD PRO 53 1HD PRO 53 -4.142 6.458 0.244 408 H LYS 54 H LYS 54 -0.250 4.803 2.564 409 HA LYS 54 HA LYS 54 -1.275 3.070 4.373 410 1HB LYS 54 2HB LYS 54 1.435 3.677 3.448 411 2HB LYS 54 1HB LYS 54 1.365 2.830 4.973 412 1HG LYS 54 2HG LYS 54 1.531 1.531 2.736 413 2HG LYS 54 1HG LYS 54 0.498 0.941 4.028 414 1HD LYS 54 2HD LYS 54 -1.065 2.693 2.459 415 2HD LYS 54 1HD LYS 54 -0.186 1.648 1.348 416 1HE LYS 54 2HE LYS 54 -1.246 0.158 3.589 417 2HE LYS 54 1HE LYS 54 -2.517 1.033 2.737 418 1HZ LYS 54 1HZ LYS 54 -2.202 -1.160 1.803 419 2HZ LYS 54 2HZ LYS 54 -0.567 -0.840 1.507 420 3HZ LYS 54 3HZ LYS 54 -1.761 0.016 0.669 421 H ASN 55 H ASN 55 -0.342 6.234 5.199 422 HA ASN 55 HA ASN 55 0.742 6.117 7.693 423 1HB ASN 55 2HB ASN 55 -0.347 8.102 6.214 424 2HB ASN 55 1HB ASN 55 -1.566 7.955 7.476 425 1HD2 ASN 55 1HD2 ASN 55 -0.170 7.402 9.686 426 2HD2 ASN 55 2HD2 ASN 55 0.928 8.681 10.061 427 H TYR 56 H TYR 56 -2.357 4.910 6.766 428 HA TYR 56 HA TYR 56 -3.207 4.673 9.566 429 1HB TYR 56 2HB TYR 56 -5.415 4.334 8.784 430 2HB TYR 56 1HB TYR 56 -4.761 5.615 7.777 431 HD1 TYR 56 1HD TYR 56 -6.018 2.200 7.843 432 HD2 TYR 56 2HD TYR 56 -4.208 5.192 5.426 433 HE1 TYR 56 1HE TYR 56 -6.637 0.937 5.828 434 HE2 TYR 56 2HE TYR 56 -4.816 3.937 3.403 435 HH TYR 56 HH TYR 56 -6.853 2.084 2.934 436 H VAL 57 H VAL 57 -1.065 3.123 8.423 437 HA VAL 57 HA VAL 57 -2.083 0.450 9.033 438 HB VAL 57 HB VAL 57 -1.542 -0.540 7.043 439 1HG1 VAL 57 1HG1 VAL 57 -2.003 2.263 6.045 440 2HG1 VAL 57 2HG1 VAL 57 -3.270 1.140 6.541 441 3HG1 VAL 57 3HG1 VAL 57 -2.262 0.770 5.142 442 1HG2 VAL 57 1HG2 VAL 57 0.803 0.024 7.022 443 2HG2 VAL 57 2HG2 VAL 57 0.431 1.658 6.481 444 3HG2 VAL 57 3HG2 VAL 57 0.110 0.286 5.427 445 H VAL 58 H VAL 58 -0.096 -1.117 8.911 446 HA VAL 58 HA VAL 58 2.174 0.230 10.221 447 HB VAL 58 HB VAL 58 1.035 -1.428 11.652 448 1HG1 VAL 58 1HG1 VAL 58 0.422 -3.471 10.986 449 2HG1 VAL 58 2HG1 VAL 58 1.967 -3.777 10.195 450 3HG1 VAL 58 3HG1 VAL 58 0.707 -2.879 9.349 451 1HG2 VAL 58 1HG2 VAL 58 2.962 -2.336 12.515 452 2HG2 VAL 58 2HG2 VAL 58 3.621 -1.046 11.508 453 3HG2 VAL 58 3HG2 VAL 58 3.627 -2.709 10.925 454 H VAL 59 H VAL 59 3.808 0.512 8.831 455 HA VAL 59 HA VAL 59 4.003 -0.954 6.408 456 HB VAL 59 HB VAL 59 6.155 0.779 7.611 457 1HG1 VAL 59 1HG1 VAL 59 6.246 1.008 4.873 458 2HG1 VAL 59 2HG1 VAL 59 5.830 -0.691 5.103 459 3HG1 VAL 59 3HG1 VAL 59 7.287 -0.035 5.850 460 1HG2 VAL 59 1HG2 VAL 59 4.005 1.612 5.667 461 2HG2 VAL 59 2HG2 VAL 59 5.213 2.636 6.442 462 3HG2 VAL 59 3HG2 VAL 59 3.924 1.912 7.403 463 H LEU 60 H LEU 60 5.508 -2.400 5.721 464 HA LEU 60 HA LEU 60 6.776 -3.963 7.800 465 1HB LEU 60 2HB LEU 60 5.371 -4.550 5.345 466 2HB LEU 60 1HB LEU 60 6.955 -5.295 5.343 467 HG LEU 60 HG LEU 60 6.443 -6.694 7.126 468 1HD1 LEU 60 1HD1 LEU 60 4.258 -6.286 8.455 469 2HD1 LEU 60 2HD1 LEU 60 4.400 -4.636 7.849 470 3HD1 LEU 60 3HD1 LEU 60 5.690 -5.329 8.832 471 1HD2 LEU 60 1HD2 LEU 60 3.640 -6.600 6.231 472 2HD2 LEU 60 2HD2 LEU 60 4.778 -7.946 6.264 473 3HD2 LEU 60 3HD2 LEU 60 4.847 -6.765 4.957 474 H SER 61 H SER 61 8.860 -4.848 7.255 475 HA SER 61 HA SER 61 10.531 -3.894 5.217 476 1HB SER 61 2HB SER 61 10.100 -1.897 7.006 477 2HB SER 61 1HB SER 61 11.522 -2.662 7.715 478 HG SER 61 HG SER 61 11.249 -1.632 5.086 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 14.503 -10.465 4.668 2 2H GLY 1 2HT GLY 1 13.827 -10.987 3.209 3 3H GLY 1 3HT GLY 1 13.205 -9.621 3.987 4 1HA GLY 1 1HA GLY 1 15.655 -8.766 3.730 5 2HA GLY 1 2HA GLY 1 15.651 -9.917 2.403 6 H SER 2 H SER 2 12.697 -9.427 2.046 7 HA SER 2 HA SER 2 13.003 -7.132 0.286 8 1HB SER 2 2HB SER 2 11.561 -9.545 0.143 9 2HB SER 2 1HB SER 2 10.342 -8.273 0.278 10 HG SER 2 HG SER 2 10.713 -8.140 -1.803 11 H HIS 3 H HIS 3 11.837 -5.249 0.418 12 HA HIS 3 HA HIS 3 10.771 -4.615 3.031 13 1HB HIS 3 2HB HIS 3 10.205 -2.405 1.533 14 2HB HIS 3 1HB HIS 3 11.710 -2.668 2.399 15 HD1 HIS 3 1HD HIS 3 13.802 -2.710 1.023 16 HD2 HIS 3 2HD HIS 3 10.371 -3.087 -1.291 17 HE1 HIS 3 1HE HIS 3 14.585 -2.592 -1.365 18 HE2 HIS 3 2HE HIS 3 12.498 -2.870 -2.748 19 H VAL 4 H VAL 4 8.744 -4.903 3.587 20 HA VAL 4 HA VAL 4 6.695 -4.851 1.473 21 HB VAL 4 HB VAL 4 5.988 -6.591 3.692 22 1HG1 VAL 4 1HG1 VAL 4 6.208 -6.978 0.708 23 2HG1 VAL 4 2HG1 VAL 4 4.756 -6.552 1.614 24 3HG1 VAL 4 3HG1 VAL 4 5.490 -8.142 1.820 25 1HG2 VAL 4 1HG2 VAL 4 8.215 -7.251 3.915 26 2HG2 VAL 4 2HG2 VAL 4 8.516 -7.149 2.180 27 3HG2 VAL 4 3HG2 VAL 4 7.521 -8.454 2.829 28 H VAL 5 H VAL 5 4.469 -4.596 2.382 29 HA VAL 5 HA VAL 5 4.492 -2.941 4.801 30 HB VAL 5 HB VAL 5 4.291 -1.230 3.318 31 1HG1 VAL 5 1HG1 VAL 5 3.677 -1.334 1.128 32 2HG1 VAL 5 2HG1 VAL 5 2.428 -2.534 1.415 33 3HG1 VAL 5 3HG1 VAL 5 4.121 -3.008 1.394 34 1HG2 VAL 5 1HG2 VAL 5 1.950 -0.521 3.061 35 2HG2 VAL 5 2HG2 VAL 5 2.334 -1.064 4.692 36 3HG2 VAL 5 3HG2 VAL 5 1.433 -2.117 3.599 37 H GLN 6 H GLN 6 2.390 -2.634 5.776 38 HA GLN 6 HA GLN 6 0.493 -4.818 5.263 39 1HB GLN 6 2HB GLN 6 2.349 -4.984 7.276 40 2HB GLN 6 1HB GLN 6 0.975 -4.266 8.112 41 1HG GLN 6 2HG GLN 6 -0.380 -6.103 7.751 42 2HG GLN 6 1HG GLN 6 0.597 -6.683 6.404 43 1HE2 GLN 6 1HE2 GLN 6 0.652 -8.739 7.388 44 2HE2 GLN 6 2HE2 GLN 6 1.708 -9.064 8.717 45 H THR 7 H THR 7 -1.661 -4.391 5.883 46 HA THR 7 HA THR 7 -2.151 -1.564 6.574 47 HB THR 7 HB THR 7 -4.535 -2.150 5.771 48 HG1 THR 7 1HG THR 7 -4.778 -4.091 5.086 49 1HG2 THR 7 1HG2 THR 7 -4.099 -1.205 3.785 50 2HG2 THR 7 2HG2 THR 7 -2.792 -2.330 3.411 51 3HG2 THR 7 3HG2 THR 7 -2.499 -0.960 4.484 52 H LEU 8 H LEU 8 -4.083 -1.146 7.902 53 HA LEU 8 HA LEU 8 -4.583 -3.286 9.844 54 1HB LEU 8 2HB LEU 8 -4.731 -0.963 11.329 55 2HB LEU 8 1HB LEU 8 -3.450 -2.153 11.386 56 HG LEU 8 HG LEU 8 -2.573 0.115 11.202 57 1HD1 LEU 8 1HD1 LEU 8 -1.942 -0.961 8.531 58 2HD1 LEU 8 2HD1 LEU 8 -1.656 -2.023 9.909 59 3HD1 LEU 8 3HD1 LEU 8 -0.874 -0.444 9.834 60 1HD2 LEU 8 1HD2 LEU 8 -4.688 0.701 9.682 61 2HD2 LEU 8 2HD2 LEU 8 -3.483 0.443 8.423 62 3HD2 LEU 8 3HD2 LEU 8 -3.200 1.649 9.675 63 H TYR 9 H TYR 9 -5.707 -0.317 8.325 64 HA TYR 9 HA TYR 9 -8.433 -0.970 9.244 65 1HB TYR 9 2HB TYR 9 -6.996 1.636 9.024 66 2HB TYR 9 1HB TYR 9 -8.709 1.622 8.618 67 HD1 TYR 9 1HD TYR 9 -6.356 1.888 11.245 68 HD2 TYR 9 2HD TYR 9 -10.292 0.528 10.378 69 HE1 TYR 9 1HE TYR 9 -6.924 2.031 13.633 70 HE2 TYR 9 2HE TYR 9 -10.873 0.667 12.763 71 HH TYR 9 HH TYR 9 -9.375 0.551 15.032 72 HA PRO 10 HA PRO 10 -9.369 -1.413 4.900 73 1HB PRO 10 2HB PRO 10 -12.075 -1.412 5.074 74 2HB PRO 10 1HB PRO 10 -11.096 -2.802 5.556 75 1HG PRO 10 2HG PRO 10 -12.343 -0.680 7.257 76 2HG PRO 10 1HG PRO 10 -12.249 -2.429 7.536 77 1HD PRO 10 2HD PRO 10 -10.589 -0.640 8.741 78 2HD PRO 10 1HD PRO 10 -10.110 -2.308 8.367 79 H PHE 11 H PHE 11 -8.473 0.989 5.329 80 HA PHE 11 HA PHE 11 -10.362 3.088 5.131 81 1HB PHE 11 2HB PHE 11 -7.407 2.874 5.097 82 2HB PHE 11 1HB PHE 11 -8.134 4.327 4.413 83 HD1 PHE 11 1HD PHE 11 -9.939 5.490 5.886 84 HD2 PHE 11 2HD PHE 11 -7.031 2.763 7.370 85 HE1 PHE 11 1HE PHE 11 -10.252 6.397 8.151 86 HE2 PHE 11 2HE PHE 11 -7.335 3.667 9.638 87 HZ PHE 11 HZ PHE 11 -8.948 5.485 10.032 88 H SER 12 H SER 12 -10.581 4.593 3.468 89 HA SER 12 HA SER 12 -10.746 3.332 0.850 90 1HB SER 12 2HB SER 12 -11.968 5.688 2.220 91 2HB SER 12 1HB SER 12 -11.999 5.610 0.454 92 HG SER 12 HG SER 12 -12.941 3.540 2.152 93 H SER 13 H SER 13 -10.015 4.324 -1.052 94 HA SER 13 HA SER 13 -8.223 6.615 -0.842 95 1HB SER 13 2HB SER 13 -7.388 3.837 -1.616 96 2HB SER 13 1HB SER 13 -6.591 5.227 -2.356 97 HG SER 13 HG SER 13 -6.185 5.966 -0.171 98 H VAL 14 H VAL 14 -9.433 7.883 -2.175 99 HA VAL 14 HA VAL 14 -9.801 6.904 -4.928 100 HB VAL 14 HB VAL 14 -11.862 8.320 -5.049 101 1HG1 VAL 14 1HG1 VAL 14 -12.225 6.011 -4.895 102 2HG1 VAL 14 2HG1 VAL 14 -13.246 6.704 -3.635 103 3HG1 VAL 14 3HG1 VAL 14 -11.708 5.953 -3.211 104 1HG2 VAL 14 1HG2 VAL 14 -11.735 9.843 -3.304 105 2HG2 VAL 14 2HG2 VAL 14 -11.256 8.616 -2.132 106 3HG2 VAL 14 3HG2 VAL 14 -12.920 8.680 -2.712 107 H THR 15 H THR 15 -8.257 7.961 -6.008 108 HA THR 15 HA THR 15 -8.475 10.815 -6.298 109 HB THR 15 HB THR 15 -5.733 9.878 -5.556 110 HG1 THR 15 1HG THR 15 -7.754 10.628 -3.715 111 1HG2 THR 15 1HG2 THR 15 -6.003 12.298 -4.449 112 2HG2 THR 15 2HG2 THR 15 -7.143 12.452 -5.786 113 3HG2 THR 15 3HG2 THR 15 -5.459 12.040 -6.107 114 H GLU 16 H GLU 16 -6.690 11.593 -7.884 115 HA GLU 16 HA GLU 16 -6.925 10.058 -10.235 116 1HB GLU 16 2HB GLU 16 -6.069 12.653 -9.547 117 2HB GLU 16 1HB GLU 16 -4.726 11.908 -10.401 118 1HG GLU 16 2HG GLU 16 -6.771 11.203 -12.008 119 2HG GLU 16 1HG GLU 16 -7.370 12.737 -11.378 120 H GLU 17 H GLU 17 -4.421 10.272 -7.794 121 HA GLU 17 HA GLU 17 -2.840 8.297 -9.310 122 1HB GLU 17 2HB GLU 17 -1.779 10.030 -7.079 123 2HB GLU 17 1HB GLU 17 -0.865 9.073 -8.235 124 1HG GLU 17 2HG GLU 17 -0.595 10.990 -9.324 125 2HG GLU 17 1HG GLU 17 -2.250 10.738 -9.880 126 H GLU 18 H GLU 18 -5.115 8.174 -7.146 127 HA GLU 18 HA GLU 18 -3.731 6.447 -5.228 128 1HB GLU 18 2HB GLU 18 -6.309 7.934 -5.204 129 2HB GLU 18 1HB GLU 18 -6.133 6.520 -4.182 130 1HG GLU 18 2HG GLU 18 -3.859 7.843 -3.579 131 2HG GLU 18 1HG GLU 18 -4.938 9.192 -3.930 132 H LEU 19 H LEU 19 -5.605 4.726 -4.400 133 HA LEU 19 HA LEU 19 -6.824 3.452 -6.714 134 1HB LEU 19 2HB LEU 19 -4.345 2.593 -5.616 135 2HB LEU 19 1HB LEU 19 -5.552 1.376 -5.252 136 HG LEU 19 HG LEU 19 -6.164 1.501 -7.729 137 1HD1 LEU 19 1HD1 LEU 19 -5.060 2.848 -9.082 138 2HD1 LEU 19 2HD1 LEU 19 -3.511 2.204 -8.540 139 3HD1 LEU 19 3HD1 LEU 19 -4.264 3.538 -7.673 140 1HD2 LEU 19 1HD2 LEU 19 -4.828 -0.288 -6.461 141 2HD2 LEU 19 2HD2 LEU 19 -3.415 0.428 -7.227 142 3HD2 LEU 19 3HD2 LEU 19 -4.704 -0.250 -8.216 143 H ASN 20 H ASN 20 -8.210 1.668 -6.164 144 HA ASN 20 HA ASN 20 -9.099 1.545 -3.381 145 1HB ASN 20 2HB ASN 20 -11.503 1.435 -4.465 146 2HB ASN 20 1HB ASN 20 -10.760 2.990 -4.105 147 1HD2 ASN 20 1HD2 ASN 20 -10.921 0.593 -6.717 148 2HD2 ASN 20 2HD2 ASN 20 -11.028 1.745 -7.999 149 H PHE 21 H PHE 21 -8.512 -0.515 -2.997 150 HA PHE 21 HA PHE 21 -9.645 -2.585 -4.749 151 1HB PHE 21 2HB PHE 21 -7.510 -3.925 -4.043 152 2HB PHE 21 1HB PHE 21 -7.422 -2.759 -5.355 153 HD1 PHE 21 1HD PHE 21 -6.552 -3.377 -1.839 154 HD2 PHE 21 2HD PHE 21 -6.127 -0.779 -5.180 155 HE1 PHE 21 1HE PHE 21 -4.731 -2.194 -0.680 156 HE2 PHE 21 2HE PHE 21 -4.302 0.406 -4.033 157 HZ PHE 21 HZ PHE 21 -3.603 -0.301 -1.778 158 H GLU 22 H GLU 22 -9.799 -4.731 -3.682 159 HA GLU 22 HA GLU 22 -11.275 -4.526 -1.306 160 1HB GLU 22 2HB GLU 22 -10.842 -6.448 -3.275 161 2HB GLU 22 1HB GLU 22 -10.255 -7.203 -1.801 162 1HG GLU 22 2HG GLU 22 -12.615 -6.143 -0.965 163 2HG GLU 22 1HG GLU 22 -12.982 -6.560 -2.638 164 H LYS 23 H LYS 23 -10.372 -6.860 0.116 165 HA LYS 23 HA LYS 23 -8.837 -5.740 2.101 166 1HB LYS 23 2HB LYS 23 -9.399 -7.642 3.099 167 2HB LYS 23 1HB LYS 23 -10.036 -8.219 1.574 168 1HG LYS 23 2HG LYS 23 -8.595 -9.903 2.282 169 2HG LYS 23 1HG LYS 23 -7.676 -9.023 1.064 170 1HD LYS 23 2HD LYS 23 -6.437 -9.659 3.174 171 2HD LYS 23 1HD LYS 23 -6.323 -7.972 2.704 172 1HE LYS 23 2HE LYS 23 -8.542 -8.676 4.524 173 2HE LYS 23 1HE LYS 23 -6.920 -8.814 5.196 174 1HZ LYS 23 1HZ LYS 23 -6.632 -6.464 4.189 175 2HZ LYS 23 2HZ LYS 23 -7.456 -6.642 5.654 176 3HZ LYS 23 3HZ LYS 23 -8.324 -6.422 4.219 177 H GLY 24 H GLY 24 -6.764 -5.413 2.504 178 1HA GLY 24 2HA GLY 24 -4.727 -6.782 0.921 179 2HA GLY 24 1HA GLY 24 -4.786 -5.029 0.810 180 H GLU 25 H GLU 25 -5.029 -7.380 3.483 181 HA GLU 25 HA GLU 25 -3.784 -5.781 5.384 182 1HB GLU 25 2HB GLU 25 -5.084 -8.154 5.466 183 2HB GLU 25 1HB GLU 25 -3.422 -8.693 5.661 184 1HG GLU 25 2HG GLU 25 -3.250 -7.848 7.733 185 2HG GLU 25 1HG GLU 25 -4.210 -6.421 7.347 186 H THR 26 H THR 26 -2.552 -7.605 2.811 187 HA THR 26 HA THR 26 0.165 -7.085 3.760 188 HB THR 26 HB THR 26 0.922 -9.053 2.499 189 HG1 THR 26 1HG THR 26 -0.720 -10.579 1.901 190 1HG2 THR 26 1HG2 THR 26 0.132 -9.104 4.988 191 2HG2 THR 26 2HG2 THR 26 0.529 -10.597 4.136 192 3HG2 THR 26 3HG2 THR 26 -1.156 -10.118 4.337 193 H MET 27 H MET 27 1.117 -5.650 2.586 194 HA MET 27 HA MET 27 0.782 -5.654 -0.316 195 1HB MET 27 2HB MET 27 0.503 -3.215 1.449 196 2HB MET 27 1HB MET 27 0.629 -3.171 -0.304 197 1HG MET 27 2HG MET 27 -1.425 -4.750 -0.238 198 2HG MET 27 1HG MET 27 -1.615 -4.140 1.404 199 1HE MET 27 1HE MET 27 -2.213 -1.982 -2.545 200 2HE MET 27 2HE MET 27 -3.127 -3.422 -2.099 201 3HE MET 27 3HE MET 27 -1.372 -3.502 -2.246 202 H GLU 28 H GLU 28 2.493 -4.334 -1.396 203 HA GLU 28 HA GLU 28 4.945 -4.180 0.234 204 1HB GLU 28 2HB GLU 28 4.900 -5.019 -2.654 205 2HB GLU 28 1HB GLU 28 6.242 -5.115 -1.528 206 1HG GLU 28 2HG GLU 28 5.671 -7.226 -1.176 207 2HG GLU 28 1HG GLU 28 4.238 -6.622 -0.344 208 H VAL 29 H VAL 29 5.501 -2.113 0.380 209 HA VAL 29 HA VAL 29 4.748 -0.243 -1.696 210 HB VAL 29 HB VAL 29 5.906 0.039 1.046 211 1HG1 VAL 29 1HG1 VAL 29 5.839 2.566 0.536 212 2HG1 VAL 29 2HG1 VAL 29 6.013 2.065 -1.145 213 3HG1 VAL 29 3HG1 VAL 29 7.249 1.632 0.035 214 1HG2 VAL 29 1HG2 VAL 29 3.353 0.153 -0.075 215 2HG2 VAL 29 2HG2 VAL 29 3.772 1.813 0.345 216 3HG2 VAL 29 3HG2 VAL 29 3.825 0.552 1.577 217 H ILE 30 H ILE 30 5.936 -0.013 -3.407 218 HA ILE 30 HA ILE 30 8.713 -0.761 -3.508 219 HB ILE 30 HB ILE 30 8.470 0.289 -5.885 220 1HG1 ILE 30 2HG1 ILE 30 6.103 1.172 -4.930 221 2HG1 ILE 30 1HG1 ILE 30 6.409 0.900 -6.631 222 1HG2 ILE 30 1HG2 ILE 30 7.482 -1.806 -6.709 223 2HG2 ILE 30 2HG2 ILE 30 7.013 -2.212 -5.058 224 3HG2 ILE 30 3HG2 ILE 30 8.719 -2.074 -5.481 225 1HD1 ILE 30 1HD1 ILE 30 4.252 -0.009 -5.735 226 2HD1 ILE 30 2HD1 ILE 30 5.212 -1.186 -4.842 227 3HD1 ILE 30 3HD1 ILE 30 5.266 -1.160 -6.605 228 H GLU 31 H GLU 31 6.881 2.259 -3.569 229 HA GLU 31 HA GLU 31 9.372 3.785 -3.740 230 1HB GLU 31 2HB GLU 31 7.631 4.478 -5.268 231 2HB GLU 31 1HB GLU 31 6.480 4.636 -3.947 232 1HG GLU 31 2HG GLU 31 7.405 6.786 -4.806 233 2HG GLU 31 1HG GLU 31 7.608 6.528 -3.074 234 H LYS 32 H LYS 32 10.333 4.419 -1.936 235 HA LYS 32 HA LYS 32 8.843 4.505 0.554 236 1HB LYS 32 2HB LYS 32 11.791 4.991 0.154 237 2HB LYS 32 1HB LYS 32 10.964 4.542 1.633 238 1HG LYS 32 2HG LYS 32 11.199 2.791 -0.799 239 2HG LYS 32 1HG LYS 32 12.221 2.682 0.637 240 1HD LYS 32 2HD LYS 32 10.445 1.964 1.986 241 2HD LYS 32 1HD LYS 32 9.231 2.502 0.824 242 1HE LYS 32 2HE LYS 32 9.460 0.061 0.847 243 2HE LYS 32 1HE LYS 32 9.894 0.750 -0.718 244 1HZ LYS 32 1HZ LYS 32 11.686 -0.561 -0.464 245 2HZ LYS 32 2HZ LYS 32 11.548 -0.636 1.221 246 3HZ LYS 32 3HZ LYS 32 12.268 0.708 0.490 247 HA PRO 33 HA PRO 33 8.615 8.940 0.429 248 1HB PRO 33 2HB PRO 33 8.041 9.045 3.249 249 2HB PRO 33 1HB PRO 33 6.918 9.191 1.897 250 1HG PRO 33 2HG PRO 33 6.952 7.079 3.651 251 2HG PRO 33 1HG PRO 33 6.319 6.995 1.999 252 1HD PRO 33 2HD PRO 33 8.971 6.098 3.061 253 2HD PRO 33 1HD PRO 33 7.909 5.319 1.870 254 H GLU 34 H GLU 34 11.123 7.330 1.724 255 HA GLU 34 HA GLU 34 12.269 9.094 3.571 256 1HB GLU 34 2HB GLU 34 12.996 6.692 2.244 257 2HB GLU 34 1HB GLU 34 14.310 7.834 2.011 258 1HG GLU 34 2HG GLU 34 13.422 7.914 4.733 259 2HG GLU 34 1HG GLU 34 13.772 6.254 4.258 260 H ASN 35 H ASN 35 12.809 8.786 0.064 261 HA ASN 35 HA ASN 35 14.178 11.378 0.081 262 1HB ASN 35 2HB ASN 35 13.965 9.864 -2.455 263 2HB ASN 35 1HB ASN 35 15.343 10.709 -1.760 264 1HD2 ASN 35 1HD2 ASN 35 16.475 9.643 0.004 265 2HD2 ASN 35 2HD2 ASN 35 16.545 7.917 0.036 266 H ASP 36 H ASP 36 11.376 9.717 -1.203 267 HA ASP 36 HA ASP 36 10.551 11.838 -2.932 268 1HB ASP 36 2HB ASP 36 9.484 9.218 -2.075 269 2HB ASP 36 1HB ASP 36 8.273 10.417 -2.523 270 HA PRO 37 HA PRO 37 8.260 14.750 -0.577 271 1HB PRO 37 2HB PRO 37 5.747 13.522 -1.650 272 2HB PRO 37 1HB PRO 37 6.199 15.224 -1.527 273 1HG PRO 37 2HG PRO 37 6.380 13.942 -3.852 274 2HG PRO 37 1HG PRO 37 7.608 15.126 -3.362 275 1HD PRO 37 2HD PRO 37 7.776 12.162 -3.476 276 2HD PRO 37 1HD PRO 37 9.057 13.375 -3.658 277 H GLU 38 H GLU 38 5.807 12.165 -0.545 278 HA GLU 38 HA GLU 38 6.452 11.159 2.008 279 1HB GLU 38 2HB GLU 38 5.719 13.548 2.515 280 2HB GLU 38 1HB GLU 38 4.103 13.022 2.069 281 1HG GLU 38 2HG GLU 38 5.400 11.262 3.995 282 2HG GLU 38 1HG GLU 38 5.192 12.914 4.578 283 H TRP 39 H TRP 39 5.151 10.565 -0.754 284 HA TRP 39 HA TRP 39 2.963 8.920 0.336 285 1HB TRP 39 2HB TRP 39 3.017 9.866 -2.519 286 2HB TRP 39 1HB TRP 39 1.653 9.254 -1.591 287 HD1 TRP 39 HD TRP 39 2.120 11.254 0.950 288 HE1 TRP 39 1HE TRP 39 1.423 13.717 0.682 289 HE3 TRP 39 3HE TRP 39 2.105 11.543 -4.155 290 HZ2 TRP 39 2HZ TRP 39 0.931 15.541 -1.416 291 HZ3 TRP 39 3HZ TRP 39 1.509 13.683 -5.213 292 HH2 TRP 39 HH TRP 39 0.935 15.640 -3.871 293 H TRP 40 H TRP 40 2.779 6.803 -0.428 294 HA TRP 40 HA TRP 40 4.959 5.904 -2.179 295 1HB TRP 40 2HB TRP 40 5.062 3.794 -0.860 296 2HB TRP 40 1HB TRP 40 5.593 5.216 0.022 297 HD1 TRP 40 HD TRP 40 1.867 4.417 -0.286 298 HE1 TRP 40 1HE TRP 40 0.953 3.787 2.042 299 HE3 TRP 40 3HE TRP 40 6.266 4.273 2.267 300 HZ2 TRP 40 2HZ TRP 40 2.003 3.276 4.620 301 HZ3 TRP 40 3HZ TRP 40 6.241 3.706 4.657 302 HH2 TRP 40 HH TRP 40 4.146 3.221 5.812 303 H LYS 41 H LYS 41 4.508 3.601 -3.003 304 HA LYS 41 HA LYS 41 1.689 3.107 -3.484 305 1HB LYS 41 2HB LYS 41 2.178 2.819 -5.946 306 2HB LYS 41 1HB LYS 41 2.087 4.463 -5.348 307 1HG LYS 41 2HG LYS 41 3.935 4.558 -6.671 308 2HG LYS 41 1HG LYS 41 4.664 4.213 -5.109 309 1HD LYS 41 2HD LYS 41 5.712 2.607 -6.314 310 2HD LYS 41 1HD LYS 41 4.233 1.734 -5.945 311 1HE LYS 41 2HE LYS 41 5.280 2.605 -8.501 312 2HE LYS 41 1HE LYS 41 4.075 1.371 -8.128 313 1HZ LYS 41 1HZ LYS 41 2.944 2.957 -9.378 314 2HZ LYS 41 2HZ LYS 41 3.666 4.265 -8.587 315 3HZ LYS 41 3HZ LYS 41 2.504 3.330 -7.788 316 H CYS 42 H CYS 42 1.163 1.001 -3.732 317 HA CYS 42 HA CYS 42 3.376 -0.904 -4.024 318 1HB CYS 42 2HB CYS 42 2.177 -2.378 -2.358 319 2HB CYS 42 1HB CYS 42 2.924 -0.936 -1.680 320 HG CYS 42 HG CYS 42 -0.144 -1.131 -2.166 321 H LYS 43 H LYS 43 2.797 -2.925 -4.939 322 HA LYS 43 HA LYS 43 0.473 -2.766 -6.682 323 1HB LYS 43 2HB LYS 43 2.736 -4.765 -6.597 324 2HB LYS 43 1HB LYS 43 1.466 -4.723 -7.811 325 1HG LYS 43 2HG LYS 43 2.359 -2.936 -8.888 326 2HG LYS 43 1HG LYS 43 3.051 -2.253 -7.416 327 1HD LYS 43 2HD LYS 43 5.003 -3.323 -7.703 328 2HD LYS 43 1HD LYS 43 4.210 -4.830 -8.170 329 1HE LYS 43 2HE LYS 43 5.567 -3.949 -9.994 330 2HE LYS 43 1HE LYS 43 3.856 -3.954 -10.421 331 1HZ LYS 43 1HZ LYS 43 3.757 -1.706 -10.440 332 2HZ LYS 43 2HZ LYS 43 5.397 -1.865 -10.820 333 3HZ LYS 43 3HZ LYS 43 4.928 -1.512 -9.234 334 H ASN 44 H ASN 44 -1.208 -4.127 -6.676 335 HA ASN 44 HA ASN 44 -1.424 -6.000 -4.421 336 1HB ASN 44 2HB ASN 44 -2.933 -3.830 -4.685 337 2HB ASN 44 1HB ASN 44 -3.827 -4.857 -5.793 338 1HD2 ASN 44 1HD2 ASN 44 -2.209 -5.423 -2.685 339 2HD2 ASN 44 2HD2 ASN 44 -3.586 -6.110 -1.901 340 H ALA 45 H ALA 45 -3.264 -7.633 -4.906 341 HA ALA 45 HA ALA 45 -2.431 -9.097 -7.205 342 1HB ALA 45 1HB ALA 45 -3.024 -10.437 -5.383 343 2HB ALA 45 2HB ALA 45 -4.384 -10.610 -6.492 344 3HB ALA 45 3HB ALA 45 -4.516 -9.542 -5.095 345 H ARG 46 H ARG 46 -4.348 -6.473 -6.912 346 HA ARG 46 HA ARG 46 -6.426 -7.183 -8.773 347 1HB ARG 46 2HB ARG 46 -7.283 -5.676 -7.299 348 2HB ARG 46 1HB ARG 46 -5.736 -4.886 -7.042 349 1HG ARG 46 2HG ARG 46 -6.056 -3.412 -8.684 350 2HG ARG 46 1HG ARG 46 -7.008 -4.511 -9.679 351 1HD ARG 46 2HD ARG 46 -8.050 -3.378 -7.102 352 2HD ARG 46 1HD ARG 46 -8.219 -2.519 -8.631 353 HE ARG 46 HE ARG 46 -9.161 -5.197 -8.827 354 1HH1 ARG 46 1HH1 ARG 46 -10.016 -2.027 -7.646 355 2HH1 ARG 46 2HH1 ARG 46 -11.720 -2.302 -7.768 356 1HH2 ARG 46 1HH2 ARG 46 -11.406 -5.565 -8.989 357 2HH2 ARG 46 2HH2 ARG 46 -12.511 -4.312 -8.531 358 H GLY 47 H GLY 47 -3.196 -6.371 -9.041 359 1HA GLY 47 2HA GLY 47 -1.978 -6.175 -11.007 360 2HA GLY 47 1HA GLY 47 -3.478 -5.952 -11.887 361 H GLN 48 H GLN 48 -3.952 -3.770 -9.641 362 HA GLN 48 HA GLN 48 -2.417 -1.690 -11.042 363 1HB GLN 48 2HB GLN 48 -5.269 -1.809 -10.205 364 2HB GLN 48 1HB GLN 48 -4.455 -0.263 -10.073 365 1HG GLN 48 2HG GLN 48 -5.690 -0.609 -12.202 366 2HG GLN 48 1HG GLN 48 -3.983 -0.209 -12.396 367 1HE2 GLN 48 1HE2 GLN 48 -2.679 -1.594 -13.453 368 2HE2 GLN 48 2HE2 GLN 48 -3.184 -3.113 -14.103 369 H VAL 49 H VAL 49 -1.332 -0.215 -9.863 370 HA VAL 49 HA VAL 49 -1.634 -0.363 -6.942 371 HB VAL 49 HB VAL 49 0.457 -1.238 -7.009 372 1HG1 VAL 49 1HG1 VAL 49 0.920 0.239 -9.569 373 2HG1 VAL 49 2HG1 VAL 49 0.711 -1.498 -9.336 374 3HG1 VAL 49 3HG1 VAL 49 2.162 -0.695 -8.736 375 1HG2 VAL 49 1HG2 VAL 49 1.300 1.612 -7.433 376 2HG2 VAL 49 2HG2 VAL 49 2.082 0.379 -6.443 377 3HG2 VAL 49 3HG2 VAL 49 0.528 1.051 -5.950 378 H GLY 50 H GLY 50 -2.117 1.464 -6.010 379 1HA GLY 50 2HA GLY 50 -1.767 3.947 -7.558 380 2HA GLY 50 1HA GLY 50 -3.026 3.679 -6.364 381 H LEU 51 H LEU 51 -2.568 5.305 -5.010 382 HA LEU 51 HA LEU 51 0.059 5.199 -3.685 383 1HB LEU 51 2HB LEU 51 -1.499 7.439 -4.740 384 2HB LEU 51 1HB LEU 51 -0.979 7.680 -3.086 385 HG LEU 51 HG LEU 51 1.283 7.710 -3.655 386 1HD1 LEU 51 1HD1 LEU 51 2.210 6.292 -5.072 387 2HD1 LEU 51 2HD1 LEU 51 1.374 7.044 -6.428 388 3HD1 LEU 51 3HD1 LEU 51 0.609 5.731 -5.545 389 1HD2 LEU 51 1HD2 LEU 51 1.452 9.463 -5.136 390 2HD2 LEU 51 2HD2 LEU 51 -0.247 9.547 -4.667 391 3HD2 LEU 51 3HD2 LEU 51 0.207 8.817 -6.207 392 H VAL 52 H VAL 52 -0.178 4.201 -1.824 393 HA VAL 52 HA VAL 52 -2.705 4.329 -0.397 394 HB VAL 52 HB VAL 52 -1.908 2.127 -0.479 395 1HG1 VAL 52 1HG1 VAL 52 0.222 1.584 -0.746 396 2HG1 VAL 52 2HG1 VAL 52 0.658 2.291 0.806 397 3HG1 VAL 52 3HG1 VAL 52 0.624 3.289 -0.641 398 1HG2 VAL 52 1HG2 VAL 52 -2.316 3.317 1.941 399 2HG2 VAL 52 2HG2 VAL 52 -0.747 2.553 2.178 400 3HG2 VAL 52 3HG2 VAL 52 -2.134 1.583 1.688 401 HA PRO 53 HA PRO 53 -1.234 7.420 2.468 402 1HB PRO 53 2HB PRO 53 -3.301 7.371 4.144 403 2HB PRO 53 1HB PRO 53 -3.528 7.934 2.477 404 1HG PRO 53 2HG PRO 53 -3.931 5.157 3.563 405 2HG PRO 53 1HG PRO 53 -5.140 6.179 2.742 406 1HD PRO 53 2HD PRO 53 -3.784 4.366 1.372 407 2HD PRO 53 1HD PRO 53 -4.021 5.987 0.679 408 H LYS 54 H LYS 54 0.502 6.646 3.584 409 HA LYS 54 HA LYS 54 0.802 4.361 5.053 410 1HB LYS 54 2HB LYS 54 2.591 5.522 6.221 411 2HB LYS 54 1HB LYS 54 2.590 5.903 4.497 412 1HG LYS 54 2HG LYS 54 2.520 8.035 5.015 413 2HG LYS 54 1HG LYS 54 0.904 7.785 5.685 414 1HD LYS 54 2HD LYS 54 1.971 7.160 7.844 415 2HD LYS 54 1HD LYS 54 3.537 7.610 7.162 416 1HE LYS 54 2HE LYS 54 3.173 9.747 7.651 417 2HE LYS 54 1HE LYS 54 1.674 9.734 6.725 418 1HZ LYS 54 1HZ LYS 54 1.727 10.216 9.307 419 2HZ LYS 54 2HZ LYS 54 1.610 8.530 9.383 420 3HZ LYS 54 3HZ LYS 54 0.425 9.423 8.572 421 H ASN 55 H ASN 55 -0.918 7.217 5.896 422 HA ASN 55 HA ASN 55 -0.956 6.920 8.712 423 1HB ASN 55 2HB ASN 55 -1.501 9.024 7.480 424 2HB ASN 55 1HB ASN 55 -3.005 8.271 6.956 425 1HD2 ASN 55 1HD2 ASN 55 -1.521 10.123 9.311 426 2HD2 ASN 55 2HD2 ASN 55 -2.760 10.057 10.514 427 H TYR 56 H TYR 56 -2.391 5.158 6.257 428 HA TYR 56 HA TYR 56 -4.449 4.102 8.072 429 1HB TYR 56 2HB TYR 56 -4.372 4.349 5.070 430 2HB TYR 56 1HB TYR 56 -5.523 3.315 5.900 431 HD1 TYR 56 1HD TYR 56 -6.377 5.492 4.095 432 HD2 TYR 56 2HD TYR 56 -5.537 5.550 8.263 433 HE1 TYR 56 1HE TYR 56 -7.941 7.359 4.386 434 HE2 TYR 56 2HE TYR 56 -7.095 7.413 8.567 435 HH TYR 56 HH TYR 56 -9.382 8.223 6.719 436 H VAL 57 H VAL 57 -1.468 3.431 7.370 437 HA VAL 57 HA VAL 57 -1.919 0.556 7.437 438 HB VAL 57 HB VAL 57 -0.937 -0.031 5.481 439 1HG1 VAL 57 1HG1 VAL 57 -1.547 2.816 4.708 440 2HG1 VAL 57 2HG1 VAL 57 -2.771 1.562 4.909 441 3HG1 VAL 57 3HG1 VAL 57 -1.537 1.396 3.664 442 1HG2 VAL 57 1HG2 VAL 57 1.265 0.634 5.768 443 2HG2 VAL 57 2HG2 VAL 57 0.838 2.340 5.898 444 3HG2 VAL 57 3HG2 VAL 57 0.776 1.534 4.331 445 H VAL 58 H VAL 58 0.274 -0.594 7.478 446 HA VAL 58 HA VAL 58 2.319 0.880 8.957 447 HB VAL 58 HB VAL 58 0.889 -0.173 10.676 448 1HG1 VAL 58 1HG1 VAL 58 1.733 -2.897 9.855 449 2HG1 VAL 58 2HG1 VAL 58 0.408 -2.145 8.965 450 3HG1 VAL 58 3HG1 VAL 58 0.285 -2.368 10.710 451 1HG2 VAL 58 1HG2 VAL 58 2.629 -0.954 11.974 452 2HG2 VAL 58 2HG2 VAL 58 3.491 -0.033 10.741 453 3HG2 VAL 58 3HG2 VAL 58 3.400 -1.791 10.626 454 H VAL 59 H VAL 59 4.170 0.526 7.875 455 HA VAL 59 HA VAL 59 4.386 -1.440 5.874 456 HB VAL 59 HB VAL 59 6.834 -0.208 7.088 457 1HG1 VAL 59 1HG1 VAL 59 5.964 -1.058 4.335 458 2HG1 VAL 59 2HG1 VAL 59 7.283 -1.703 5.311 459 3HG1 VAL 59 3HG1 VAL 59 7.408 -0.087 4.620 460 1HG2 VAL 59 1HG2 VAL 59 5.646 1.757 6.963 461 2HG2 VAL 59 2HG2 VAL 59 4.618 1.179 5.653 462 3HG2 VAL 59 3HG2 VAL 59 6.280 1.664 5.321 463 H LEU 60 H LEU 60 5.552 -3.329 5.748 464 HA LEU 60 HA LEU 60 6.622 -4.452 8.213 465 1HB LEU 60 2HB LEU 60 4.674 -5.560 8.444 466 2HB LEU 60 1HB LEU 60 4.212 -5.285 6.779 467 HG LEU 60 HG LEU 60 6.333 -7.227 6.887 468 1HD1 LEU 60 1HD1 LEU 60 4.881 -9.011 7.970 469 2HD1 LEU 60 2HD1 LEU 60 3.986 -7.678 8.697 470 3HD1 LEU 60 3HD1 LEU 60 5.702 -7.881 9.047 471 1HD2 LEU 60 1HD2 LEU 60 3.467 -7.693 6.141 472 2HD2 LEU 60 2HD2 LEU 60 4.916 -8.449 5.480 473 3HD2 LEU 60 3HD2 LEU 60 4.557 -6.761 5.116 474 H SER 61 H SER 61 8.699 -4.547 7.547 475 HA SER 61 HA SER 61 9.270 -6.073 5.097 476 1HB SER 61 2HB SER 61 11.452 -4.783 5.061 477 2HB SER 61 1HB SER 61 10.007 -3.826 4.734 478 HG SER 61 HG SER 61 11.626 -3.880 7.030 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 13.896 -11.271 1.852 2 2H GLY 1 2HT GLY 1 13.986 -9.966 2.925 3 3H GLY 1 3HT GLY 1 15.247 -11.091 2.854 4 1HA GLY 1 1HA GLY 1 16.041 -9.241 1.685 5 2HA GLY 1 2HA GLY 1 15.580 -10.425 0.471 6 H SER 2 H SER 2 12.679 -9.849 1.107 7 HA SER 2 HA SER 2 12.486 -7.459 -0.585 8 1HB SER 2 2HB SER 2 11.092 -9.981 -0.535 9 2HB SER 2 1HB SER 2 9.934 -8.659 -0.332 10 HG SER 2 HG SER 2 10.188 -8.922 -2.502 11 H HIS 3 H HIS 3 11.626 -5.620 0.156 12 HA HIS 3 HA HIS 3 10.772 -5.497 2.917 13 1HB HIS 3 2HB HIS 3 10.267 -3.006 2.078 14 2HB HIS 3 1HB HIS 3 11.880 -3.540 2.527 15 HD1 HIS 3 1HD HIS 3 9.868 -3.692 -0.711 16 HD2 HIS 3 2HD HIS 3 13.630 -2.618 0.692 17 HE1 HIS 3 1HE HIS 3 11.149 -2.931 -2.738 18 HE2 HIS 3 2HE HIS 3 13.390 -2.196 -1.850 19 H VAL 4 H VAL 4 8.726 -5.532 3.620 20 HA VAL 4 HA VAL 4 6.610 -5.182 1.604 21 HB VAL 4 HB VAL 4 5.825 -7.020 3.701 22 1HG1 VAL 4 1HG1 VAL 4 6.055 -7.855 0.867 23 2HG1 VAL 4 2HG1 VAL 4 5.016 -6.470 1.207 24 3HG1 VAL 4 3HG1 VAL 4 4.704 -8.020 1.990 25 1HG2 VAL 4 1HG2 VAL 4 7.193 -8.916 2.997 26 2HG2 VAL 4 2HG2 VAL 4 8.182 -7.635 3.700 27 3HG2 VAL 4 3HG2 VAL 4 8.131 -7.851 1.950 28 H VAL 5 H VAL 5 4.439 -4.872 2.642 29 HA VAL 5 HA VAL 5 4.652 -3.408 5.158 30 HB VAL 5 HB VAL 5 4.527 -1.499 4.036 31 1HG1 VAL 5 1HG1 VAL 5 4.789 -1.461 1.869 32 2HG1 VAL 5 2HG1 VAL 5 3.121 -1.967 1.606 33 3HG1 VAL 5 3HG1 VAL 5 4.387 -3.170 1.812 34 1HG2 VAL 5 1HG2 VAL 5 2.183 -0.860 3.209 35 2HG2 VAL 5 2HG2 VAL 5 2.414 -1.213 4.921 36 3HG2 VAL 5 3HG2 VAL 5 1.693 -2.421 3.857 37 H GLN 6 H GLN 6 2.591 -3.022 6.214 38 HA GLN 6 HA GLN 6 0.642 -5.142 5.579 39 1HB GLN 6 2HB GLN 6 2.284 -5.189 7.737 40 2HB GLN 6 1HB GLN 6 0.912 -4.314 8.402 41 1HG GLN 6 2HG GLN 6 -0.533 -6.099 8.136 42 2HG GLN 6 1HG GLN 6 0.489 -6.873 6.926 43 1HE2 GLN 6 1HE2 GLN 6 0.319 -8.810 8.146 44 2HE2 GLN 6 2HE2 GLN 6 1.276 -9.049 9.564 45 H THR 7 H THR 7 -1.516 -4.638 5.734 46 HA THR 7 HA THR 7 -2.100 -1.807 6.313 47 HB THR 7 HB THR 7 -4.301 -2.647 4.989 48 HG1 THR 7 1HG THR 7 -3.828 -4.135 3.529 49 1HG2 THR 7 1HG2 THR 7 -2.405 -0.798 4.509 50 2HG2 THR 7 2HG2 THR 7 -3.713 -1.188 3.391 51 3HG2 THR 7 3HG2 THR 7 -2.117 -1.906 3.167 52 H LEU 8 H LEU 8 -4.062 -1.280 7.324 53 HA LEU 8 HA LEU 8 -5.343 -3.455 8.804 54 1HB LEU 8 2HB LEU 8 -5.482 -1.337 10.531 55 2HB LEU 8 1HB LEU 8 -4.420 -2.712 10.683 56 HG LEU 8 HG LEU 8 -3.214 -0.642 11.043 57 1HD1 LEU 8 1HD1 LEU 8 -2.128 -1.351 8.412 58 2HD1 LEU 8 2HD1 LEU 8 -2.368 -2.699 9.523 59 3HD1 LEU 8 3HD1 LEU 8 -1.358 -1.333 9.997 60 1HD2 LEU 8 1HD2 LEU 8 -4.815 0.598 9.413 61 2HD2 LEU 8 2HD2 LEU 8 -3.605 0.164 8.211 62 3HD2 LEU 8 3HD2 LEU 8 -3.148 1.140 9.604 63 H TYR 9 H TYR 9 -5.540 -0.131 7.623 64 HA TYR 9 HA TYR 9 -8.450 -0.183 7.943 65 1HB TYR 9 2HB TYR 9 -6.483 1.844 8.254 66 2HB TYR 9 1HB TYR 9 -7.525 2.320 6.918 67 HD1 TYR 9 1HD TYR 9 -8.954 3.962 7.706 68 HD2 TYR 9 2HD TYR 9 -8.280 0.507 10.094 69 HE1 TYR 9 1HE TYR 9 -10.654 4.742 9.302 70 HE2 TYR 9 2HE TYR 9 -9.980 1.275 11.696 71 HH TYR 9 HH TYR 9 -11.076 3.299 12.386 72 HA PRO 10 HA PRO 10 -9.575 -0.651 3.726 73 1HB PRO 10 2HB PRO 10 -10.901 2.012 3.828 74 2HB PRO 10 1HB PRO 10 -11.562 0.441 3.363 75 1HG PRO 10 2HG PRO 10 -12.169 1.515 5.717 76 2HG PRO 10 1HG PRO 10 -11.874 -0.228 5.564 77 1HD PRO 10 2HD PRO 10 -10.095 1.909 6.662 78 2HD PRO 10 1HD PRO 10 -10.329 0.238 7.217 79 H PHE 11 H PHE 11 -9.795 0.744 1.593 80 HA PHE 11 HA PHE 11 -7.349 2.377 1.354 81 1HB PHE 11 2HB PHE 11 -7.148 1.532 -0.942 82 2HB PHE 11 1HB PHE 11 -7.153 0.205 0.219 83 HD1 PHE 11 1HD PHE 11 -9.347 -1.027 0.602 84 HD2 PHE 11 2HD PHE 11 -8.681 1.579 -2.696 85 HE1 PHE 11 1HE PHE 11 -11.221 -2.075 -0.599 86 HE2 PHE 11 2HE PHE 11 -10.555 0.536 -3.903 87 HZ PHE 11 HZ PHE 11 -11.826 -1.294 -2.854 88 H SER 12 H SER 12 -7.545 4.377 0.484 89 HA SER 12 HA SER 12 -10.058 5.033 -0.903 90 1HB SER 12 2HB SER 12 -10.183 5.921 1.374 91 2HB SER 12 1HB SER 12 -8.645 6.752 1.149 92 HG SER 12 HG SER 12 -9.590 8.204 -0.114 93 H SER 13 H SER 13 -9.646 5.664 -2.920 94 HA SER 13 HA SER 13 -7.017 6.737 -3.590 95 1HB SER 13 2HB SER 13 -8.684 5.005 -4.924 96 2HB SER 13 1HB SER 13 -8.987 6.527 -5.757 97 HG SER 13 HG SER 13 -7.270 5.722 -6.794 98 H VAL 14 H VAL 14 -6.650 8.815 -4.346 99 HA VAL 14 HA VAL 14 -8.947 10.568 -4.730 100 HB VAL 14 HB VAL 14 -8.004 12.291 -3.258 101 1HG1 VAL 14 1HG1 VAL 14 -8.875 11.411 -1.270 102 2HG1 VAL 14 2HG1 VAL 14 -8.366 9.771 -1.673 103 3HG1 VAL 14 3HG1 VAL 14 -9.702 10.521 -2.549 104 1HG2 VAL 14 1HG2 VAL 14 -6.072 12.101 -2.102 105 2HG2 VAL 14 2HG2 VAL 14 -5.669 10.964 -3.387 106 3HG2 VAL 14 3HG2 VAL 14 -6.275 10.368 -1.843 107 H THR 15 H THR 15 -5.476 10.038 -5.110 108 HA THR 15 HA THR 15 -5.134 12.466 -6.643 109 HB THR 15 HB THR 15 -3.183 10.187 -6.293 110 HG1 THR 15 1HG THR 15 -2.976 10.855 -4.333 111 1HG2 THR 15 1HG2 THR 15 -2.942 12.960 -7.337 112 2HG2 THR 15 2HG2 THR 15 -2.182 11.470 -7.894 113 3HG2 THR 15 3HG2 THR 15 -1.599 12.262 -6.432 114 H GLU 16 H GLU 16 -4.152 12.421 -8.818 115 HA GLU 16 HA GLU 16 -5.782 11.039 -10.644 116 1HB GLU 16 2HB GLU 16 -3.963 13.143 -10.752 117 2HB GLU 16 1HB GLU 16 -3.245 11.909 -11.778 118 1HG GLU 16 2HG GLU 16 -5.618 11.771 -12.823 119 2HG GLU 16 1HG GLU 16 -5.829 13.362 -12.094 120 H GLU 17 H GLU 17 -2.538 10.395 -9.436 121 HA GLU 17 HA GLU 17 -2.370 7.985 -11.092 122 1HB GLU 17 2HB GLU 17 -0.028 7.902 -10.473 123 2HB GLU 17 1HB GLU 17 -0.420 9.515 -11.049 124 1HG GLU 17 2HG GLU 17 -0.686 10.174 -8.624 125 2HG GLU 17 1HG GLU 17 0.043 8.620 -8.223 126 H GLU 18 H GLU 18 -4.220 8.175 -8.898 127 HA GLU 18 HA GLU 18 -3.071 6.381 -6.898 128 1HB GLU 18 2HB GLU 18 -4.463 8.566 -6.450 129 2HB GLU 18 1HB GLU 18 -5.829 7.492 -6.682 130 1HG GLU 18 2HG GLU 18 -5.638 6.784 -4.604 131 2HG GLU 18 1HG GLU 18 -4.009 6.219 -4.929 132 H LEU 19 H LEU 19 -4.866 4.802 -6.005 133 HA LEU 19 HA LEU 19 -6.438 3.686 -8.193 134 1HB LEU 19 2HB LEU 19 -4.041 2.458 -7.022 135 2HB LEU 19 1HB LEU 19 -5.431 1.397 -7.133 136 HG LEU 19 HG LEU 19 -5.545 2.267 -9.584 137 1HD1 LEU 19 1HD1 LEU 19 -3.796 3.330 -10.456 138 2HD1 LEU 19 2HD1 LEU 19 -2.631 2.391 -9.524 139 3HD1 LEU 19 3HD1 LEU 19 -3.447 3.766 -8.786 140 1HD2 LEU 19 1HD2 LEU 19 -4.945 -0.056 -8.601 141 2HD2 LEU 19 2HD2 LEU 19 -3.288 0.397 -8.990 142 3HD2 LEU 19 3HD2 LEU 19 -4.497 0.305 -10.268 143 H ASN 20 H ASN 20 -7.822 1.915 -7.507 144 HA ASN 20 HA ASN 20 -8.505 1.976 -4.652 145 1HB ASN 20 2HB ASN 20 -10.950 1.956 -5.351 146 2HB ASN 20 1HB ASN 20 -10.106 3.487 -5.567 147 1HD2 ASN 20 1HD2 ASN 20 -12.368 1.771 -6.928 148 2HD2 ASN 20 2HD2 ASN 20 -12.062 2.046 -8.605 149 H PHE 21 H PHE 21 -7.874 -0.037 -4.197 150 HA PHE 21 HA PHE 21 -9.281 -2.216 -5.571 151 1HB PHE 21 2HB PHE 21 -6.952 -3.471 -4.982 152 2HB PHE 21 1HB PHE 21 -7.317 -2.767 -6.551 153 HD1 PHE 21 1HD PHE 21 -6.282 -1.198 -3.333 154 HD2 PHE 21 2HD PHE 21 -5.349 -1.941 -7.418 155 HE1 PHE 21 1HE PHE 21 -4.294 0.236 -3.134 156 HE2 PHE 21 2HE PHE 21 -3.357 -0.510 -7.225 157 HZ PHE 21 HZ PHE 21 -2.828 0.581 -5.082 158 H GLU 22 H GLU 22 -9.479 -4.184 -4.294 159 HA GLU 22 HA GLU 22 -10.164 -3.636 -1.608 160 1HB GLU 22 2HB GLU 22 -9.882 -6.170 -3.187 161 2HB GLU 22 1HB GLU 22 -10.258 -6.210 -1.472 162 1HG GLU 22 2HG GLU 22 -12.380 -6.157 -2.164 163 2HG GLU 22 1HG GLU 22 -12.089 -4.428 -2.353 164 H LYS 23 H LYS 23 -8.537 -2.928 -0.373 165 HA LYS 23 HA LYS 23 -5.925 -4.078 -0.371 166 1HB LYS 23 2HB LYS 23 -7.119 -1.739 0.636 167 2HB LYS 23 1HB LYS 23 -6.491 -2.596 2.036 168 1HG LYS 23 2HG LYS 23 -4.957 -1.712 -0.395 169 2HG LYS 23 1HG LYS 23 -4.820 -1.084 1.247 170 1HD LYS 23 2HD LYS 23 -3.203 -2.566 1.619 171 2HD LYS 23 1HD LYS 23 -4.395 -3.855 1.449 172 1HE LYS 23 2HE LYS 23 -3.721 -3.041 -1.160 173 2HE LYS 23 1HE LYS 23 -2.206 -3.165 -0.269 174 1HZ LYS 23 1HZ LYS 23 -2.523 -5.290 -1.072 175 2HZ LYS 23 2HZ LYS 23 -4.195 -5.263 -0.830 176 3HZ LYS 23 3HZ LYS 23 -3.153 -5.414 0.494 177 H GLY 24 H GLY 24 -5.073 -5.626 0.882 178 1HA GLY 24 2HA GLY 24 -6.897 -7.041 2.685 179 2HA GLY 24 1HA GLY 24 -5.397 -7.678 2.024 180 H GLU 25 H GLU 25 -4.590 -8.297 4.029 181 HA GLU 25 HA GLU 25 -4.188 -6.237 6.032 182 1HB GLU 25 2HB GLU 25 -4.835 -8.897 6.243 183 2HB GLU 25 1HB GLU 25 -3.114 -8.895 6.610 184 1HG GLU 25 2HG GLU 25 -3.377 -7.629 8.497 185 2HG GLU 25 1HG GLU 25 -4.879 -6.906 7.926 186 H THR 26 H THR 26 -2.534 -7.780 3.536 187 HA THR 26 HA THR 26 -0.004 -6.613 4.465 188 HB THR 26 HB THR 26 0.931 -8.678 3.035 189 HG1 THR 26 1HG THR 26 -1.387 -9.692 4.313 190 1HG2 THR 26 1HG2 THR 26 0.230 -8.601 5.944 191 2HG2 THR 26 2HG2 THR 26 1.801 -8.367 5.176 192 3HG2 THR 26 3HG2 THR 26 1.069 -9.972 5.217 193 H MET 27 H MET 27 1.068 -5.439 3.053 194 HA MET 27 HA MET 27 0.546 -5.708 0.190 195 1HB MET 27 2HB MET 27 -0.915 -3.897 1.063 196 2HB MET 27 1HB MET 27 0.516 -3.050 1.634 197 1HG MET 27 2HG MET 27 -0.321 -2.157 -0.483 198 2HG MET 27 1HG MET 27 1.313 -2.800 -0.621 199 1HE MET 27 1HE MET 27 -2.374 -3.589 -2.788 200 2HE MET 27 2HE MET 27 -1.056 -2.760 -3.618 201 3HE MET 27 3HE MET 27 -1.618 -2.176 -2.051 202 H GLU 28 H GLU 28 2.226 -4.495 -1.099 203 HA GLU 28 HA GLU 28 4.781 -4.366 0.389 204 1HB GLU 28 2HB GLU 28 5.825 -5.102 -1.824 205 2HB GLU 28 1HB GLU 28 4.946 -6.325 -0.918 206 1HG GLU 28 2HG GLU 28 2.964 -5.823 -2.385 207 2HG GLU 28 1HG GLU 28 4.053 -4.856 -3.378 208 H VAL 29 H VAL 29 5.599 -2.392 0.378 209 HA VAL 29 HA VAL 29 4.725 -0.470 -1.627 210 HB VAL 29 HB VAL 29 6.052 -0.194 1.054 211 1HG1 VAL 29 1HG1 VAL 29 7.181 1.378 -0.512 212 2HG1 VAL 29 2HG1 VAL 29 6.254 2.189 0.748 213 3HG1 VAL 29 3HG1 VAL 29 5.605 2.073 -0.887 214 1HG2 VAL 29 1HG2 VAL 29 3.684 1.326 0.115 215 2HG2 VAL 29 2HG2 VAL 29 4.101 0.768 1.734 216 3HG2 VAL 29 3HG2 VAL 29 3.501 -0.375 0.534 217 H ILE 30 H ILE 30 5.997 0.509 -3.063 218 HA ILE 30 HA ILE 30 8.681 -0.587 -3.454 219 HB ILE 30 HB ILE 30 8.392 0.893 -5.645 220 1HG1 ILE 30 2HG1 ILE 30 6.058 1.577 -4.615 221 2HG1 ILE 30 1HG1 ILE 30 6.236 1.328 -6.340 222 1HG2 ILE 30 1HG2 ILE 30 8.804 -1.308 -6.045 223 2HG2 ILE 30 2HG2 ILE 30 7.130 -1.212 -6.593 224 3HG2 ILE 30 3HG2 ILE 30 7.499 -1.860 -4.994 225 1HD1 ILE 30 1HD1 ILE 30 5.110 -0.635 -4.368 226 2HD1 ILE 30 2HD1 ILE 30 5.335 -0.935 -6.091 227 3HD1 ILE 30 3HD1 ILE 30 4.209 0.307 -5.553 228 H GLU 31 H GLU 31 6.995 2.521 -3.216 229 HA GLU 31 HA GLU 31 9.596 3.848 -2.834 230 1HB GLU 31 2HB GLU 31 8.022 4.586 -4.724 231 2HB GLU 31 1HB GLU 31 7.001 5.246 -3.454 232 1HG GLU 31 2HG GLU 31 8.406 6.972 -4.383 233 2HG GLU 31 1HG GLU 31 8.850 6.661 -2.706 234 H LYS 32 H LYS 32 10.079 4.396 -0.811 235 HA LYS 32 HA LYS 32 7.928 4.530 1.158 236 1HB LYS 32 2HB LYS 32 10.897 4.120 1.355 237 2HB LYS 32 1HB LYS 32 9.930 4.516 2.765 238 1HG LYS 32 2HG LYS 32 10.257 2.134 2.639 239 2HG LYS 32 1HG LYS 32 8.557 2.517 2.364 240 1HD LYS 32 2HD LYS 32 8.883 2.292 -0.042 241 2HD LYS 32 1HD LYS 32 10.594 1.950 0.210 242 1HE LYS 32 2HE LYS 32 9.220 0.147 1.846 243 2HE LYS 32 1HE LYS 32 8.323 0.180 0.327 244 1HZ LYS 32 1HZ LYS 32 10.920 0.070 -0.465 245 2HZ LYS 32 2HZ LYS 32 9.859 -1.244 -0.393 246 3HZ LYS 32 3HZ LYS 32 10.906 -0.931 0.899 247 HA PRO 33 HA PRO 33 8.595 8.921 1.446 248 1HB PRO 33 2HB PRO 33 6.688 9.396 3.331 249 2HB PRO 33 1HB PRO 33 6.324 9.076 1.635 250 1HG PRO 33 2HG PRO 33 5.836 7.402 3.965 251 2HG PRO 33 1HG PRO 33 5.221 7.224 2.317 252 1HD PRO 33 2HD PRO 33 7.431 5.840 3.612 253 2HD PRO 33 1HD PRO 33 6.648 5.493 2.058 254 H GLU 34 H GLU 34 9.972 6.865 3.408 255 HA GLU 34 HA GLU 34 10.193 8.381 5.843 256 1HB GLU 34 2HB GLU 34 11.872 6.690 6.476 257 2HB GLU 34 1HB GLU 34 10.374 5.957 5.920 258 1HG GLU 34 2HG GLU 34 11.340 5.370 3.832 259 2HG GLU 34 1HG GLU 34 12.782 6.330 4.162 260 H ASN 35 H ASN 35 12.115 7.898 2.934 261 HA ASN 35 HA ASN 35 14.181 9.702 3.954 262 1HB ASN 35 2HB ASN 35 15.460 9.024 1.953 263 2HB ASN 35 1HB ASN 35 14.964 7.636 2.916 264 1HD2 ASN 35 1HD2 ASN 35 13.537 6.174 2.082 265 2HD2 ASN 35 2HD2 ASN 35 13.016 6.191 0.436 266 H ASP 36 H ASP 36 11.922 9.358 1.248 267 HA ASP 36 HA ASP 36 12.221 12.244 0.737 268 1HB ASP 36 2HB ASP 36 13.188 10.774 -1.064 269 2HB ASP 36 1HB ASP 36 11.562 10.160 -1.349 270 HA PRO 37 HA PRO 37 7.871 11.802 2.025 271 1HB PRO 37 2HB PRO 37 8.037 14.754 1.902 272 2HB PRO 37 1HB PRO 37 7.512 13.710 3.227 273 1HG PRO 37 2HG PRO 37 9.858 14.988 3.320 274 2HG PRO 37 1HG PRO 37 9.672 13.351 3.978 275 1HD PRO 37 2HD PRO 37 10.890 14.228 1.386 276 2HD PRO 37 1HD PRO 37 11.434 12.974 2.519 277 H GLU 38 H GLU 38 7.574 11.000 -0.228 278 HA GLU 38 HA GLU 38 6.403 13.097 -1.933 279 1HB GLU 38 2HB GLU 38 8.378 12.191 -2.997 280 2HB GLU 38 1HB GLU 38 7.802 10.549 -2.758 281 1HG GLU 38 2HG GLU 38 7.406 11.049 -5.014 282 2HG GLU 38 1HG GLU 38 5.837 11.160 -4.220 283 H TRP 39 H TRP 39 6.206 9.575 -2.278 284 HA TRP 39 HA TRP 39 3.464 9.550 -1.345 285 1HB TRP 39 2HB TRP 39 4.212 9.417 -4.218 286 2HB TRP 39 1HB TRP 39 2.948 8.323 -3.664 287 HD1 TRP 39 HD TRP 39 1.242 10.042 -1.788 288 HE1 TRP 39 1HE TRP 39 -0.040 12.109 -2.628 289 HE3 TRP 39 3HE TRP 39 3.959 11.028 -6.007 290 HZ2 TRP 39 2HZ TRP 39 0.084 13.920 -4.790 291 HZ3 TRP 39 3HZ TRP 39 3.312 12.946 -7.405 292 HH2 TRP 39 HH TRP 39 1.413 14.361 -6.808 293 H TRP 40 H TRP 40 2.536 7.354 -1.303 294 HA TRP 40 HA TRP 40 4.593 5.261 -1.260 295 1HB TRP 40 2HB TRP 40 4.339 5.678 0.991 296 2HB TRP 40 1HB TRP 40 2.677 6.201 0.827 297 HD1 TRP 40 HD TRP 40 1.799 3.201 -0.467 298 HE1 TRP 40 1HE TRP 40 1.465 1.338 1.259 299 HE3 TRP 40 3HE TRP 40 4.477 5.189 3.399 300 HZ2 TRP 40 2HZ TRP 40 2.211 0.791 3.897 301 HZ3 TRP 40 3HZ TRP 40 4.614 3.921 5.499 302 HH2 TRP 40 HH TRP 40 3.502 1.762 5.736 303 H LYS 41 H LYS 41 4.108 4.044 -2.925 304 HA LYS 41 HA LYS 41 1.314 3.290 -3.386 305 1HB LYS 41 2HB LYS 41 1.983 3.063 -5.822 306 2HB LYS 41 1HB LYS 41 1.776 4.681 -5.189 307 1HG LYS 41 2HG LYS 41 3.696 4.876 -6.392 308 2HG LYS 41 1HG LYS 41 4.333 4.565 -4.786 309 1HD LYS 41 2HD LYS 41 5.565 3.082 -6.020 310 2HD LYS 41 1HD LYS 41 4.183 2.089 -5.589 311 1HE LYS 41 2HE LYS 41 5.154 2.736 -8.172 312 2HE LYS 41 1HE LYS 41 3.812 1.685 -7.729 313 1HZ LYS 41 1HZ LYS 41 2.957 3.327 -9.167 314 2HZ LYS 41 2HZ LYS 41 3.723 4.586 -8.340 315 3HZ LYS 41 3HZ LYS 41 2.431 3.768 -7.620 316 H CYS 42 H CYS 42 0.819 1.216 -3.784 317 HA CYS 42 HA CYS 42 3.049 -0.685 -3.817 318 1HB CYS 42 2HB CYS 42 0.527 -1.554 -2.522 319 2HB CYS 42 1HB CYS 42 2.189 -1.921 -2.095 320 HG CYS 42 HG CYS 42 0.496 0.303 -0.914 321 H LYS 43 H LYS 43 2.538 -2.758 -4.803 322 HA LYS 43 HA LYS 43 0.688 -2.435 -7.023 323 1HB LYS 43 2HB LYS 43 1.794 -4.366 -7.992 324 2HB LYS 43 1HB LYS 43 2.986 -3.186 -7.466 325 1HG LYS 43 2HG LYS 43 3.234 -4.541 -5.360 326 2HG LYS 43 1HG LYS 43 2.253 -5.781 -6.144 327 1HD LYS 43 2HD LYS 43 4.606 -6.287 -6.426 328 2HD LYS 43 1HD LYS 43 3.888 -5.877 -7.985 329 1HE LYS 43 2HE LYS 43 6.134 -4.853 -7.554 330 2HE LYS 43 1HE LYS 43 4.856 -3.702 -7.948 331 1HZ LYS 43 1HZ LYS 43 4.793 -2.905 -5.813 332 2HZ LYS 43 2HZ LYS 43 6.442 -3.249 -5.967 333 3HZ LYS 43 3HZ LYS 43 5.431 -4.316 -5.131 334 H ASN 44 H ASN 44 -0.979 -3.723 -7.501 335 HA ASN 44 HA ASN 44 -1.844 -5.659 -5.465 336 1HB ASN 44 2HB ASN 44 -3.084 -3.297 -5.895 337 2HB ASN 44 1HB ASN 44 -3.903 -4.286 -7.099 338 1HD2 ASN 44 1HD2 ASN 44 -4.073 -3.213 -4.026 339 2HD2 ASN 44 2HD2 ASN 44 -5.050 -4.454 -3.328 340 H ALA 45 H ALA 45 -3.698 -7.034 -6.472 341 HA ALA 45 HA ALA 45 -2.509 -8.490 -8.579 342 1HB ALA 45 1HB ALA 45 -5.341 -9.031 -8.101 343 2HB ALA 45 2HB ALA 45 -4.343 -9.050 -6.647 344 3HB ALA 45 3HB ALA 45 -3.945 -10.105 -8.004 345 H ARG 46 H ARG 46 -4.070 -5.603 -8.801 346 HA ARG 46 HA ARG 46 -5.620 -6.151 -11.183 347 1HB ARG 46 2HB ARG 46 -4.888 -3.369 -10.377 348 2HB ARG 46 1HB ARG 46 -6.386 -3.969 -11.064 349 1HG ARG 46 2HG ARG 46 -5.534 -4.600 -8.256 350 2HG ARG 46 1HG ARG 46 -6.465 -3.166 -8.676 351 1HD ARG 46 2HD ARG 46 -8.039 -4.797 -8.006 352 2HD ARG 46 1HD ARG 46 -8.138 -4.699 -9.762 353 HE ARG 46 HE ARG 46 -6.377 -6.758 -8.765 354 1HH1 ARG 46 1HH1 ARG 46 -9.631 -5.958 -9.747 355 2HH1 ARG 46 2HH1 ARG 46 -10.061 -7.597 -10.097 356 1HH2 ARG 46 1HH2 ARG 46 -6.946 -8.918 -9.227 357 2HH2 ARG 46 2HH2 ARG 46 -8.540 -9.277 -9.802 358 H GLY 47 H GLY 47 -2.370 -5.716 -10.513 359 1HA GLY 47 2HA GLY 47 -0.609 -5.676 -12.040 360 2HA GLY 47 1HA GLY 47 -1.760 -5.318 -13.320 361 H GLN 48 H GLN 48 -2.707 -3.171 -11.214 362 HA GLN 48 HA GLN 48 -0.745 -1.133 -11.997 363 1HB GLN 48 2HB GLN 48 -3.711 -1.178 -12.063 364 2HB GLN 48 1HB GLN 48 -2.967 0.322 -11.529 365 1HG GLN 48 2HG GLN 48 -3.474 0.242 -13.954 366 2HG GLN 48 1HG GLN 48 -1.778 0.548 -13.584 367 1HE2 GLN 48 1HE2 GLN 48 -0.706 -0.299 -15.242 368 2HE2 GLN 48 2HE2 GLN 48 -0.862 -1.923 -15.811 369 H VAL 49 H VAL 49 0.014 0.212 -10.427 370 HA VAL 49 HA VAL 49 -1.066 -0.210 -7.719 371 HB VAL 49 HB VAL 49 1.010 -0.944 -7.272 372 1HG1 VAL 49 1HG1 VAL 49 1.963 0.575 -9.653 373 2HG1 VAL 49 2HG1 VAL 49 1.807 -1.171 -9.455 374 3HG1 VAL 49 3HG1 VAL 49 3.044 -0.288 -8.559 375 1HG2 VAL 49 1HG2 VAL 49 1.862 1.921 -7.453 376 2HG2 VAL 49 2HG2 VAL 49 2.430 0.683 -6.335 377 3HG2 VAL 49 3HG2 VAL 49 0.793 1.321 -6.187 378 H GLY 50 H GLY 50 -1.774 1.500 -6.642 379 1HA GLY 50 2HA GLY 50 -1.237 4.153 -7.813 380 2HA GLY 50 1HA GLY 50 -2.748 3.719 -7.044 381 H LEU 51 H LEU 51 -2.427 5.595 -5.761 382 HA LEU 51 HA LEU 51 -0.306 5.366 -3.765 383 1HB LEU 51 2HB LEU 51 -1.834 7.592 -4.922 384 2HB LEU 51 1HB LEU 51 -1.533 7.722 -3.201 385 HG LEU 51 HG LEU 51 0.757 7.942 -3.469 386 1HD1 LEU 51 1HD1 LEU 51 0.403 6.066 -5.637 387 2HD1 LEU 51 2HD1 LEU 51 1.829 6.413 -4.660 388 3HD1 LEU 51 3HD1 LEU 51 1.485 7.381 -6.091 389 1HD2 LEU 51 1HD2 LEU 51 -0.552 9.117 -5.903 390 2HD2 LEU 51 2HD2 LEU 51 1.123 9.442 -5.460 391 3HD2 LEU 51 3HD2 LEU 51 -0.185 9.910 -4.372 392 H VAL 52 H VAL 52 -0.652 4.901 -1.753 393 HA VAL 52 HA VAL 52 -3.426 4.474 -0.830 394 HB VAL 52 HB VAL 52 -2.370 2.368 -1.082 395 1HG1 VAL 52 1HG1 VAL 52 -0.095 2.191 0.363 396 2HG1 VAL 52 2HG1 VAL 52 -0.017 3.871 -0.169 397 3HG1 VAL 52 3HG1 VAL 52 -0.148 2.577 -1.359 398 1HG2 VAL 52 1HG2 VAL 52 -2.487 3.300 1.777 399 2HG2 VAL 52 2HG2 VAL 52 -1.837 1.702 1.403 400 3HG2 VAL 52 3HG2 VAL 52 -3.481 2.113 0.927 401 HA PRO 53 HA PRO 53 -2.814 7.186 2.656 402 1HB PRO 53 2HB PRO 53 -4.199 5.792 4.532 403 2HB PRO 53 1HB PRO 53 -5.004 6.689 3.238 404 1HG PRO 53 2HG PRO 53 -4.218 3.771 3.292 405 2HG PRO 53 1HG PRO 53 -5.836 4.469 2.979 406 1HD PRO 53 2HD PRO 53 -4.360 3.800 0.930 407 2HD PRO 53 1HD PRO 53 -5.115 5.409 0.922 408 H LYS 54 H LYS 54 -0.478 6.569 2.684 409 HA LYS 54 HA LYS 54 0.654 4.415 3.929 410 1HB LYS 54 2HB LYS 54 2.533 6.029 4.527 411 2HB LYS 54 1HB LYS 54 2.102 5.837 2.833 412 1HG LYS 54 2HG LYS 54 1.985 8.033 2.754 413 2HG LYS 54 1HG LYS 54 0.482 7.897 3.657 414 1HD LYS 54 2HD LYS 54 1.937 7.926 5.752 415 2HD LYS 54 1HD LYS 54 3.239 8.486 4.697 416 1HE LYS 54 2HE LYS 54 1.208 10.147 3.980 417 2HE LYS 54 1HE LYS 54 0.863 9.898 5.691 418 1HZ LYS 54 1HZ LYS 54 2.450 11.791 4.939 419 2HZ LYS 54 2HZ LYS 54 3.603 10.556 4.863 420 3HZ LYS 54 3HZ LYS 54 2.814 10.887 6.322 421 H ASN 55 H ASN 55 -0.952 7.096 5.430 422 HA ASN 55 HA ASN 55 0.119 6.592 8.059 423 1HB ASN 55 2HB ASN 55 -1.158 8.744 6.830 424 2HB ASN 55 1HB ASN 55 -2.321 8.170 8.021 425 1HD2 ASN 55 1HD2 ASN 55 -1.965 10.203 9.077 426 2HD2 ASN 55 2HD2 ASN 55 -0.595 10.408 10.110 427 H TYR 56 H TYR 56 -2.313 5.240 6.163 428 HA TYR 56 HA TYR 56 -3.855 4.291 8.472 429 1HB TYR 56 2HB TYR 56 -4.411 4.117 5.502 430 2HB TYR 56 1HB TYR 56 -5.467 3.488 6.758 431 HD1 TYR 56 1HD TYR 56 -7.390 4.733 6.674 432 HD2 TYR 56 2HD TYR 56 -3.653 6.759 6.515 433 HE1 TYR 56 1HE TYR 56 -8.563 6.892 6.809 434 HE2 TYR 56 2HE TYR 56 -4.813 8.922 6.655 435 HH TYR 56 HH TYR 56 -7.576 9.576 5.927 436 H VAL 57 H VAL 57 -1.155 3.313 7.830 437 HA VAL 57 HA VAL 57 -1.801 0.469 7.683 438 HB VAL 57 HB VAL 57 -0.414 -0.045 5.858 439 1HG1 VAL 57 1HG1 VAL 57 -1.673 2.582 5.075 440 2HG1 VAL 57 2HG1 VAL 57 -2.550 1.060 5.212 441 3HG1 VAL 57 3HG1 VAL 57 -1.271 1.236 4.009 442 1HG2 VAL 57 1HG2 VAL 57 1.552 1.000 5.783 443 2HG2 VAL 57 2HG2 VAL 57 0.922 2.428 6.604 444 3HG2 VAL 57 3HG2 VAL 57 0.724 2.256 4.862 445 H VAL 58 H VAL 58 0.361 -0.820 7.758 446 HA VAL 58 HA VAL 58 2.348 0.452 9.496 447 HB VAL 58 HB VAL 58 0.879 -0.718 11.044 448 1HG1 VAL 58 1HG1 VAL 58 0.428 -2.483 9.017 449 2HG1 VAL 58 2HG1 VAL 58 -0.040 -2.729 10.699 450 3HG1 VAL 58 3HG1 VAL 58 1.465 -3.420 10.092 451 1HG2 VAL 58 1HG2 VAL 58 2.563 -1.571 12.278 452 2HG2 VAL 58 2HG2 VAL 58 3.567 -0.938 10.974 453 3HG2 VAL 58 3HG2 VAL 58 3.110 -2.641 10.986 454 H VAL 59 H VAL 59 4.203 0.264 8.417 455 HA VAL 59 HA VAL 59 4.589 -1.490 6.256 456 HB VAL 59 HB VAL 59 6.811 -0.105 7.737 457 1HG1 VAL 59 1HG1 VAL 59 7.264 -0.127 4.984 458 2HG1 VAL 59 2HG1 VAL 59 6.636 -1.731 5.349 459 3HG1 VAL 59 3HG1 VAL 59 8.061 -1.132 6.196 460 1HG2 VAL 59 1HG2 VAL 59 4.807 1.340 6.999 461 2HG2 VAL 59 2HG2 VAL 59 5.381 1.022 5.363 462 3HG2 VAL 59 3HG2 VAL 59 6.428 1.841 6.520 463 H LEU 60 H LEU 60 5.905 -3.183 5.908 464 HA LEU 60 HA LEU 60 6.612 -4.804 8.216 465 1HB LEU 60 2HB LEU 60 5.222 -5.376 5.793 466 2HB LEU 60 1HB LEU 60 6.727 -6.275 5.781 467 HG LEU 60 HG LEU 60 6.156 -7.386 7.836 468 1HD1 LEU 60 1HD1 LEU 60 3.555 -6.781 8.445 469 2HD1 LEU 60 2HD1 LEU 60 4.239 -5.202 8.063 470 3HD1 LEU 60 3HD1 LEU 60 4.975 -6.202 9.315 471 1HD2 LEU 60 1HD2 LEU 60 5.240 -8.691 6.222 472 2HD2 LEU 60 2HD2 LEU 60 4.239 -7.388 5.582 473 3HD2 LEU 60 3HD2 LEU 60 3.753 -8.232 7.053 474 H SER 61 H SER 61 8.532 -6.144 7.853 475 HA SER 61 HA SER 61 10.811 -4.629 7.384 476 1HB SER 61 2HB SER 61 10.893 -7.615 7.097 477 2HB SER 61 1HB SER 61 12.049 -6.538 7.880 478 HG SER 61 HG SER 61 10.666 -6.315 9.598 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 13.670 -9.669 5.737 2 2H GLY 1 2HT GLY 1 13.383 -11.269 5.268 3 3H GLY 1 3HT GLY 1 12.335 -10.041 4.767 4 1HA GLY 1 1HA GLY 1 15.140 -9.736 4.043 5 2HA GLY 1 2HA GLY 1 14.248 -11.006 3.219 6 H SER 2 H SER 2 12.159 -10.339 2.217 7 HA SER 2 HA SER 2 12.580 -8.133 0.497 8 1HB SER 2 2HB SER 2 10.842 -10.345 0.590 9 2HB SER 2 1HB SER 2 9.796 -8.922 0.589 10 HG SER 2 HG SER 2 10.707 -8.266 -1.317 11 H HIS 3 H HIS 3 11.646 -6.110 0.430 12 HA HIS 3 HA HIS 3 10.701 -5.090 2.968 13 1HB HIS 3 2HB HIS 3 10.399 -3.139 0.898 14 2HB HIS 3 1HB HIS 3 11.530 -3.146 2.241 15 HD1 HIS 3 1HD HIS 3 11.397 -3.255 -1.370 16 HD2 HIS 3 2HD HIS 3 14.018 -4.600 1.560 17 HE1 HIS 3 1HE HIS 3 13.570 -3.690 -2.560 18 HE2 HIS 3 2HE HIS 3 15.117 -4.580 -0.781 19 H VAL 4 H VAL 4 8.670 -5.376 3.523 20 HA VAL 4 HA VAL 4 6.601 -5.069 1.447 21 HB VAL 4 HB VAL 4 5.880 -6.864 3.657 22 1HG1 VAL 4 1HG1 VAL 4 4.833 -6.258 1.257 23 2HG1 VAL 4 2HG1 VAL 4 4.526 -7.782 2.090 24 3HG1 VAL 4 3HG1 VAL 4 5.754 -7.699 0.826 25 1HG2 VAL 4 1HG2 VAL 4 8.221 -7.527 3.365 26 2HG2 VAL 4 2HG2 VAL 4 7.935 -7.763 1.641 27 3HG2 VAL 4 3HG2 VAL 4 7.113 -8.786 2.818 28 H VAL 5 H VAL 5 4.405 -4.690 2.423 29 HA VAL 5 HA VAL 5 4.607 -3.176 4.917 30 HB VAL 5 HB VAL 5 4.381 -1.282 3.804 31 1HG1 VAL 5 1HG1 VAL 5 4.659 -1.159 1.643 32 2HG1 VAL 5 2HG1 VAL 5 3.118 -1.950 1.311 33 3HG1 VAL 5 3HG1 VAL 5 4.559 -2.914 1.621 34 1HG2 VAL 5 1HG2 VAL 5 2.149 -0.581 3.074 35 2HG2 VAL 5 2HG2 VAL 5 2.137 -1.382 4.648 36 3HG2 VAL 5 3HG2 VAL 5 1.607 -2.255 3.211 37 H GLN 6 H GLN 6 2.709 -2.974 6.126 38 HA GLN 6 HA GLN 6 0.753 -5.093 5.529 39 1HB GLN 6 2HB GLN 6 2.412 -5.063 7.638 40 2HB GLN 6 1HB GLN 6 1.074 -4.144 8.312 41 1HG GLN 6 2HG GLN 6 -0.433 -5.934 8.029 42 2HG GLN 6 1HG GLN 6 0.699 -6.820 7.008 43 1HE2 GLN 6 1HE2 GLN 6 -0.202 -5.984 10.235 44 2HE2 GLN 6 2HE2 GLN 6 0.878 -7.061 11.045 45 H THR 7 H THR 7 -1.432 -4.712 5.834 46 HA THR 7 HA THR 7 -2.135 -1.882 6.283 47 HB THR 7 HB THR 7 -4.285 -2.737 4.992 48 HG1 THR 7 1HG THR 7 -3.735 -4.800 4.563 49 1HG2 THR 7 1HG2 THR 7 -1.692 -1.925 3.704 50 2HG2 THR 7 2HG2 THR 7 -3.047 -0.891 4.155 51 3HG2 THR 7 3HG2 THR 7 -3.221 -2.050 2.837 52 H LEU 8 H LEU 8 -4.080 -1.412 7.339 53 HA LEU 8 HA LEU 8 -5.238 -3.606 8.896 54 1HB LEU 8 2HB LEU 8 -5.407 -1.344 10.508 55 2HB LEU 8 1HB LEU 8 -4.433 -2.766 10.783 56 HG LEU 8 HG LEU 8 -3.085 -0.797 11.044 57 1HD1 LEU 8 1HD1 LEU 8 -2.394 -2.926 9.509 58 2HD1 LEU 8 2HD1 LEU 8 -1.289 -1.659 10.047 59 3HD1 LEU 8 3HD1 LEU 8 -2.017 -1.572 8.442 60 1HD2 LEU 8 1HD2 LEU 8 -3.662 -0.063 8.204 61 2HD2 LEU 8 2HD2 LEU 8 -2.802 0.878 9.418 62 3HD2 LEU 8 3HD2 LEU 8 -4.541 0.620 9.567 63 H TYR 9 H TYR 9 -5.622 -0.259 7.767 64 HA TYR 9 HA TYR 9 -8.527 -0.505 8.089 65 1HB TYR 9 2HB TYR 9 -6.720 1.873 7.654 66 2HB TYR 9 1HB TYR 9 -8.475 1.986 7.560 67 HD1 TYR 9 1HD TYR 9 -5.816 2.585 9.640 68 HD2 TYR 9 2HD TYR 9 -9.635 0.708 9.703 69 HE1 TYR 9 1HE TYR 9 -5.916 2.883 12.079 70 HE2 TYR 9 2HE TYR 9 -9.745 1.002 12.144 71 HH TYR 9 HH TYR 9 -8.793 2.328 13.887 72 HA PRO 10 HA PRO 10 -9.495 -0.966 3.823 73 1HB PRO 10 2HB PRO 10 -11.481 0.923 3.494 74 2HB PRO 10 1HB PRO 10 -11.726 -0.681 4.190 75 1HG PRO 10 2HG PRO 10 -11.350 1.943 5.568 76 2HG PRO 10 1HG PRO 10 -12.452 0.612 5.970 77 1HD PRO 10 2HD PRO 10 -10.174 1.006 7.329 78 2HD PRO 10 1HD PRO 10 -10.780 -0.629 6.991 79 H PHE 11 H PHE 11 -9.444 0.103 1.728 80 HA PHE 11 HA PHE 11 -7.808 2.549 1.803 81 1HB PHE 11 2HB PHE 11 -7.751 0.123 0.071 82 2HB PHE 11 1HB PHE 11 -7.268 1.660 -0.638 83 HD1 PHE 11 1HD PHE 11 -4.980 1.172 -0.979 84 HD2 PHE 11 2HD PHE 11 -6.708 0.694 2.877 85 HE1 PHE 11 1HE PHE 11 -2.735 0.914 -0.004 86 HE2 PHE 11 2HE PHE 11 -4.473 0.438 3.859 87 HZ PHE 11 HZ PHE 11 -2.481 0.546 2.419 88 H SER 12 H SER 12 -8.404 4.313 0.710 89 HA SER 12 HA SER 12 -10.716 4.139 -1.100 90 1HB SER 12 2HB SER 12 -10.339 5.852 1.305 91 2HB SER 12 1HB SER 12 -11.097 6.599 -0.101 92 HG SER 12 HG SER 12 -12.242 5.065 1.684 93 H SER 13 H SER 13 -10.161 4.811 -3.062 94 HA SER 13 HA SER 13 -7.891 6.653 -3.329 95 1HB SER 13 2HB SER 13 -9.102 4.597 -5.156 96 2HB SER 13 1HB SER 13 -8.067 5.874 -5.796 97 HG SER 13 HG SER 13 -7.306 4.172 -3.664 98 H VAL 14 H VAL 14 -8.016 8.540 -4.480 99 HA VAL 14 HA VAL 14 -10.626 9.299 -5.584 100 HB VAL 14 HB VAL 14 -10.400 11.549 -4.587 101 1HG1 VAL 14 1HG1 VAL 14 -10.745 9.089 -2.971 102 2HG1 VAL 14 2HG1 VAL 14 -11.892 10.379 -3.332 103 3HG1 VAL 14 3HG1 VAL 14 -10.648 10.623 -2.107 104 1HG2 VAL 14 1HG2 VAL 14 -8.070 11.749 -4.219 105 2HG2 VAL 14 2HG2 VAL 14 -8.030 10.295 -3.222 106 3HG2 VAL 14 3HG2 VAL 14 -8.823 11.752 -2.624 107 H THR 15 H THR 15 -7.191 10.147 -5.270 108 HA THR 15 HA THR 15 -7.146 11.959 -7.444 109 HB THR 15 HB THR 15 -4.698 10.436 -6.662 110 HG1 THR 15 1HG THR 15 -4.707 11.152 -4.685 111 1HG2 THR 15 1HG2 THR 15 -4.289 13.176 -6.439 112 2HG2 THR 15 2HG2 THR 15 -5.295 12.974 -7.873 113 3HG2 THR 15 3HG2 THR 15 -3.760 12.117 -7.746 114 H GLU 16 H GLU 16 -5.567 11.535 -9.341 115 HA GLU 16 HA GLU 16 -6.659 9.364 -10.851 116 1HB GLU 16 2HB GLU 16 -5.295 11.799 -11.395 117 2HB GLU 16 1HB GLU 16 -4.387 10.501 -12.155 118 1HG GLU 16 2HG GLU 16 -5.998 10.072 -13.668 119 2HG GLU 16 1HG GLU 16 -7.305 10.429 -12.538 120 H GLU 17 H GLU 17 -3.573 10.034 -9.290 121 HA GLU 17 HA GLU 17 -2.124 7.876 -10.377 122 1HB GLU 17 2HB GLU 17 -1.664 8.950 -7.601 123 2HB GLU 17 1HB GLU 17 -0.488 8.298 -8.732 124 1HG GLU 17 2HG GLU 17 -0.962 10.275 -10.202 125 2HG GLU 17 1HG GLU 17 -1.888 10.950 -8.862 126 H GLU 18 H GLU 18 -3.931 8.182 -7.337 127 HA GLU 18 HA GLU 18 -3.468 5.674 -6.269 128 1HB GLU 18 2HB GLU 18 -5.512 7.764 -5.979 129 2HB GLU 18 1HB GLU 18 -6.065 6.161 -5.542 130 1HG GLU 18 2HG GLU 18 -4.845 6.109 -3.675 131 2HG GLU 18 1HG GLU 18 -3.453 6.872 -4.441 132 H LEU 19 H LEU 19 -5.763 4.281 -5.934 133 HA LEU 19 HA LEU 19 -7.427 3.850 -8.107 134 1HB LEU 19 2HB LEU 19 -6.549 2.136 -9.371 135 2HB LEU 19 1HB LEU 19 -5.139 3.127 -9.074 136 HG LEU 19 HG LEU 19 -4.327 1.001 -8.782 137 1HD1 LEU 19 1HD1 LEU 19 -4.267 2.600 -6.694 138 2HD1 LEU 19 2HD1 LEU 19 -3.501 1.012 -6.729 139 3HD1 LEU 19 3HD1 LEU 19 -5.079 1.216 -5.969 140 1HD2 LEU 19 1HD2 LEU 19 -6.500 0.048 -6.980 141 2HD2 LEU 19 2HD2 LEU 19 -5.443 -0.869 -8.052 142 3HD2 LEU 19 3HD2 LEU 19 -6.780 0.065 -8.722 143 H ASN 20 H ASN 20 -8.783 1.913 -7.849 144 HA ASN 20 HA ASN 20 -8.903 1.200 -5.009 145 1HB ASN 20 2HB ASN 20 -11.252 0.418 -5.649 146 2HB ASN 20 1HB ASN 20 -10.942 2.150 -5.694 147 1HD2 ASN 20 1HD2 ASN 20 -10.795 3.196 -7.678 148 2HD2 ASN 20 2HD2 ASN 20 -11.389 2.482 -9.136 149 H PHE 21 H PHE 21 -8.150 -0.665 -4.390 150 HA PHE 21 HA PHE 21 -8.577 -3.040 -6.064 151 1HB PHE 21 2HB PHE 21 -6.297 -3.833 -5.188 152 2HB PHE 21 1HB PHE 21 -6.295 -2.624 -6.466 153 HD1 PHE 21 1HD PHE 21 -4.618 -1.094 -6.237 154 HD2 PHE 21 2HD PHE 21 -6.557 -2.535 -2.733 155 HE1 PHE 21 1HE PHE 21 -3.205 0.370 -4.854 156 HE2 PHE 21 2HE PHE 21 -5.154 -1.069 -1.345 157 HZ PHE 21 HZ PHE 21 -3.472 0.386 -2.406 158 H GLU 22 H GLU 22 -8.411 -5.082 -4.771 159 HA GLU 22 HA GLU 22 -9.966 -4.873 -2.422 160 1HB GLU 22 2HB GLU 22 -9.939 -7.214 -2.334 161 2HB GLU 22 1HB GLU 22 -9.797 -6.856 -4.048 162 1HG GLU 22 2HG GLU 22 -7.329 -7.162 -3.821 163 2HG GLU 22 1HG GLU 22 -7.616 -7.718 -2.172 164 H LYS 23 H LYS 23 -9.210 -3.957 -0.641 165 HA LYS 23 HA LYS 23 -6.448 -3.956 0.053 166 1HB LYS 23 2HB LYS 23 -7.739 -2.045 0.665 167 2HB LYS 23 1HB LYS 23 -8.916 -3.033 1.513 168 1HG LYS 23 2HG LYS 23 -7.278 -1.699 2.920 169 2HG LYS 23 1HG LYS 23 -7.494 -3.398 3.325 170 1HD LYS 23 2HD LYS 23 -5.113 -2.418 3.276 171 2HD LYS 23 1HD LYS 23 -5.380 -3.986 2.526 172 1HE LYS 23 2HE LYS 23 -5.823 -2.145 0.482 173 2HE LYS 23 1HE LYS 23 -4.455 -1.492 1.374 174 1HZ LYS 23 1HZ LYS 23 -3.222 -2.923 0.235 175 2HZ LYS 23 2HZ LYS 23 -4.568 -3.762 -0.350 176 3HZ LYS 23 3HZ LYS 23 -3.912 -4.159 1.157 177 H GLY 24 H GLY 24 -5.352 -5.479 1.040 178 1HA GLY 24 2HA GLY 24 -6.824 -7.506 2.583 179 2HA GLY 24 1HA GLY 24 -5.233 -7.729 1.866 180 H GLU 25 H GLU 25 -4.387 -8.412 3.876 181 HA GLU 25 HA GLU 25 -4.339 -6.497 6.034 182 1HB GLU 25 2HB GLU 25 -4.781 -9.048 6.255 183 2HB GLU 25 1HB GLU 25 -3.033 -9.193 6.105 184 1HG GLU 25 2HG GLU 25 -2.660 -8.404 8.156 185 2HG GLU 25 1HG GLU 25 -3.926 -7.187 8.008 186 H THR 26 H THR 26 -2.577 -7.023 3.314 187 HA THR 26 HA THR 26 -0.423 -5.449 4.234 188 HB THR 26 HB THR 26 0.905 -6.983 5.090 189 HG1 THR 26 1HG THR 26 2.202 -7.165 3.451 190 1HG2 THR 26 1HG2 THR 26 -0.641 -8.633 5.614 191 2HG2 THR 26 2HG2 THR 26 0.582 -9.485 4.670 192 3HG2 THR 26 3HG2 THR 26 -0.943 -9.017 3.920 193 H MET 27 H MET 27 0.918 -4.703 2.713 194 HA MET 27 HA MET 27 0.615 -5.597 -0.051 195 1HB MET 27 2HB MET 27 0.805 -2.798 -0.215 196 2HB MET 27 1HB MET 27 -0.579 -3.793 -0.639 197 1HG MET 27 2HG MET 27 -1.656 -3.382 1.366 198 2HG MET 27 1HG MET 27 -0.165 -2.924 2.188 199 1HE MET 27 1HE MET 27 -1.481 -0.315 -1.279 200 2HE MET 27 2HE MET 27 -2.813 -1.302 -0.685 201 3HE MET 27 3HE MET 27 -1.328 -2.071 -1.246 202 H GLU 28 H GLU 28 2.371 -4.592 -1.426 203 HA GLU 28 HA GLU 28 4.800 -4.210 0.209 204 1HB GLU 28 2HB GLU 28 5.937 -5.018 -1.977 205 2HB GLU 28 1HB GLU 28 5.170 -6.202 -0.934 206 1HG GLU 28 2HG GLU 28 3.466 -5.052 -3.036 207 2HG GLU 28 1HG GLU 28 4.796 -6.070 -3.587 208 H VAL 29 H VAL 29 5.421 -2.166 0.182 209 HA VAL 29 HA VAL 29 4.693 -0.430 -2.019 210 HB VAL 29 HB VAL 29 5.823 0.086 0.724 211 1HG1 VAL 29 1HG1 VAL 29 5.416 2.096 -1.486 212 2HG1 VAL 29 2HG1 VAL 29 6.947 1.656 -0.727 213 3HG1 VAL 29 3HG1 VAL 29 5.709 2.496 0.206 214 1HG2 VAL 29 1HG2 VAL 29 3.329 -0.359 0.153 215 2HG2 VAL 29 2HG2 VAL 29 3.360 1.300 -0.442 216 3HG2 VAL 29 3HG2 VAL 29 3.757 0.959 1.242 217 H ILE 30 H ILE 30 6.011 0.347 -3.486 218 HA ILE 30 HA ILE 30 8.678 -0.720 -3.703 219 HB ILE 30 HB ILE 30 8.562 0.982 -5.792 220 1HG1 ILE 30 2HG1 ILE 30 6.136 1.517 -4.846 221 2HG1 ILE 30 1HG1 ILE 30 6.449 1.450 -6.570 222 1HG2 ILE 30 1HG2 ILE 30 7.795 -0.933 -7.128 223 2HG2 ILE 30 2HG2 ILE 30 7.324 -1.757 -5.642 224 3HG2 ILE 30 3HG2 ILE 30 9.020 -1.379 -5.940 225 1HD1 ILE 30 1HD1 ILE 30 5.586 -0.815 -6.660 226 2HD1 ILE 30 2HD1 ILE 30 4.396 0.288 -5.978 227 3HD1 ILE 30 3HD1 ILE 30 5.306 -0.788 -4.921 228 H GLU 31 H GLU 31 7.773 2.608 -4.497 229 HA GLU 31 HA GLU 31 10.280 3.595 -3.549 230 1HB GLU 31 2HB GLU 31 8.637 4.470 -5.444 231 2HB GLU 31 1HB GLU 31 8.011 5.441 -4.119 232 1HG GLU 31 2HG GLU 31 10.942 5.418 -4.486 233 2HG GLU 31 1HG GLU 31 9.985 6.249 -5.711 234 H LYS 32 H LYS 32 10.798 4.361 -1.614 235 HA LYS 32 HA LYS 32 8.649 4.696 0.356 236 1HB LYS 32 2HB LYS 32 11.256 3.474 0.447 237 2HB LYS 32 1HB LYS 32 11.143 4.739 1.663 238 1HG LYS 32 2HG LYS 32 10.493 2.437 2.419 239 2HG LYS 32 1HG LYS 32 9.298 3.700 2.712 240 1HD LYS 32 2HD LYS 32 7.934 2.961 0.931 241 2HD LYS 32 1HD LYS 32 9.213 1.940 0.271 242 1HE LYS 32 2HE LYS 32 8.462 1.322 3.039 243 2HE LYS 32 1HE LYS 32 7.173 1.074 1.861 244 1HZ LYS 32 1HZ LYS 32 9.828 -0.217 1.983 245 2HZ LYS 32 2HZ LYS 32 8.931 -0.195 0.549 246 3HZ LYS 32 3HZ LYS 32 8.300 -0.943 1.928 247 HA PRO 33 HA PRO 33 9.502 9.088 -0.077 248 1HB PRO 33 2HB PRO 33 7.585 9.365 2.138 249 2HB PRO 33 1HB PRO 33 7.500 10.002 0.494 250 1HG PRO 33 2HG PRO 33 5.910 7.999 1.322 251 2HG PRO 33 1HG PRO 33 6.520 8.086 -0.341 252 1HD PRO 33 2HD PRO 33 7.479 6.406 1.944 253 2HD PRO 33 1HD PRO 33 7.272 5.974 0.232 254 H GLU 34 H GLU 34 11.577 8.054 1.106 255 HA GLU 34 HA GLU 34 11.738 8.863 3.890 256 1HB GLU 34 2HB GLU 34 13.081 6.978 2.237 257 2HB GLU 34 1HB GLU 34 14.283 8.110 2.839 258 1HG GLU 34 2HG GLU 34 13.427 7.691 5.138 259 2HG GLU 34 1HG GLU 34 12.385 6.438 4.465 260 H ASN 35 H ASN 35 13.444 9.628 0.855 261 HA ASN 35 HA ASN 35 14.689 11.945 2.073 262 1HB ASN 35 2HB ASN 35 15.737 10.356 0.313 263 2HB ASN 35 1HB ASN 35 14.797 11.278 -0.857 264 1HD2 ASN 35 1HD2 ASN 35 15.660 13.062 -1.645 265 2HD2 ASN 35 2HD2 ASN 35 17.029 13.893 -0.998 266 H ASP 36 H ASP 36 12.296 11.275 -0.457 267 HA ASP 36 HA ASP 36 11.585 14.130 -0.458 268 1HB ASP 36 2HB ASP 36 11.179 11.974 -2.533 269 2HB ASP 36 1HB ASP 36 10.411 13.556 -2.629 270 HA PRO 37 HA PRO 37 8.071 12.425 1.892 271 1HB PRO 37 2HB PRO 37 7.505 15.283 2.327 272 2HB PRO 37 1HB PRO 37 7.766 13.999 3.510 273 1HG PRO 37 2HG PRO 37 9.590 15.924 3.093 274 2HG PRO 37 1HG PRO 37 10.060 14.258 3.484 275 1HD PRO 37 2HD PRO 37 10.036 15.650 0.831 276 2HD PRO 37 1HD PRO 37 11.245 14.538 1.509 277 H GLU 38 H GLU 38 6.529 11.721 0.517 278 HA GLU 38 HA GLU 38 4.682 13.663 -0.562 279 1HB GLU 38 2HB GLU 38 6.284 13.552 -2.368 280 2HB GLU 38 1HB GLU 38 6.239 11.796 -2.359 281 1HG GLU 38 2HG GLU 38 4.063 11.750 -3.258 282 2HG GLU 38 1HG GLU 38 3.817 13.468 -2.949 283 H TRP 39 H TRP 39 4.866 10.503 -2.004 284 HA TRP 39 HA TRP 39 3.038 9.307 -0.093 285 1HB TRP 39 2HB TRP 39 2.118 9.305 -2.943 286 2HB TRP 39 1HB TRP 39 1.176 9.095 -1.475 287 HD1 TRP 39 HD TRP 39 0.953 11.515 0.033 288 HE1 TRP 39 1HE TRP 39 0.464 13.868 -0.888 289 HE3 TRP 39 3HE TRP 39 2.315 10.779 -4.839 290 HZ2 TRP 39 2HZ TRP 39 0.632 15.230 -3.355 291 HZ3 TRP 39 3HZ TRP 39 2.117 12.657 -6.418 292 HH2 TRP 39 HH TRP 39 1.291 14.837 -5.688 293 H TRP 40 H TRP 40 2.608 6.989 -0.630 294 HA TRP 40 HA TRP 40 4.726 5.928 -2.364 295 1HB TRP 40 2HB TRP 40 5.019 4.030 -0.906 296 2HB TRP 40 1HB TRP 40 5.255 5.512 -0.005 297 HD1 TRP 40 HD TRP 40 1.667 4.287 -0.500 298 HE1 TRP 40 1HE TRP 40 0.762 3.434 1.746 299 HE3 TRP 40 3HE TRP 40 5.974 4.473 2.212 300 HZ2 TRP 40 2HZ TRP 40 1.763 2.894 4.327 301 HZ3 TRP 40 3HZ TRP 40 5.921 3.775 4.570 302 HH2 TRP 40 HH TRP 40 3.847 3.009 5.605 303 H LYS 41 H LYS 41 4.298 3.804 -3.309 304 HA LYS 41 HA LYS 41 1.466 3.197 -3.628 305 1HB LYS 41 2HB LYS 41 1.910 2.875 -6.118 306 2HB LYS 41 1HB LYS 41 1.711 4.513 -5.523 307 1HG LYS 41 2HG LYS 41 3.508 4.686 -6.933 308 2HG LYS 41 1HG LYS 41 4.279 4.523 -5.363 309 1HD LYS 41 2HD LYS 41 5.494 3.009 -6.580 310 2HD LYS 41 1HD LYS 41 4.207 1.981 -5.977 311 1HE LYS 41 2HE LYS 41 4.945 2.513 -8.668 312 2HE LYS 41 1HE LYS 41 3.731 1.393 -8.051 313 1HZ LYS 41 1HZ LYS 41 2.623 2.856 -9.502 314 2HZ LYS 41 2HZ LYS 41 3.365 4.227 -8.850 315 3HZ LYS 41 3HZ LYS 41 2.206 3.385 -7.952 316 H CYS 42 H CYS 42 0.947 1.100 -3.927 317 HA CYS 42 HA CYS 42 3.145 -0.802 -4.237 318 1HB CYS 42 2HB CYS 42 1.360 -2.099 -2.529 319 2HB CYS 42 1HB CYS 42 2.924 -1.439 -2.088 320 HG CYS 42 HG CYS 42 1.566 0.790 -1.414 321 H LYS 43 H LYS 43 2.393 -2.962 -4.922 322 HA LYS 43 HA LYS 43 0.202 -2.664 -6.815 323 1HB LYS 43 2HB LYS 43 2.323 -3.555 -7.626 324 2HB LYS 43 1HB LYS 43 2.222 -4.880 -6.476 325 1HG LYS 43 2HG LYS 43 -0.171 -4.825 -8.025 326 2HG LYS 43 1HG LYS 43 1.220 -4.769 -9.109 327 1HD LYS 43 2HD LYS 43 2.000 -6.670 -7.322 328 2HD LYS 43 1HD LYS 43 0.257 -6.938 -7.381 329 1HE LYS 43 2HE LYS 43 1.186 -8.321 -9.053 330 2HE LYS 43 1HE LYS 43 0.474 -6.949 -9.900 331 1HZ LYS 43 1HZ LYS 43 2.634 -7.433 -10.801 332 2HZ LYS 43 2HZ LYS 43 3.352 -7.330 -9.273 333 3HZ LYS 43 3HZ LYS 43 2.699 -5.947 -9.995 334 H ASN 44 H ASN 44 -1.558 -3.885 -6.967 335 HA ASN 44 HA ASN 44 -2.209 -5.607 -4.670 336 1HB ASN 44 2HB ASN 44 -3.542 -3.293 -5.617 337 2HB ASN 44 1HB ASN 44 -4.569 -4.663 -6.004 338 1HD2 ASN 44 1HD2 ASN 44 -2.776 -3.124 -3.396 339 2HD2 ASN 44 2HD2 ASN 44 -3.811 -3.660 -2.123 340 H ALA 45 H ALA 45 -4.156 -7.066 -5.294 341 HA ALA 45 HA ALA 45 -3.218 -8.752 -7.365 342 1HB ALA 45 1HB ALA 45 -5.044 -10.193 -6.815 343 2HB ALA 45 2HB ALA 45 -5.905 -8.880 -6.014 344 3HB ALA 45 3HB ALA 45 -4.419 -9.517 -5.311 345 H ARG 46 H ARG 46 -4.889 -5.916 -7.522 346 HA ARG 46 HA ARG 46 -6.667 -6.542 -9.706 347 1HB ARG 46 2HB ARG 46 -5.937 -4.123 -8.122 348 2HB ARG 46 1HB ARG 46 -6.653 -3.888 -9.707 349 1HG ARG 46 2HG ARG 46 -8.152 -3.903 -7.638 350 2HG ARG 46 1HG ARG 46 -8.683 -4.780 -9.069 351 1HD ARG 46 2HD ARG 46 -7.388 -6.748 -7.799 352 2HD ARG 46 1HD ARG 46 -7.845 -5.777 -6.408 353 HE ARG 46 HE ARG 46 -10.160 -5.957 -7.729 354 1HH1 ARG 46 1HH1 ARG 46 -7.820 -8.391 -6.837 355 2HH1 ARG 46 2HH1 ARG 46 -8.994 -9.659 -6.740 356 1HH2 ARG 46 1HH2 ARG 46 -11.701 -7.622 -7.604 357 2HH2 ARG 46 2HH2 ARG 46 -11.198 -9.224 -7.174 358 H GLY 47 H GLY 47 -3.368 -6.022 -9.401 359 1HA GLY 47 2HA GLY 47 -1.757 -5.876 -11.062 360 2HA GLY 47 1HA GLY 47 -3.044 -5.697 -12.249 361 H GLN 48 H GLN 48 -3.651 -3.567 -9.795 362 HA GLN 48 HA GLN 48 -2.258 -1.372 -11.172 363 1HB GLN 48 2HB GLN 48 -5.047 -1.708 -10.538 364 2HB GLN 48 1HB GLN 48 -4.408 -0.357 -9.660 365 1HG GLN 48 2HG GLN 48 -5.434 0.039 -11.978 366 2HG GLN 48 1HG GLN 48 -3.946 0.868 -11.522 367 1HE2 GLN 48 1HE2 GLN 48 -2.236 0.667 -12.812 368 2HE2 GLN 48 2HE2 GLN 48 -2.098 -0.440 -14.132 369 H VAL 49 H VAL 49 -0.681 -0.555 -9.947 370 HA VAL 49 HA VAL 49 -1.054 -0.622 -7.035 371 HB VAL 49 HB VAL 49 1.087 -1.367 -7.170 372 1HG1 VAL 49 1HG1 VAL 49 1.557 0.184 -9.671 373 2HG1 VAL 49 2HG1 VAL 49 1.047 -1.504 -9.593 374 3HG1 VAL 49 3HG1 VAL 49 2.620 -1.025 -8.951 375 1HG2 VAL 49 1HG2 VAL 49 1.785 1.500 -7.672 376 2HG2 VAL 49 2HG2 VAL 49 2.653 0.319 -6.693 377 3HG2 VAL 49 3HG2 VAL 49 1.097 0.942 -6.149 378 H GLY 50 H GLY 50 -1.610 1.182 -6.049 379 1HA GLY 50 2HA GLY 50 -1.128 3.710 -7.475 380 2HA GLY 50 1HA GLY 50 -2.659 3.361 -6.700 381 H LEU 51 H LEU 51 -1.790 5.537 -5.910 382 HA LEU 51 HA LEU 51 0.163 5.469 -3.847 383 1HB LEU 51 2HB LEU 51 -1.699 7.452 -5.014 384 2HB LEU 51 1HB LEU 51 -1.114 7.773 -3.396 385 HG LEU 51 HG LEU 51 1.000 8.216 -4.099 386 1HD1 LEU 51 1HD1 LEU 51 0.550 6.059 -6.068 387 2HD1 LEU 51 2HD1 LEU 51 1.890 6.317 -4.952 388 3HD1 LEU 51 3HD1 LEU 51 1.777 7.269 -6.432 389 1HD2 LEU 51 1HD2 LEU 51 0.673 9.866 -5.545 390 2HD2 LEU 51 2HD2 LEU 51 -0.968 9.256 -5.753 391 3HD2 LEU 51 3HD2 LEU 51 0.312 8.731 -6.846 392 H VAL 52 H VAL 52 -0.051 5.232 -1.714 393 HA VAL 52 HA VAL 52 -2.756 5.007 -0.588 394 HB VAL 52 HB VAL 52 -2.324 2.749 -0.657 395 1HG1 VAL 52 1HG1 VAL 52 0.357 2.368 0.200 396 2HG1 VAL 52 2HG1 VAL 52 0.346 3.561 -1.092 397 3HG1 VAL 52 3HG1 VAL 52 -0.378 1.983 -1.353 398 1HG2 VAL 52 1HG2 VAL 52 -2.696 3.212 1.667 399 2HG2 VAL 52 2HG2 VAL 52 -1.010 3.631 1.913 400 3HG2 VAL 52 3HG2 VAL 52 -1.458 1.970 1.549 401 HA PRO 53 HA PRO 53 -1.020 7.578 2.597 402 1HB PRO 53 2HB PRO 53 -3.045 7.576 4.302 403 2HB PRO 53 1HB PRO 53 -3.276 8.251 2.679 404 1HG PRO 53 2HG PRO 53 -3.912 5.473 3.648 405 2HG PRO 53 1HG PRO 53 -5.008 6.628 2.851 406 1HD PRO 53 2HD PRO 53 -3.739 4.703 1.471 407 2HD PRO 53 1HD PRO 53 -4.001 6.315 0.776 408 H LYS 54 H LYS 54 0.621 6.743 3.765 409 HA LYS 54 HA LYS 54 0.758 4.239 4.956 410 1HB LYS 54 2HB LYS 54 2.656 5.142 6.203 411 2HB LYS 54 1HB LYS 54 2.699 5.609 4.504 412 1HG LYS 54 2HG LYS 54 2.912 7.686 5.178 413 2HG LYS 54 1HG LYS 54 1.233 7.610 5.715 414 1HD LYS 54 2HD LYS 54 2.105 6.678 7.892 415 2HD LYS 54 1HD LYS 54 3.724 7.124 7.343 416 1HE LYS 54 2HE LYS 54 2.014 9.361 6.961 417 2HE LYS 54 1HE LYS 54 1.758 8.752 8.596 418 1HZ LYS 54 1HZ LYS 54 4.470 9.227 7.515 419 2HZ LYS 54 2HZ LYS 54 3.999 9.056 9.130 420 3HZ LYS 54 3HZ LYS 54 3.584 10.453 8.274 421 H ASN 55 H ASN 55 -0.981 6.956 5.931 422 HA ASN 55 HA ASN 55 -0.876 6.578 8.762 423 1HB ASN 55 2HB ASN 55 -1.517 8.701 7.416 424 2HB ASN 55 1HB ASN 55 -3.116 7.963 7.337 425 1HD2 ASN 55 1HD2 ASN 55 -1.171 10.000 9.059 426 2HD2 ASN 55 2HD2 ASN 55 -2.014 9.985 10.568 427 H TYR 56 H TYR 56 -2.343 4.839 6.335 428 HA TYR 56 HA TYR 56 -4.399 3.821 8.180 429 1HB TYR 56 2HB TYR 56 -4.432 3.756 5.158 430 2HB TYR 56 1HB TYR 56 -5.715 3.211 6.232 431 HD1 TYR 56 1HD TYR 56 -3.694 6.299 5.588 432 HD2 TYR 56 2HD TYR 56 -7.477 4.627 6.576 433 HE1 TYR 56 1HE TYR 56 -4.697 8.545 5.550 434 HE2 TYR 56 2HE TYR 56 -8.492 6.864 6.541 435 HH TYR 56 HH TYR 56 -8.102 9.051 5.654 436 H VAL 57 H VAL 57 -1.461 3.119 7.499 437 HA VAL 57 HA VAL 57 -1.905 0.239 7.544 438 HB VAL 57 HB VAL 57 -0.928 -0.328 5.581 439 1HG1 VAL 57 1HG1 VAL 57 -2.694 1.111 4.830 440 2HG1 VAL 57 2HG1 VAL 57 -1.302 1.336 3.770 441 3HG1 VAL 57 3HG1 VAL 57 -1.670 2.537 5.007 442 1HG2 VAL 57 1HG2 VAL 57 1.286 0.310 5.952 443 2HG2 VAL 57 2HG2 VAL 57 0.881 2.026 6.009 444 3HG2 VAL 57 3HG2 VAL 57 0.849 1.161 4.472 445 H VAL 58 H VAL 58 0.337 -0.882 7.623 446 HA VAL 58 HA VAL 58 2.275 0.673 9.173 447 HB VAL 58 HB VAL 58 0.918 -0.517 10.837 448 1HG1 VAL 58 1HG1 VAL 58 0.483 -2.425 9.068 449 2HG1 VAL 58 2HG1 VAL 58 0.424 -2.743 10.802 450 3HG1 VAL 58 3HG1 VAL 58 1.865 -3.164 9.877 451 1HG2 VAL 58 1HG2 VAL 58 2.764 -1.826 11.910 452 2HG2 VAL 58 2HG2 VAL 58 3.210 -0.195 11.409 453 3HG2 VAL 58 3HG2 VAL 58 3.707 -1.582 10.440 454 H VAL 59 H VAL 59 4.132 0.525 8.097 455 HA VAL 59 HA VAL 59 4.552 -1.299 6.008 456 HB VAL 59 HB VAL 59 6.699 0.274 7.415 457 1HG1 VAL 59 1HG1 VAL 59 7.133 0.084 4.642 458 2HG1 VAL 59 2HG1 VAL 59 6.697 -1.534 5.182 459 3HG1 VAL 59 3HG1 VAL 59 8.053 -0.695 5.931 460 1HG2 VAL 59 1HG2 VAL 59 4.530 1.080 5.573 461 2HG2 VAL 59 2HG2 VAL 59 6.133 1.741 5.251 462 3HG2 VAL 59 3HG2 VAL 59 5.367 2.009 6.816 463 H LEU 60 H LEU 60 5.892 -2.983 5.728 464 HA LEU 60 HA LEU 60 6.696 -4.449 8.105 465 1HB LEU 60 2HB LEU 60 5.337 -5.138 5.631 466 2HB LEU 60 1HB LEU 60 6.739 -6.148 5.894 467 HG LEU 60 HG LEU 60 5.813 -7.202 7.713 468 1HD1 LEU 60 1HD1 LEU 60 3.803 -6.161 8.944 469 2HD1 LEU 60 2HD1 LEU 60 4.300 -4.660 8.164 470 3HD1 LEU 60 3HD1 LEU 60 5.411 -5.502 9.244 471 1HD2 LEU 60 1HD2 LEU 60 3.378 -6.316 6.172 472 2HD2 LEU 60 2HD2 LEU 60 3.488 -7.731 7.221 473 3HD2 LEU 60 3HD2 LEU 60 4.441 -7.656 5.738 474 H SER 61 H SER 61 8.609 -5.785 7.761 475 HA SER 61 HA SER 61 10.539 -4.793 5.816 476 1HB SER 61 2HB SER 61 10.599 -3.720 8.298 477 2HB SER 61 1HB SER 61 11.628 -5.130 8.551 478 HG SER 61 HG SER 61 12.319 -2.858 7.469 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 15.838 -8.939 3.001 2 2H GLY 1 2HT GLY 1 15.067 -10.411 3.313 3 3H GLY 1 3HT GLY 1 14.149 -9.015 3.053 4 1HA GLY 1 1HA GLY 1 15.991 -9.910 0.953 5 2HA GLY 1 2HA GLY 1 14.464 -10.756 1.156 6 H SER 2 H SER 2 12.585 -9.032 1.549 7 HA SER 2 HA SER 2 12.892 -6.872 -0.425 8 1HB SER 2 2HB SER 2 11.457 -9.197 -0.914 9 2HB SER 2 1HB SER 2 10.212 -8.048 -0.412 10 HG SER 2 HG SER 2 10.456 -7.041 -2.236 11 H HIS 3 H HIS 3 11.638 -5.033 -0.073 12 HA HIS 3 HA HIS 3 10.801 -4.657 2.671 13 1HB HIS 3 2HB HIS 3 10.136 -2.490 0.815 14 2HB HIS 3 1HB HIS 3 11.076 -2.445 2.299 15 HD1 HIS 3 1HD HIS 3 13.643 -2.739 2.090 16 HD2 HIS 3 2HD HIS 3 11.621 -2.731 -1.541 17 HE1 HIS 3 1HE HIS 3 15.420 -2.464 0.332 18 HE2 HIS 3 2HE HIS 3 14.182 -2.553 -1.860 19 H VAL 4 H VAL 4 8.802 -5.037 3.374 20 HA VAL 4 HA VAL 4 6.615 -4.938 1.402 21 HB VAL 4 HB VAL 4 6.038 -6.723 3.609 22 1HG1 VAL 4 1HG1 VAL 4 4.728 -6.706 1.599 23 2HG1 VAL 4 2HG1 VAL 4 5.543 -8.266 1.711 24 3HG1 VAL 4 3HG1 VAL 4 6.153 -7.030 0.612 25 1HG2 VAL 4 1HG2 VAL 4 7.566 -8.550 2.808 26 2HG2 VAL 4 2HG2 VAL 4 8.350 -7.251 3.707 27 3HG2 VAL 4 3HG2 VAL 4 8.477 -7.309 1.949 28 H VAL 5 H VAL 5 4.441 -4.754 2.495 29 HA VAL 5 HA VAL 5 4.612 -3.175 4.945 30 HB VAL 5 HB VAL 5 4.307 -1.329 3.752 31 1HG1 VAL 5 1HG1 VAL 5 4.643 -1.563 1.603 32 2HG1 VAL 5 2HG1 VAL 5 2.900 -1.732 1.418 33 3HG1 VAL 5 3HG1 VAL 5 3.913 -3.162 1.578 34 1HG2 VAL 5 1HG2 VAL 5 2.002 -0.685 3.289 35 2HG2 VAL 5 2HG2 VAL 5 2.146 -1.513 4.840 36 3HG2 VAL 5 3HG2 VAL 5 1.503 -2.369 3.439 37 H GLN 6 H GLN 6 2.638 -2.935 6.100 38 HA GLN 6 HA GLN 6 0.767 -5.159 5.606 39 1HB GLN 6 2HB GLN 6 2.486 -5.129 7.661 40 2HB GLN 6 1HB GLN 6 1.197 -4.170 8.377 41 1HG GLN 6 2HG GLN 6 -0.351 -5.918 8.231 42 2HG GLN 6 1HG GLN 6 0.660 -6.829 7.112 43 1HE2 GLN 6 1HE2 GLN 6 0.087 -8.488 8.796 44 2HE2 GLN 6 2HE2 GLN 6 1.173 -8.655 10.129 45 H THR 7 H THR 7 -1.408 -4.721 5.772 46 HA THR 7 HA THR 7 -2.072 -1.904 6.345 47 HB THR 7 HB THR 7 -4.257 -2.794 5.033 48 HG1 THR 7 1HG THR 7 -2.059 -4.082 3.783 49 1HG2 THR 7 1HG2 THR 7 -3.616 -1.517 3.219 50 2HG2 THR 7 2HG2 THR 7 -1.909 -1.920 3.405 51 3HG2 THR 7 3HG2 THR 7 -2.685 -0.818 4.542 52 H LEU 8 H LEU 8 -4.091 -1.448 7.320 53 HA LEU 8 HA LEU 8 -5.236 -3.647 8.876 54 1HB LEU 8 2HB LEU 8 -5.495 -1.462 10.523 55 2HB LEU 8 1HB LEU 8 -4.375 -2.785 10.734 56 HG LEU 8 HG LEU 8 -3.253 -0.659 11.011 57 1HD1 LEU 8 1HD1 LEU 8 -2.136 -1.411 8.407 58 2HD1 LEU 8 2HD1 LEU 8 -2.326 -2.732 9.560 59 3HD1 LEU 8 3HD1 LEU 8 -1.370 -1.314 9.993 60 1HD2 LEU 8 1HD2 LEU 8 -3.262 1.070 9.509 61 2HD2 LEU 8 2HD2 LEU 8 -4.906 0.454 9.345 62 3HD2 LEU 8 3HD2 LEU 8 -3.681 0.027 8.154 63 H TYR 9 H TYR 9 -5.637 -0.367 7.612 64 HA TYR 9 HA TYR 9 -8.528 -0.524 7.983 65 1HB TYR 9 2HB TYR 9 -6.579 1.662 7.446 66 2HB TYR 9 1HB TYR 9 -8.217 1.871 6.834 67 HD1 TYR 9 1HD TYR 9 -6.294 2.955 9.335 68 HD2 TYR 9 2HD TYR 9 -9.933 0.804 8.857 69 HE1 TYR 9 1HE TYR 9 -7.024 3.706 11.560 70 HE2 TYR 9 2HE TYR 9 -10.673 1.550 11.080 71 HH TYR 9 HH TYR 9 -8.843 2.590 13.375 72 HA PRO 10 HA PRO 10 -9.763 -1.537 3.888 73 1HB PRO 10 2HB PRO 10 -11.194 1.068 3.716 74 2HB PRO 10 1HB PRO 10 -11.804 -0.570 3.463 75 1HG PRO 10 2HG PRO 10 -12.386 0.759 5.692 76 2HG PRO 10 1HG PRO 10 -12.032 -0.978 5.737 77 1HD PRO 10 2HD PRO 10 -10.305 1.330 6.522 78 2HD PRO 10 1HD PRO 10 -10.458 -0.272 7.271 79 H PHE 11 H PHE 11 -10.265 -0.105 1.661 80 HA PHE 11 HA PHE 11 -7.650 1.098 1.076 81 1HB PHE 11 2HB PHE 11 -8.199 0.628 -1.290 82 2HB PHE 11 1HB PHE 11 -8.224 -0.826 -0.299 83 HD1 PHE 11 1HD PHE 11 -10.207 1.500 -2.276 84 HD2 PHE 11 2HD PHE 11 -10.325 -1.933 0.236 85 HE1 PHE 11 1HE PHE 11 -12.491 1.016 -3.052 86 HE2 PHE 11 2HE PHE 11 -12.609 -2.423 -0.536 87 HZ PHE 11 HZ PHE 11 -13.695 -0.948 -2.181 88 H SER 12 H SER 12 -7.464 3.192 0.583 89 HA SER 12 HA SER 12 -9.883 4.671 -0.201 90 1HB SER 12 2HB SER 12 -9.266 5.055 2.216 91 2HB SER 12 1HB SER 12 -7.758 5.772 1.649 92 HG SER 12 HG SER 12 -8.834 7.539 1.357 93 H SER 13 H SER 13 -9.618 5.539 -2.141 94 HA SER 13 HA SER 13 -7.070 6.795 -2.815 95 1HB SER 13 2HB SER 13 -7.947 4.288 -3.920 96 2HB SER 13 1HB SER 13 -7.896 5.508 -5.193 97 HG SER 13 HG SER 13 -5.851 4.295 -3.863 98 H VAL 14 H VAL 14 -7.503 8.790 -3.451 99 HA VAL 14 HA VAL 14 -9.734 9.283 -5.259 100 HB VAL 14 HB VAL 14 -10.697 9.673 -3.061 101 1HG1 VAL 14 1HG1 VAL 14 -9.069 10.193 -1.566 102 2HG1 VAL 14 2HG1 VAL 14 -9.676 11.814 -1.903 103 3HG1 VAL 14 3HG1 VAL 14 -8.209 11.239 -2.695 104 1HG2 VAL 14 1HG2 VAL 14 -11.013 11.245 -5.158 105 2HG2 VAL 14 2HG2 VAL 14 -10.274 12.434 -4.086 106 3HG2 VAL 14 3HG2 VAL 14 -11.764 11.622 -3.607 107 H THR 15 H THR 15 -7.302 9.284 -6.220 108 HA THR 15 HA THR 15 -6.786 12.087 -6.785 109 HB THR 15 HB THR 15 -4.421 10.379 -6.090 110 HG1 THR 15 1HG THR 15 -5.718 10.360 -4.241 111 1HG2 THR 15 1HG2 THR 15 -3.644 12.325 -7.027 112 2HG2 THR 15 2HG2 THR 15 -3.647 12.725 -5.309 113 3HG2 THR 15 3HG2 THR 15 -4.949 13.300 -6.350 114 H GLU 16 H GLU 16 -4.973 12.228 -8.512 115 HA GLU 16 HA GLU 16 -5.774 10.548 -10.683 116 1HB GLU 16 2HB GLU 16 -5.283 12.549 -11.608 117 2HB GLU 16 1HB GLU 16 -4.189 12.990 -10.308 118 1HG GLU 16 2HG GLU 16 -3.017 12.903 -12.417 119 2HG GLU 16 1HG GLU 16 -2.429 11.644 -11.331 120 H GLU 17 H GLU 17 -3.010 10.736 -8.534 121 HA GLU 17 HA GLU 17 -1.676 8.576 -9.996 122 1HB GLU 17 2HB GLU 17 0.192 9.048 -8.317 123 2HB GLU 17 1HB GLU 17 -0.140 10.291 -9.515 124 1HG GLU 17 2HG GLU 17 -1.403 11.560 -7.873 125 2HG GLU 17 1HG GLU 17 -1.121 10.305 -6.670 126 H GLU 18 H GLU 18 -4.107 8.179 -8.417 127 HA GLU 18 HA GLU 18 -3.054 6.239 -6.457 128 1HB GLU 18 2HB GLU 18 -5.017 8.364 -6.148 129 2HB GLU 18 1HB GLU 18 -5.664 6.805 -5.674 130 1HG GLU 18 2HG GLU 18 -4.682 7.081 -3.718 131 2HG GLU 18 1HG GLU 18 -3.134 6.899 -4.539 132 H LEU 19 H LEU 19 -5.388 4.905 -5.882 133 HA LEU 19 HA LEU 19 -7.117 4.295 -7.957 134 1HB LEU 19 2HB LEU 19 -6.306 2.463 -9.085 135 2HB LEU 19 1HB LEU 19 -4.868 3.443 -8.916 136 HG LEU 19 HG LEU 19 -4.072 1.343 -8.445 137 1HD1 LEU 19 1HD1 LEU 19 -4.053 3.099 -6.419 138 2HD1 LEU 19 2HD1 LEU 19 -3.212 1.553 -6.413 139 3HD1 LEU 19 3HD1 LEU 19 -4.781 1.700 -5.635 140 1HD2 LEU 19 1HD2 LEU 19 -6.214 0.506 -6.566 141 2HD2 LEU 19 2HD2 LEU 19 -5.233 -0.454 -7.670 142 3HD2 LEU 19 3HD2 LEU 19 -6.578 0.497 -8.291 143 H ASN 20 H ASN 20 -8.634 2.687 -7.399 144 HA ASN 20 HA ASN 20 -8.516 2.006 -4.553 145 1HB ASN 20 2HB ASN 20 -11.015 1.532 -4.926 146 2HB ASN 20 1HB ASN 20 -10.480 3.209 -4.970 147 1HD2 ASN 20 1HD2 ASN 20 -12.040 0.712 -6.634 148 2HD2 ASN 20 2HD2 ASN 20 -12.261 1.525 -8.143 149 H PHE 21 H PHE 21 -7.944 0.053 -4.007 150 HA PHE 21 HA PHE 21 -8.887 -2.224 -5.599 151 1HB PHE 21 2HB PHE 21 -6.604 -3.309 -4.892 152 2HB PHE 21 1HB PHE 21 -6.694 -2.289 -6.321 153 HD1 PHE 21 1HD PHE 21 -4.422 -1.671 -6.393 154 HD2 PHE 21 2HD PHE 21 -6.686 -1.003 -2.860 155 HE1 PHE 21 1HE PHE 21 -2.610 -0.265 -5.503 156 HE2 PHE 21 2HE PHE 21 -4.884 0.403 -1.959 157 HZ PHE 21 HZ PHE 21 -2.840 0.776 -3.283 158 H GLU 22 H GLU 22 -8.819 -4.297 -4.348 159 HA GLU 22 HA GLU 22 -9.903 -3.838 -1.728 160 1HB GLU 22 2HB GLU 22 -10.206 -6.275 -1.664 161 2HB GLU 22 1HB GLU 22 -10.818 -5.592 -3.166 162 1HG GLU 22 2HG GLU 22 -9.477 -6.873 -4.368 163 2HG GLU 22 1HG GLU 22 -8.069 -6.315 -3.463 164 H LYS 23 H LYS 23 -8.378 -3.115 -0.352 165 HA LYS 23 HA LYS 23 -5.751 -4.205 -0.174 166 1HB LYS 23 2HB LYS 23 -7.150 -1.955 0.876 167 2HB LYS 23 1HB LYS 23 -6.425 -2.821 2.220 168 1HG LYS 23 2HG LYS 23 -5.029 -1.691 -0.192 169 2HG LYS 23 1HG LYS 23 -4.889 -1.156 1.483 170 1HD LYS 23 2HD LYS 23 -3.067 -2.463 1.545 171 2HD LYS 23 1HD LYS 23 -4.208 -3.802 1.670 172 1HE LYS 23 2HE LYS 23 -4.026 -3.222 -1.061 173 2HE LYS 23 1HE LYS 23 -2.375 -3.142 -0.452 174 1HZ LYS 23 1HZ LYS 23 -4.222 -5.427 -0.511 175 2HZ LYS 23 2HZ LYS 23 -3.027 -5.366 0.685 176 3HZ LYS 23 3HZ LYS 23 -2.591 -5.357 -0.949 177 H GLY 24 H GLY 24 -4.882 -5.575 1.338 178 1HA GLY 24 2HA GLY 24 -6.843 -7.048 2.980 179 2HA GLY 24 1HA GLY 24 -5.401 -7.770 2.275 180 H GLU 25 H GLU 25 -4.465 -8.455 4.158 181 HA GLU 25 HA GLU 25 -3.980 -6.518 6.265 182 1HB GLU 25 2HB GLU 25 -4.621 -9.190 6.338 183 2HB GLU 25 1HB GLU 25 -2.886 -9.204 6.637 184 1HG GLU 25 2HG GLU 25 -3.074 -8.052 8.604 185 2HG GLU 25 1HG GLU 25 -4.603 -7.308 8.140 186 H THR 26 H THR 26 -2.444 -7.882 3.604 187 HA THR 26 HA THR 26 0.114 -6.735 4.463 188 HB THR 26 HB THR 26 1.043 -8.777 3.012 189 HG1 THR 26 1HG THR 26 -0.767 -9.899 2.629 190 1HG2 THR 26 1HG2 THR 26 1.874 -8.398 5.199 191 2HG2 THR 26 2HG2 THR 26 1.328 -10.073 5.126 192 3HG2 THR 26 3HG2 THR 26 0.336 -8.856 5.929 193 H MET 27 H MET 27 1.117 -5.549 3.012 194 HA MET 27 HA MET 27 0.489 -5.805 0.168 195 1HB MET 27 2HB MET 27 -0.945 -4.002 1.114 196 2HB MET 27 1HB MET 27 0.507 -3.156 1.630 197 1HG MET 27 2HG MET 27 -0.444 -2.262 -0.447 198 2HG MET 27 1HG MET 27 1.201 -2.860 -0.652 199 1HE MET 27 1HE MET 27 -2.019 -3.533 -3.405 200 2HE MET 27 2HE MET 27 -0.562 -2.546 -3.512 201 3HE MET 27 3HE MET 27 -1.716 -2.275 -2.208 202 H GLU 28 H GLU 28 2.118 -4.560 -1.168 203 HA GLU 28 HA GLU 28 4.708 -4.407 0.247 204 1HB GLU 28 2HB GLU 28 5.674 -5.151 -2.028 205 2HB GLU 28 1HB GLU 28 4.925 -6.358 -1.000 206 1HG GLU 28 2HG GLU 28 3.057 -5.121 -2.851 207 2HG GLU 28 1HG GLU 28 4.390 -5.953 -3.651 208 H VAL 29 H VAL 29 5.392 -2.406 0.240 209 HA VAL 29 HA VAL 29 4.575 -0.578 -1.877 210 HB VAL 29 HB VAL 29 5.735 -0.164 0.868 211 1HG1 VAL 29 1HG1 VAL 29 5.483 1.856 -1.347 212 2HG1 VAL 29 2HG1 VAL 29 6.914 1.450 -0.397 213 3HG1 VAL 29 3HG1 VAL 29 5.567 2.301 0.359 214 1HG2 VAL 29 1HG2 VAL 29 3.166 -0.403 -0.005 215 2HG2 VAL 29 2HG2 VAL 29 3.391 1.345 -0.008 216 3HG2 VAL 29 3HG2 VAL 29 3.665 0.423 1.471 217 H ILE 30 H ILE 30 5.923 0.382 -3.262 218 HA ILE 30 HA ILE 30 8.594 -0.722 -3.520 219 HB ILE 30 HB ILE 30 8.492 1.021 -5.568 220 1HG1 ILE 30 2HG1 ILE 30 6.060 1.548 -4.652 221 2HG1 ILE 30 1HG1 ILE 30 6.390 1.499 -6.372 222 1HG2 ILE 30 1HG2 ILE 30 7.557 -0.913 -6.913 223 2HG2 ILE 30 2HG2 ILE 30 7.401 -1.767 -5.378 224 3HG2 ILE 30 3HG2 ILE 30 8.988 -1.238 -5.936 225 1HD1 ILE 30 1HD1 ILE 30 4.336 0.348 -5.882 226 2HD1 ILE 30 2HD1 ILE 30 5.165 -0.701 -4.737 227 3HD1 ILE 30 3HD1 ILE 30 5.542 -0.799 -6.456 228 H GLU 31 H GLU 31 7.563 2.621 -4.141 229 HA GLU 31 HA GLU 31 10.052 3.682 -3.285 230 1HB GLU 31 2HB GLU 31 8.477 4.715 -4.973 231 2HB GLU 31 1HB GLU 31 7.465 5.202 -3.621 232 1HG GLU 31 2HG GLU 31 10.242 5.981 -3.277 233 2HG GLU 31 1HG GLU 31 9.516 6.657 -4.734 234 H LYS 32 H LYS 32 10.727 4.015 -1.281 235 HA LYS 32 HA LYS 32 8.744 4.134 0.875 236 1HB LYS 32 2HB LYS 32 11.424 3.014 0.615 237 2HB LYS 32 1HB LYS 32 11.245 3.991 2.063 238 1HG LYS 32 2HG LYS 32 10.768 1.568 2.376 239 2HG LYS 32 1HG LYS 32 9.453 2.642 2.854 240 1HD LYS 32 2HD LYS 32 8.279 1.075 1.668 241 2HD LYS 32 1HD LYS 32 8.657 2.211 0.374 242 1HE LYS 32 2HE LYS 32 9.903 -0.446 0.979 243 2HE LYS 32 1HE LYS 32 9.186 0.126 -0.526 244 1HZ LYS 32 1HZ LYS 32 11.582 0.060 -0.691 245 2HZ LYS 32 2HZ LYS 32 11.742 1.071 0.655 246 3HZ LYS 32 3HZ LYS 32 11.047 1.665 -0.769 247 HA PRO 33 HA PRO 33 9.616 8.406 1.580 248 1HB PRO 33 2HB PRO 33 8.944 8.151 4.390 249 2HB PRO 33 1HB PRO 33 7.995 8.865 3.088 250 1HG PRO 33 2HG PRO 33 7.304 6.554 4.358 251 2HG PRO 33 1HG PRO 33 6.851 6.924 2.685 252 1HD PRO 33 2HD PRO 33 9.065 5.186 3.709 253 2HD PRO 33 1HD PRO 33 7.956 4.918 2.347 254 H GLU 34 H GLU 34 11.999 7.161 1.513 255 HA GLU 34 HA GLU 34 13.390 7.560 4.030 256 1HB GLU 34 2HB GLU 34 15.383 6.770 2.704 257 2HB GLU 34 1HB GLU 34 14.061 5.618 2.832 258 1HG GLU 34 2HG GLU 34 13.447 5.879 0.614 259 2HG GLU 34 1HG GLU 34 14.265 7.433 0.468 260 H ASN 35 H ASN 35 13.149 9.037 0.853 261 HA ASN 35 HA ASN 35 14.932 11.194 1.771 262 1HB ASN 35 2HB ASN 35 14.858 9.705 -0.679 263 2HB ASN 35 1HB ASN 35 14.523 11.398 -1.028 264 1HD2 ASN 35 1HD2 ASN 35 16.589 11.180 -2.180 265 2HD2 ASN 35 2HD2 ASN 35 18.051 11.444 -1.297 266 H ASP 36 H ASP 36 11.861 10.442 0.223 267 HA ASP 36 HA ASP 36 11.041 13.237 0.673 268 1HB ASP 36 2HB ASP 36 11.186 11.920 -1.781 269 2HB ASP 36 1HB ASP 36 9.474 11.884 -1.367 270 HA PRO 37 HA PRO 37 8.159 10.818 3.233 271 1HB PRO 37 2HB PRO 37 7.722 13.313 4.665 272 2HB PRO 37 1HB PRO 37 8.446 11.814 5.247 273 1HG PRO 37 2HG PRO 37 9.863 14.105 4.883 274 2HG PRO 37 1HG PRO 37 10.574 12.488 4.728 275 1HD PRO 37 2HD PRO 37 9.649 14.367 2.585 276 2HD PRO 37 1HD PRO 37 11.102 13.345 2.638 277 H GLU 38 H GLU 38 7.146 11.364 0.854 278 HA GLU 38 HA GLU 38 4.868 13.162 1.246 279 1HB GLU 38 2HB GLU 38 4.623 12.597 -1.329 280 2HB GLU 38 1HB GLU 38 5.739 13.824 -0.754 281 1HG GLU 38 2HG GLU 38 7.583 12.590 -1.250 282 2HG GLU 38 1HG GLU 38 6.754 11.052 -1.023 283 H TRP 39 H TRP 39 4.935 10.417 -0.975 284 HA TRP 39 HA TRP 39 3.117 8.884 0.689 285 1HB TRP 39 2HB TRP 39 2.197 9.554 -2.091 286 2HB TRP 39 1HB TRP 39 1.259 8.922 -0.745 287 HD1 TRP 39 HD TRP 39 0.586 10.723 1.206 288 HE1 TRP 39 1HE TRP 39 0.207 13.266 1.055 289 HE3 TRP 39 3HE TRP 39 2.933 11.632 -3.243 290 HZ2 TRP 39 2HZ TRP 39 0.823 15.376 -0.716 291 HZ3 TRP 39 3HZ TRP 39 2.993 13.940 -4.097 292 HH2 TRP 39 HH TRP 39 1.959 15.772 -2.859 293 H TRP 40 H TRP 40 2.828 6.708 -0.045 294 HA TRP 40 HA TRP 40 4.808 5.927 -2.075 295 1HB TRP 40 2HB TRP 40 5.020 3.771 -0.903 296 2HB TRP 40 1HB TRP 40 5.491 5.131 0.103 297 HD1 TRP 40 HD TRP 40 1.974 3.551 -0.418 298 HE1 TRP 40 1HE TRP 40 1.039 2.931 1.903 299 HE3 TRP 40 3HE TRP 40 5.966 4.926 2.440 300 HZ2 TRP 40 2HZ TRP 40 1.913 3.011 4.594 301 HZ3 TRP 40 3HZ TRP 40 5.846 4.625 4.876 302 HH2 TRP 40 HH TRP 40 3.855 3.687 5.931 303 H LYS 41 H LYS 41 4.287 3.661 -2.979 304 HA LYS 41 HA LYS 41 1.450 3.244 -3.381 305 1HB LYS 41 2HB LYS 41 1.891 3.039 -5.891 306 2HB LYS 41 1HB LYS 41 1.742 4.652 -5.209 307 1HG LYS 41 2HG LYS 41 3.552 4.832 -6.602 308 2HG LYS 41 1HG LYS 41 4.306 4.569 -5.039 309 1HD LYS 41 2HD LYS 41 5.485 3.078 -6.307 310 2HD LYS 41 1HD LYS 41 4.151 2.061 -5.793 311 1HE LYS 41 2HE LYS 41 4.963 2.739 -8.435 312 2HE LYS 41 1HE LYS 41 3.713 1.610 -7.910 313 1HZ LYS 41 1HZ LYS 41 3.419 4.498 -8.527 314 2HZ LYS 41 2HZ LYS 41 2.225 3.616 -7.717 315 3HZ LYS 41 3HZ LYS 41 2.669 3.188 -9.290 316 H CYS 42 H CYS 42 0.871 1.157 -3.783 317 HA CYS 42 HA CYS 42 3.049 -0.772 -4.134 318 1HB CYS 42 2HB CYS 42 1.207 -2.136 -2.572 319 2HB CYS 42 1HB CYS 42 2.725 -1.459 -2.002 320 HG CYS 42 HG CYS 42 1.164 -0.354 -0.424 321 H LYS 43 H LYS 43 2.342 -2.851 -5.001 322 HA LYS 43 HA LYS 43 0.163 -2.484 -6.903 323 1HB LYS 43 2HB LYS 43 1.061 -4.674 -7.837 324 2HB LYS 43 1HB LYS 43 2.126 -3.278 -7.936 325 1HG LYS 43 2HG LYS 43 2.435 -4.906 -5.512 326 2HG LYS 43 1HG LYS 43 2.867 -5.710 -7.021 327 1HD LYS 43 2HD LYS 43 4.058 -3.304 -7.371 328 2HD LYS 43 1HD LYS 43 4.177 -3.477 -5.619 329 1HE LYS 43 2HE LYS 43 5.668 -5.158 -5.759 330 2HE LYS 43 1HE LYS 43 4.874 -5.882 -7.157 331 1HZ LYS 43 1HZ LYS 43 5.857 -3.719 -8.290 332 2HZ LYS 43 2HZ LYS 43 6.753 -5.148 -8.152 333 3HZ LYS 43 3HZ LYS 43 6.999 -3.886 -7.052 334 H ASN 44 H ASN 44 -1.600 -3.754 -7.103 335 HA ASN 44 HA ASN 44 -2.109 -5.630 -4.887 336 1HB ASN 44 2HB ASN 44 -3.392 -3.318 -5.086 337 2HB ASN 44 1HB ASN 44 -4.371 -4.232 -6.229 338 1HD2 ASN 44 1HD2 ASN 44 -5.861 -5.608 -5.476 339 2HD2 ASN 44 2HD2 ASN 44 -6.115 -5.971 -3.807 340 H ALA 45 H ALA 45 -4.081 -7.048 -5.480 341 HA ALA 45 HA ALA 45 -3.277 -8.646 -7.629 342 1HB ALA 45 1HB ALA 45 -6.053 -9.031 -6.836 343 2HB ALA 45 2HB ALA 45 -4.944 -8.949 -5.467 344 3HB ALA 45 3HB ALA 45 -4.684 -10.139 -6.742 345 H ARG 46 H ARG 46 -5.029 -5.770 -7.641 346 HA ARG 46 HA ARG 46 -6.624 -6.354 -9.982 347 1HB ARG 46 2HB ARG 46 -6.043 -3.643 -8.793 348 2HB ARG 46 1HB ARG 46 -7.404 -4.093 -9.805 349 1HG ARG 46 2HG ARG 46 -6.903 -4.758 -6.926 350 2HG ARG 46 1HG ARG 46 -8.264 -3.895 -7.639 351 1HD ARG 46 2HD ARG 46 -9.388 -5.808 -7.707 352 2HD ARG 46 1HD ARG 46 -8.216 -6.417 -8.874 353 HE ARG 46 HE ARG 46 -7.003 -6.865 -6.503 354 1HH1 ARG 46 1HH1 ARG 46 -10.171 -7.645 -7.743 355 2HH1 ARG 46 2HH1 ARG 46 -10.330 -9.078 -6.785 356 1HH2 ARG 46 1HH2 ARG 46 -7.212 -8.751 -5.240 357 2HH2 ARG 46 2HH2 ARG 46 -8.651 -9.708 -5.364 358 H GLY 47 H GLY 47 -3.411 -5.927 -9.536 359 1HA GLY 47 2HA GLY 47 -1.694 -5.512 -11.003 360 2HA GLY 47 1HA GLY 47 -2.897 -5.376 -12.278 361 H GLN 48 H GLN 48 -3.671 -3.322 -9.749 362 HA GLN 48 HA GLN 48 -2.362 -1.056 -11.084 363 1HB GLN 48 2HB GLN 48 -4.424 0.174 -9.979 364 2HB GLN 48 1HB GLN 48 -4.530 -0.584 -11.555 365 1HG GLN 48 2HG GLN 48 -5.517 -2.572 -10.536 366 2HG GLN 48 1HG GLN 48 -5.430 -1.792 -8.958 367 1HE2 GLN 48 1HE2 GLN 48 -7.734 -2.150 -8.893 368 2HE2 GLN 48 2HE2 GLN 48 -8.794 -1.036 -9.678 369 H VAL 49 H VAL 49 -0.834 -0.206 -9.903 370 HA VAL 49 HA VAL 49 -1.170 -0.212 -6.984 371 HB VAL 49 HB VAL 49 0.909 -1.140 -7.186 372 1HG1 VAL 49 1HG1 VAL 49 2.538 -0.603 -8.923 373 2HG1 VAL 49 2HG1 VAL 49 1.349 0.483 -9.644 374 3HG1 VAL 49 3HG1 VAL 49 1.017 -1.246 -9.542 375 1HG2 VAL 49 1HG2 VAL 49 2.567 0.417 -6.590 376 2HG2 VAL 49 2HG2 VAL 49 1.045 1.100 -6.023 377 3HG2 VAL 49 3HG2 VAL 49 1.785 1.705 -7.503 378 H GLY 50 H GLY 50 -1.400 1.636 -5.956 379 1HA GLY 50 2HA GLY 50 -0.760 4.119 -7.368 380 2HA GLY 50 1HA GLY 50 -2.385 3.885 -6.743 381 H LEU 51 H LEU 51 -1.677 5.909 -5.660 382 HA LEU 51 HA LEU 51 0.166 5.635 -3.495 383 1HB LEU 51 2HB LEU 51 -1.443 7.766 -4.730 384 2HB LEU 51 1HB LEU 51 -1.076 7.976 -3.033 385 HG LEU 51 HG LEU 51 1.172 8.249 -3.410 386 1HD1 LEU 51 1HD1 LEU 51 2.105 7.524 -5.777 387 2HD1 LEU 51 2HD1 LEU 51 0.767 6.383 -5.664 388 3HD1 LEU 51 3HD1 LEU 51 2.013 6.406 -4.417 389 1HD2 LEU 51 1HD2 LEU 51 1.328 9.975 -4.858 390 2HD2 LEU 51 2HD2 LEU 51 -0.428 9.802 -4.859 391 3HD2 LEU 51 3HD2 LEU 51 0.529 9.091 -6.159 392 H VAL 52 H VAL 52 -0.373 4.426 -1.841 393 HA VAL 52 HA VAL 52 -3.124 4.323 -0.886 394 HB VAL 52 HB VAL 52 -2.141 2.174 -1.030 395 1HG1 VAL 52 1HG1 VAL 52 0.235 3.502 0.164 396 2HG1 VAL 52 2HG1 VAL 52 0.125 2.485 -1.271 397 3HG1 VAL 52 3HG1 VAL 52 0.035 1.761 0.336 398 1HG2 VAL 52 1HG2 VAL 52 -2.333 3.206 1.771 399 2HG2 VAL 52 2HG2 VAL 52 -1.702 1.584 1.500 400 3HG2 VAL 52 3HG2 VAL 52 -3.316 2.004 0.936 401 HA PRO 53 HA PRO 53 -2.644 7.148 2.515 402 1HB PRO 53 2HB PRO 53 -4.199 5.884 4.349 403 2HB PRO 53 1HB PRO 53 -4.891 6.722 2.950 404 1HG PRO 53 2HG PRO 53 -4.125 3.811 3.177 405 2HG PRO 53 1HG PRO 53 -5.733 4.485 2.767 406 1HD PRO 53 2HD PRO 53 -4.189 3.756 0.804 407 2HD PRO 53 1HD PRO 53 -4.891 5.389 0.720 408 H LYS 54 H LYS 54 -0.374 6.616 2.842 409 HA LYS 54 HA LYS 54 0.630 4.424 4.149 410 1HB LYS 54 2HB LYS 54 2.487 5.976 4.870 411 2HB LYS 54 1HB LYS 54 2.140 5.876 3.147 412 1HG LYS 54 2HG LYS 54 2.037 8.069 3.155 413 2HG LYS 54 1HG LYS 54 0.513 7.921 4.019 414 1HD LYS 54 2HD LYS 54 1.613 8.121 6.135 415 2HD LYS 54 1HD LYS 54 3.204 8.053 5.371 416 1HE LYS 54 2HE LYS 54 1.622 10.161 4.215 417 2HE LYS 54 1HE LYS 54 1.687 10.335 5.968 418 1HZ LYS 54 1HZ LYS 54 3.517 11.433 4.637 419 2HZ LYS 54 2HZ LYS 54 4.121 9.879 4.349 420 3HZ LYS 54 3HZ LYS 54 4.009 10.462 5.933 421 H ASN 55 H ASN 55 -1.147 7.063 5.476 422 HA ASN 55 HA ASN 55 -0.343 6.569 8.205 423 1HB ASN 55 2HB ASN 55 -1.366 8.754 6.924 424 2HB ASN 55 1HB ASN 55 -2.794 8.124 7.738 425 1HD2 ASN 55 1HD2 ASN 55 -2.149 10.479 8.569 426 2HD2 ASN 55 2HD2 ASN 55 -1.323 10.461 10.086 427 H TYR 56 H TYR 56 -2.384 5.047 6.072 428 HA TYR 56 HA TYR 56 -4.195 4.125 8.203 429 1HB TYR 56 2HB TYR 56 -4.496 3.990 5.195 430 2HB TYR 56 1HB TYR 56 -5.639 3.315 6.347 431 HD1 TYR 56 1HD TYR 56 -6.683 5.093 4.393 432 HD2 TYR 56 2HD TYR 56 -4.773 6.056 8.069 433 HE1 TYR 56 1HE TYR 56 -7.891 7.233 4.452 434 HE2 TYR 56 2HE TYR 56 -5.977 8.200 8.142 435 HH TYR 56 HH TYR 56 -8.003 9.208 7.224 436 H VAL 57 H VAL 57 -1.369 3.260 7.466 437 HA VAL 57 HA VAL 57 -1.923 0.401 7.588 438 HB VAL 57 HB VAL 57 -0.918 -0.261 5.650 439 1HG1 VAL 57 1HG1 VAL 57 -1.599 2.554 4.817 440 2HG1 VAL 57 2HG1 VAL 57 -2.778 1.262 5.029 441 3HG1 VAL 57 3HG1 VAL 57 -1.534 1.126 3.786 442 1HG2 VAL 57 1HG2 VAL 57 1.277 0.427 5.860 443 2HG2 VAL 57 2HG2 VAL 57 0.839 2.130 6.003 444 3HG2 VAL 57 3HG2 VAL 57 0.753 1.327 4.434 445 H VAL 58 H VAL 58 0.290 -0.798 7.647 446 HA VAL 58 HA VAL 58 2.271 0.729 9.183 447 HB VAL 58 HB VAL 58 0.990 -0.453 10.864 448 1HG1 VAL 58 1HG1 VAL 58 0.114 -2.489 10.627 449 2HG1 VAL 58 2HG1 VAL 58 1.629 -3.170 10.038 450 3HG1 VAL 58 3HG1 VAL 58 0.543 -2.339 8.924 451 1HG2 VAL 58 1HG2 VAL 58 2.736 -1.701 11.937 452 2HG2 VAL 58 2HG2 VAL 58 3.466 -0.342 11.081 453 3HG2 VAL 58 3HG2 VAL 58 3.555 -1.966 10.398 454 H VAL 59 H VAL 59 4.073 0.634 8.013 455 HA VAL 59 HA VAL 59 4.481 -1.204 5.934 456 HB VAL 59 HB VAL 59 6.638 0.445 7.229 457 1HG1 VAL 59 1HG1 VAL 59 7.314 0.335 4.665 458 2HG1 VAL 59 2HG1 VAL 59 6.383 -1.159 4.738 459 3HG1 VAL 59 3HG1 VAL 59 7.772 -0.936 5.800 460 1HG2 VAL 59 1HG2 VAL 59 5.362 1.415 4.766 461 2HG2 VAL 59 2HG2 VAL 59 5.891 2.302 6.195 462 3HG2 VAL 59 3HG2 VAL 59 4.338 1.468 6.201 463 H LEU 60 H LEU 60 5.900 -2.816 5.615 464 HA LEU 60 HA LEU 60 6.785 -4.262 7.977 465 1HB LEU 60 2HB LEU 60 5.375 -5.042 5.625 466 2HB LEU 60 1HB LEU 60 6.935 -5.843 5.613 467 HG LEU 60 HG LEU 60 6.493 -6.927 7.692 468 1HD1 LEU 60 1HD1 LEU 60 5.401 -5.653 9.186 469 2HD1 LEU 60 2HD1 LEU 60 3.967 -6.435 8.520 470 3HD1 LEU 60 3HD1 LEU 60 4.445 -4.837 7.948 471 1HD2 LEU 60 1HD2 LEU 60 5.177 -7.505 5.423 472 2HD2 LEU 60 2HD2 LEU 60 3.810 -7.250 6.508 473 3HD2 LEU 60 3HD2 LEU 60 5.033 -8.458 6.901 474 H SER 61 H SER 61 8.775 -5.494 7.632 475 HA SER 61 HA SER 61 10.645 -4.888 5.619 476 1HB SER 61 2HB SER 61 12.245 -3.555 6.996 477 2HB SER 61 1HB SER 61 10.748 -2.692 6.641 478 HG SER 61 HG SER 61 10.023 -3.214 8.728 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 14.732 -9.218 3.357 2 2H GLY 1 2HT GLY 1 15.275 -7.667 2.956 3 3H GLY 1 3HT GLY 1 16.374 -8.948 3.051 4 1HA GLY 1 1HA GLY 1 16.129 -8.889 0.810 5 2HA GLY 1 2HA GLY 1 14.829 -9.992 1.234 6 H SER 2 H SER 2 12.735 -9.409 0.872 7 HA SER 2 HA SER 2 12.338 -7.043 -0.769 8 1HB SER 2 2HB SER 2 11.045 -9.621 -0.480 9 2HB SER 2 1HB SER 2 9.855 -8.314 -0.405 10 HG SER 2 HG SER 2 10.987 -9.315 -2.549 11 H HIS 3 H HIS 3 11.488 -5.189 -0.063 12 HA HIS 3 HA HIS 3 10.641 -4.992 2.696 13 1HB HIS 3 2HB HIS 3 10.073 -2.540 1.749 14 2HB HIS 3 1HB HIS 3 11.679 -3.016 2.272 15 HD1 HIS 3 1HD HIS 3 13.342 -2.101 0.694 16 HD2 HIS 3 2HD HIS 3 9.901 -3.366 -1.261 17 HE1 HIS 3 1HE HIS 3 13.773 -1.699 -1.751 18 HE2 HIS 3 2HE HIS 3 11.708 -2.545 -2.921 19 H VAL 4 H VAL 4 8.627 -5.185 3.382 20 HA VAL 4 HA VAL 4 6.465 -4.828 1.409 21 HB VAL 4 HB VAL 4 5.801 -6.760 3.480 22 1HG1 VAL 4 1HG1 VAL 4 5.908 -7.268 0.529 23 2HG1 VAL 4 2HG1 VAL 4 4.693 -6.188 1.213 24 3HG1 VAL 4 3HG1 VAL 4 4.761 -7.875 1.722 25 1HG2 VAL 4 1HG2 VAL 4 8.056 -7.470 3.448 26 2HG2 VAL 4 2HG2 VAL 4 8.151 -7.326 1.692 27 3HG2 VAL 4 3HG2 VAL 4 7.171 -8.598 2.421 28 H VAL 5 H VAL 5 4.297 -4.589 2.514 29 HA VAL 5 HA VAL 5 4.588 -3.248 5.091 30 HB VAL 5 HB VAL 5 4.377 -1.295 4.114 31 1HG1 VAL 5 1HG1 VAL 5 4.785 -1.351 1.964 32 2HG1 VAL 5 2HG1 VAL 5 3.042 -1.324 1.725 33 3HG1 VAL 5 3HG1 VAL 5 3.903 -2.857 1.743 34 1HG2 VAL 5 1HG2 VAL 5 2.071 -0.535 3.539 35 2HG2 VAL 5 2HG2 VAL 5 2.245 -1.291 5.123 36 3HG2 VAL 5 3HG2 VAL 5 1.538 -2.198 3.787 37 H GLN 6 H GLN 6 2.851 -3.216 6.422 38 HA GLN 6 HA GLN 6 0.844 -5.290 5.835 39 1HB GLN 6 2HB GLN 6 2.435 -5.523 7.811 40 2HB GLN 6 1HB GLN 6 1.579 -4.176 8.541 41 1HG GLN 6 2HG GLN 6 0.164 -5.631 9.408 42 2HG GLN 6 1HG GLN 6 -0.409 -5.963 7.777 43 1HE2 GLN 6 1HE2 GLN 6 1.852 -7.226 6.758 44 2HE2 GLN 6 2HE2 GLN 6 2.043 -8.747 7.554 45 H THR 7 H THR 7 -1.364 -4.841 6.023 46 HA THR 7 HA THR 7 -1.953 -1.992 6.506 47 HB THR 7 HB THR 7 -4.106 -2.694 5.167 48 HG1 THR 7 1HG THR 7 -3.733 -4.792 4.751 49 1HG2 THR 7 1HG2 THR 7 -2.821 -0.978 4.258 50 2HG2 THR 7 2HG2 THR 7 -2.817 -2.221 3.007 51 3HG2 THR 7 3HG2 THR 7 -1.413 -2.016 4.053 52 H LEU 8 H LEU 8 -3.921 -1.423 7.452 53 HA LEU 8 HA LEU 8 -5.217 -3.511 9.042 54 1HB LEU 8 2HB LEU 8 -5.372 -1.286 10.638 55 2HB LEU 8 1HB LEU 8 -4.312 -2.650 10.884 56 HG LEU 8 HG LEU 8 -3.091 -0.582 11.129 57 1HD1 LEU 8 1HD1 LEU 8 -2.013 -1.396 8.528 58 2HD1 LEU 8 2HD1 LEU 8 -2.256 -2.702 9.690 59 3HD1 LEU 8 3HD1 LEU 8 -1.242 -1.322 10.112 60 1HD2 LEU 8 1HD2 LEU 8 -2.986 1.117 9.572 61 2HD2 LEU 8 2HD2 LEU 8 -4.680 0.628 9.507 62 3HD2 LEU 8 3HD2 LEU 8 -3.557 0.085 8.265 63 H TYR 9 H TYR 9 -5.397 -0.252 7.675 64 HA TYR 9 HA TYR 9 -8.332 -0.478 7.685 65 1HB TYR 9 2HB TYR 9 -6.523 1.804 8.264 66 2HB TYR 9 1HB TYR 9 -7.980 2.169 7.347 67 HD1 TYR 9 1HD TYR 9 -6.897 2.678 10.389 68 HD2 TYR 9 2HD TYR 9 -9.936 0.337 8.547 69 HE1 TYR 9 1HE TYR 9 -8.193 2.727 12.478 70 HE2 TYR 9 2HE TYR 9 -11.240 0.381 10.631 71 HH TYR 9 HH TYR 9 -10.932 0.726 12.991 72 HA PRO 10 HA PRO 10 -8.263 -0.470 3.270 73 1HB PRO 10 2HB PRO 10 -10.694 1.205 3.348 74 2HB PRO 10 1HB PRO 10 -10.460 -0.405 2.663 75 1HG PRO 10 2HG PRO 10 -11.855 -0.042 4.916 76 2HG PRO 10 1HG PRO 10 -10.822 -1.465 4.685 77 1HD PRO 10 2HD PRO 10 -10.305 1.020 6.274 78 2HD PRO 10 1HD PRO 10 -9.927 -0.670 6.667 79 H PHE 11 H PHE 11 -8.179 0.915 1.396 80 HA PHE 11 HA PHE 11 -7.426 3.686 2.042 81 1HB PHE 11 2HB PHE 11 -6.018 3.438 -0.156 82 2HB PHE 11 1HB PHE 11 -5.388 2.833 1.369 83 HD1 PHE 11 1HD PHE 11 -3.899 1.221 0.504 84 HD2 PHE 11 2HD PHE 11 -7.990 1.158 -0.644 85 HE1 PHE 11 1HE PHE 11 -3.576 -0.993 -0.512 86 HE2 PHE 11 2HE PHE 11 -7.676 -1.050 -1.652 87 HZ PHE 11 HZ PHE 11 -5.469 -2.135 -1.593 88 H SER 12 H SER 12 -7.898 5.301 0.450 89 HA SER 12 HA SER 12 -10.016 4.499 -1.445 90 1HB SER 12 2HB SER 12 -10.168 6.289 0.805 91 2HB SER 12 1HB SER 12 -10.466 7.188 -0.684 92 HG SER 12 HG SER 12 -12.386 6.355 -0.586 93 H SER 13 H SER 13 -9.931 5.308 -3.450 94 HA SER 13 HA SER 13 -7.532 6.686 -4.266 95 1HB SER 13 2HB SER 13 -9.175 4.842 -5.473 96 2HB SER 13 1HB SER 13 -9.645 6.342 -6.274 97 HG SER 13 HG SER 13 -7.937 5.428 -7.390 98 H VAL 14 H VAL 14 -7.657 8.575 -5.742 99 HA VAL 14 HA VAL 14 -9.915 10.249 -5.857 100 HB VAL 14 HB VAL 14 -9.724 10.757 -3.587 101 1HG1 VAL 14 1HG1 VAL 14 -7.572 9.647 -3.239 102 2HG1 VAL 14 2HG1 VAL 14 -7.648 11.216 -2.436 103 3HG1 VAL 14 3HG1 VAL 14 -6.750 11.038 -3.944 104 1HG2 VAL 14 1HG2 VAL 14 -9.248 13.055 -3.508 105 2HG2 VAL 14 2HG2 VAL 14 -9.706 12.751 -5.183 106 3HG2 VAL 14 3HG2 VAL 14 -8.005 12.929 -4.753 107 H THR 15 H THR 15 -6.388 10.137 -5.742 108 HA THR 15 HA THR 15 -6.203 12.232 -7.769 109 HB THR 15 HB THR 15 -3.822 10.815 -6.634 110 HG1 THR 15 1HG THR 15 -3.907 12.207 -4.845 111 1HG2 THR 15 1HG2 THR 15 -4.399 13.510 -7.745 112 2HG2 THR 15 2HG2 THR 15 -3.048 12.421 -8.059 113 3HG2 THR 15 3HG2 THR 15 -3.115 13.330 -6.549 114 H GLU 16 H GLU 16 -4.406 11.814 -9.470 115 HA GLU 16 HA GLU 16 -5.279 9.695 -11.117 116 1HB GLU 16 2HB GLU 16 -4.410 11.217 -12.525 117 2HB GLU 16 1HB GLU 16 -3.388 11.911 -11.278 118 1HG GLU 16 2HG GLU 16 -2.039 11.102 -13.096 119 2HG GLU 16 1HG GLU 16 -1.743 10.133 -11.654 120 H GLU 17 H GLU 17 -2.512 10.061 -8.964 121 HA GLU 17 HA GLU 17 -1.402 7.501 -9.747 122 1HB GLU 17 2HB GLU 17 -0.505 9.035 -7.331 123 2HB GLU 17 1HB GLU 17 0.435 8.008 -8.405 124 1HG GLU 17 2HG GLU 17 0.015 9.779 -10.189 125 2HG GLU 17 1HG GLU 17 -0.519 10.812 -8.864 126 H GLU 18 H GLU 18 -3.922 8.426 -7.835 127 HA GLU 18 HA GLU 18 -3.564 6.638 -5.620 128 1HB GLU 18 2HB GLU 18 -5.392 8.700 -6.423 129 2HB GLU 18 1HB GLU 18 -6.283 7.288 -5.893 130 1HG GLU 18 2HG GLU 18 -5.741 9.059 -4.153 131 2HG GLU 18 1HG GLU 18 -5.407 7.378 -3.744 132 H LEU 19 H LEU 19 -5.396 5.015 -5.160 133 HA LEU 19 HA LEU 19 -6.620 3.809 -7.466 134 1HB LEU 19 2HB LEU 19 -4.061 2.885 -6.566 135 2HB LEU 19 1HB LEU 19 -5.253 1.629 -6.328 136 HG LEU 19 HG LEU 19 -5.901 2.240 -8.801 137 1HD1 LEU 19 1HD1 LEU 19 -3.579 3.803 -8.430 138 2HD1 LEU 19 2HD1 LEU 19 -4.545 3.595 -9.887 139 3HD1 LEU 19 3HD1 LEU 19 -3.193 2.510 -9.563 140 1HD2 LEU 19 1HD2 LEU 19 -5.189 0.057 -7.992 141 2HD2 LEU 19 2HD2 LEU 19 -3.506 0.576 -8.080 142 3HD2 LEU 19 3HD2 LEU 19 -4.463 0.431 -9.553 143 H ASN 20 H ASN 20 -8.031 2.070 -6.967 144 HA ASN 20 HA ASN 20 -8.589 1.641 -4.129 145 1HB ASN 20 2HB ASN 20 -10.213 3.277 -4.557 146 2HB ASN 20 1HB ASN 20 -10.522 2.689 -6.182 147 1HD2 ASN 20 1HD2 ASN 20 -10.674 1.540 -2.829 148 2HD2 ASN 20 2HD2 ASN 20 -12.189 0.726 -2.997 149 H PHE 21 H PHE 21 -8.038 -0.395 -4.026 150 HA PHE 21 HA PHE 21 -9.432 -2.339 -5.724 151 1HB PHE 21 2HB PHE 21 -7.143 -3.708 -5.292 152 2HB PHE 21 1HB PHE 21 -7.450 -2.758 -6.731 153 HD1 PHE 21 1HD PHE 21 -5.254 -2.244 -7.328 154 HD2 PHE 21 2HD PHE 21 -6.615 -1.391 -3.394 155 HE1 PHE 21 1HE PHE 21 -3.208 -0.947 -6.905 156 HE2 PHE 21 2HE PHE 21 -4.574 -0.077 -2.971 157 HZ PHE 21 HZ PHE 21 -2.868 0.141 -4.727 158 H GLU 22 H GLU 22 -9.383 -4.596 -4.709 159 HA GLU 22 HA GLU 22 -10.450 -4.411 -2.113 160 1HB GLU 22 2HB GLU 22 -9.492 -6.750 -3.744 161 2HB GLU 22 1HB GLU 22 -10.163 -6.956 -2.134 162 1HG GLU 22 2HG GLU 22 -12.035 -7.279 -3.378 163 2HG GLU 22 1HG GLU 22 -12.135 -5.536 -3.137 164 H LYS 23 H LYS 23 -9.246 -3.641 -0.557 165 HA LYS 23 HA LYS 23 -6.472 -4.151 -0.209 166 1HB LYS 23 2HB LYS 23 -7.021 -2.103 0.643 167 2HB LYS 23 1HB LYS 23 -8.585 -2.635 1.224 168 1HG LYS 23 2HG LYS 23 -7.404 -2.186 3.165 169 2HG LYS 23 1HG LYS 23 -7.250 -3.932 3.008 170 1HD LYS 23 2HD LYS 23 -5.112 -3.047 3.598 171 2HD LYS 23 1HD LYS 23 -5.024 -3.556 1.911 172 1HE LYS 23 2HE LYS 23 -4.070 -1.493 1.717 173 2HE LYS 23 1HE LYS 23 -5.759 -1.035 1.517 174 1HZ LYS 23 1HZ LYS 23 -5.796 0.034 3.470 175 2HZ LYS 23 2HZ LYS 23 -4.119 0.106 3.271 176 3HZ LYS 23 3HZ LYS 23 -4.803 -1.091 4.250 177 H GLY 24 H GLY 24 -5.399 -5.342 1.264 178 1HA GLY 24 2HA GLY 24 -6.978 -7.309 2.799 179 2HA GLY 24 1HA GLY 24 -5.440 -7.698 2.033 180 H GLU 25 H GLU 25 -4.748 -8.340 4.206 181 HA GLU 25 HA GLU 25 -4.286 -6.152 6.067 182 1HB GLU 25 2HB GLU 25 -3.810 -9.122 6.381 183 2HB GLU 25 1HB GLU 25 -3.586 -7.915 7.639 184 1HG GLU 25 2HG GLU 25 -6.131 -7.401 6.979 185 2HG GLU 25 1HG GLU 25 -6.059 -9.115 6.575 186 H THR 26 H THR 26 -2.820 -7.012 3.399 187 HA THR 26 HA THR 26 -0.209 -6.237 4.364 188 HB THR 26 HB THR 26 0.579 -8.325 2.829 189 HG1 THR 26 1HG THR 26 -0.873 -9.817 2.808 190 1HG2 THR 26 1HG2 THR 26 0.159 -8.228 5.794 191 2HG2 THR 26 2HG2 THR 26 1.647 -7.953 4.889 192 3HG2 THR 26 3HG2 THR 26 0.958 -9.574 4.984 193 H MET 27 H MET 27 0.862 -5.088 2.941 194 HA MET 27 HA MET 27 0.291 -5.301 0.090 195 1HB MET 27 2HB MET 27 -0.392 -3.147 -0.221 196 2HB MET 27 1HB MET 27 -0.969 -3.348 1.426 197 1HG MET 27 2HG MET 27 1.491 -2.458 1.942 198 2HG MET 27 1HG MET 27 1.245 -1.704 0.371 199 1HE MET 27 1HE MET 27 -1.648 -1.486 0.227 200 2HE MET 27 2HE MET 27 -1.240 0.226 0.135 201 3HE MET 27 3HE MET 27 -2.443 -0.333 1.296 202 H GLU 28 H GLU 28 2.031 -4.094 -1.191 203 HA GLU 28 HA GLU 28 4.551 -4.065 0.352 204 1HB GLU 28 2HB GLU 28 5.667 -4.915 -1.728 205 2HB GLU 28 1HB GLU 28 4.581 -6.051 -0.951 206 1HG GLU 28 2HG GLU 28 2.860 -5.578 -2.593 207 2HG GLU 28 1HG GLU 28 3.908 -4.388 -3.361 208 H VAL 29 H VAL 29 5.249 -2.086 0.437 209 HA VAL 29 HA VAL 29 4.620 -0.182 -1.660 210 HB VAL 29 HB VAL 29 5.722 0.094 1.122 211 1HG1 VAL 29 1HG1 VAL 29 6.978 1.749 0.112 212 2HG1 VAL 29 2HG1 VAL 29 5.520 2.619 0.589 213 3HG1 VAL 29 3HG1 VAL 29 5.733 2.105 -1.084 214 1HG2 VAL 29 1HG2 VAL 29 3.168 -0.032 0.207 215 2HG2 VAL 29 2HG2 VAL 29 3.449 1.709 0.236 216 3HG2 VAL 29 3HG2 VAL 29 3.665 0.756 1.704 217 H ILE 30 H ILE 30 6.026 0.660 -3.028 218 HA ILE 30 HA ILE 30 8.771 -0.382 -2.993 219 HB ILE 30 HB ILE 30 8.657 0.661 -5.426 220 1HG1 ILE 30 2HG1 ILE 30 6.173 1.345 -4.683 221 2HG1 ILE 30 1HG1 ILE 30 6.585 0.988 -6.344 222 1HG2 ILE 30 1HG2 ILE 30 7.757 -1.590 -6.204 223 2HG2 ILE 30 2HG2 ILE 30 7.575 -1.978 -4.494 224 3HG2 ILE 30 3HG2 ILE 30 9.170 -1.608 -5.149 225 1HD1 ILE 30 1HD1 ILE 30 5.782 -1.321 -6.000 226 2HD1 ILE 30 2HD1 ILE 30 4.536 -0.094 -5.786 227 3HD1 ILE 30 3HD1 ILE 30 5.271 -0.856 -4.378 228 H GLU 31 H GLU 31 6.912 2.608 -3.392 229 HA GLU 31 HA GLU 31 9.356 4.191 -3.403 230 1HB GLU 31 2HB GLU 31 7.509 4.774 -4.940 231 2HB GLU 31 1HB GLU 31 6.467 5.073 -3.556 232 1HG GLU 31 2HG GLU 31 8.400 6.732 -2.889 233 2HG GLU 31 1HG GLU 31 8.719 6.686 -4.623 234 H LYS 32 H LYS 32 10.268 4.480 -1.468 235 HA LYS 32 HA LYS 32 8.608 4.753 0.903 236 1HB LYS 32 2HB LYS 32 11.592 4.873 0.967 237 2HB LYS 32 1HB LYS 32 10.476 4.201 2.140 238 1HG LYS 32 2HG LYS 32 11.326 2.992 -0.473 239 2HG LYS 32 1HG LYS 32 11.660 2.397 1.153 240 1HD LYS 32 2HD LYS 32 8.936 2.576 -0.136 241 2HD LYS 32 1HD LYS 32 9.886 1.105 0.064 242 1HE LYS 32 2HE LYS 32 9.100 2.825 2.396 243 2HE LYS 32 1HE LYS 32 8.042 1.561 1.771 244 1HZ LYS 32 1HZ LYS 32 10.366 0.250 2.024 245 2HZ LYS 32 2HZ LYS 32 9.159 0.278 3.210 246 3HZ LYS 32 3HZ LYS 32 10.475 1.336 3.318 247 HA PRO 33 HA PRO 33 8.864 9.231 0.422 248 1HB PRO 33 2HB PRO 33 7.723 9.138 3.158 249 2HB PRO 33 1HB PRO 33 7.132 9.978 1.721 250 1HG PRO 33 2HG PRO 33 5.911 7.785 2.627 251 2HG PRO 33 1HG PRO 33 6.077 8.090 0.888 252 1HD PRO 33 2HD PRO 33 7.629 6.233 2.645 253 2HD PRO 33 1HD PRO 33 7.054 5.996 0.981 254 H GLU 34 H GLU 34 11.141 9.357 0.561 255 HA GLU 34 HA GLU 34 12.427 9.213 3.147 256 1HB GLU 34 2HB GLU 34 13.241 9.022 0.427 257 2HB GLU 34 1HB GLU 34 14.145 10.337 1.165 258 1HG GLU 34 2HG GLU 34 15.167 8.945 2.704 259 2HG GLU 34 1HG GLU 34 13.937 7.693 2.537 260 H ASN 35 H ASN 35 11.966 11.738 0.669 261 HA ASN 35 HA ASN 35 12.404 13.744 2.783 262 1HB ASN 35 2HB ASN 35 12.834 15.261 0.690 263 2HB ASN 35 1HB ASN 35 14.104 14.193 1.278 264 1HD2 ASN 35 1HD2 ASN 35 15.062 12.982 -0.177 265 2HD2 ASN 35 2HD2 ASN 35 14.417 12.532 -1.716 266 H ASP 36 H ASP 36 10.296 12.666 0.224 267 HA ASP 36 HA ASP 36 8.514 14.951 0.673 268 1HB ASP 36 2HB ASP 36 8.599 12.850 -1.494 269 2HB ASP 36 1HB ASP 36 7.292 14.019 -1.335 270 HA PRO 37 HA PRO 37 6.293 11.889 3.195 271 1HB PRO 37 2HB PRO 37 5.056 13.646 4.802 272 2HB PRO 37 1HB PRO 37 6.766 13.246 5.009 273 1HG PRO 37 2HG PRO 37 5.524 15.628 3.686 274 2HG PRO 37 1HG PRO 37 6.912 15.557 4.787 275 1HD PRO 37 2HD PRO 37 7.139 15.730 2.064 276 2HD PRO 37 1HD PRO 37 8.366 14.990 3.110 277 H GLU 38 H GLU 38 5.305 12.089 0.737 278 HA GLU 38 HA GLU 38 2.607 13.203 0.936 279 1HB GLU 38 2HB GLU 38 2.634 12.411 -1.589 280 2HB GLU 38 1HB GLU 38 3.379 13.922 -1.093 281 1HG GLU 38 2HG GLU 38 5.507 13.140 -1.398 282 2HG GLU 38 1HG GLU 38 5.045 11.459 -1.134 283 H TRP 39 H TRP 39 3.322 10.476 -1.153 284 HA TRP 39 HA TRP 39 2.055 8.589 0.648 285 1HB TRP 39 2HB TRP 39 0.823 9.218 -2.042 286 2HB TRP 39 1HB TRP 39 0.270 7.993 -0.906 287 HD1 TRP 39 HD TRP 39 -0.902 8.907 1.383 288 HE1 TRP 39 1HE TRP 39 -2.179 11.093 1.843 289 HE3 TRP 39 3HE TRP 39 0.704 11.644 -2.625 290 HZ2 TRP 39 2HZ TRP 39 -2.468 13.642 0.664 291 HZ3 TRP 39 3HZ TRP 39 -0.120 13.948 -2.887 292 HH2 TRP 39 HH TRP 39 -1.674 14.924 -1.276 293 H TRP 40 H TRP 40 2.293 6.404 -0.004 294 HA TRP 40 HA TRP 40 4.384 6.034 -2.035 295 1HB TRP 40 2HB TRP 40 4.670 3.769 -0.871 296 2HB TRP 40 1HB TRP 40 5.217 5.196 -0.003 297 HD1 TRP 40 HD TRP 40 1.517 4.238 -0.067 298 HE1 TRP 40 1HE TRP 40 0.790 3.559 2.311 299 HE3 TRP 40 3HE TRP 40 6.082 4.291 2.201 300 HZ2 TRP 40 2HZ TRP 40 2.020 3.117 4.817 301 HZ3 TRP 40 3HZ TRP 40 6.226 3.739 4.591 302 HH2 TRP 40 HH TRP 40 4.228 3.168 5.871 303 H LYS 41 H LYS 41 4.265 3.752 -3.076 304 HA LYS 41 HA LYS 41 1.490 3.064 -3.676 305 1HB LYS 41 2HB LYS 41 2.165 2.750 -6.081 306 2HB LYS 41 1HB LYS 41 2.006 4.406 -5.523 307 1HG LYS 41 2HG LYS 41 3.944 4.498 -6.706 308 2HG LYS 41 1HG LYS 41 4.560 4.207 -5.087 309 1HD LYS 41 2HD LYS 41 5.702 2.564 -6.091 310 2HD LYS 41 1HD LYS 41 4.180 1.683 -5.979 311 1HE LYS 41 2HE LYS 41 5.612 2.666 -8.318 312 2HE LYS 41 1HE LYS 41 4.423 1.372 -8.167 313 1HZ LYS 41 1HZ LYS 41 3.306 2.866 -9.470 314 2HZ LYS 41 2HZ LYS 41 4.011 4.224 -8.747 315 3HZ LYS 41 3HZ LYS 41 2.787 3.379 -7.943 316 H CYS 42 H CYS 42 1.007 0.996 -3.940 317 HA CYS 42 HA CYS 42 3.228 -0.923 -3.982 318 1HB CYS 42 2HB CYS 42 1.616 -2.435 -2.649 319 2HB CYS 42 1HB CYS 42 2.425 -1.147 -1.766 320 HG CYS 42 HG CYS 42 -0.423 -1.511 -1.677 321 H LYS 43 H LYS 43 2.745 -2.910 -5.098 322 HA LYS 43 HA LYS 43 0.730 -2.528 -7.167 323 1HB LYS 43 2HB LYS 43 1.806 -4.563 -8.188 324 2HB LYS 43 1HB LYS 43 2.873 -3.177 -8.002 325 1HG LYS 43 2HG LYS 43 3.932 -4.158 -6.099 326 2HG LYS 43 1HG LYS 43 2.751 -5.469 -6.057 327 1HD LYS 43 2HD LYS 43 4.638 -6.414 -7.075 328 2HD LYS 43 1HD LYS 43 3.562 -6.031 -8.418 329 1HE LYS 43 2HE LYS 43 5.687 -4.118 -7.504 330 2HE LYS 43 1HE LYS 43 6.041 -5.414 -8.647 331 1HZ LYS 43 1HZ LYS 43 5.441 -3.882 -10.150 332 2HZ LYS 43 2HZ LYS 43 4.563 -2.955 -9.039 333 3HZ LYS 43 3HZ LYS 43 3.859 -4.323 -9.742 334 H ASN 44 H ASN 44 -1.127 -3.598 -7.282 335 HA ASN 44 HA ASN 44 -1.639 -5.670 -5.263 336 1HB ASN 44 2HB ASN 44 -2.995 -3.395 -5.512 337 2HB ASN 44 1HB ASN 44 -3.850 -4.315 -6.744 338 1HD2 ASN 44 1HD2 ASN 44 -3.335 -3.831 -3.395 339 2HD2 ASN 44 2HD2 ASN 44 -4.482 -4.988 -2.821 340 H ALA 45 H ALA 45 -3.518 -7.147 -6.030 341 HA ALA 45 HA ALA 45 -2.538 -8.454 -8.381 342 1HB ALA 45 1HB ALA 45 -3.580 -10.293 -7.606 343 2HB ALA 45 2HB ALA 45 -5.067 -9.418 -7.239 344 3HB ALA 45 3HB ALA 45 -3.710 -9.361 -6.114 345 H ARG 46 H ARG 46 -4.399 -5.824 -8.109 346 HA ARG 46 HA ARG 46 -6.448 -6.514 -10.012 347 1HB ARG 46 2HB ARG 46 -7.470 -4.914 -8.845 348 2HB ARG 46 1HB ARG 46 -5.960 -4.394 -8.117 349 1HG ARG 46 2HG ARG 46 -5.549 -2.857 -9.810 350 2HG ARG 46 1HG ARG 46 -6.766 -3.550 -10.877 351 1HD ARG 46 2HD ARG 46 -7.132 -1.859 -8.430 352 2HD ARG 46 1HD ARG 46 -7.774 -1.613 -10.051 353 HE ARG 46 HE ARG 46 -8.902 -3.251 -7.961 354 1HH1 ARG 46 1HH1 ARG 46 -8.822 -2.596 -11.388 355 2HH1 ARG 46 2HH1 ARG 46 -10.378 -3.296 -11.684 356 1HH2 ARG 46 1HH2 ARG 46 -10.945 -4.173 -8.349 357 2HH2 ARG 46 2HH2 ARG 46 -11.583 -4.191 -9.959 358 H GLY 47 H GLY 47 -3.215 -5.804 -10.229 359 1HA GLY 47 2HA GLY 47 -2.060 -5.800 -12.283 360 2HA GLY 47 1HA GLY 47 -3.508 -5.200 -13.072 361 H GLN 48 H GLN 48 -3.815 -3.070 -11.003 362 HA GLN 48 HA GLN 48 -1.669 -1.302 -11.979 363 1HB GLN 48 2HB GLN 48 -4.588 -0.975 -11.867 364 2HB GLN 48 1HB GLN 48 -3.673 0.400 -11.279 365 1HG GLN 48 2HG GLN 48 -3.506 -0.865 -13.999 366 2HG GLN 48 1HG GLN 48 -4.137 0.730 -13.592 367 1HE2 GLN 48 1HE2 GLN 48 -1.364 -1.130 -14.318 368 2HE2 GLN 48 2HE2 GLN 48 -0.202 0.145 -14.225 369 H VAL 49 H VAL 49 -0.612 0.011 -10.571 370 HA VAL 49 HA VAL 49 -1.294 -0.316 -7.725 371 HB VAL 49 HB VAL 49 0.889 -0.147 -7.138 372 1HG1 VAL 49 1HG1 VAL 49 0.692 -1.873 -9.024 373 2HG1 VAL 49 2HG1 VAL 49 2.294 -1.374 -8.481 374 3HG1 VAL 49 3HG1 VAL 49 1.620 -0.709 -9.968 375 1HG2 VAL 49 1HG2 VAL 49 2.563 1.202 -8.494 376 2HG2 VAL 49 2HG2 VAL 49 1.288 2.090 -7.661 377 3HG2 VAL 49 3HG2 VAL 49 1.170 1.796 -9.396 378 H GLY 50 H GLY 50 -1.454 1.485 -6.396 379 1HA GLY 50 2HA GLY 50 -1.378 4.100 -7.735 380 2HA GLY 50 1HA GLY 50 -2.763 3.643 -6.770 381 H LEU 51 H LEU 51 -2.297 5.531 -5.501 382 HA LEU 51 HA LEU 51 0.043 5.221 -3.762 383 1HB LEU 51 2HB LEU 51 -1.365 7.521 -4.882 384 2HB LEU 51 1HB LEU 51 -1.030 7.685 -3.169 385 HG LEU 51 HG LEU 51 1.270 7.731 -3.481 386 1HD1 LEU 51 1HD1 LEU 51 1.970 7.108 -6.054 387 2HD1 LEU 51 2HD1 LEU 51 0.713 5.925 -5.693 388 3HD1 LEU 51 3HD1 LEU 51 2.131 6.052 -4.652 389 1HD2 LEU 51 1HD2 LEU 51 1.322 8.945 -5.976 390 2HD2 LEU 51 2HD2 LEU 51 1.088 9.736 -4.418 391 3HD2 LEU 51 3HD2 LEU 51 -0.309 9.238 -5.372 392 H VAL 52 H VAL 52 -0.244 4.437 -1.828 393 HA VAL 52 HA VAL 52 -2.926 4.459 -0.652 394 HB VAL 52 HB VAL 52 -2.203 2.243 -0.679 395 1HG1 VAL 52 1HG1 VAL 52 -0.090 1.540 -0.768 396 2HG1 VAL 52 2HG1 VAL 52 0.372 2.442 0.669 397 3HG1 VAL 52 3HG1 VAL 52 0.342 3.237 -0.900 398 1HG2 VAL 52 1HG2 VAL 52 -1.674 3.455 2.021 399 2HG2 VAL 52 2HG2 VAL 52 -1.509 1.723 1.750 400 3HG2 VAL 52 3HG2 VAL 52 -3.058 2.513 1.474 401 HA PRO 53 HA PRO 53 -1.740 7.422 2.442 402 1HB PRO 53 2HB PRO 53 -3.652 6.918 4.258 403 2HB PRO 53 1HB PRO 53 -4.056 7.636 2.688 404 1HG PRO 53 2HG PRO 53 -4.116 4.733 3.485 405 2HG PRO 53 1HG PRO 53 -5.437 5.703 2.780 406 1HD PRO 53 2HD PRO 53 -3.939 4.157 1.231 407 2HD PRO 53 1HD PRO 53 -4.390 5.786 0.686 408 H LYS 54 H LYS 54 0.186 6.803 3.326 409 HA LYS 54 HA LYS 54 0.790 4.451 4.627 410 1HB LYS 54 2HB LYS 54 2.647 5.764 5.670 411 2HB LYS 54 1HB LYS 54 2.524 5.867 3.916 412 1HG LYS 54 2HG LYS 54 2.554 8.050 4.139 413 2HG LYS 54 1HG LYS 54 0.933 7.934 4.820 414 1HD LYS 54 2HD LYS 54 1.846 7.773 7.054 415 2HD LYS 54 1HD LYS 54 3.493 7.783 6.415 416 1HE LYS 54 2HE LYS 54 2.515 10.045 5.305 417 2HE LYS 54 1HE LYS 54 1.593 10.001 6.807 418 1HZ LYS 54 1HZ LYS 54 3.402 11.019 7.623 419 2HZ LYS 54 2HZ LYS 54 4.419 10.476 6.385 420 3HZ LYS 54 3HZ LYS 54 4.057 9.460 7.688 421 H ASN 55 H ASN 55 -0.998 7.137 5.795 422 HA ASN 55 HA ASN 55 -0.551 6.663 8.584 423 1HB ASN 55 2HB ASN 55 -1.507 8.777 7.178 424 2HB ASN 55 1HB ASN 55 -3.008 8.076 7.773 425 1HD2 ASN 55 1HD2 ASN 55 -3.643 9.244 9.435 426 2HD2 ASN 55 2HD2 ASN 55 -2.656 9.738 10.765 427 H TYR 56 H TYR 56 -2.340 5.059 6.255 428 HA TYR 56 HA TYR 56 -4.250 4.034 8.250 429 1HB TYR 56 2HB TYR 56 -4.394 3.866 5.233 430 2HB TYR 56 1HB TYR 56 -5.614 3.295 6.359 431 HD1 TYR 56 1HD TYR 56 -4.779 6.076 8.007 432 HD2 TYR 56 2HD TYR 56 -6.449 5.021 4.242 433 HE1 TYR 56 1HE TYR 56 -5.909 8.255 7.906 434 HE2 TYR 56 2HE TYR 56 -7.584 7.198 4.127 435 HH TYR 56 HH TYR 56 -8.276 9.037 6.434 436 H VAL 57 H VAL 57 -1.344 3.268 7.583 437 HA VAL 57 HA VAL 57 -1.839 0.394 7.631 438 HB VAL 57 HB VAL 57 -0.819 -0.194 5.683 439 1HG1 VAL 57 1HG1 VAL 57 -1.540 2.654 4.991 440 2HG1 VAL 57 2HG1 VAL 57 -2.665 1.299 5.044 441 3HG1 VAL 57 3HG1 VAL 57 -1.363 1.317 3.855 442 1HG2 VAL 57 1HG2 VAL 57 1.373 0.479 5.934 443 2HG2 VAL 57 2HG2 VAL 57 0.938 2.174 6.152 444 3HG2 VAL 57 3HG2 VAL 57 0.866 1.444 4.547 445 H VAL 58 H VAL 58 0.383 -0.778 7.688 446 HA VAL 58 HA VAL 58 2.363 0.709 9.252 447 HB VAL 58 HB VAL 58 0.988 -0.439 10.919 448 1HG1 VAL 58 1HG1 VAL 58 1.759 -3.155 10.198 449 2HG1 VAL 58 2HG1 VAL 58 0.677 -2.400 9.028 450 3HG1 VAL 58 3HG1 VAL 58 0.201 -2.518 10.721 451 1HG2 VAL 58 1HG2 VAL 58 2.745 -1.117 12.175 452 2HG2 VAL 58 2HG2 VAL 58 3.662 -0.418 10.840 453 3HG2 VAL 58 3HG2 VAL 58 3.392 -2.160 10.907 454 H VAL 59 H VAL 59 4.248 0.484 8.246 455 HA VAL 59 HA VAL 59 4.631 -1.281 6.102 456 HB VAL 59 HB VAL 59 6.834 0.144 7.578 457 1HG1 VAL 59 1HG1 VAL 59 6.640 -0.641 4.671 458 2HG1 VAL 59 2HG1 VAL 59 7.425 -1.641 5.895 459 3HG1 VAL 59 3HG1 VAL 59 8.054 -0.036 5.535 460 1HG2 VAL 59 1HG2 VAL 59 4.625 1.340 6.485 461 2HG2 VAL 59 2HG2 VAL 59 5.772 1.366 5.146 462 3HG2 VAL 59 3HG2 VAL 59 6.202 2.101 6.690 463 H LEU 60 H LEU 60 5.943 -2.958 5.748 464 HA LEU 60 HA LEU 60 6.686 -4.588 8.047 465 1HB LEU 60 2HB LEU 60 5.162 -5.152 5.713 466 2HB LEU 60 1HB LEU 60 6.657 -6.058 5.594 467 HG LEU 60 HG LEU 60 6.200 -7.283 7.566 468 1HD1 LEU 60 1HD1 LEU 60 4.357 -5.044 8.148 469 2HD1 LEU 60 2HD1 LEU 60 5.406 -5.963 9.227 470 3HD1 LEU 60 3HD1 LEU 60 3.868 -6.646 8.701 471 1HD2 LEU 60 1HD2 LEU 60 4.956 -8.077 5.663 472 2HD2 LEU 60 2HD2 LEU 60 3.658 -6.927 5.984 473 3HD2 LEU 60 3HD2 LEU 60 3.966 -8.248 7.112 474 H SER 61 H SER 61 8.559 -5.969 7.616 475 HA SER 61 HA SER 61 10.454 -5.369 5.602 476 1HB SER 61 2HB SER 61 12.188 -4.363 7.096 477 2HB SER 61 1HB SER 61 10.789 -3.318 6.846 478 HG SER 61 HG SER 61 11.717 -4.489 9.143 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 16.750 -6.839 2.193 2 2H GLY 1 2HT GLY 1 16.853 -8.240 3.134 3 3H GLY 1 3HT GLY 1 15.607 -7.129 3.406 4 1HA GLY 1 1HA GLY 1 15.971 -8.889 1.048 5 2HA GLY 1 2HA GLY 1 14.675 -8.957 2.233 6 H SER 2 H SER 2 12.820 -8.197 1.496 7 HA SER 2 HA SER 2 12.885 -6.031 -0.502 8 1HB SER 2 2HB SER 2 11.661 -8.556 -0.645 9 2HB SER 2 1HB SER 2 10.341 -7.415 -0.374 10 HG SER 2 HG SER 2 11.240 -6.190 -2.154 11 H HIS 3 H HIS 3 11.559 -4.266 -0.245 12 HA HIS 3 HA HIS 3 10.651 -3.768 2.454 13 1HB HIS 3 2HB HIS 3 9.789 -1.591 1.055 14 2HB HIS 3 1HB HIS 3 11.375 -1.740 1.795 15 HD1 HIS 3 1HD HIS 3 9.926 -2.890 -1.543 16 HD2 HIS 3 2HD HIS 3 13.217 -0.892 0.020 17 HE1 HIS 3 1HE HIS 3 11.369 -2.322 -3.522 18 HE2 HIS 3 2HE HIS 3 13.299 -1.017 -2.562 19 H VAL 4 H VAL 4 8.682 -4.156 3.180 20 HA VAL 4 HA VAL 4 6.477 -4.270 1.235 21 HB VAL 4 HB VAL 4 5.970 -6.009 3.466 22 1HG1 VAL 4 1HG1 VAL 4 5.448 -7.598 1.751 23 2HG1 VAL 4 2HG1 VAL 4 6.381 -6.693 0.561 24 3HG1 VAL 4 3HG1 VAL 4 4.892 -6.012 1.215 25 1HG2 VAL 4 1HG2 VAL 4 8.375 -6.274 3.640 26 2HG2 VAL 4 2HG2 VAL 4 8.481 -6.628 1.915 27 3HG2 VAL 4 3HG2 VAL 4 7.647 -7.745 2.994 28 H VAL 5 H VAL 5 4.319 -4.157 2.328 29 HA VAL 5 HA VAL 5 4.373 -2.601 4.796 30 HB VAL 5 HB VAL 5 4.025 -0.741 3.639 31 1HG1 VAL 5 1HG1 VAL 5 2.650 -1.165 1.272 32 2HG1 VAL 5 2HG1 VAL 5 3.741 -2.538 1.422 33 3HG1 VAL 5 3HG1 VAL 5 4.375 -0.903 1.486 34 1HG2 VAL 5 1HG2 VAL 5 1.710 -0.158 3.147 35 2HG2 VAL 5 2HG2 VAL 5 1.861 -0.988 4.697 36 3HG2 VAL 5 3HG2 VAL 5 1.250 -1.856 3.287 37 H GLN 6 H GLN 6 2.319 -2.507 5.904 38 HA GLN 6 HA GLN 6 0.564 -4.766 5.196 39 1HB GLN 6 2HB GLN 6 2.371 -4.867 7.237 40 2HB GLN 6 1HB GLN 6 0.938 -4.280 8.074 41 1HG GLN 6 2HG GLN 6 -0.282 -6.194 7.613 42 2HG GLN 6 1HG GLN 6 0.770 -6.661 6.279 43 1HE2 GLN 6 1HE2 GLN 6 2.135 -8.244 6.681 44 2HE2 GLN 6 2HE2 GLN 6 2.714 -8.720 8.238 45 H THR 7 H THR 7 -1.602 -4.565 5.665 46 HA THR 7 HA THR 7 -2.435 -1.923 6.661 47 HB THR 7 HB THR 7 -4.585 -2.946 5.227 48 HG1 THR 7 1HG THR 7 -3.565 -3.355 3.172 49 1HG2 THR 7 1HG2 THR 7 -2.499 -0.934 4.440 50 2HG2 THR 7 2HG2 THR 7 -4.077 -0.633 5.167 51 3HG2 THR 7 3HG2 THR 7 -3.968 -1.240 3.515 52 H LEU 8 H LEU 8 -4.691 -1.915 7.514 53 HA LEU 8 HA LEU 8 -5.274 -4.387 8.986 54 1HB LEU 8 2HB LEU 8 -6.048 -2.362 10.694 55 2HB LEU 8 1HB LEU 8 -4.644 -3.386 10.874 56 HG LEU 8 HG LEU 8 -4.118 -1.016 11.178 57 1HD1 LEU 8 1HD1 LEU 8 -2.741 -1.506 8.638 58 2HD1 LEU 8 2HD1 LEU 8 -2.668 -2.836 9.792 59 3HD1 LEU 8 3HD1 LEU 8 -2.090 -1.235 10.254 60 1HD2 LEU 8 1HD2 LEU 8 -5.753 -0.733 8.853 61 2HD2 LEU 8 2HD2 LEU 8 -4.161 -0.044 8.540 62 3HD2 LEU 8 3HD2 LEU 8 -5.107 0.510 9.922 63 H TYR 9 H TYR 9 -6.442 -1.634 7.261 64 HA TYR 9 HA TYR 9 -9.176 -2.664 7.533 65 1HB TYR 9 2HB TYR 9 -8.566 0.292 7.482 66 2HB TYR 9 1HB TYR 9 -10.105 -0.490 7.828 67 HD1 TYR 9 1HD TYR 9 -7.451 1.183 9.282 68 HD2 TYR 9 2HD TYR 9 -9.909 -2.236 9.895 69 HE1 TYR 9 1HE TYR 9 -6.932 1.248 11.685 70 HE2 TYR 9 2HE TYR 9 -9.398 -2.179 12.299 71 HH TYR 9 HH TYR 9 -7.081 -0.983 13.661 72 HA PRO 10 HA PRO 10 -9.771 -2.493 3.179 73 1HB PRO 10 2HB PRO 10 -11.820 -0.367 3.654 74 2HB PRO 10 1HB PRO 10 -11.931 -1.835 2.675 75 1HG PRO 10 2HG PRO 10 -13.074 -1.732 5.071 76 2HG PRO 10 1HG PRO 10 -12.250 -3.204 4.525 77 1HD PRO 10 2HD PRO 10 -11.374 -1.166 6.510 78 2HD PRO 10 1HD PRO 10 -11.052 -2.911 6.463 79 H PHE 11 H PHE 11 -9.845 -0.942 1.280 80 HA PHE 11 HA PHE 11 -7.996 1.270 1.825 81 1HB PHE 11 2HB PHE 11 -7.494 -0.634 0.147 82 2HB PHE 11 1HB PHE 11 -8.636 0.193 -0.908 83 HD1 PHE 11 1HD PHE 11 -5.278 -0.137 -0.112 84 HD2 PHE 11 2HD PHE 11 -8.176 2.821 -1.091 85 HE1 PHE 11 1HE PHE 11 -3.483 1.369 -0.862 86 HE2 PHE 11 2HE PHE 11 -6.388 4.333 -1.842 87 HZ PHE 11 HZ PHE 11 -4.037 3.610 -1.729 88 H SER 12 H SER 12 -8.431 3.346 1.264 89 HA SER 12 HA SER 12 -11.058 3.887 0.040 90 1HB SER 12 2HB SER 12 -9.861 4.907 2.542 91 2HB SER 12 1HB SER 12 -10.614 6.130 1.517 92 HG SER 12 HG SER 12 -11.799 4.399 3.134 93 H SER 13 H SER 13 -10.859 4.854 -1.860 94 HA SER 13 HA SER 13 -8.460 6.472 -2.380 95 1HB SER 13 2HB SER 13 -10.082 4.639 -4.062 96 2HB SER 13 1HB SER 13 -9.427 6.074 -4.852 97 HG SER 13 HG SER 13 -7.389 5.294 -3.655 98 H VAL 14 H VAL 14 -8.866 8.174 -4.137 99 HA VAL 14 HA VAL 14 -11.444 9.351 -4.324 100 HB VAL 14 HB VAL 14 -11.253 10.145 -2.147 101 1HG1 VAL 14 1HG1 VAL 14 -9.215 11.116 -1.207 102 2HG1 VAL 14 2HG1 VAL 14 -8.373 10.801 -2.724 103 3HG1 VAL 14 3HG1 VAL 14 -8.969 9.457 -1.752 104 1HG2 VAL 14 1HG2 VAL 14 -10.035 12.377 -3.773 105 2HG2 VAL 14 2HG2 VAL 14 -11.006 12.531 -2.308 106 3HG2 VAL 14 3HG2 VAL 14 -11.744 11.941 -3.797 107 H THR 15 H THR 15 -7.946 9.866 -4.491 108 HA THR 15 HA THR 15 -8.145 11.914 -6.487 109 HB THR 15 HB THR 15 -5.582 10.494 -6.281 110 HG1 THR 15 1HG THR 15 -5.188 11.149 -4.168 111 1HG2 THR 15 1HG2 THR 15 -5.292 12.558 -7.202 112 2HG2 THR 15 2HG2 THR 15 -4.967 12.915 -5.506 113 3HG2 THR 15 3HG2 THR 15 -6.540 13.303 -6.203 114 H GLU 16 H GLU 16 -6.786 11.594 -8.568 115 HA GLU 16 HA GLU 16 -7.987 9.387 -9.990 116 1HB GLU 16 2HB GLU 16 -8.087 11.150 -11.410 117 2HB GLU 16 1HB GLU 16 -6.716 11.955 -10.665 118 1HG GLU 16 2HG GLU 16 -6.226 11.424 -12.962 119 2HG GLU 16 1HG GLU 16 -5.195 10.480 -11.887 120 H GLU 17 H GLU 17 -4.848 10.288 -8.766 121 HA GLU 17 HA GLU 17 -3.570 8.052 -10.152 122 1HB GLU 17 2HB GLU 17 -1.467 8.978 -9.267 123 2HB GLU 17 1HB GLU 17 -2.378 10.172 -10.183 124 1HG GLU 17 2HG GLU 17 -3.176 10.376 -7.477 125 2HG GLU 17 1HG GLU 17 -1.414 10.321 -7.517 126 H GLU 18 H GLU 18 -5.513 7.521 -8.086 127 HA GLU 18 HA GLU 18 -3.800 6.255 -6.054 128 1HB GLU 18 2HB GLU 18 -6.564 7.411 -5.866 129 2HB GLU 18 1HB GLU 18 -5.990 6.224 -4.707 130 1HG GLU 18 2HG GLU 18 -3.954 8.070 -4.765 131 2HG GLU 18 1HG GLU 18 -5.406 9.058 -4.916 132 H LEU 19 H LEU 19 -5.547 4.467 -4.960 133 HA LEU 19 HA LEU 19 -6.758 2.966 -7.133 134 1HB LEU 19 2HB LEU 19 -4.176 2.355 -6.058 135 2HB LEU 19 1HB LEU 19 -5.288 1.045 -5.706 136 HG LEU 19 HG LEU 19 -5.906 1.305 -8.230 137 1HD1 LEU 19 1HD1 LEU 19 -4.088 3.275 -8.140 138 2HD1 LEU 19 2HD1 LEU 19 -4.544 2.393 -9.594 139 3HD1 LEU 19 3HD1 LEU 19 -3.102 1.926 -8.694 140 1HD2 LEU 19 1HD2 LEU 19 -4.524 -0.498 -6.791 141 2HD2 LEU 19 2HD2 LEU 19 -3.285 0.001 -7.943 142 3HD2 LEU 19 3HD2 LEU 19 -4.819 -0.642 -8.525 143 H ASN 20 H ASN 20 -8.362 1.629 -6.564 144 HA ASN 20 HA ASN 20 -9.048 1.481 -3.698 145 1HB ASN 20 2HB ASN 20 -11.418 1.164 -4.523 146 2HB ASN 20 1HB ASN 20 -10.736 2.760 -4.820 147 1HD2 ASN 20 1HD2 ASN 20 -10.242 3.379 -6.912 148 2HD2 ASN 20 2HD2 ASN 20 -10.831 2.525 -8.293 149 H PHE 21 H PHE 21 -8.268 -0.447 -3.074 150 HA PHE 21 HA PHE 21 -8.941 -2.812 -4.706 151 1HB PHE 21 2HB PHE 21 -6.538 -2.139 -3.055 152 2HB PHE 21 1HB PHE 21 -6.961 -3.818 -3.356 153 HD1 PHE 21 1HD PHE 21 -8.073 -2.250 -6.209 154 HD2 PHE 21 2HD PHE 21 -4.433 -3.222 -4.228 155 HE1 PHE 21 1HE PHE 21 -6.888 -2.186 -8.352 156 HE2 PHE 21 2HE PHE 21 -3.255 -3.160 -6.369 157 HZ PHE 21 HZ PHE 21 -4.475 -2.647 -8.425 158 H GLU 22 H GLU 22 -9.172 -4.832 -3.514 159 HA GLU 22 HA GLU 22 -11.155 -4.642 -1.529 160 1HB GLU 22 2HB GLU 22 -10.174 -6.613 -3.220 161 2HB GLU 22 1HB GLU 22 -9.799 -7.220 -1.614 162 1HG GLU 22 2HG GLU 22 -12.277 -6.590 -1.110 163 2HG GLU 22 1HG GLU 22 -12.445 -6.667 -2.864 164 H LYS 23 H LYS 23 -10.338 -6.802 0.216 165 HA LYS 23 HA LYS 23 -9.370 -5.419 2.381 166 1HB LYS 23 2HB LYS 23 -9.843 -7.340 3.402 167 2HB LYS 23 1HB LYS 23 -10.195 -8.023 1.830 168 1HG LYS 23 2HG LYS 23 -8.714 -9.512 2.909 169 2HG LYS 23 1HG LYS 23 -7.786 -8.684 1.663 170 1HD LYS 23 2HD LYS 23 -6.959 -9.016 4.213 171 2HD LYS 23 1HD LYS 23 -6.395 -7.723 3.165 172 1HE LYS 23 2HE LYS 23 -6.983 -6.743 5.252 173 2HE LYS 23 1HE LYS 23 -8.259 -6.310 4.119 174 1HZ LYS 23 1HZ LYS 23 -9.751 -7.301 5.399 175 2HZ LYS 23 2HZ LYS 23 -8.552 -7.546 6.567 176 3HZ LYS 23 3HZ LYS 23 -8.875 -8.749 5.422 177 H GLY 24 H GLY 24 -7.467 -4.844 3.163 178 1HA GLY 24 2HA GLY 24 -5.072 -5.605 1.624 179 2HA GLY 24 1HA GLY 24 -5.261 -4.087 2.491 180 H GLU 25 H GLU 25 -4.534 -7.463 2.744 181 HA GLU 25 HA GLU 25 -4.107 -7.266 5.618 182 1HB GLU 25 2HB GLU 25 -4.890 -9.356 3.883 183 2HB GLU 25 1HB GLU 25 -3.313 -9.800 4.526 184 1HG GLU 25 2HG GLU 25 -4.110 -9.586 6.773 185 2HG GLU 25 1HG GLU 25 -5.657 -8.966 6.202 186 H THR 26 H THR 26 -2.485 -7.152 2.679 187 HA THR 26 HA THR 26 -0.018 -6.459 3.877 188 HB THR 26 HB THR 26 0.994 -8.491 2.371 189 HG1 THR 26 1HG THR 26 -1.217 -9.337 2.300 190 1HG2 THR 26 1HG2 THR 26 1.805 -9.427 4.319 191 2HG2 THR 26 2HG2 THR 26 0.369 -8.987 5.243 192 3HG2 THR 26 3HG2 THR 26 1.527 -7.744 4.768 193 H MET 27 H MET 27 1.042 -5.170 2.574 194 HA MET 27 HA MET 27 0.721 -5.366 -0.328 195 1HB MET 27 2HB MET 27 0.031 -3.013 1.390 196 2HB MET 27 1HB MET 27 0.659 -2.741 -0.229 197 1HG MET 27 2HG MET 27 -1.249 -3.368 -1.212 198 2HG MET 27 1HG MET 27 -1.508 -4.702 -0.089 199 1HE MET 27 1HE MET 27 -4.846 -3.191 0.749 200 2HE MET 27 2HE MET 27 -3.881 -4.618 0.368 201 3HE MET 27 3HE MET 27 -4.181 -3.400 -0.871 202 H GLU 28 H GLU 28 2.395 -3.982 -1.462 203 HA GLU 28 HA GLU 28 4.805 -3.697 0.218 204 1HB GLU 28 2HB GLU 28 5.190 -4.362 -2.628 205 2HB GLU 28 1HB GLU 28 6.122 -4.854 -1.229 206 1HG GLU 28 2HG GLU 28 4.472 -6.526 -0.669 207 2HG GLU 28 1HG GLU 28 3.437 -5.983 -1.988 208 H VAL 29 H VAL 29 5.393 -1.671 0.304 209 HA VAL 29 HA VAL 29 4.653 0.171 -1.824 210 HB VAL 29 HB VAL 29 5.587 0.513 1.006 211 1HG1 VAL 29 1HG1 VAL 29 6.810 2.279 0.264 212 2HG1 VAL 29 2HG1 VAL 29 5.232 3.064 0.350 213 3HG1 VAL 29 3HG1 VAL 29 5.843 2.477 -1.198 214 1HG2 VAL 29 1HG2 VAL 29 3.313 2.018 -0.094 215 2HG2 VAL 29 2HG2 VAL 29 3.477 1.153 1.436 216 3HG2 VAL 29 3HG2 VAL 29 3.124 0.264 -0.046 217 H ILE 30 H ILE 30 6.017 1.042 -3.217 218 HA ILE 30 HA ILE 30 8.800 0.186 -3.163 219 HB ILE 30 HB ILE 30 8.692 1.611 -5.438 220 1HG1 ILE 30 2HG1 ILE 30 6.113 1.908 -4.747 221 2HG1 ILE 30 1HG1 ILE 30 6.639 1.810 -6.416 222 1HG2 ILE 30 1HG2 ILE 30 9.445 -0.599 -5.469 223 2HG2 ILE 30 2HG2 ILE 30 8.049 -0.589 -6.547 224 3HG2 ILE 30 3HG2 ILE 30 7.894 -1.228 -4.910 225 1HD1 ILE 30 1HD1 ILE 30 6.099 -0.577 -6.442 226 2HD1 ILE 30 2HD1 ILE 30 4.699 0.415 -6.049 227 3HD1 ILE 30 3HD1 ILE 30 5.543 -0.457 -4.774 228 H GLU 31 H GLU 31 7.238 3.285 -4.017 229 HA GLU 31 HA GLU 31 9.520 4.843 -3.495 230 1HB GLU 31 2HB GLU 31 7.513 5.530 -4.862 231 2HB GLU 31 1HB GLU 31 6.650 5.777 -3.350 232 1HG GLU 31 2HG GLU 31 9.208 7.143 -3.396 233 2HG GLU 31 1HG GLU 31 8.148 7.646 -4.712 234 H LYS 32 H LYS 32 10.387 5.545 -1.635 235 HA LYS 32 HA LYS 32 8.827 5.111 0.813 236 1HB LYS 32 2HB LYS 32 11.647 4.702 0.111 237 2HB LYS 32 1HB LYS 32 11.390 5.452 1.679 238 1HG LYS 32 2HG LYS 32 11.555 2.946 1.677 239 2HG LYS 32 1HG LYS 32 10.126 3.621 2.465 240 1HD LYS 32 2HD LYS 32 8.968 3.286 0.192 241 2HD LYS 32 1HD LYS 32 10.338 2.248 -0.197 242 1HE LYS 32 2HE LYS 32 8.433 1.920 2.117 243 2HE LYS 32 1HE LYS 32 8.482 0.935 0.655 244 1HZ LYS 32 1HZ LYS 32 10.578 1.122 2.750 245 2HZ LYS 32 2HZ LYS 32 10.770 0.292 1.290 246 3HZ LYS 32 3HZ LYS 32 9.604 -0.218 2.403 247 HA PRO 33 HA PRO 33 9.087 9.407 1.742 248 1HB PRO 33 2HB PRO 33 8.401 9.306 4.350 249 2HB PRO 33 1HB PRO 33 7.271 8.916 3.052 250 1HG PRO 33 2HG PRO 33 8.559 7.134 4.994 251 2HG PRO 33 1HG PRO 33 7.130 6.849 3.992 252 1HD PRO 33 2HD PRO 33 9.852 5.983 3.549 253 2HD PRO 33 1HD PRO 33 8.392 5.581 2.624 254 H GLU 34 H GLU 34 11.590 7.521 2.494 255 HA GLU 34 HA GLU 34 12.803 8.868 4.677 256 1HB GLU 34 2HB GLU 34 14.880 7.732 3.938 257 2HB GLU 34 1HB GLU 34 13.519 6.633 4.099 258 1HG GLU 34 2HG GLU 34 13.192 6.666 1.688 259 2HG GLU 34 1HG GLU 34 14.535 7.794 1.514 260 H ASN 35 H ASN 35 12.673 9.431 1.251 261 HA ASN 35 HA ASN 35 14.446 11.760 1.591 262 1HB ASN 35 2HB ASN 35 14.718 11.534 -0.963 263 2HB ASN 35 1HB ASN 35 15.561 10.372 0.058 264 1HD2 ASN 35 1HD2 ASN 35 15.599 8.536 -1.029 265 2HD2 ASN 35 2HD2 ASN 35 14.237 7.770 -1.768 266 H ASP 36 H ASP 36 11.500 10.520 0.103 267 HA ASP 36 HA ASP 36 10.589 13.303 -0.237 268 1HB ASP 36 2HB ASP 36 9.863 10.950 -1.993 269 2HB ASP 36 1HB ASP 36 9.316 12.611 -2.199 270 HA PRO 37 HA PRO 37 7.491 11.455 2.532 271 1HB PRO 37 2HB PRO 37 6.914 13.668 3.912 272 2HB PRO 37 1HB PRO 37 8.425 12.791 4.185 273 1HG PRO 37 2HG PRO 37 7.940 15.285 2.605 274 2HG PRO 37 1HG PRO 37 9.276 14.898 3.704 275 1HD PRO 37 2HD PRO 37 9.401 14.695 0.953 276 2HD PRO 37 1HD PRO 37 10.446 13.804 2.077 277 H GLU 38 H GLU 38 6.709 11.847 -0.059 278 HA GLU 38 HA GLU 38 4.417 13.665 0.073 279 1HB GLU 38 2HB GLU 38 4.374 12.981 -2.488 280 2HB GLU 38 1HB GLU 38 5.433 14.243 -1.879 281 1HG GLU 38 2HG GLU 38 7.316 13.022 -2.198 282 2HG GLU 38 1HG GLU 38 6.502 11.482 -1.929 283 H TRP 39 H TRP 39 4.738 10.756 -1.926 284 HA TRP 39 HA TRP 39 2.679 9.378 -0.403 285 1HB TRP 39 2HB TRP 39 2.028 9.434 -3.266 286 2HB TRP 39 1HB TRP 39 0.964 9.577 -1.876 287 HD1 TRP 39 HD TRP 39 2.942 11.655 -4.378 288 HE1 TRP 39 1HE TRP 39 2.215 14.116 -4.189 289 HE3 TRP 39 3HE TRP 39 0.027 11.321 -0.190 290 HZ2 TRP 39 2HZ TRP 39 0.617 15.706 -2.491 291 HZ3 TRP 39 3HZ TRP 39 -1.066 13.360 0.650 292 HH2 TRP 39 HH TRP 39 -0.775 15.506 -0.478 293 H TRP 40 H TRP 40 2.482 7.133 -0.962 294 HA TRP 40 HA TRP 40 4.638 6.192 -2.728 295 1HB TRP 40 2HB TRP 40 4.520 4.060 -1.256 296 2HB TRP 40 1HB TRP 40 5.419 5.456 -0.681 297 HD1 TRP 40 HD TRP 40 2.025 3.676 -0.084 298 HE1 TRP 40 1HE TRP 40 1.310 4.159 2.321 299 HE3 TRP 40 3HE TRP 40 5.683 6.992 1.195 300 HZ2 TRP 40 2HZ TRP 40 2.166 5.772 4.493 301 HZ3 TRP 40 3HZ TRP 40 5.657 7.978 3.447 302 HH2 TRP 40 HH TRP 40 3.931 7.378 5.063 303 H LYS 41 H LYS 41 4.219 3.837 -3.383 304 HA LYS 41 HA LYS 41 1.418 3.260 -3.814 305 1HB LYS 41 2HB LYS 41 1.947 2.868 -6.296 306 2HB LYS 41 1HB LYS 41 1.662 4.510 -5.753 307 1HG LYS 41 2HG LYS 41 3.496 4.757 -7.074 308 2HG LYS 41 1HG LYS 41 4.240 4.592 -5.494 309 1HD LYS 41 2HD LYS 41 5.512 3.149 -6.770 310 2HD LYS 41 1HD LYS 41 4.290 2.068 -6.120 311 1HE LYS 41 2HE LYS 41 4.948 2.508 -8.817 312 2HE LYS 41 1HE LYS 41 3.676 1.481 -8.163 313 1HZ LYS 41 1HZ LYS 41 2.713 2.997 -9.707 314 2HZ LYS 41 2HZ LYS 41 3.440 4.331 -8.964 315 3HZ LYS 41 3HZ LYS 41 2.221 3.477 -8.161 316 H CYS 42 H CYS 42 0.981 1.109 -3.986 317 HA CYS 42 HA CYS 42 3.307 -0.675 -4.134 318 1HB CYS 42 2HB CYS 42 2.040 -2.150 -2.471 319 2HB CYS 42 1HB CYS 42 2.767 -0.686 -1.821 320 HG CYS 42 HG CYS 42 0.543 -0.227 -0.919 321 H LYS 43 H LYS 43 2.857 -2.807 -4.931 322 HA LYS 43 HA LYS 43 0.633 -2.831 -6.821 323 1HB LYS 43 2HB LYS 43 2.688 -5.002 -6.634 324 2HB LYS 43 1HB LYS 43 1.805 -4.429 -8.042 325 1HG LYS 43 2HG LYS 43 3.129 -2.276 -7.814 326 2HG LYS 43 1HG LYS 43 4.148 -3.152 -6.670 327 1HD LYS 43 2HD LYS 43 3.577 -4.209 -9.425 328 2HD LYS 43 1HD LYS 43 4.904 -3.087 -9.111 329 1HE LYS 43 2HE LYS 43 6.095 -4.951 -8.730 330 2HE LYS 43 1HE LYS 43 5.298 -4.931 -7.158 331 1HZ LYS 43 1HZ LYS 43 5.254 -7.045 -8.686 332 2HZ LYS 43 2HZ LYS 43 3.928 -6.257 -9.378 333 3HZ LYS 43 3HZ LYS 43 3.922 -6.631 -7.729 334 H ASN 44 H ASN 44 -0.958 -4.361 -6.900 335 HA ASN 44 HA ASN 44 -1.087 -6.176 -4.565 336 1HB ASN 44 2HB ASN 44 -2.730 -4.105 -4.758 337 2HB ASN 44 1HB ASN 44 -3.588 -5.171 -5.858 338 1HD2 ASN 44 1HD2 ASN 44 -5.342 -5.261 -4.419 339 2HD2 ASN 44 2HD2 ASN 44 -5.284 -6.207 -2.978 340 H ALA 45 H ALA 45 -2.845 -7.908 -4.993 341 HA ALA 45 HA ALA 45 -1.958 -9.413 -7.212 342 1HB ALA 45 1HB ALA 45 -2.716 -10.894 -5.690 343 2HB ALA 45 2HB ALA 45 -4.266 -10.652 -6.497 344 3HB ALA 45 3HB ALA 45 -3.890 -9.758 -5.023 345 H ARG 46 H ARG 46 -3.789 -6.750 -7.150 346 HA ARG 46 HA ARG 46 -5.830 -7.394 -9.069 347 1HB ARG 46 2HB ARG 46 -4.917 -5.086 -7.467 348 2HB ARG 46 1HB ARG 46 -5.643 -4.682 -9.008 349 1HG ARG 46 2HG ARG 46 -7.218 -4.558 -7.210 350 2HG ARG 46 1HG ARG 46 -7.693 -5.807 -8.361 351 1HD ARG 46 2HD ARG 46 -6.418 -6.175 -5.651 352 2HD ARG 46 1HD ARG 46 -8.071 -6.566 -6.103 353 HE ARG 46 HE ARG 46 -5.779 -8.197 -6.489 354 1HH1 ARG 46 1HH1 ARG 46 -8.856 -7.347 -7.895 355 2HH1 ARG 46 2HH1 ARG 46 -9.051 -8.867 -8.701 356 1HH2 ARG 46 1HH2 ARG 46 -6.030 -10.199 -7.553 357 2HH2 ARG 46 2HH2 ARG 46 -7.446 -10.486 -8.508 358 H GLY 47 H GLY 47 -2.512 -6.810 -9.156 359 1HA GLY 47 2HA GLY 47 -1.081 -6.635 -10.963 360 2HA GLY 47 1HA GLY 47 -2.482 -6.533 -12.020 361 H GLN 48 H GLN 48 -3.139 -4.301 -9.779 362 HA GLN 48 HA GLN 48 -1.722 -2.174 -11.216 363 1HB GLN 48 2HB GLN 48 -3.889 -0.877 -10.231 364 2HB GLN 48 1HB GLN 48 -3.749 -1.523 -11.838 365 1HG GLN 48 2HG GLN 48 -4.714 -3.567 -10.118 366 2HG GLN 48 1HG GLN 48 -5.675 -2.105 -9.907 367 1HE2 GLN 48 1HE2 GLN 48 -7.484 -2.458 -10.994 368 2HE2 GLN 48 2HE2 GLN 48 -7.586 -2.967 -12.641 369 H VAL 49 H VAL 49 -0.783 -0.557 -10.087 370 HA VAL 49 HA VAL 49 -1.102 -0.636 -7.163 371 HB VAL 49 HB VAL 49 1.050 -1.338 -7.177 372 1HG1 VAL 49 1HG1 VAL 49 1.411 -1.762 -9.410 373 2HG1 VAL 49 2HG1 VAL 49 2.704 -0.648 -8.958 374 3HG1 VAL 49 3HG1 VAL 49 1.298 -0.057 -9.843 375 1HG2 VAL 49 1HG2 VAL 49 1.700 1.527 -7.761 376 2HG2 VAL 49 2HG2 VAL 49 2.545 0.410 -6.688 377 3HG2 VAL 49 3HG2 VAL 49 0.945 1.012 -6.254 378 H GLY 50 H GLY 50 -1.741 1.203 -6.297 379 1HA GLY 50 2HA GLY 50 -1.418 3.665 -7.889 380 2HA GLY 50 1HA GLY 50 -2.827 3.335 -6.910 381 H LEU 51 H LEU 51 -2.210 5.496 -6.107 382 HA LEU 51 HA LEU 51 0.034 5.493 -4.259 383 1HB LEU 51 2HB LEU 51 -1.672 7.530 -5.497 384 2HB LEU 51 1HB LEU 51 -1.275 7.859 -3.824 385 HG LEU 51 HG LEU 51 0.923 8.261 -4.273 386 1HD1 LEU 51 1HD1 LEU 51 0.648 6.123 -6.300 387 2HD1 LEU 51 2HD1 LEU 51 1.855 6.339 -5.032 388 3HD1 LEU 51 3HD1 LEU 51 1.939 7.308 -6.504 389 1HD2 LEU 51 1HD2 LEU 51 1.074 9.712 -6.051 390 2HD2 LEU 51 2HD2 LEU 51 -0.671 9.624 -5.803 391 3HD2 LEU 51 3HD2 LEU 51 0.085 8.694 -7.097 392 H VAL 52 H VAL 52 -0.108 5.122 -2.158 393 HA VAL 52 HA VAL 52 -2.776 5.127 -0.919 394 HB VAL 52 HB VAL 52 -2.280 2.833 -1.425 395 1HG1 VAL 52 1HG1 VAL 52 -0.270 1.740 -0.890 396 2HG1 VAL 52 2HG1 VAL 52 0.249 3.036 0.183 397 3HG1 VAL 52 3HG1 VAL 52 0.224 3.292 -1.562 398 1HG2 VAL 52 1HG2 VAL 52 -1.727 3.334 1.504 399 2HG2 VAL 52 2HG2 VAL 52 -2.356 1.847 0.797 400 3HG2 VAL 52 3HG2 VAL 52 -3.326 3.317 0.765 401 HA PRO 53 HA PRO 53 -0.545 7.241 2.379 402 1HB PRO 53 2HB PRO 53 -2.633 7.914 3.831 403 2HB PRO 53 1HB PRO 53 -2.528 8.552 2.177 404 1HG PRO 53 2HG PRO 53 -3.973 6.094 3.129 405 2HG PRO 53 1HG PRO 53 -4.663 7.474 2.243 406 1HD PRO 53 2HD PRO 53 -3.851 5.218 1.007 407 2HD PRO 53 1HD PRO 53 -3.658 6.815 0.252 408 H LYS 54 H LYS 54 0.528 5.314 3.184 409 HA LYS 54 HA LYS 54 -0.827 3.310 4.631 410 1HB LYS 54 2HB LYS 54 2.018 3.978 4.161 411 2HB LYS 54 1HB LYS 54 1.649 2.955 5.528 412 1HG LYS 54 2HG LYS 54 2.113 2.075 3.016 413 2HG LYS 54 1HG LYS 54 1.227 1.192 4.251 414 1HD LYS 54 2HD LYS 54 -0.885 2.040 3.364 415 2HD LYS 54 1HD LYS 54 -0.008 2.970 2.150 416 1HE LYS 54 2HE LYS 54 -0.606 1.099 0.952 417 2HE LYS 54 1HE LYS 54 1.001 0.650 1.517 418 1HZ LYS 54 1HZ LYS 54 -1.615 -0.378 2.325 419 2HZ LYS 54 2HZ LYS 54 -0.410 -0.301 3.508 420 3HZ LYS 54 3HZ LYS 54 -0.153 -1.199 2.099 421 H ASN 55 H ASN 55 -0.150 6.454 5.547 422 HA ASN 55 HA ASN 55 0.651 6.377 8.159 423 1HB ASN 55 2HB ASN 55 0.142 8.445 6.900 424 2HB ASN 55 1HB ASN 55 -1.577 8.103 7.060 425 1HD2 ASN 55 1HD2 ASN 55 1.338 9.000 8.750 426 2HD2 ASN 55 2HD2 ASN 55 0.562 9.618 10.165 427 H TYR 56 H TYR 56 -2.278 5.070 6.873 428 HA TYR 56 HA TYR 56 -3.454 4.821 9.552 429 1HB TYR 56 2HB TYR 56 -5.541 4.449 8.515 430 2HB TYR 56 1HB TYR 56 -4.787 5.723 7.571 431 HD1 TYR 56 1HD TYR 56 -5.656 2.132 7.590 432 HD2 TYR 56 2HD TYR 56 -4.280 5.421 5.269 433 HE1 TYR 56 1HE TYR 56 -6.010 0.825 5.540 434 HE2 TYR 56 2HE TYR 56 -4.630 4.122 3.212 435 HH TYR 56 HH TYR 56 -6.349 1.155 3.184 436 H VAL 57 H VAL 57 -1.250 3.206 8.046 437 HA VAL 57 HA VAL 57 -2.288 0.553 8.815 438 HB VAL 57 HB VAL 57 -1.658 -0.432 6.851 439 1HG1 VAL 57 1HG1 VAL 57 -2.173 2.396 5.977 440 2HG1 VAL 57 2HG1 VAL 57 -3.370 1.123 6.208 441 3HG1 VAL 57 3HG1 VAL 57 -2.189 0.996 4.905 442 1HG2 VAL 57 1HG2 VAL 57 0.039 0.475 5.284 443 2HG2 VAL 57 2HG2 VAL 57 0.674 0.082 6.879 444 3HG2 VAL 57 3HG2 VAL 57 0.354 1.760 6.446 445 H VAL 58 H VAL 58 -0.322 -1.037 8.763 446 HA VAL 58 HA VAL 58 1.919 0.262 10.165 447 HB VAL 58 HB VAL 58 0.722 -1.394 11.542 448 1HG1 VAL 58 1HG1 VAL 58 1.653 -3.722 10.027 449 2HG1 VAL 58 2HG1 VAL 58 0.375 -2.799 9.239 450 3HG1 VAL 58 3HG1 VAL 58 0.124 -3.444 10.861 451 1HG2 VAL 58 1HG2 VAL 58 2.606 -2.328 12.450 452 2HG2 VAL 58 2HG2 VAL 58 3.330 -1.072 11.446 453 3HG2 VAL 58 3HG2 VAL 58 3.294 -2.741 10.880 454 H VAL 59 H VAL 59 3.596 0.544 8.833 455 HA VAL 59 HA VAL 59 3.857 -0.903 6.394 456 HB VAL 59 HB VAL 59 5.954 0.850 7.664 457 1HG1 VAL 59 1HG1 VAL 59 6.079 1.117 4.928 458 2HG1 VAL 59 2HG1 VAL 59 5.710 -0.598 5.139 459 3HG1 VAL 59 3HG1 VAL 59 7.135 0.095 5.911 460 1HG2 VAL 59 1HG2 VAL 59 4.801 2.408 5.790 461 2HG2 VAL 59 2HG2 VAL 59 4.342 2.427 7.492 462 3HG2 VAL 59 3HG2 VAL 59 3.398 1.489 6.336 463 H LEU 60 H LEU 60 5.391 -2.322 5.738 464 HA LEU 60 HA LEU 60 6.617 -3.909 7.820 465 1HB LEU 60 2HB LEU 60 5.312 -4.460 5.314 466 2HB LEU 60 1HB LEU 60 6.930 -5.132 5.302 467 HG LEU 60 HG LEU 60 6.466 -6.573 7.102 468 1HD1 LEU 60 1HD1 LEU 60 3.998 -6.310 8.094 469 2HD1 LEU 60 2HD1 LEU 60 4.332 -4.621 7.709 470 3HD1 LEU 60 3HD1 LEU 60 5.405 -5.508 8.792 471 1HD2 LEU 60 1HD2 LEU 60 5.469 -7.696 5.399 472 2HD2 LEU 60 2HD2 LEU 60 4.370 -6.370 5.022 473 3HD2 LEU 60 3HD2 LEU 60 4.038 -7.427 6.393 474 H SER 61 H SER 61 8.740 -4.722 7.364 475 HA SER 61 HA SER 61 10.973 -4.459 7.012 476 1HB SER 61 2HB SER 61 10.065 -4.628 4.600 477 2HB SER 61 1HB SER 61 10.313 -2.883 4.532 478 HG SER 61 HG SER 61 12.185 -3.769 3.815 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 13.518 -11.039 4.281 2 2H GLY 1 2HT GLY 1 13.456 -9.366 4.517 3 3H GLY 1 3HT GLY 1 14.732 -10.264 5.168 4 1HA GLY 1 1HA GLY 1 15.836 -9.553 3.358 5 2HA GLY 1 2HA GLY 1 15.021 -10.925 2.624 6 H SER 2 H SER 2 12.394 -9.774 2.653 7 HA SER 2 HA SER 2 12.741 -7.823 0.480 8 1HB SER 2 2HB SER 2 11.162 -10.170 0.691 9 2HB SER 2 1HB SER 2 10.041 -8.804 0.662 10 HG SER 2 HG SER 2 10.813 -8.207 -1.297 11 H HIS 3 H HIS 3 11.752 -5.853 0.539 12 HA HIS 3 HA HIS 3 10.762 -4.983 3.116 13 1HB HIS 3 2HB HIS 3 10.326 -2.889 1.316 14 2HB HIS 3 1HB HIS 3 11.673 -3.061 2.428 15 HD1 HIS 3 1HD HIS 3 13.790 -4.457 1.329 16 HD2 HIS 3 2HD HIS 3 11.063 -2.712 -1.276 17 HE1 HIS 3 1HE HIS 3 14.968 -4.325 -0.889 18 HE2 HIS 3 2HE HIS 3 13.318 -3.216 -2.437 19 H VAL 4 H VAL 4 8.738 -5.277 3.687 20 HA VAL 4 HA VAL 4 6.660 -5.082 1.604 21 HB VAL 4 HB VAL 4 5.955 -6.851 3.830 22 1HG1 VAL 4 1HG1 VAL 4 4.690 -7.843 2.254 23 2HG1 VAL 4 2HG1 VAL 4 5.981 -7.822 1.055 24 3HG1 VAL 4 3HG1 VAL 4 5.022 -6.370 1.344 25 1HG2 VAL 4 1HG2 VAL 4 8.231 -7.597 2.004 26 2HG2 VAL 4 2HG2 VAL 4 7.288 -8.763 2.932 27 3HG2 VAL 4 3HG2 VAL 4 8.241 -7.537 3.767 28 H VAL 5 H VAL 5 4.454 -4.761 2.562 29 HA VAL 5 HA VAL 5 4.571 -3.223 5.046 30 HB VAL 5 HB VAL 5 4.443 -1.346 3.849 31 1HG1 VAL 5 1HG1 VAL 5 4.695 -1.409 1.673 32 2HG1 VAL 5 2HG1 VAL 5 3.003 -1.837 1.456 33 3HG1 VAL 5 3HG1 VAL 5 4.211 -3.096 1.659 34 1HG2 VAL 5 1HG2 VAL 5 2.113 -0.663 3.172 35 2HG2 VAL 5 2HG2 VAL 5 2.314 -1.199 4.838 36 3HG2 VAL 5 3HG2 VAL 5 1.596 -2.279 3.647 37 H GLN 6 H GLN 6 2.484 -2.848 6.040 38 HA GLN 6 HA GLN 6 0.567 -5.001 5.421 39 1HB GLN 6 2HB GLN 6 2.196 -5.015 7.595 40 2HB GLN 6 1HB GLN 6 0.809 -4.143 8.238 41 1HG GLN 6 2HG GLN 6 -0.632 -5.943 7.919 42 2HG GLN 6 1HG GLN 6 0.473 -6.740 6.802 43 1HE2 GLN 6 1HE2 GLN 6 1.770 -8.266 7.582 44 2HE2 GLN 6 2HE2 GLN 6 2.061 -8.577 9.256 45 H THR 7 H THR 7 -1.632 -4.522 5.689 46 HA THR 7 HA THR 7 -2.171 -1.659 6.188 47 HB THR 7 HB THR 7 -4.381 -2.719 4.841 48 HG1 THR 7 1HG THR 7 -1.990 -3.471 3.521 49 1HG2 THR 7 1HG2 THR 7 -2.153 -0.895 4.125 50 2HG2 THR 7 2HG2 THR 7 -3.884 -0.579 4.239 51 3HG2 THR 7 3HG2 THR 7 -3.238 -1.458 2.855 52 H LEU 8 H LEU 8 -3.735 -1.052 7.546 53 HA LEU 8 HA LEU 8 -4.941 -3.163 9.191 54 1HB LEU 8 2HB LEU 8 -4.737 -0.269 9.940 55 2HB LEU 8 1HB LEU 8 -4.927 -1.653 10.992 56 HG LEU 8 HG LEU 8 -2.726 -0.854 11.301 57 1HD1 LEU 8 1HD1 LEU 8 -3.193 -3.418 10.579 58 2HD1 LEU 8 2HD1 LEU 8 -1.649 -2.812 11.178 59 3HD1 LEU 8 3HD1 LEU 8 -1.924 -2.962 9.442 60 1HD2 LEU 8 1HD2 LEU 8 -1.294 -0.097 9.734 61 2HD2 LEU 8 2HD2 LEU 8 -2.839 0.308 8.985 62 3HD2 LEU 8 3HD2 LEU 8 -1.958 -1.134 8.470 63 H TYR 9 H TYR 9 -5.616 0.024 7.776 64 HA TYR 9 HA TYR 9 -8.480 -0.363 8.185 65 1HB TYR 9 2HB TYR 9 -6.790 1.986 7.356 66 2HB TYR 9 1HB TYR 9 -8.539 2.017 7.183 67 HD1 TYR 9 1HD TYR 9 -5.802 2.583 9.378 68 HD2 TYR 9 2HD TYR 9 -9.928 1.547 9.312 69 HE1 TYR 9 1HE TYR 9 -6.008 3.277 11.728 70 HE2 TYR 9 2HE TYR 9 -10.146 2.241 11.661 71 HH TYR 9 HH TYR 9 -7.660 2.626 13.703 72 HA PRO 10 HA PRO 10 -9.699 -1.522 4.123 73 1HB PRO 10 2HB PRO 10 -11.481 0.510 3.447 74 2HB PRO 10 1HB PRO 10 -11.884 -0.942 4.366 75 1HG PRO 10 2HG PRO 10 -11.252 1.809 5.344 76 2HG PRO 10 1HG PRO 10 -12.455 0.652 5.943 77 1HD PRO 10 2HD PRO 10 -10.155 1.038 7.242 78 2HD PRO 10 1HD PRO 10 -10.865 -0.585 7.109 79 H PHE 11 H PHE 11 -10.351 -0.127 1.888 80 HA PHE 11 HA PHE 11 -7.872 1.361 1.339 81 1HB PHE 11 2HB PHE 11 -8.086 0.669 -0.962 82 2HB PHE 11 1HB PHE 11 -8.244 -0.751 0.065 83 HD1 PHE 11 1HD PHE 11 -10.019 1.575 -2.141 84 HD2 PHE 11 2HD PHE 11 -10.310 -1.959 0.212 85 HE1 PHE 11 1HE PHE 11 -12.162 1.037 -3.223 86 HE2 PHE 11 2HE PHE 11 -12.453 -2.504 -0.866 87 HZ PHE 11 HZ PHE 11 -13.383 -1.006 -2.585 88 H SER 12 H SER 12 -7.965 3.437 0.794 89 HA SER 12 HA SER 12 -10.516 4.537 -0.171 90 1HB SER 12 2HB SER 12 -10.489 5.289 2.063 91 2HB SER 12 1HB SER 12 -8.750 5.584 2.034 92 HG SER 12 HG SER 12 -10.612 7.019 0.450 93 H SER 13 H SER 13 -10.231 5.369 -2.144 94 HA SER 13 HA SER 13 -7.873 6.993 -2.668 95 1HB SER 13 2HB SER 13 -8.406 4.359 -3.908 96 2HB SER 13 1HB SER 13 -7.884 5.641 -5.000 97 HG SER 13 HG SER 13 -6.496 4.353 -2.975 98 H VAL 14 H VAL 14 -8.454 8.800 -3.657 99 HA VAL 14 HA VAL 14 -10.703 8.760 -5.535 100 HB VAL 14 HB VAL 14 -11.578 10.852 -4.607 101 1HG1 VAL 14 1HG1 VAL 14 -12.079 8.379 -3.744 102 2HG1 VAL 14 2HG1 VAL 14 -12.884 9.802 -3.082 103 3HG1 VAL 14 3HG1 VAL 14 -11.511 9.091 -2.234 104 1HG2 VAL 14 1HG2 VAL 14 -9.651 11.826 -3.605 105 2HG2 VAL 14 2HG2 VAL 14 -9.437 10.444 -2.531 106 3HG2 VAL 14 3HG2 VAL 14 -10.812 11.525 -2.313 107 H THR 15 H THR 15 -7.530 9.595 -4.975 108 HA THR 15 HA THR 15 -7.552 11.990 -6.633 109 HB THR 15 HB THR 15 -5.086 10.636 -5.570 110 HG1 THR 15 1HG THR 15 -6.529 10.908 -3.825 111 1HG2 THR 15 1HG2 THR 15 -4.513 13.144 -5.250 112 2HG2 THR 15 2HG2 THR 15 -5.787 13.396 -6.442 113 3HG2 THR 15 3HG2 THR 15 -4.384 12.409 -6.847 114 H GLU 16 H GLU 16 -5.801 12.123 -8.358 115 HA GLU 16 HA GLU 16 -6.319 10.155 -10.325 116 1HB GLU 16 2HB GLU 16 -5.199 12.740 -10.237 117 2HB GLU 16 1HB GLU 16 -3.969 11.700 -10.941 118 1HG GLU 16 2HG GLU 16 -6.304 10.944 -12.219 119 2HG GLU 16 1HG GLU 16 -6.430 12.697 -12.079 120 H GLU 17 H GLU 17 -3.588 10.738 -8.170 121 HA GLU 17 HA GLU 17 -2.111 8.515 -9.348 122 1HB GLU 17 2HB GLU 17 -1.203 10.042 -6.927 123 2HB GLU 17 1HB GLU 17 -0.237 9.230 -8.148 124 1HG GLU 17 2HG GLU 17 -0.026 11.095 -9.306 125 2HG GLU 17 1HG GLU 17 -1.773 11.316 -9.370 126 H GLU 18 H GLU 18 -4.661 8.380 -7.622 127 HA GLU 18 HA GLU 18 -3.652 6.635 -5.499 128 1HB GLU 18 2HB GLU 18 -6.082 8.297 -5.847 129 2HB GLU 18 1HB GLU 18 -6.247 6.811 -4.929 130 1HG GLU 18 2HG GLU 18 -4.266 7.615 -3.557 131 2HG GLU 18 1HG GLU 18 -4.507 9.179 -4.334 132 H LEU 19 H LEU 19 -5.602 4.917 -4.995 133 HA LEU 19 HA LEU 19 -6.697 3.755 -7.395 134 1HB LEU 19 2HB LEU 19 -4.131 2.934 -6.472 135 2HB LEU 19 1HB LEU 19 -5.253 1.617 -6.218 136 HG LEU 19 HG LEU 19 -5.941 2.052 -8.672 137 1HD1 LEU 19 1HD1 LEU 19 -3.480 2.721 -9.685 138 2HD1 LEU 19 2HD1 LEU 19 -3.697 3.849 -8.349 139 3HD1 LEU 19 3HD1 LEU 19 -4.904 3.760 -9.629 140 1HD2 LEU 19 1HD2 LEU 19 -3.231 0.907 -8.600 141 2HD2 LEU 19 2HD2 LEU 19 -4.740 0.213 -9.194 142 3HD2 LEU 19 3HD2 LEU 19 -4.392 0.218 -7.466 143 H ASN 20 H ASN 20 -8.420 2.480 -6.994 144 HA ASN 20 HA ASN 20 -8.995 1.891 -4.165 145 1HB ASN 20 2HB ASN 20 -11.396 1.728 -4.952 146 2HB ASN 20 1HB ASN 20 -10.689 3.340 -5.031 147 1HD2 ASN 20 1HD2 ASN 20 -12.862 1.826 -6.540 148 2HD2 ASN 20 2HD2 ASN 20 -12.496 2.137 -8.200 149 H PHE 21 H PHE 21 -8.191 -0.089 -3.867 150 HA PHE 21 HA PHE 21 -9.301 -2.258 -5.510 151 1HB PHE 21 2HB PHE 21 -6.998 -3.418 -5.094 152 2HB PHE 21 1HB PHE 21 -7.157 -2.250 -6.395 153 HD1 PHE 21 1HD PHE 21 -6.800 -1.513 -2.771 154 HD2 PHE 21 2HD PHE 21 -4.971 -1.487 -6.611 155 HE1 PHE 21 1HE PHE 21 -4.918 -0.226 -1.858 156 HE2 PHE 21 2HE PHE 21 -3.082 -0.199 -5.704 157 HZ PHE 21 HZ PHE 21 -3.053 0.432 -3.324 158 H GLU 22 H GLU 22 -9.191 -4.411 -4.339 159 HA GLU 22 HA GLU 22 -10.134 -4.042 -1.670 160 1HB GLU 22 2HB GLU 22 -9.549 -6.458 -3.348 161 2HB GLU 22 1HB GLU 22 -9.992 -6.620 -1.657 162 1HG GLU 22 2HG GLU 22 -12.063 -6.772 -2.520 163 2HG GLU 22 1HG GLU 22 -11.964 -5.013 -2.458 164 H LYS 23 H LYS 23 -8.624 -3.229 -0.352 165 HA LYS 23 HA LYS 23 -5.927 -4.167 -0.266 166 1HB LYS 23 2HB LYS 23 -6.642 -1.845 0.337 167 2HB LYS 23 1HB LYS 23 -7.362 -2.501 1.801 168 1HG LYS 23 2HG LYS 23 -5.095 -1.489 2.092 169 2HG LYS 23 1HG LYS 23 -5.246 -3.154 2.654 170 1HD LYS 23 2HD LYS 23 -3.147 -2.707 1.393 171 2HD LYS 23 1HD LYS 23 -4.140 -3.979 0.686 172 1HE LYS 23 2HE LYS 23 -5.075 -2.263 -0.877 173 2HE LYS 23 1HE LYS 23 -3.888 -1.124 -0.244 174 1HZ LYS 23 1HZ LYS 23 -2.360 -3.243 -0.884 175 2HZ LYS 23 2HZ LYS 23 -2.614 -1.906 -1.888 176 3HZ LYS 23 3HZ LYS 23 -3.539 -3.307 -2.096 177 H GLY 24 H GLY 24 -4.978 -5.620 1.031 178 1HA GLY 24 2HA GLY 24 -6.742 -7.117 2.855 179 2HA GLY 24 1HA GLY 24 -5.301 -7.767 2.081 180 H GLU 25 H GLU 25 -4.688 -8.414 4.265 181 HA GLU 25 HA GLU 25 -3.872 -6.255 6.028 182 1HB GLU 25 2HB GLU 25 -4.988 -8.693 6.558 183 2HB GLU 25 1HB GLU 25 -3.281 -9.010 6.854 184 1HG GLU 25 2HG GLU 25 -3.150 -7.340 8.493 185 2HG GLU 25 1HG GLU 25 -4.705 -6.658 8.026 186 H THR 26 H THR 26 -2.525 -6.948 3.458 187 HA THR 26 HA THR 26 0.141 -6.602 4.339 188 HB THR 26 HB THR 26 0.915 -8.732 3.043 189 HG1 THR 26 1HG THR 26 -0.833 -9.777 2.446 190 1HG2 THR 26 1HG2 THR 26 1.064 -8.170 5.588 191 2HG2 THR 26 2HG2 THR 26 1.381 -9.803 5.000 192 3HG2 THR 26 3HG2 THR 26 -0.182 -9.412 5.718 193 H MET 27 H MET 27 1.058 -5.390 2.916 194 HA MET 27 HA MET 27 0.664 -5.832 0.061 195 1HB MET 27 2HB MET 27 0.046 -3.643 -0.459 196 2HB MET 27 1HB MET 27 -0.891 -3.980 0.988 197 1HG MET 27 2HG MET 27 1.458 -2.918 1.963 198 2HG MET 27 1HG MET 27 1.146 -1.978 0.508 199 1HE MET 27 1HE MET 27 -2.495 -0.766 1.132 200 2HE MET 27 2HE MET 27 -1.500 -1.668 -0.012 201 3HE MET 27 3HE MET 27 -1.034 -0.036 0.468 202 H GLU 28 H GLU 28 2.345 -4.580 -1.223 203 HA GLU 28 HA GLU 28 4.824 -4.306 0.374 204 1HB GLU 28 2HB GLU 28 4.650 -5.210 -2.485 205 2HB GLU 28 1HB GLU 28 6.074 -5.202 -1.467 206 1HG GLU 28 2HG GLU 28 5.624 -7.236 -0.720 207 2HG GLU 28 1HG GLU 28 3.992 -6.761 -0.254 208 H VAL 29 H VAL 29 5.601 -2.284 0.326 209 HA VAL 29 HA VAL 29 4.726 -0.496 -1.817 210 HB VAL 29 HB VAL 29 5.830 0.026 0.930 211 1HG1 VAL 29 1HG1 VAL 29 5.472 1.997 -1.318 212 2HG1 VAL 29 2HG1 VAL 29 6.946 1.648 -0.416 213 3HG1 VAL 29 3HG1 VAL 29 5.599 2.461 0.379 214 1HG2 VAL 29 1HG2 VAL 29 3.405 1.359 -0.072 215 2HG2 VAL 29 2HG2 VAL 29 3.733 0.618 1.495 216 3HG2 VAL 29 3HG2 VAL 29 3.297 -0.391 0.115 217 H ILE 30 H ILE 30 6.023 0.257 -3.316 218 HA ILE 30 HA ILE 30 8.751 -0.674 -3.453 219 HB ILE 30 HB ILE 30 8.623 0.885 -5.616 220 1HG1 ILE 30 2HG1 ILE 30 6.178 1.460 -4.711 221 2HG1 ILE 30 1HG1 ILE 30 6.538 1.372 -6.423 222 1HG2 ILE 30 1HG2 ILE 30 9.096 -1.411 -5.801 223 2HG2 ILE 30 2HG2 ILE 30 7.693 -1.124 -6.831 224 3HG2 ILE 30 3HG2 ILE 30 7.486 -1.868 -5.246 225 1HD1 ILE 30 1HD1 ILE 30 4.451 0.239 -5.848 226 2HD1 ILE 30 2HD1 ILE 30 5.346 -0.855 -4.797 227 3HD1 ILE 30 3HD1 ILE 30 5.640 -0.865 -6.535 228 H GLU 31 H GLU 31 7.732 2.570 -4.444 229 HA GLU 31 HA GLU 31 10.130 3.750 -3.531 230 1HB GLU 31 2HB GLU 31 9.092 5.880 -4.138 231 2HB GLU 31 1HB GLU 31 8.840 4.676 -5.395 232 1HG GLU 31 2HG GLU 31 6.574 4.261 -4.292 233 2HG GLU 31 1HG GLU 31 6.862 5.771 -3.429 234 H LYS 32 H LYS 32 10.512 5.149 -1.811 235 HA LYS 32 HA LYS 32 8.612 4.870 0.417 236 1HB LYS 32 2HB LYS 32 11.575 4.845 0.245 237 2HB LYS 32 1HB LYS 32 10.871 5.604 1.664 238 1HG LYS 32 2HG LYS 32 11.483 3.132 1.809 239 2HG LYS 32 1HG LYS 32 9.892 3.620 2.394 240 1HD LYS 32 2HD LYS 32 8.933 2.938 0.209 241 2HD LYS 32 1HD LYS 32 10.526 2.355 -0.275 242 1HE LYS 32 2HE LYS 32 9.443 1.371 2.301 243 2HE LYS 32 1HE LYS 32 8.675 0.777 0.829 244 1HZ LYS 32 1HZ LYS 32 10.880 0.087 0.042 245 2HZ LYS 32 2HZ LYS 32 10.446 -0.692 1.480 246 3HZ LYS 32 3HZ LYS 32 11.560 0.581 1.512 247 HA PRO 33 HA PRO 33 7.977 9.205 0.666 248 1HB PRO 33 2HB PRO 33 8.285 9.183 3.580 249 2HB PRO 33 1HB PRO 33 6.842 9.484 2.610 250 1HG PRO 33 2HG PRO 33 7.154 7.231 4.060 251 2HG PRO 33 1HG PRO 33 6.271 7.256 2.523 252 1HD PRO 33 2HD PRO 33 9.062 6.334 3.093 253 2HD PRO 33 1HD PRO 33 7.827 5.611 2.040 254 H GLU 34 H GLU 34 10.921 7.908 1.500 255 HA GLU 34 HA GLU 34 12.260 10.007 2.772 256 1HB GLU 34 2HB GLU 34 14.325 9.003 1.819 257 2HB GLU 34 1HB GLU 34 13.278 7.827 2.601 258 1HG GLU 34 2HG GLU 34 12.414 7.164 0.395 259 2HG GLU 34 1HG GLU 34 13.533 8.298 -0.359 260 H ASN 35 H ASN 35 11.836 9.300 -0.673 261 HA ASN 35 HA ASN 35 12.861 11.984 -1.306 262 1HB ASN 35 2HB ASN 35 12.987 11.036 -3.674 263 2HB ASN 35 1HB ASN 35 14.125 10.375 -2.505 264 1HD2 ASN 35 1HD2 ASN 35 14.303 8.567 -3.927 265 2HD2 ASN 35 2HD2 ASN 35 13.110 7.317 -3.899 266 H ASP 36 H ASP 36 10.142 9.831 -1.561 267 HA ASP 36 HA ASP 36 8.626 11.396 -3.401 268 1HB ASP 36 2HB ASP 36 8.104 9.070 -3.237 269 2HB ASP 36 1HB ASP 36 7.913 9.168 -1.490 270 HA PRO 37 HA PRO 37 6.955 14.765 -1.107 271 1HB PRO 37 2HB PRO 37 4.212 14.041 -1.498 272 2HB PRO 37 1HB PRO 37 5.148 15.260 -2.361 273 1HG PRO 37 2HG PRO 37 4.534 12.465 -3.123 274 2HG PRO 37 1HG PRO 37 4.868 13.869 -4.154 275 1HD PRO 37 2HD PRO 37 6.668 11.913 -3.853 276 2HD PRO 37 1HD PRO 37 7.174 13.611 -3.963 277 H GLU 38 H GLU 38 4.397 12.346 -0.594 278 HA GLU 38 HA GLU 38 5.253 11.775 2.092 279 1HB GLU 38 2HB GLU 38 4.127 14.093 2.114 280 2HB GLU 38 1HB GLU 38 2.628 13.207 1.867 281 1HG GLU 38 2HG GLU 38 2.559 12.483 3.982 282 2HG GLU 38 1HG GLU 38 4.295 12.181 4.043 283 H TRP 39 H TRP 39 4.063 10.594 -0.563 284 HA TRP 39 HA TRP 39 2.414 8.623 0.838 285 1HB TRP 39 2HB TRP 39 1.640 9.793 -1.841 286 2HB TRP 39 1HB TRP 39 0.738 8.603 -0.906 287 HD1 TRP 39 HD TRP 39 0.577 9.900 1.893 288 HE1 TRP 39 1HE TRP 39 -0.714 12.093 2.281 289 HE3 TRP 39 3HE TRP 39 0.580 11.695 -2.891 290 HZ2 TRP 39 2HZ TRP 39 -1.612 14.293 0.756 291 HZ3 TRP 39 3HZ TRP 39 -0.518 13.850 -3.345 292 HH2 TRP 39 HH TRP 39 -1.590 15.120 -1.557 293 H TRP 40 H TRP 40 2.512 6.538 0.004 294 HA TRP 40 HA TRP 40 4.603 6.137 -2.027 295 1HB TRP 40 2HB TRP 40 4.780 3.823 -0.962 296 2HB TRP 40 1HB TRP 40 5.394 5.181 -0.027 297 HD1 TRP 40 HD TRP 40 1.674 4.243 -0.199 298 HE1 TRP 40 1HE TRP 40 0.883 3.561 2.162 299 HE3 TRP 40 3HE TRP 40 6.164 4.388 2.200 300 HZ2 TRP 40 2HZ TRP 40 2.059 3.143 4.709 301 HZ3 TRP 40 3HZ TRP 40 6.255 3.845 4.594 302 HH2 TRP 40 HH TRP 40 4.235 3.242 5.821 303 H LYS 41 H LYS 41 4.320 3.756 -2.971 304 HA LYS 41 HA LYS 41 1.532 3.229 -3.609 305 1HB LYS 41 2HB LYS 41 2.181 2.983 -6.044 306 2HB LYS 41 1HB LYS 41 2.019 4.611 -5.431 307 1HG LYS 41 2HG LYS 41 3.949 4.831 -6.568 308 2HG LYS 41 1HG LYS 41 4.611 4.319 -5.021 309 1HD LYS 41 2HD LYS 41 5.690 2.947 -6.567 310 2HD LYS 41 1HD LYS 41 4.370 1.961 -5.959 311 1HE LYS 41 2HE LYS 41 4.960 2.526 -8.622 312 2HE LYS 41 1HE LYS 41 3.542 1.694 -7.989 313 1HZ LYS 41 1HZ LYS 41 2.447 3.875 -7.800 314 2HZ LYS 41 2HZ LYS 41 2.874 3.509 -9.394 315 3HZ LYS 41 3HZ LYS 41 3.796 4.610 -8.505 316 H CYS 42 H CYS 42 1.050 1.129 -3.928 317 HA CYS 42 HA CYS 42 3.285 -0.750 -4.153 318 1HB CYS 42 2HB CYS 42 1.890 -2.273 -2.603 319 2HB CYS 42 1HB CYS 42 2.799 -0.962 -1.861 320 HG CYS 42 HG CYS 42 0.112 -1.305 -1.177 321 H LYS 43 H LYS 43 2.671 -2.833 -5.047 322 HA LYS 43 HA LYS 43 0.516 -2.537 -6.977 323 1HB LYS 43 2HB LYS 43 1.518 -4.781 -7.816 324 2HB LYS 43 1HB LYS 43 2.401 -3.287 -8.086 325 1HG LYS 43 2HG LYS 43 3.905 -3.764 -6.300 326 2HG LYS 43 1HG LYS 43 2.934 -5.143 -5.779 327 1HD LYS 43 2HD LYS 43 4.928 -5.845 -7.029 328 2HD LYS 43 1HD LYS 43 3.439 -6.305 -7.856 329 1HE LYS 43 2HE LYS 43 5.297 -5.319 -9.289 330 2HE LYS 43 1HE LYS 43 3.689 -4.620 -9.474 331 1HZ LYS 43 1HZ LYS 43 5.750 -3.457 -7.691 332 2HZ LYS 43 2HZ LYS 43 4.309 -2.743 -8.214 333 3HZ LYS 43 3HZ LYS 43 5.572 -2.996 -9.309 334 H ASN 44 H ASN 44 -1.260 -3.691 -7.092 335 HA ASN 44 HA ASN 44 -1.812 -5.612 -4.939 336 1HB ASN 44 2HB ASN 44 -3.114 -3.323 -5.248 337 2HB ASN 44 1HB ASN 44 -3.970 -4.227 -6.489 338 1HD2 ASN 44 1HD2 ASN 44 -2.731 -5.071 -3.271 339 2HD2 ASN 44 2HD2 ASN 44 -4.236 -5.659 -2.660 340 H ALA 45 H ALA 45 -3.725 -7.085 -5.655 341 HA ALA 45 HA ALA 45 -2.772 -8.539 -7.918 342 1HB ALA 45 1HB ALA 45 -5.085 -9.779 -7.358 343 2HB ALA 45 2HB ALA 45 -4.826 -8.937 -5.832 344 3HB ALA 45 3HB ALA 45 -3.600 -10.048 -6.444 345 H ARG 46 H ARG 46 -4.505 -5.793 -7.788 346 HA ARG 46 HA ARG 46 -6.485 -6.388 -9.791 347 1HB ARG 46 2HB ARG 46 -7.442 -4.744 -8.610 348 2HB ARG 46 1HB ARG 46 -5.910 -4.240 -7.918 349 1HG ARG 46 2HG ARG 46 -5.474 -2.781 -9.669 350 2HG ARG 46 1HG ARG 46 -6.720 -3.479 -10.701 351 1HD ARG 46 2HD ARG 46 -7.010 -1.683 -8.321 352 2HD ARG 46 1HD ARG 46 -7.673 -1.491 -9.943 353 HE ARG 46 HE ARG 46 -8.862 -2.878 -7.756 354 1HH1 ARG 46 1HH1 ARG 46 -8.594 -2.853 -11.234 355 2HH1 ARG 46 2HH1 ARG 46 -10.120 -3.634 -11.481 356 1HH2 ARG 46 1HH2 ARG 46 -10.864 -3.906 -8.078 357 2HH2 ARG 46 2HH2 ARG 46 -11.409 -4.232 -9.688 358 H GLY 47 H GLY 47 -3.202 -5.835 -9.852 359 1HA GLY 47 2HA GLY 47 -1.873 -5.802 -11.772 360 2HA GLY 47 1HA GLY 47 -3.285 -5.360 -12.715 361 H GLN 48 H GLN 48 -3.717 -3.174 -10.570 362 HA GLN 48 HA GLN 48 -1.759 -1.282 -11.671 363 1HB GLN 48 2HB GLN 48 -4.700 -1.092 -11.319 364 2HB GLN 48 1HB GLN 48 -3.767 0.352 -10.962 365 1HG GLN 48 2HG GLN 48 -3.888 -1.150 -13.564 366 2HG GLN 48 1HG GLN 48 -4.488 0.473 -13.224 367 1HE2 GLN 48 1HE2 GLN 48 -2.836 2.071 -12.566 368 2HE2 GLN 48 2HE2 GLN 48 -1.284 1.993 -13.320 369 H VAL 49 H VAL 49 -0.716 0.063 -10.288 370 HA VAL 49 HA VAL 49 -1.392 -0.229 -7.436 371 HB VAL 49 HB VAL 49 0.699 -1.046 -7.289 372 1HG1 VAL 49 1HG1 VAL 49 1.564 0.480 -9.712 373 2HG1 VAL 49 2HG1 VAL 49 0.975 -1.182 -9.705 374 3HG1 VAL 49 3HG1 VAL 49 2.474 -0.774 -8.870 375 1HG2 VAL 49 1HG2 VAL 49 1.563 1.806 -7.662 376 2HG2 VAL 49 2HG2 VAL 49 2.330 0.568 -6.668 377 3HG2 VAL 49 3HG2 VAL 49 0.752 1.211 -6.214 378 H GLY 50 H GLY 50 -1.961 1.535 -6.394 379 1HA GLY 50 2HA GLY 50 -1.430 4.130 -7.688 380 2HA GLY 50 1HA GLY 50 -2.833 3.791 -6.700 381 H LEU 51 H LEU 51 -2.514 5.356 -5.194 382 HA LEU 51 HA LEU 51 -0.060 5.105 -3.591 383 1HB LEU 51 2HB LEU 51 -1.515 7.415 -4.609 384 2HB LEU 51 1HB LEU 51 -1.209 7.519 -2.887 385 HG LEU 51 HG LEU 51 1.130 7.517 -3.181 386 1HD1 LEU 51 1HD1 LEU 51 0.588 5.908 -5.453 387 2HD1 LEU 51 2HD1 LEU 51 2.137 6.258 -4.689 388 3HD1 LEU 51 3HD1 LEU 51 1.536 7.298 -5.978 389 1HD2 LEU 51 1HD2 LEU 51 -0.331 9.154 -5.208 390 2HD2 LEU 51 2HD2 LEU 51 1.426 9.240 -5.084 391 3HD2 LEU 51 3HD2 LEU 51 0.422 9.657 -3.695 392 H VAL 52 H VAL 52 -0.362 4.104 -1.753 393 HA VAL 52 HA VAL 52 -3.021 3.981 -0.574 394 HB VAL 52 HB VAL 52 -2.189 1.836 -0.531 395 1HG1 VAL 52 1HG1 VAL 52 0.459 3.132 -0.235 396 2HG1 VAL 52 2HG1 VAL 52 -0.076 1.928 -1.393 397 3HG1 VAL 52 3HG1 VAL 52 0.281 1.456 0.269 398 1HG2 VAL 52 1HG2 VAL 52 -2.424 2.986 1.942 399 2HG2 VAL 52 2HG2 VAL 52 -0.814 2.278 2.023 400 3HG2 VAL 52 3HG2 VAL 52 -2.205 1.264 1.641 401 HA PRO 53 HA PRO 53 -2.304 7.090 2.515 402 1HB PRO 53 2HB PRO 53 -3.972 6.134 4.432 403 2HB PRO 53 1HB PRO 53 -4.579 6.888 2.946 404 1HG PRO 53 2HG PRO 53 -4.086 3.962 3.486 405 2HG PRO 53 1HG PRO 53 -5.606 4.732 2.949 406 1HD PRO 53 2HD PRO 53 -4.054 3.635 1.149 407 2HD PRO 53 1HD PRO 53 -4.671 5.277 0.837 408 H LYS 54 H LYS 54 -0.109 6.559 3.026 409 HA LYS 54 HA LYS 54 0.782 4.403 4.472 410 1HB LYS 54 2HB LYS 54 2.725 5.699 5.028 411 2HB LYS 54 1HB LYS 54 2.228 6.020 3.372 412 1HG LYS 54 2HG LYS 54 2.387 8.144 3.911 413 2HG LYS 54 1HG LYS 54 0.873 7.929 4.780 414 1HD LYS 54 2HD LYS 54 2.044 7.508 6.834 415 2HD LYS 54 1HD LYS 54 3.602 7.517 6.002 416 1HE LYS 54 2HE LYS 54 3.276 9.879 5.435 417 2HE LYS 54 1HE LYS 54 1.726 9.865 6.276 418 1HZ LYS 54 1HZ LYS 54 4.415 9.975 7.352 419 2HZ LYS 54 2HZ LYS 54 3.360 8.942 8.177 420 3HZ LYS 54 3HZ LYS 54 2.966 10.576 7.989 421 H ASN 55 H ASN 55 -1.032 7.088 5.568 422 HA ASN 55 HA ASN 55 -0.336 6.830 8.346 423 1HB ASN 55 2HB ASN 55 -1.454 8.829 6.851 424 2HB ASN 55 1HB ASN 55 -2.860 8.178 7.686 425 1HD2 ASN 55 1HD2 ASN 55 -1.780 10.764 8.056 426 2HD2 ASN 55 2HD2 ASN 55 -1.233 10.880 9.691 427 H TYR 56 H TYR 56 -2.349 5.120 6.247 428 HA TYR 56 HA TYR 56 -4.041 4.184 8.467 429 1HB TYR 56 2HB TYR 56 -4.520 3.863 5.498 430 2HB TYR 56 1HB TYR 56 -5.624 3.418 6.790 431 HD1 TYR 56 1HD TYR 56 -6.513 5.089 4.578 432 HD2 TYR 56 2HD TYR 56 -4.633 6.205 8.224 433 HE1 TYR 56 1HE TYR 56 -7.570 7.302 4.435 434 HE2 TYR 56 2HE TYR 56 -5.684 8.424 8.095 435 HH TYR 56 HH TYR 56 -7.313 9.524 5.265 436 H VAL 57 H VAL 57 -1.220 3.359 7.435 437 HA VAL 57 HA VAL 57 -1.805 0.498 7.614 438 HB VAL 57 HB VAL 57 -0.777 -0.164 5.684 439 1HG1 VAL 57 1HG1 VAL 57 -1.633 1.040 3.879 440 2HG1 VAL 57 2HG1 VAL 57 -1.433 2.589 4.696 441 3HG1 VAL 57 3HG1 VAL 57 -2.697 1.474 5.216 442 1HG2 VAL 57 1HG2 VAL 57 1.391 0.567 5.770 443 2HG2 VAL 57 2HG2 VAL 57 0.930 2.246 6.053 444 3HG2 VAL 57 3HG2 VAL 57 0.788 1.553 4.437 445 H VAL 58 H VAL 58 0.166 -0.826 7.890 446 HA VAL 58 HA VAL 58 2.257 0.605 9.388 447 HB VAL 58 HB VAL 58 0.740 -0.669 10.907 448 1HG1 VAL 58 1HG1 VAL 58 1.863 -3.166 9.673 449 2HG1 VAL 58 2HG1 VAL 58 0.301 -2.489 9.208 450 3HG1 VAL 58 3HG1 VAL 58 0.576 -3.014 10.869 451 1HG2 VAL 58 1HG2 VAL 58 2.504 -1.755 12.169 452 2HG2 VAL 58 2HG2 VAL 58 3.099 -0.246 11.477 453 3HG2 VAL 58 3HG2 VAL 58 3.537 -1.786 10.740 454 H VAL 59 H VAL 59 4.096 0.469 8.264 455 HA VAL 59 HA VAL 59 4.481 -1.328 6.141 456 HB VAL 59 HB VAL 59 6.698 0.137 7.551 457 1HG1 VAL 59 1HG1 VAL 59 7.262 0.103 4.889 458 2HG1 VAL 59 2HG1 VAL 59 6.429 -1.438 5.084 459 3HG1 VAL 59 3HG1 VAL 59 7.859 -1.083 6.053 460 1HG2 VAL 59 1HG2 VAL 59 6.059 2.092 6.656 461 2HG2 VAL 59 2HG2 VAL 59 4.471 1.340 6.507 462 3HG2 VAL 59 3HG2 VAL 59 5.577 1.344 5.134 463 H LEU 60 H LEU 60 5.812 -3.015 5.832 464 HA LEU 60 HA LEU 60 6.524 -4.554 8.189 465 1HB LEU 60 2HB LEU 60 5.229 -5.196 5.727 466 2HB LEU 60 1HB LEU 60 6.743 -6.078 5.799 467 HG LEU 60 HG LEU 60 6.102 -7.148 7.847 468 1HD1 LEU 60 1HD1 LEU 60 3.472 -6.541 8.348 469 2HD1 LEU 60 2HD1 LEU 60 4.177 -4.969 7.973 470 3HD1 LEU 60 3HD1 LEU 60 4.861 -5.956 9.264 471 1HD2 LEU 60 1HD2 LEU 60 3.814 -7.178 5.885 472 2HD2 LEU 60 2HD2 LEU 60 4.150 -8.410 7.101 473 3HD2 LEU 60 3HD2 LEU 60 5.284 -8.146 5.776 474 H SER 61 H SER 61 8.481 -5.850 7.919 475 HA SER 61 HA SER 61 10.736 -4.286 7.425 476 1HB SER 61 2HB SER 61 11.980 -6.514 7.581 477 2HB SER 61 1HB SER 61 10.984 -6.072 8.966 478 HG SER 61 HG SER 61 10.278 -7.857 6.875
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