NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
560004 | 2m51 | 19033 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -8.531 -5.993 -13.823 2 HA2 GLY 1 1HA GLY 1 -7.788 -5.392 -11.590 3 HA3 GLY 1 2HA GLY 1 -9.304 -4.547 -11.985 4 H ARG 2 H ARG 2 -10.420 -4.466 -10.033 5 HA ARG 2 HA ARG 2 -11.060 -4.996 -7.960 6 HB2 ARG 2 1HB ARG 2 -11.964 -7.513 -9.395 7 HB3 ARG 2 2HB ARG 2 -12.425 -7.114 -7.736 8 HG2 ARG 2 1HG ARG 2 -12.970 -5.269 -10.081 9 HG3 ARG 2 2HG ARG 2 -14.117 -6.468 -9.479 10 HD2 ARG 2 1HD ARG 2 -14.324 -5.383 -7.345 11 HD3 ARG 2 2HD ARG 2 -12.935 -4.347 -7.632 12 HE ARG 2 HE ARG 2 -14.082 -2.948 -8.941 13 HH11 ARG 2 1HH1 ARG 2 -16.271 -5.531 -7.897 14 HH12 ARG 2 2HH1 ARG 2 -17.579 -5.092 -8.940 15 HH21 ARG 2 1HH2 ARG 2 -15.850 -2.201 -10.215 16 HH22 ARG 2 2HH2 ARG 2 -17.350 -3.088 -10.217 17 H ARG 3 H ARG 3 -8.584 -4.960 -7.839 18 HA ARG 3 HA ARG 3 -7.770 -7.232 -6.118 19 HB2 ARG 3 1HB ARG 3 -6.691 -6.946 -8.543 20 HB3 ARG 3 2HB ARG 3 -5.791 -5.652 -7.776 21 HG2 ARG 3 1HG ARG 3 -5.806 -8.613 -7.118 22 HG3 ARG 3 2HG ARG 3 -4.508 -7.648 -7.798 23 HD2 ARG 3 1HD ARG 3 -3.684 -7.715 -5.674 24 HD3 ARG 3 2HD ARG 3 -4.731 -6.335 -5.455 25 HE ARG 3 HE ARG 3 -5.706 -7.527 -3.805 26 HH11 ARG 3 1HH1 ARG 3 -4.085 -9.889 -5.873 27 HH12 ARG 3 2HH1 ARG 3 -4.777 -11.234 -4.992 28 HH21 ARG 3 1HH2 ARG 3 -6.742 -9.312 -2.786 29 HH22 ARG 3 2HH2 ARG 3 -6.200 -10.900 -3.248 30 H ARG 4 H ARG 4 -7.325 -6.448 -4.066 31 HA ARG 4 HA ARG 4 -6.183 -3.784 -3.701 32 HB2 ARG 4 1HB ARG 4 -8.735 -4.723 -2.274 33 HB3 ARG 4 2HB ARG 4 -7.793 -3.303 -1.815 34 HG2 ARG 4 1HG ARG 4 -8.157 -2.427 -4.199 35 HG3 ARG 4 2HG ARG 4 -9.242 -3.791 -4.412 36 HD2 ARG 4 1HD ARG 4 -10.565 -2.872 -2.440 37 HD3 ARG 4 2HD ARG 4 -9.601 -1.400 -2.615 38 HE ARG 4 HE ARG 4 -10.440 -1.814 -5.164 39 HH11 ARG 4 1HH1 ARG 4 -12.452 -2.143 -2.257 40 HH12 ARG 4 2HH1 ARG 4 -13.653 -1.012 -2.807 41 HH21 ARG 4 1HH2 ARG 4 -12.241 -0.723 -6.061 42 HH22 ARG 4 2HH2 ARG 4 -13.672 -0.504 -5.089 43 H VAL 5 H VAL 5 -5.373 -3.670 -1.356 44 HA VAL 5 HA VAL 5 -5.137 -6.290 -0.074 45 HB VAL 5 HB VAL 5 -2.722 -5.632 0.549 46 HG11 VAL 5 1HG1 VAL 5 -3.026 -7.706 -0.512 47 HG12 VAL 5 2HG1 VAL 5 -3.506 -6.977 -2.040 48 HG13 VAL 5 3HG1 VAL 5 -1.826 -6.880 -1.467 49 HG21 VAL 5 3HG2 VAL 5 -2.846 -4.222 -2.133 50 HG22 VAL 5 1HG2 VAL 5 -2.678 -3.444 -0.543 51 HG23 VAL 5 2HG2 VAL 5 -1.407 -4.517 -1.146 52 H ARG 6 H ARG 6 -4.454 -5.971 2.237 53 HA ARG 6 HA ARG 6 -5.159 -3.277 3.316 54 HB2 ARG 6 1HB ARG 6 -7.130 -4.551 3.619 55 HB3 ARG 6 2HB ARG 6 -6.279 -6.000 4.061 56 HG2 ARG 6 1HG ARG 6 -5.787 -5.246 6.225 57 HG3 ARG 6 2HG ARG 6 -6.103 -3.555 5.808 58 HD2 ARG 6 1HD ARG 6 -8.311 -5.632 5.646 59 HD3 ARG 6 2HD ARG 6 -7.898 -4.902 7.182 60 HE ARG 6 HE ARG 6 -9.290 -3.663 4.969 61 HH11 ARG 6 1HH1 ARG 6 -7.450 -2.930 7.955 62 HH12 ARG 6 2HH1 ARG 6 -7.614 -1.223 7.762 63 HH21 ARG 6 1HH2 ARG 6 -9.717 -1.415 4.916 64 HH22 ARG 6 2HH2 ARG 6 -9.049 -0.340 6.084 65 H ALA 7 H ALA 7 -3.805 -2.640 5.134 66 HA ALA 7 HA ALA 7 -1.244 -4.100 5.174 67 HB1 ALA 7 1HB ALA 7 -2.254 -1.711 6.806 68 HB2 ALA 7 2HB ALA 7 -0.583 -2.310 6.733 69 HB3 ALA 7 3HB ALA 7 -1.327 -1.601 5.295 70 H ILE 8 H ILE 8 -0.427 -5.136 7.115 71 HA ILE 8 HA ILE 8 -2.356 -5.216 9.394 72 HB ILE 8 HB ILE 8 -1.796 -7.442 9.989 73 HG12 ILE 8 1HG1 ILE 8 0.491 -7.441 8.731 74 HG13 ILE 8 2HG1 ILE 8 -0.429 -8.927 8.970 75 HG21 ILE 8 1HG2 ILE 8 -2.879 -7.304 7.155 76 HG22 ILE 8 2HG2 ILE 8 -3.112 -8.629 8.307 77 HG23 ILE 8 3HG2 ILE 8 -3.794 -7.020 8.634 78 HD11 ILE 8 3HD1 ILE 8 0.598 -8.668 6.697 79 HD12 ILE 8 1HD1 ILE 8 -1.140 -8.994 6.692 80 HD13 ILE 8 2HD1 ILE 8 -0.554 -7.352 6.394 81 H LEU 9 H LEU 9 0.463 -3.893 8.460 82 HA LEU 9 HA LEU 9 1.381 -3.531 11.216 83 HB2 LEU 9 1HB LEU 9 2.897 -4.930 9.008 84 HB3 LEU 9 2HB LEU 9 3.809 -3.829 10.023 85 HG LEU 9 HG LEU 9 2.157 -6.105 11.188 86 HD11 LEU 9 1HD1 LEU 9 4.218 -7.412 11.333 87 HD12 LEU 9 2HD1 LEU 9 5.106 -6.145 10.462 88 HD13 LEU 9 3HD1 LEU 9 3.816 -7.059 9.650 89 HD21 LEU 9 3HD2 LEU 9 2.789 -4.343 12.812 90 HD22 LEU 9 1HD2 LEU 9 4.495 -4.497 12.304 91 HD23 LEU 9 2HD2 LEU 9 3.673 -5.836 13.124 92 HA PRO 10 HA PRO 10 2.003 0.487 9.359 93 HB2 PRO 10 1HB PRO 10 3.646 1.697 11.156 94 HB3 PRO 10 2HB PRO 10 2.033 1.104 11.662 95 HG2 PRO 10 1HG PRO 10 4.706 -0.299 11.990 96 HG3 PRO 10 2HG PRO 10 3.407 -0.068 13.209 97 HD2 PRO 10 1HD PRO 10 3.702 -2.338 11.749 98 HD3 PRO 10 2HD PRO 10 2.124 -1.754 12.367 99 H TYR 11 H TYR 11 3.660 1.993 8.408 100 HA TYR 11 HA TYR 11 6.382 1.014 8.103 101 HB2 TYR 11 1HB TYR 11 5.003 -0.234 6.395 102 HB3 TYR 11 2HB TYR 11 4.535 1.316 5.710 103 HD1 TYR 11 2HD TYR 11 7.420 -0.972 6.350 104 HD2 TYR 11 1HD TYR 11 5.993 2.485 4.194 105 HE1 TYR 11 2HE TYR 11 9.435 -1.038 4.911 106 HE2 TYR 11 1HE TYR 11 7.969 2.402 2.742 107 HH TYR 11 HH TYR 11 10.013 1.404 2.340 108 H THR 12 H THR 12 7.699 2.832 8.094 109 HA THR 12 HA THR 12 6.507 5.452 7.467 110 HB THR 12 HB THR 12 7.992 5.151 9.438 111 HG1 THR 12 1HG THR 12 8.811 7.140 9.127 112 HG21 THR 12 3HG2 THR 12 9.732 3.749 8.306 113 HG22 THR 12 1HG2 THR 12 10.393 5.185 9.121 114 HG23 THR 12 2HG2 THR 12 10.197 5.171 7.351 115 H LYS 13 H LYS 13 7.085 6.625 5.604 116 HA LYS 13 HA LYS 13 8.610 5.167 3.493 117 HB2 LYS 13 1HB LYS 13 8.056 6.904 2.017 118 HB3 LYS 13 2HB LYS 13 6.568 6.312 2.718 119 HG2 LYS 13 1HG LYS 13 6.194 8.352 3.871 120 HG3 LYS 13 2HG LYS 13 7.896 8.774 3.863 121 HD2 LYS 13 1HD LYS 13 7.295 8.750 1.136 122 HD3 LYS 13 2HD LYS 13 5.809 9.362 1.874 123 HE2 LYS 13 1HE LYS 13 7.793 10.704 3.294 124 HE3 LYS 13 2HE LYS 13 8.571 10.467 1.713 125 HZ1 LYS 13 3HZ LYS 13 5.887 11.572 1.705 126 HZ2 LYS 13 1HZ LYS 13 7.220 11.929 0.772 127 HZ3 LYS 13 2HZ LYS 13 7.091 12.532 2.294 128 H VAL 14 H VAL 14 10.527 6.144 2.602 129 HA VAL 14 HA VAL 14 12.123 7.989 4.231 130 HB VAL 14 HB VAL 14 12.408 6.814 1.420 131 HG11 VAL 14 1HG1 VAL 14 13.828 8.763 1.666 132 HG12 VAL 14 2HG1 VAL 14 14.557 8.078 3.139 133 HG13 VAL 14 3HG1 VAL 14 14.778 7.309 1.554 134 HG21 VAL 14 3HG2 VAL 14 13.578 5.821 4.052 135 HG22 VAL 14 1HG2 VAL 14 12.469 4.959 2.961 136 HG23 VAL 14 2HG2 VAL 14 14.109 5.271 2.446 137 HA PRO 15 HA PRO 15 10.346 11.382 1.707 138 HB2 PRO 15 1HB PRO 15 12.063 13.391 2.313 139 HB3 PRO 15 2HB PRO 15 10.867 12.782 3.481 140 HG2 PRO 15 1HG PRO 15 13.820 12.184 3.325 141 HG3 PRO 15 2HG PRO 15 12.806 12.394 4.780 142 HD2 PRO 15 1HD PRO 15 13.527 9.935 3.743 143 HD3 PRO 15 2HD PRO 15 12.146 10.233 4.818 144 H ASP 16 H ASP 16 10.767 12.232 -0.263 145 HA ASP 16 HA ASP 16 11.736 12.767 -2.218 146 HB2 ASP 16 1HB ASP 16 13.802 13.374 -0.800 147 HB3 ASP 16 2HB ASP 16 14.479 11.841 -1.366 148 H THR 17 H THR 17 10.951 9.909 -1.135 149 HA THR 17 HA THR 17 11.828 8.430 -3.555 150 HB THR 17 HB THR 17 11.177 6.418 -2.276 151 HG1 THR 17 1HG THR 17 10.672 6.671 -0.041 152 HG21 THR 17 3HG2 THR 17 13.548 7.322 -2.157 153 HG22 THR 17 1HG2 THR 17 13.073 6.375 -0.741 154 HG23 THR 17 2HG2 THR 17 13.117 8.157 -0.659 155 H ASP 18 H ASP 18 9.930 6.795 -4.083 156 HA ASP 18 HA ASP 18 7.543 8.458 -4.662 157 HB2 ASP 18 1HB ASP 18 8.282 5.685 -5.602 158 HB3 ASP 18 2HB ASP 18 6.993 6.702 -6.244 159 H GLU 19 H GLU 19 8.414 6.917 -1.988 160 HA GLU 19 HA GLU 19 6.422 4.829 -1.617 161 HB2 GLU 19 1HB GLU 19 8.348 6.327 0.098 162 HB3 GLU 19 2HB GLU 19 7.240 5.111 0.777 163 HG2 GLU 19 1HG GLU 19 8.304 3.352 -0.467 164 HG3 GLU 19 2HG GLU 19 9.371 4.532 -1.291 165 H ILE 20 H ILE 20 4.809 4.908 -0.012 166 HA ILE 20 HA ILE 20 4.033 7.564 1.059 167 HB ILE 20 HB ILE 20 1.666 6.692 1.055 168 HG12 ILE 20 1HG1 ILE 20 2.471 4.797 -1.191 169 HG13 ILE 20 2HG1 ILE 20 2.468 4.241 0.475 170 HG21 ILE 20 1HG2 ILE 20 2.874 7.048 -1.723 171 HG22 ILE 20 2HG2 ILE 20 1.223 7.452 -1.228 172 HG23 ILE 20 3HG2 ILE 20 2.606 8.384 -0.635 173 HD11 ILE 20 3HD1 ILE 20 0.146 4.847 0.750 174 HD12 ILE 20 1HD1 ILE 20 0.062 5.452 -0.935 175 HD13 ILE 20 2HD1 ILE 20 0.336 3.730 -0.610 176 H SER 21 H SER 21 3.500 7.505 3.307 177 HA SER 21 HA SER 21 4.428 5.016 4.654 178 HB2 SER 21 1HB SER 21 4.553 6.223 6.662 179 HB3 SER 21 2HB SER 21 5.330 7.231 5.449 180 HG SER 21 HG SER 21 3.722 8.674 5.622 181 H PHE 22 H PHE 22 3.055 4.150 6.430 182 HA PHE 22 HA PHE 22 0.248 4.886 6.496 183 HB2 PHE 22 1HB PHE 22 -0.552 2.634 5.829 184 HB3 PHE 22 2HB PHE 22 0.137 3.536 4.505 185 HD1 PHE 22 1HD PHE 22 0.646 0.617 6.774 186 HD2 PHE 22 2HD PHE 22 2.114 2.771 3.323 187 HE1 PHE 22 1HE PHE 22 1.989 -1.355 6.093 188 HE2 PHE 22 2HE PHE 22 3.426 0.793 2.661 189 HZ PHE 22 HZ PHE 22 3.360 -1.279 4.020 190 H LEU 23 H LEU 23 -0.896 3.461 8.037 191 HA LEU 23 HA LEU 23 0.923 2.267 10.084 192 HB2 LEU 23 1HB LEU 23 -1.684 3.790 10.378 193 HB3 LEU 23 2HB LEU 23 -0.954 2.857 11.669 194 HG LEU 23 HG LEU 23 0.980 4.727 10.420 195 HD11 LEU 23 1HD1 LEU 23 -1.440 5.907 11.816 196 HD12 LEU 23 2HD1 LEU 23 -0.946 6.162 10.137 197 HD13 LEU 23 3HD1 LEU 23 0.072 6.767 11.452 198 HD21 LEU 23 3HD2 LEU 23 1.431 3.482 12.469 199 HD22 LEU 23 1HD2 LEU 23 0.049 4.261 13.282 200 HD23 LEU 23 2HD2 LEU 23 1.453 5.223 12.781 201 H LYS 24 H LYS 24 -0.306 0.584 11.413 202 HA LYS 24 HA LYS 24 -1.598 -1.406 9.741 203 HB2 LYS 24 1HB LYS 24 -0.365 -1.992 11.842 204 HB3 LYS 24 2HB LYS 24 -1.566 -1.079 12.770 205 HG2 LYS 24 1HG LYS 24 -3.356 -2.617 11.944 206 HG3 LYS 24 2HG LYS 24 -2.139 -3.523 11.048 207 HD2 LYS 24 1HD LYS 24 -0.975 -3.981 13.277 208 HD3 LYS 24 2HD LYS 24 -2.341 -3.172 14.066 209 HE2 LYS 24 1HE LYS 24 -3.799 -4.877 12.663 210 HE3 LYS 24 2HE LYS 24 -2.289 -5.771 12.488 211 HZ1 LYS 24 3HZ LYS 24 -3.739 -5.151 14.998 212 HZ2 LYS 24 1HZ LYS 24 -2.196 -5.722 14.984 213 HZ3 LYS 24 2HZ LYS 24 -3.417 -6.614 14.355 214 H GLY 25 H GLY 25 -3.607 -1.070 8.914 215 HA2 GLY 25 1HA GLY 25 -5.911 -0.986 9.699 216 HA3 GLY 25 2HA GLY 25 -5.574 0.659 10.311 217 H ASP 26 H ASP 26 -3.700 0.784 7.653 218 HA ASP 26 HA ASP 26 -5.820 1.896 5.998 219 HB2 ASP 26 1HB ASP 26 -2.814 1.704 5.795 220 HB3 ASP 26 2HB ASP 26 -3.746 2.074 4.349 221 H MET 27 H MET 27 -5.996 1.450 3.754 222 HA MET 27 HA MET 27 -5.556 -1.312 2.815 223 HB2 MET 27 1HB MET 27 -8.169 0.028 3.180 224 HB3 MET 27 2HB MET 27 -7.875 -0.414 1.499 225 HG2 MET 27 1HG MET 27 -7.428 -2.715 2.100 226 HG3 MET 27 2HG MET 27 -7.509 -2.312 3.809 227 HE1 MET 27 3HE MET 27 -9.870 -1.354 0.725 228 HE2 MET 27 1HE MET 27 -9.402 -3.058 0.505 229 HE3 MET 27 2HE MET 27 -11.088 -2.633 0.880 230 H PHE 28 H PHE 28 -5.344 -1.435 0.515 231 HA PHE 28 HA PHE 28 -4.766 1.125 -0.862 232 HB2 PHE 28 1HB PHE 28 -2.958 -1.306 -1.025 233 HB3 PHE 28 2HB PHE 28 -2.672 0.303 -1.640 234 HD1 PHE 28 1HD PHE 28 -2.648 2.250 0.174 235 HD2 PHE 28 2HD PHE 28 -1.871 -1.924 0.969 236 HE1 PHE 28 1HE PHE 28 -1.534 2.850 2.317 237 HE2 PHE 28 2HE PHE 28 -0.744 -1.312 3.080 238 HZ PHE 28 HZ PHE 28 -0.663 1.048 3.793 239 H ILE 29 H ILE 29 -4.660 0.811 -3.201 240 HA ILE 29 HA ILE 29 -6.240 -1.512 -4.175 241 HB ILE 29 HB ILE 29 -7.447 -0.077 -5.627 242 HG12 ILE 29 1HG1 ILE 29 -5.540 2.137 -4.750 243 HG13 ILE 29 2HG1 ILE 29 -5.815 1.503 -6.380 244 HG21 ILE 29 1HG2 ILE 29 -8.022 -0.180 -3.104 245 HG22 ILE 29 2HG2 ILE 29 -7.388 1.461 -3.012 246 HG23 ILE 29 3HG2 ILE 29 -8.782 1.107 -4.058 247 HD11 ILE 29 3HD1 ILE 29 -8.173 2.392 -6.225 248 HD12 ILE 29 1HD1 ILE 29 -7.690 3.203 -4.722 249 HD13 ILE 29 2HD1 ILE 29 -6.869 3.616 -6.244 250 H VAL 30 H VAL 30 -5.414 -2.504 -6.104 251 HA VAL 30 HA VAL 30 -2.648 -1.804 -6.636 252 HB VAL 30 HB VAL 30 -4.536 -3.694 -8.110 253 HG11 VAL 30 1HG1 VAL 30 -2.673 -3.038 -9.610 254 HG12 VAL 30 2HG1 VAL 30 -1.492 -3.366 -8.321 255 HG13 VAL 30 3HG1 VAL 30 -2.433 -4.687 -9.037 256 HG21 VAL 30 3HG2 VAL 30 -2.312 -4.167 -6.073 257 HG22 VAL 30 1HG2 VAL 30 -4.039 -4.346 -5.743 258 HG23 VAL 30 2HG2 VAL 30 -3.222 -5.427 -6.896 259 H HIS 31 H HIS 31 -1.895 -0.417 -8.079 260 HA HIS 31 HA HIS 31 -3.643 0.406 -10.340 261 HB2 HIS 31 1HB HIS 31 -2.327 2.065 -8.263 262 HB3 HIS 31 2HB HIS 31 -1.998 2.582 -9.893 263 HD1 HIS 31 1HD HIS 31 -4.690 2.435 -11.413 264 HD2 HIS 31 2HD HIS 31 -4.201 3.496 -7.365 265 HE1 HIS 31 1HE HIS 31 -6.661 3.909 -10.827 266 H ASN 32 H ASN 32 -0.356 -0.512 -9.205 267 HA ASN 32 HA ASN 32 -0.020 -1.546 -11.842 268 HB2 ASN 32 1HB ASN 32 0.984 0.776 -12.075 269 HB3 ASN 32 2HB ASN 32 2.205 0.302 -10.875 270 HD21 ASN 32 1HD2 ASN 32 3.954 0.475 -12.326 271 HD22 ASN 32 2HD2 ASN 32 4.187 -0.776 -13.522 272 H GLU 33 H GLU 33 1.929 -2.833 -11.947 273 HA GLU 33 HA GLU 33 2.603 -4.174 -9.355 274 HB2 GLU 33 1HB GLU 33 2.199 -5.277 -12.166 275 HB3 GLU 33 2HB GLU 33 3.083 -6.166 -10.917 276 HG2 GLU 33 1HG GLU 33 1.164 -6.198 -9.443 277 HG3 GLU 33 2HG GLU 33 0.254 -5.121 -10.496 278 H LEU 34 H LEU 34 4.722 -4.359 -8.882 279 HA LEU 34 HA LEU 34 6.805 -3.759 -10.876 280 HB2 LEU 34 1HB LEU 34 6.709 -2.712 -8.020 281 HB3 LEU 34 2HB LEU 34 8.071 -2.553 -9.102 282 HG LEU 34 HG LEU 34 5.359 -1.419 -9.887 283 HD11 LEU 34 1HD1 LEU 34 5.992 0.703 -8.940 284 HD12 LEU 34 2HD1 LEU 34 7.439 -0.017 -8.199 285 HD13 LEU 34 3HD1 LEU 34 5.820 -0.539 -7.685 286 HD21 LEU 34 3HD2 LEU 34 8.164 -0.452 -10.535 287 HD22 LEU 34 1HD2 LEU 34 6.622 0.029 -11.290 288 HD23 LEU 34 2HD2 LEU 34 7.269 -1.606 -11.541 289 H GLU 35 H GLU 35 9.012 -4.573 -9.612 290 HA GLU 35 HA GLU 35 8.235 -7.423 -9.188 291 HB2 GLU 35 1HB GLU 35 10.248 -6.092 -11.042 292 HB3 GLU 35 2HB GLU 35 10.052 -7.833 -10.879 293 HG2 GLU 35 1HG GLU 35 7.847 -7.789 -11.851 294 HG3 GLU 35 2HG GLU 35 7.741 -6.034 -11.740 295 H ASP 36 H ASP 36 9.405 -5.390 -7.378 296 HA ASP 36 HA ASP 36 11.826 -6.851 -6.453 297 HB2 ASP 36 1HB ASP 36 12.274 -4.693 -7.698 298 HB3 ASP 36 2HB ASP 36 11.511 -3.844 -6.347 299 H GLY 37 H GLY 37 8.982 -7.000 -5.504 300 HA2 GLY 37 1HA GLY 37 8.135 -7.473 -3.418 301 HA3 GLY 37 2HA GLY 37 9.367 -6.519 -2.622 302 H TRP 38 H TRP 38 7.821 -4.942 -5.297 303 HA TRP 38 HA TRP 38 6.429 -3.109 -3.403 304 HB2 TRP 38 1HB TRP 38 8.370 -2.597 -5.701 305 HB3 TRP 38 2HB TRP 38 7.312 -1.352 -5.063 306 HD1 TRP 38 HD TRP 38 10.622 -3.004 -4.304 307 HE1 TRP 38 1HE TRP 38 11.646 -1.935 -2.212 308 HE3 TRP 38 3HE TRP 38 6.570 -0.397 -2.716 309 HZ2 TRP 38 2HZ TRP 38 10.780 -0.142 -0.087 310 HZ3 TRP 38 3HZ TRP 38 6.653 0.980 -0.657 311 HH2 TRP 38 HH TRP 38 8.753 1.126 0.652 312 H MET 39 H MET 39 4.663 -1.893 -4.290 313 HA MET 39 HA MET 39 3.712 -2.502 -7.036 314 HB2 MET 39 1HB MET 39 2.095 -2.783 -4.469 315 HB3 MET 39 2HB MET 39 1.386 -2.768 -6.080 316 HG2 MET 39 1HG MET 39 2.232 -4.863 -6.657 317 HG3 MET 39 2HG MET 39 3.484 -4.842 -5.424 318 HE1 MET 39 3HE MET 39 3.311 -5.202 -3.041 319 HE2 MET 39 1HE MET 39 1.990 -4.099 -2.642 320 HE3 MET 39 2HE MET 39 1.892 -5.808 -2.153 321 H TRP 40 H TRP 40 2.513 -0.732 -7.893 322 HA TRP 40 HA TRP 40 2.481 1.779 -6.329 323 HB2 TRP 40 1HB TRP 40 3.061 1.618 -8.839 324 HB3 TRP 40 2HB TRP 40 1.339 1.340 -9.098 325 HD1 TRP 40 HD TRP 40 -0.327 3.405 -8.233 326 HE1 TRP 40 1HE TRP 40 0.049 5.913 -8.118 327 HE3 TRP 40 3HE TRP 40 4.723 3.369 -8.584 328 HZ2 TRP 40 2HZ TRP 40 2.386 7.730 -8.035 329 HZ3 TRP 40 3HZ TRP 40 6.047 5.492 -8.390 330 HH2 TRP 40 HH TRP 40 4.881 7.645 -8.082 331 H VAL 41 H VAL 41 0.684 2.681 -5.458 332 HA VAL 41 HA VAL 41 -1.962 1.446 -5.939 333 HB VAL 41 HB VAL 41 -2.299 1.174 -3.552 334 HG11 VAL 41 1HG1 VAL 41 -1.312 -0.752 -4.802 335 HG12 VAL 41 2HG1 VAL 41 0.292 -0.272 -4.212 336 HG13 VAL 41 3HG1 VAL 41 -0.965 -0.765 -3.069 337 HG21 VAL 41 3HG2 VAL 41 -0.740 2.984 -2.743 338 HG22 VAL 41 1HG2 VAL 41 -0.575 1.466 -1.864 339 HG23 VAL 41 2HG2 VAL 41 0.625 1.910 -3.093 340 H THR 42 H THR 42 -3.451 2.676 -4.123 341 HA THR 42 HA THR 42 -2.664 5.460 -3.825 342 HB THR 42 HB THR 42 -5.498 4.595 -4.522 343 HG1 THR 42 1HG THR 42 -3.569 5.992 -6.065 344 HG21 THR 42 3HG2 THR 42 -5.459 6.633 -3.085 345 HG22 THR 42 1HG2 THR 42 -6.090 6.919 -4.708 346 HG23 THR 42 2HG2 THR 42 -4.451 7.444 -4.301 347 H ASN 43 H ASN 43 -3.416 6.216 -1.760 348 HA ASN 43 HA ASN 43 -4.205 4.086 0.176 349 HB2 ASN 43 1HB ASN 43 -1.969 5.041 0.514 350 HB3 ASN 43 2HB ASN 43 -2.661 6.651 0.718 351 HD21 ASN 43 1HD2 ASN 43 -1.167 5.646 2.979 352 HD22 ASN 43 2HD2 ASN 43 -2.330 5.092 4.161 353 H LEU 44 H LEU 44 -6.248 4.222 0.470 354 HA LEU 44 HA LEU 44 -8.058 6.271 0.030 355 HB2 LEU 44 1HB LEU 44 -8.492 4.273 2.248 356 HB3 LEU 44 2HB LEU 44 -9.661 4.937 1.123 357 HG LEU 44 HG LEU 44 -7.488 2.927 0.384 358 HD11 LEU 44 1HD1 LEU 44 -10.448 2.475 0.846 359 HD12 LEU 44 2HD1 LEU 44 -9.163 2.053 1.987 360 HD13 LEU 44 3HD1 LEU 44 -9.222 1.253 0.412 361 HD21 LEU 44 3HD2 LEU 44 -9.912 3.885 -1.206 362 HD22 LEU 44 1HD2 LEU 44 -8.717 2.657 -1.708 363 HD23 LEU 44 2HD2 LEU 44 -8.235 4.336 -1.529 364 H ARG 45 H ARG 45 -5.805 6.183 2.674 365 HA ARG 45 HA ARG 45 -7.417 7.375 4.700 366 HB2 ARG 45 1HB ARG 45 -5.090 6.275 4.897 367 HB3 ARG 45 2HB ARG 45 -4.423 7.805 4.315 368 HG2 ARG 45 1HG ARG 45 -5.591 8.944 6.280 369 HG3 ARG 45 2HG ARG 45 -6.113 7.345 6.811 370 HD2 ARG 45 1HD ARG 45 -4.169 7.940 8.096 371 HD3 ARG 45 2HD ARG 45 -3.734 6.645 6.976 372 HE ARG 45 HE ARG 45 -2.151 8.007 6.079 373 HH11 ARG 45 1HH1 ARG 45 -4.434 10.132 7.792 374 HH12 ARG 45 2HH1 ARG 45 -3.528 11.578 7.440 375 HH21 ARG 45 1HH2 ARG 45 -1.002 9.874 5.643 376 HH22 ARG 45 2HH2 ARG 45 -1.622 11.450 5.980 377 H THR 46 H THR 46 -5.684 8.748 1.941 378 HA THR 46 HA THR 46 -6.749 11.448 2.405 379 HB THR 46 HB THR 46 -4.892 11.132 3.998 380 HG1 THR 46 1HG THR 46 -4.020 13.124 2.306 381 HG21 THR 46 3HG2 THR 46 -3.193 11.055 1.530 382 HG22 THR 46 1HG2 THR 46 -3.348 9.766 2.742 383 HG23 THR 46 2HG2 THR 46 -2.574 11.301 3.180 384 H ASP 47 H ASP 47 -6.606 9.126 0.352 385 HA ASP 47 HA ASP 47 -6.388 8.708 -1.800 386 HB2 ASP 47 1HB ASP 47 -8.084 10.548 -1.909 387 HB3 ASP 47 2HB ASP 47 -6.787 11.671 -2.299 388 H GLU 48 H GLU 48 -4.025 9.004 -0.366 389 HA GLU 48 HA GLU 48 -2.081 10.574 -1.902 390 HB2 GLU 48 1HB GLU 48 -2.151 9.060 0.626 391 HB3 GLU 48 2HB GLU 48 -0.694 8.689 -0.290 392 HG2 GLU 48 1HG GLU 48 -1.670 11.549 0.118 393 HG3 GLU 48 2HG GLU 48 -0.659 10.689 1.265 394 H GLN 49 H GLN 49 -0.175 9.535 -2.873 395 HA GLN 49 HA GLN 49 -0.866 6.930 -4.196 396 HB2 GLN 49 1HB GLN 49 -0.270 9.563 -5.628 397 HB3 GLN 49 2HB GLN 49 -0.315 7.987 -6.427 398 HG2 GLN 49 1HG GLN 49 -2.689 7.709 -5.809 399 HG3 GLN 49 2HG GLN 49 -2.666 9.256 -4.970 400 HE21 GLN 49 1HE2 GLN 49 -4.132 8.163 -7.660 401 HE22 GLN 49 2HE2 GLN 49 -3.928 9.668 -8.537 402 H GLY 50 H GLY 50 0.870 5.794 -5.029 403 HA2 GLY 50 1HA GLY 50 3.421 6.152 -5.528 404 HA3 GLY 50 2HA GLY 50 3.455 6.571 -3.816 405 H LEU 51 H LEU 51 4.833 4.813 -3.513 406 HA LEU 51 HA LEU 51 3.948 2.105 -4.216 407 HB2 LEU 51 1HB LEU 51 6.610 3.240 -3.241 408 HB3 LEU 51 2HB LEU 51 6.356 1.578 -3.744 409 HG LEU 51 HG LEU 51 6.004 4.010 -5.545 410 HD11 LEU 51 1HD1 LEU 51 7.996 3.252 -6.697 411 HD12 LEU 51 2HD1 LEU 51 8.172 1.872 -5.578 412 HD13 LEU 51 3HD1 LEU 51 8.371 3.534 -4.992 413 HD21 LEU 51 3HD2 LEU 51 6.007 2.196 -7.317 414 HD22 LEU 51 1HD2 LEU 51 4.540 2.322 -6.341 415 HD23 LEU 51 2HD2 LEU 51 5.717 1.025 -6.011 416 H ILE 52 H ILE 52 3.894 0.347 -2.876 417 HA ILE 52 HA ILE 52 4.559 0.608 -0.036 418 HB ILE 52 HB ILE 52 2.594 -0.550 0.741 419 HG12 ILE 52 1HG1 ILE 52 0.627 -0.339 -1.238 420 HG13 ILE 52 2HG1 ILE 52 2.035 -0.909 -2.137 421 HG21 ILE 52 1HG2 ILE 52 0.958 1.229 0.591 422 HG22 ILE 52 2HG2 ILE 52 2.591 1.911 0.727 423 HG23 ILE 52 3HG2 ILE 52 1.767 1.899 -0.844 424 HD11 ILE 52 3HD1 ILE 52 2.237 -2.821 -0.555 425 HD12 ILE 52 1HD1 ILE 52 0.862 -2.179 0.375 426 HD13 ILE 52 2HD1 ILE 52 0.619 -2.756 -1.286 427 H VAL 53 H VAL 53 5.101 -1.397 0.937 428 HA VAL 53 HA VAL 53 6.228 -3.298 -0.967 429 HB VAL 53 HB VAL 53 7.506 -2.027 0.825 430 HG11 VAL 53 1HG1 VAL 53 6.389 -4.097 2.755 431 HG12 VAL 53 2HG1 VAL 53 7.571 -2.815 3.097 432 HG13 VAL 53 3HG1 VAL 53 5.886 -2.408 2.721 433 HG21 VAL 53 3HG2 VAL 53 8.512 -3.913 -0.323 434 HG22 VAL 53 1HG2 VAL 53 9.019 -3.863 1.367 435 HG23 VAL 53 2HG2 VAL 53 7.802 -5.049 0.845 436 H GLU 54 H GLU 54 5.873 -5.540 -0.910 437 HA GLU 54 HA GLU 54 3.268 -6.324 0.051 438 HB2 GLU 54 1HB GLU 54 3.568 -8.321 -1.178 439 HB3 GLU 54 2HB GLU 54 4.150 -6.951 -2.119 440 HG2 GLU 54 1HG GLU 54 6.505 -7.587 -1.515 441 HG3 GLU 54 2HG GLU 54 5.877 -9.050 -0.771 442 H ASP 55 H ASP 55 6.177 -6.257 1.654 443 HA ASP 55 HA ASP 55 6.245 -8.713 3.056 444 HB2 ASP 55 1HB ASP 55 8.115 -7.145 2.874 445 HB3 ASP 55 2HB ASP 55 7.247 -5.954 3.815 446 H LEU 56 H LEU 56 4.135 -6.064 3.440 447 HA LEU 56 HA LEU 56 3.458 -6.755 6.281 448 HB2 LEU 56 1HB LEU 56 3.630 -4.036 4.941 449 HB3 LEU 56 2HB LEU 56 3.190 -4.314 6.624 450 HG LEU 56 HG LEU 56 5.912 -4.935 5.398 451 HD11 LEU 56 1HD1 LEU 56 5.490 -2.549 5.578 452 HD12 LEU 56 2HD1 LEU 56 6.663 -3.060 6.806 453 HD13 LEU 56 3HD1 LEU 56 4.977 -2.729 7.272 454 HD21 LEU 56 3HD2 LEU 56 6.646 -5.309 7.727 455 HD22 LEU 56 1HD2 LEU 56 5.419 -6.483 7.276 456 HD23 LEU 56 2HD2 LEU 56 4.995 -5.090 8.299 457 H VAL 57 H VAL 57 1.942 -7.409 3.610 458 HA VAL 57 HA VAL 57 -0.641 -6.119 4.381 459 HB VAL 57 HB VAL 57 -1.196 -5.917 2.052 460 HG11 VAL 57 1HG1 VAL 57 0.211 -4.083 1.451 461 HG12 VAL 57 2HG1 VAL 57 0.000 -4.059 3.211 462 HG13 VAL 57 3HG1 VAL 57 1.523 -4.640 2.502 463 HG21 VAL 57 3HG2 VAL 57 0.463 -6.264 0.243 464 HG22 VAL 57 1HG2 VAL 57 1.588 -6.977 1.417 465 HG23 VAL 57 2HG2 VAL 57 0.053 -7.780 1.050 466 H GLU 58 H GLU 58 -2.583 -7.195 3.413 467 HA GLU 58 HA GLU 58 -2.362 -10.131 3.109 468 HB2 GLU 58 1HB GLU 58 -4.567 -10.350 4.164 469 HB3 GLU 58 2HB GLU 58 -3.361 -9.749 5.310 470 HG2 GLU 58 1HG GLU 58 -4.293 -7.632 5.411 471 HG3 GLU 58 2HG GLU 58 -5.043 -7.728 3.851 472 H GLU 59 H GLU 59 -3.812 -10.982 1.688 473 HA GLU 59 HA GLU 59 -4.287 -9.318 -0.655 474 HB2 GLU 59 1HB GLU 59 -4.564 -11.476 -1.824 475 HB3 GLU 59 2HB GLU 59 -3.087 -11.468 -0.878 476 HG2 GLU 59 1HG GLU 59 -3.771 -13.086 0.543 477 HG3 GLU 59 2HG GLU 59 -5.411 -12.481 0.619 478 H VAL 60 H VAL 60 -6.032 -8.453 1.119 479 HA VAL 60 HA VAL 60 -8.468 -9.777 1.266 480 HB VAL 60 HB VAL 60 -7.546 -7.780 2.523 481 HG11 VAL 60 1HG1 VAL 60 -8.188 -5.538 1.859 482 HG12 VAL 60 2HG1 VAL 60 -7.237 -6.299 0.558 483 HG13 VAL 60 3HG1 VAL 60 -8.998 -6.142 0.406 484 HG21 VAL 60 3HG2 VAL 60 -9.642 -7.038 3.329 485 HG22 VAL 60 1HG2 VAL 60 -10.489 -7.590 1.859 486 HG23 VAL 60 2HG2 VAL 60 -9.759 -8.766 2.977 487 H GLY 61 H GLY 61 -10.495 -9.459 0.302 488 HA2 GLY 61 1HA GLY 61 -10.458 -8.873 -2.613 489 HA3 GLY 61 2HA GLY 61 -11.606 -9.886 -1.738 490 H ARG 62 H ARG 62 -11.062 -6.998 -0.061 491 HA ARG 62 HA ARG 62 -13.757 -5.998 -0.600 492 HB2 ARG 62 1HB ARG 62 -11.503 -5.139 1.273 493 HB3 ARG 62 2HB ARG 62 -13.058 -4.308 1.195 494 HG2 ARG 62 1HG ARG 62 -14.270 -6.175 2.021 495 HG3 ARG 62 2HG ARG 62 -12.929 -7.280 1.748 496 HD2 ARG 62 1HD ARG 62 -13.115 -6.923 4.089 497 HD3 ARG 62 2HD ARG 62 -11.619 -6.171 3.534 498 HE ARG 62 HE ARG 62 -13.433 -4.113 3.463 499 HH11 ARG 62 1HH1 ARG 62 -12.531 -6.436 6.069 500 HH12 ARG 62 2HH1 ARG 62 -12.791 -5.316 7.329 501 HH21 ARG 62 1HH2 ARG 62 -13.656 -2.576 5.208 502 HH22 ARG 62 2HH2 ARG 62 -13.495 -3.125 6.843 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -13.882 -1.453 -9.368 2 HA2 GLY 1 1HA GLY 1 -11.616 -0.960 -8.782 3 HA3 GLY 1 2HA GLY 1 -11.868 -1.790 -7.224 4 H ARG 2 H ARG 2 -9.713 -2.512 -8.910 5 HA ARG 2 HA ARG 2 -10.677 -5.045 -10.139 6 HB2 ARG 2 1HB ARG 2 -9.337 -3.060 -11.377 7 HB3 ARG 2 2HB ARG 2 -7.960 -4.017 -10.827 8 HG2 ARG 2 1HG ARG 2 -9.008 -6.031 -11.891 9 HG3 ARG 2 2HG ARG 2 -10.326 -5.002 -12.480 10 HD2 ARG 2 1HD ARG 2 -7.383 -4.626 -13.139 11 HD3 ARG 2 2HD ARG 2 -8.544 -5.455 -14.180 12 HE ARG 2 HE ARG 2 -9.824 -3.162 -13.961 13 HH11 ARG 2 1HH1 ARG 2 -6.237 -3.450 -14.263 14 HH12 ARG 2 2HH1 ARG 2 -6.186 -2.207 -15.488 15 HH21 ARG 2 1HH2 ARG 2 -9.590 -1.434 -15.492 16 HH22 ARG 2 2HH2 ARG 2 -8.014 -1.074 -16.125 17 H ARG 3 H ARG 3 -7.460 -4.080 -8.644 18 HA ARG 3 HA ARG 3 -7.838 -6.364 -6.834 19 HB2 ARG 3 1HB ARG 3 -5.768 -6.131 -8.849 20 HB3 ARG 3 2HB ARG 3 -5.028 -5.997 -7.273 21 HG2 ARG 3 1HG ARG 3 -6.919 -8.223 -8.027 22 HG3 ARG 3 2HG ARG 3 -5.184 -8.353 -8.144 23 HD2 ARG 3 1HD ARG 3 -6.773 -7.760 -5.647 24 HD3 ARG 3 2HD ARG 3 -6.101 -9.350 -6.056 25 HE ARG 3 HE ARG 3 -4.972 -7.690 -4.372 26 HH11 ARG 3 1HH1 ARG 3 -3.457 -8.205 -7.634 27 HH12 ARG 3 2HH1 ARG 3 -1.989 -8.723 -6.921 28 HH21 ARG 3 1HH2 ARG 3 -3.109 -8.719 -3.598 29 HH22 ARG 3 2HH2 ARG 3 -1.692 -8.669 -4.600 30 H ARG 4 H ARG 4 -6.680 -6.085 -4.851 31 HA ARG 4 HA ARG 4 -5.784 -3.421 -3.975 32 HB2 ARG 4 1HB ARG 4 -8.267 -4.810 -2.913 33 HB3 ARG 4 2HB ARG 4 -7.557 -3.344 -2.228 34 HG2 ARG 4 1HG ARG 4 -8.040 -2.230 -4.532 35 HG3 ARG 4 2HG ARG 4 -9.013 -3.663 -4.881 36 HD2 ARG 4 1HD ARG 4 -9.888 -2.920 -2.373 37 HD3 ARG 4 2HD ARG 4 -9.542 -1.350 -3.131 38 HE ARG 4 HE ARG 4 -11.276 -1.633 -4.558 39 HH11 ARG 4 1HH1 ARG 4 -10.595 -4.897 -3.392 40 HH12 ARG 4 2HH1 ARG 4 -12.196 -5.407 -3.166 41 HH21 ARG 4 1HH2 ARG 4 -13.424 -2.318 -4.662 42 HH22 ARG 4 2HH2 ARG 4 -13.955 -3.838 -4.019 43 H VAL 5 H VAL 5 -5.209 -3.551 -1.569 44 HA VAL 5 HA VAL 5 -5.162 -6.139 -0.295 45 HB VAL 5 HB VAL 5 -2.736 -5.987 0.295 46 HG11 VAL 5 1HG1 VAL 5 -3.088 -6.412 -2.681 47 HG12 VAL 5 2HG1 VAL 5 -1.876 -7.116 -1.608 48 HG13 VAL 5 3HG1 VAL 5 -3.569 -7.588 -1.429 49 HG21 VAL 5 3HG2 VAL 5 -1.174 -4.776 -1.157 50 HG22 VAL 5 1HG2 VAL 5 -2.513 -4.053 -2.061 51 HG23 VAL 5 2HG2 VAL 5 -2.266 -3.650 -0.346 52 H ARG 6 H ARG 6 -4.022 -5.685 2.023 53 HA ARG 6 HA ARG 6 -4.831 -2.989 3.035 54 HB2 ARG 6 1HB ARG 6 -6.792 -4.231 3.389 55 HB3 ARG 6 2HB ARG 6 -5.899 -5.724 3.667 56 HG2 ARG 6 1HG ARG 6 -5.233 -5.041 5.859 57 HG3 ARG 6 2HG ARG 6 -5.964 -3.445 5.663 58 HD2 ARG 6 1HD ARG 6 -7.722 -5.853 5.147 59 HD3 ARG 6 2HD ARG 6 -7.239 -5.597 6.797 60 HE ARG 6 HE ARG 6 -9.033 -3.898 5.225 61 HH11 ARG 6 1HH1 ARG 6 -6.971 -4.135 8.131 62 HH12 ARG 6 2HH1 ARG 6 -7.718 -2.811 8.948 63 HH21 ARG 6 1HH2 ARG 6 -10.113 -2.293 6.355 64 HH22 ARG 6 2HH2 ARG 6 -9.710 -1.816 7.988 65 H ALA 7 H ALA 7 -3.546 -2.327 4.836 66 HA ALA 7 HA ALA 7 -1.041 -3.708 5.243 67 HB1 ALA 7 1HB ALA 7 -0.778 -1.883 6.982 68 HB2 ALA 7 2HB ALA 7 -1.186 -1.244 5.391 69 HB3 ALA 7 3HB ALA 7 -2.436 -1.362 6.632 70 H ILE 8 H ILE 8 -0.528 -5.169 6.823 71 HA ILE 8 HA ILE 8 -2.337 -5.304 9.199 72 HB ILE 8 HB ILE 8 -1.612 -7.476 9.671 73 HG12 ILE 8 1HG1 ILE 8 0.721 -7.187 8.433 74 HG13 ILE 8 2HG1 ILE 8 -0.019 -8.733 8.816 75 HG21 ILE 8 1HG2 ILE 8 -3.559 -7.175 8.367 76 HG22 ILE 8 2HG2 ILE 8 -2.659 -7.229 6.845 77 HG23 ILE 8 3HG2 ILE 8 -2.762 -8.675 7.882 78 HD11 ILE 8 3HD1 ILE 8 -0.417 -7.402 6.147 79 HD12 ILE 8 1HD1 ILE 8 0.939 -8.507 6.474 80 HD13 ILE 8 2HD1 ILE 8 -0.733 -9.090 6.572 81 H LEU 9 H LEU 9 0.575 -3.967 8.202 82 HA LEU 9 HA LEU 9 1.493 -3.650 10.973 83 HB2 LEU 9 1HB LEU 9 2.949 -5.105 8.763 84 HB3 LEU 9 2HB LEU 9 3.894 -4.140 9.886 85 HG LEU 9 HG LEU 9 2.010 -6.341 10.828 86 HD11 LEU 9 1HD1 LEU 9 4.974 -6.531 10.225 87 HD12 LEU 9 2HD1 LEU 9 3.660 -7.344 9.345 88 HD13 LEU 9 3HD1 LEU 9 3.990 -7.776 11.026 89 HD21 LEU 9 3HD2 LEU 9 4.365 -4.938 12.170 90 HD22 LEU 9 1HD2 LEU 9 3.409 -6.260 12.866 91 HD23 LEU 9 2HD2 LEU 9 2.646 -4.698 12.575 92 HA PRO 10 HA PRO 10 2.350 0.349 9.116 93 HB2 PRO 10 1HB PRO 10 3.754 1.544 11.098 94 HB3 PRO 10 2HB PRO 10 2.075 0.995 11.399 95 HG2 PRO 10 1HG PRO 10 4.643 -0.475 12.075 96 HG3 PRO 10 2HG PRO 10 3.242 -0.154 13.140 97 HD2 PRO 10 1HD PRO 10 3.557 -2.499 11.787 98 HD3 PRO 10 2HD PRO 10 1.954 -1.795 12.157 99 H TYR 11 H TYR 11 4.250 1.793 8.468 100 HA TYR 11 HA TYR 11 6.933 0.608 8.500 101 HB2 TYR 11 1HB TYR 11 5.675 -0.478 6.604 102 HB3 TYR 11 2HB TYR 11 5.349 1.093 5.948 103 HD1 TYR 11 1HD TYR 11 7.964 -1.456 6.496 104 HD2 TYR 11 2HD TYR 11 6.997 2.308 4.650 105 HE1 TYR 11 1HE TYR 11 9.982 -1.632 5.071 106 HE2 TYR 11 2HE TYR 11 8.989 2.118 3.200 107 HH TYR 11 HH TYR 11 10.947 0.845 2.709 108 H THR 12 H THR 12 8.432 2.276 7.286 109 HA THR 12 HA THR 12 7.401 5.067 7.592 110 HB THR 12 HB THR 12 10.103 3.804 8.200 111 HG1 THR 12 1HG THR 12 9.427 3.915 10.122 112 HG21 THR 12 3HG2 THR 12 10.612 5.931 7.158 113 HG22 THR 12 1HG2 THR 12 10.816 6.089 8.895 114 HG23 THR 12 2HG2 THR 12 9.360 6.755 8.109 115 H LYS 13 H LYS 13 7.081 5.856 5.462 116 HA LYS 13 HA LYS 13 8.548 4.897 3.203 117 HB2 LYS 13 1HB LYS 13 7.746 6.836 2.036 118 HB3 LYS 13 2HB LYS 13 6.440 6.194 3.018 119 HG2 LYS 13 1HG LYS 13 6.784 7.961 4.704 120 HG3 LYS 13 2HG LYS 13 8.134 8.613 3.788 121 HD2 LYS 13 1HD LYS 13 5.820 8.333 2.060 122 HD3 LYS 13 2HD LYS 13 5.403 9.236 3.514 123 HE2 LYS 13 1HE LYS 13 7.558 10.612 2.971 124 HE3 LYS 13 2HE LYS 13 7.404 9.893 1.356 125 HZ1 LYS 13 3HZ LYS 13 5.356 11.475 2.797 126 HZ2 LYS 13 1HZ LYS 13 5.051 10.732 1.400 127 HZ3 LYS 13 2HZ LYS 13 6.163 11.963 1.441 128 H VAL 14 H VAL 14 10.276 5.897 2.083 129 HA VAL 14 HA VAL 14 12.192 7.601 3.535 130 HB VAL 14 HB VAL 14 13.207 6.105 1.960 131 HG11 VAL 14 1HG1 VAL 14 11.045 6.545 0.010 132 HG12 VAL 14 2HG1 VAL 14 12.620 5.775 -0.357 133 HG13 VAL 14 3HG1 VAL 14 11.577 5.097 0.855 134 HG21 VAL 14 3HG2 VAL 14 14.368 7.354 0.410 135 HG22 VAL 14 1HG2 VAL 14 13.257 8.725 0.656 136 HG23 VAL 14 2HG2 VAL 14 14.276 8.114 1.983 137 HA PRO 15 HA PRO 15 9.804 11.195 2.114 138 HB2 PRO 15 1HB PRO 15 11.578 13.201 2.664 139 HB3 PRO 15 2HB PRO 15 10.717 12.309 3.941 140 HG2 PRO 15 1HG PRO 15 13.539 11.900 2.932 141 HG3 PRO 15 2HG PRO 15 12.951 11.891 4.631 142 HD2 PRO 15 1HD PRO 15 13.418 9.625 3.203 143 HD3 PRO 15 2HD PRO 15 12.204 9.736 4.503 144 H ASP 16 H ASP 16 9.922 12.841 0.459 145 HA ASP 16 HA ASP 16 10.257 13.559 -1.654 146 HB2 ASP 16 1HB ASP 16 13.060 13.618 -0.535 147 HB3 ASP 16 2HB ASP 16 12.648 14.304 -2.115 148 H THR 17 H THR 17 9.728 11.005 -1.682 149 HA THR 17 HA THR 17 11.210 9.765 -3.872 150 HB THR 17 HB THR 17 10.844 7.578 -2.314 151 HG1 THR 17 1HG THR 17 11.483 9.610 -0.467 152 HG21 THR 17 3HG2 THR 17 13.076 7.625 -1.364 153 HG22 THR 17 1HG2 THR 17 13.277 9.333 -1.831 154 HG23 THR 17 2HG2 THR 17 13.098 8.086 -3.096 155 H ASP 18 H ASP 18 9.878 7.573 -4.363 156 HA ASP 18 HA ASP 18 7.234 8.612 -4.966 157 HB2 ASP 18 1HB ASP 18 8.453 5.934 -5.701 158 HB3 ASP 18 2HB ASP 18 7.087 6.742 -6.473 159 H GLU 19 H GLU 19 8.189 7.271 -2.169 160 HA GLU 19 HA GLU 19 5.992 5.297 -1.791 161 HB2 GLU 19 1HB GLU 19 8.421 6.142 -0.160 162 HB3 GLU 19 2HB GLU 19 7.149 5.095 0.487 163 HG2 GLU 19 1HG GLU 19 7.567 3.394 -1.152 164 HG3 GLU 19 2HG GLU 19 8.664 4.444 -2.059 165 H ILE 20 H ILE 20 4.732 5.413 0.147 166 HA ILE 20 HA ILE 20 3.971 8.109 1.092 167 HB ILE 20 HB ILE 20 1.601 7.477 0.668 168 HG12 ILE 20 1HG1 ILE 20 1.364 5.976 -1.485 169 HG13 ILE 20 2HG1 ILE 20 2.823 5.196 -0.966 170 HG21 ILE 20 1HG2 ILE 20 2.875 9.117 -0.657 171 HG22 ILE 20 2HG2 ILE 20 3.325 7.837 -1.802 172 HG23 ILE 20 3HG2 ILE 20 1.629 8.306 -1.599 173 HD11 ILE 20 3HD1 ILE 20 0.522 4.200 -0.295 174 HD12 ILE 20 1HD1 ILE 20 1.752 4.293 0.966 175 HD13 ILE 20 2HD1 ILE 20 0.466 5.498 0.920 176 H SER 21 H SER 21 3.452 8.061 3.362 177 HA SER 21 HA SER 21 4.292 5.637 4.633 178 HB2 SER 21 1HB SER 21 3.370 7.239 6.664 179 HB3 SER 21 2HB SER 21 5.001 7.207 6.009 180 HG SER 21 HG SER 21 4.390 9.282 6.014 181 H PHE 22 H PHE 22 3.075 4.276 6.105 182 HA PHE 22 HA PHE 22 0.165 4.659 6.236 183 HB2 PHE 22 1HB PHE 22 -0.208 2.347 5.429 184 HB3 PHE 22 2HB PHE 22 0.360 3.444 4.187 185 HD1 PHE 22 2HD PHE 22 1.368 0.578 6.385 186 HD2 PHE 22 1HD PHE 22 2.426 3.051 3.010 187 HE1 PHE 22 2HE PHE 22 3.192 -0.991 5.786 188 HE2 PHE 22 1HE PHE 22 4.250 1.472 2.430 189 HZ PHE 22 HZ PHE 22 4.608 -0.569 3.794 190 H LEU 23 H LEU 23 -0.831 3.355 7.747 191 HA LEU 23 HA LEU 23 0.929 2.225 9.893 192 HB2 LEU 23 1HB LEU 23 -1.892 3.348 9.876 193 HB3 LEU 23 2HB LEU 23 -1.386 2.294 11.160 194 HG LEU 23 HG LEU 23 -1.249 4.566 11.839 195 HD11 LEU 23 1HD1 LEU 23 1.563 3.437 11.652 196 HD12 LEU 23 2HD1 LEU 23 0.312 2.869 12.788 197 HD13 LEU 23 3HD1 LEU 23 0.914 4.525 12.882 198 HD21 LEU 23 3HD2 LEU 23 0.982 5.047 9.832 199 HD22 LEU 23 1HD2 LEU 23 0.289 6.200 10.976 200 HD23 LEU 23 2HD2 LEU 23 -0.689 5.613 9.628 201 H LYS 24 H LYS 24 -0.183 0.370 11.069 202 HA LYS 24 HA LYS 24 -1.119 -1.809 9.427 203 HB2 LYS 24 1HB LYS 24 -0.248 -2.252 11.657 204 HB3 LYS 24 2HB LYS 24 -1.408 -1.145 12.399 205 HG2 LYS 24 1HG LYS 24 -3.270 -2.596 11.883 206 HG3 LYS 24 2HG LYS 24 -2.264 -3.607 10.849 207 HD2 LYS 24 1HD LYS 24 -0.878 -4.139 12.958 208 HD3 LYS 24 2HD LYS 24 -2.170 -3.393 13.894 209 HE2 LYS 24 1HE LYS 24 -2.583 -5.633 11.866 210 HE3 LYS 24 2HE LYS 24 -2.282 -5.933 13.577 211 HZ1 LYS 24 3HZ LYS 24 -4.589 -4.306 12.662 212 HZ2 LYS 24 1HZ LYS 24 -4.329 -4.950 14.139 213 HZ3 LYS 24 2HZ LYS 24 -4.665 -5.925 12.877 214 H GLY 25 H GLY 25 -3.171 -2.144 8.627 215 HA2 GLY 25 1HA GLY 25 -5.444 -2.128 8.690 216 HA3 GLY 25 2HA GLY 25 -5.436 -0.827 9.882 217 H ASP 26 H ASP 26 -3.402 0.424 7.541 218 HA ASP 26 HA ASP 26 -5.494 1.930 6.177 219 HB2 ASP 26 1HB ASP 26 -2.500 1.614 5.789 220 HB3 ASP 26 2HB ASP 26 -3.487 2.420 4.583 221 H MET 27 H MET 27 -5.957 1.693 3.801 222 HA MET 27 HA MET 27 -5.633 -1.088 2.850 223 HB2 MET 27 1HB MET 27 -7.867 -0.364 3.785 224 HB3 MET 27 2HB MET 27 -8.014 0.679 2.343 225 HG2 MET 27 1HG MET 27 -7.395 -1.443 1.026 226 HG3 MET 27 2HG MET 27 -7.551 -2.282 2.561 227 HE1 MET 27 3HE MET 27 -10.428 -2.933 -0.254 228 HE2 MET 27 1HE MET 27 -8.893 -2.094 -0.579 229 HE3 MET 27 2HE MET 27 -8.901 -3.562 0.409 230 H PHE 28 H PHE 28 -5.274 -1.317 0.660 231 HA PHE 28 HA PHE 28 -4.461 1.147 -0.831 232 HB2 PHE 28 1HB PHE 28 -3.019 -1.513 -0.818 233 HB3 PHE 28 2HB PHE 28 -2.494 -0.009 -1.537 234 HD1 PHE 28 1HD PHE 28 -2.330 2.058 0.229 235 HD2 PHE 28 2HD PHE 28 -1.986 -2.143 1.190 236 HE1 PHE 28 1HE PHE 28 -1.084 2.619 2.301 237 HE2 PHE 28 2HE PHE 28 -0.706 -1.573 3.213 238 HZ PHE 28 HZ PHE 28 -0.304 0.767 3.805 239 H ILE 29 H ILE 29 -4.692 1.088 -3.075 240 HA ILE 29 HA ILE 29 -6.210 -1.220 -4.178 241 HB ILE 29 HB ILE 29 -7.279 0.217 -5.706 242 HG12 ILE 29 1HG1 ILE 29 -5.485 2.454 -4.679 243 HG13 ILE 29 2HG1 ILE 29 -5.563 1.788 -6.318 244 HG21 ILE 29 1HG2 ILE 29 -8.716 1.411 -4.223 245 HG22 ILE 29 2HG2 ILE 29 -8.049 0.088 -3.261 246 HG23 ILE 29 3HG2 ILE 29 -7.401 1.719 -3.065 247 HD11 ILE 29 3HD1 ILE 29 -6.708 3.830 -6.415 248 HD12 ILE 29 1HD1 ILE 29 -7.976 2.575 -6.401 249 HD13 ILE 29 2HD1 ILE 29 -7.628 3.496 -4.927 250 H VAL 30 H VAL 30 -5.348 -2.301 -5.946 251 HA VAL 30 HA VAL 30 -2.535 -1.862 -6.386 252 HB VAL 30 HB VAL 30 -4.622 -3.873 -7.319 253 HG11 VAL 30 1HG1 VAL 30 -3.092 -3.597 -9.274 254 HG12 VAL 30 2HG1 VAL 30 -1.737 -4.060 -8.236 255 HG13 VAL 30 3HG1 VAL 30 -3.040 -5.194 -8.514 256 HG21 VAL 30 3HG2 VAL 30 -2.084 -4.091 -5.658 257 HG22 VAL 30 1HG2 VAL 30 -3.744 -4.092 -5.035 258 HG23 VAL 30 2HG2 VAL 30 -3.165 -5.425 -6.048 259 H HIS 31 H HIS 31 -1.653 -0.566 -7.907 260 HA HIS 31 HA HIS 31 -3.324 0.203 -10.259 261 HB2 HIS 31 1HB HIS 31 -1.921 1.930 -8.303 262 HB3 HIS 31 2HB HIS 31 -1.501 2.262 -9.981 263 HD1 HIS 31 1HD HIS 31 -3.921 2.358 -11.627 264 HD2 HIS 31 2HD HIS 31 -3.846 3.481 -7.567 265 HE1 HIS 31 1HE HIS 31 -5.965 3.846 -11.261 266 H ASN 32 H ASN 32 0.044 -0.341 -9.055 267 HA ASN 32 HA ASN 32 0.580 -1.571 -11.653 268 HB2 ASN 32 1HB ASN 32 1.467 0.755 -11.869 269 HB3 ASN 32 2HB ASN 32 2.627 0.405 -10.575 270 HD21 ASN 32 1HD2 ASN 32 4.634 0.331 -11.818 271 HD22 ASN 32 2HD2 ASN 32 4.813 -0.954 -12.994 272 H GLU 33 H GLU 33 2.488 -2.831 -11.652 273 HA GLU 33 HA GLU 33 2.790 -4.223 -9.017 274 HB2 GLU 33 1HB GLU 33 2.025 -5.354 -11.742 275 HB3 GLU 33 2HB GLU 33 2.389 -6.307 -10.286 276 HG2 GLU 33 1HG GLU 33 0.622 -5.057 -9.067 277 HG3 GLU 33 2HG GLU 33 0.147 -4.247 -10.566 278 H LEU 34 H LEU 34 4.796 -4.423 -8.504 279 HA LEU 34 HA LEU 34 6.884 -4.329 -10.657 280 HB2 LEU 34 1HB LEU 34 7.064 -3.361 -7.811 281 HB3 LEU 34 2HB LEU 34 8.281 -3.160 -9.027 282 HG LEU 34 HG LEU 34 5.548 -1.971 -9.635 283 HD11 LEU 34 1HD1 LEU 34 5.907 -1.330 -7.320 284 HD12 LEU 34 2HD1 LEU 34 6.073 0.038 -8.427 285 HD13 LEU 34 3HD1 LEU 34 7.528 -0.725 -7.719 286 HD21 LEU 34 3HD2 LEU 34 6.897 -0.259 -10.699 287 HD22 LEU 34 1HD2 LEU 34 7.375 -1.863 -11.286 288 HD23 LEU 34 2HD2 LEU 34 8.390 -1.001 -10.099 289 H GLU 35 H GLU 35 8.705 -5.557 -10.442 290 HA GLU 35 HA GLU 35 8.122 -8.231 -9.446 291 HB2 GLU 35 1HB GLU 35 10.357 -7.092 -11.214 292 HB3 GLU 35 2HB GLU 35 10.115 -8.811 -10.877 293 HG2 GLU 35 1HG GLU 35 7.693 -8.412 -11.742 294 HG3 GLU 35 2HG GLU 35 8.361 -6.939 -12.484 295 H ASP 36 H ASP 36 9.111 -6.079 -7.697 296 HA ASP 36 HA ASP 36 11.410 -7.464 -6.442 297 HB2 ASP 36 1HB ASP 36 12.582 -5.434 -5.938 298 HB3 ASP 36 2HB ASP 36 12.372 -5.691 -7.679 299 H GLY 37 H GLY 37 8.457 -7.331 -5.892 300 HA2 GLY 37 1HA GLY 37 7.448 -7.858 -3.898 301 HA3 GLY 37 2HA GLY 37 8.772 -7.147 -2.981 302 H TRP 38 H TRP 38 7.353 -5.234 -5.556 303 HA TRP 38 HA TRP 38 6.284 -3.371 -3.491 304 HB2 TRP 38 1HB TRP 38 8.187 -2.908 -5.811 305 HB3 TRP 38 2HB TRP 38 7.229 -1.608 -5.111 306 HD1 TRP 38 HD TRP 38 10.307 -3.680 -4.405 307 HE1 TRP 38 1HE TRP 38 11.489 -2.808 -2.356 308 HE3 TRP 38 3HE TRP 38 6.720 -0.473 -2.842 309 HZ2 TRP 38 2HZ TRP 38 10.834 -0.977 -0.109 310 HZ3 TRP 38 3HZ TRP 38 6.938 0.796 -0.747 311 HH2 TRP 38 HH TRP 38 9.024 0.572 0.636 312 H MET 39 H MET 39 4.628 -1.977 -4.134 313 HA MET 39 HA MET 39 3.291 -2.519 -6.734 314 HB2 MET 39 1HB MET 39 2.082 -2.616 -3.971 315 HB3 MET 39 2HB MET 39 1.127 -2.600 -5.422 316 HG2 MET 39 1HG MET 39 1.979 -4.736 -6.165 317 HG3 MET 39 2HG MET 39 3.126 -4.812 -4.825 318 HE1 MET 39 3HE MET 39 1.189 -5.630 -1.740 319 HE2 MET 39 1HE MET 39 2.735 -5.254 -2.524 320 HE3 MET 39 2HE MET 39 1.564 -3.962 -2.220 321 H TRP 40 H TRP 40 2.600 -0.761 -7.542 322 HA TRP 40 HA TRP 40 2.653 1.858 -6.107 323 HB2 TRP 40 1HB TRP 40 3.262 1.580 -8.577 324 HB3 TRP 40 2HB TRP 40 1.537 1.341 -8.881 325 HD1 TRP 40 HD TRP 40 -0.080 3.496 -7.984 326 HE1 TRP 40 1HE TRP 40 0.391 5.989 -8.072 327 HE3 TRP 40 3HE TRP 40 4.944 3.219 -8.469 328 HZ2 TRP 40 2HZ TRP 40 2.826 7.704 -8.054 329 HZ3 TRP 40 3HZ TRP 40 6.362 5.286 -8.418 330 HH2 TRP 40 HH TRP 40 5.297 7.505 -8.184 331 H VAL 41 H VAL 41 0.871 2.684 -5.053 332 HA VAL 41 HA VAL 41 -1.827 1.678 -5.777 333 HB VAL 41 HB VAL 41 -2.291 1.256 -3.433 334 HG11 VAL 41 1HG1 VAL 41 0.342 -0.157 -4.038 335 HG12 VAL 41 2HG1 VAL 41 -0.951 -0.721 -2.985 336 HG13 VAL 41 3HG1 VAL 41 -1.225 -0.616 -4.730 337 HG21 VAL 41 3HG2 VAL 41 -0.666 1.457 -1.641 338 HG22 VAL 41 1HG2 VAL 41 0.599 1.955 -2.775 339 HG23 VAL 41 2HG2 VAL 41 -0.781 3.015 -2.441 340 H THR 42 H THR 42 -3.483 2.888 -4.388 341 HA THR 42 HA THR 42 -2.676 5.679 -3.761 342 HB THR 42 HB THR 42 -5.532 4.729 -4.142 343 HG1 THR 42 1HG THR 42 -3.731 5.559 -6.093 344 HG21 THR 42 3HG2 THR 42 -6.045 7.121 -4.363 345 HG22 THR 42 1HG2 THR 42 -4.340 7.526 -4.107 346 HG23 THR 42 2HG2 THR 42 -5.274 6.771 -2.812 347 H ASN 43 H ASN 43 -2.931 6.145 -1.575 348 HA ASN 43 HA ASN 43 -3.814 3.977 0.280 349 HB2 ASN 43 1HB ASN 43 -1.657 5.120 0.758 350 HB3 ASN 43 2HB ASN 43 -2.525 6.658 0.909 351 HD21 ASN 43 1HD2 ASN 43 -1.188 6.085 3.180 352 HD22 ASN 43 2HD2 ASN 43 -2.183 5.307 4.393 353 H LEU 44 H LEU 44 -5.909 4.066 0.757 354 HA LEU 44 HA LEU 44 -7.557 6.306 -0.040 355 HB2 LEU 44 1HB LEU 44 -8.234 3.938 1.739 356 HB3 LEU 44 2HB LEU 44 -9.373 5.057 0.997 357 HG LEU 44 HG LEU 44 -7.622 3.002 -0.393 358 HD11 LEU 44 1HD1 LEU 44 -10.634 3.433 -0.296 359 HD12 LEU 44 2HD1 LEU 44 -9.754 2.190 0.603 360 HD13 LEU 44 3HD1 LEU 44 -9.841 2.150 -1.188 361 HD21 LEU 44 3HD2 LEU 44 -7.562 4.937 -1.854 362 HD22 LEU 44 1HD2 LEU 44 -9.316 5.169 -1.651 363 HD23 LEU 44 2HD2 LEU 44 -8.692 3.753 -2.535 364 H ARG 45 H ARG 45 -5.551 6.071 2.695 365 HA ARG 45 HA ARG 45 -7.224 7.248 4.693 366 HB2 ARG 45 1HB ARG 45 -4.915 6.171 5.012 367 HB3 ARG 45 2HB ARG 45 -4.221 7.664 4.357 368 HG2 ARG 45 1HG ARG 45 -5.489 8.918 6.218 369 HG3 ARG 45 2HG ARG 45 -5.947 7.336 6.851 370 HD2 ARG 45 1HD ARG 45 -4.049 7.979 8.114 371 HD3 ARG 45 2HD ARG 45 -3.471 6.768 6.958 372 HE ARG 45 HE ARG 45 -2.086 8.298 6.006 373 HH11 ARG 45 1HH1 ARG 45 -4.385 10.215 8.039 374 HH12 ARG 45 2HH1 ARG 45 -3.659 11.695 7.577 375 HH21 ARG 45 1HH2 ARG 45 -1.174 10.245 5.529 376 HH22 ARG 45 2HH2 ARG 45 -1.662 11.739 6.286 377 H THR 46 H THR 46 -5.046 8.688 2.180 378 HA THR 46 HA THR 46 -6.407 11.296 2.652 379 HB THR 46 HB THR 46 -3.961 12.181 2.335 380 HG1 THR 46 1HG THR 46 -2.395 10.832 2.966 381 HG21 THR 46 3HG2 THR 46 -3.649 12.130 4.737 382 HG22 THR 46 1HG2 THR 46 -4.757 10.738 4.884 383 HG23 THR 46 2HG2 THR 46 -5.375 12.334 4.396 384 H ASP 47 H ASP 47 -5.769 9.003 0.315 385 HA ASP 47 HA ASP 47 -6.030 8.989 -1.898 386 HB2 ASP 47 1HB ASP 47 -7.574 11.054 -1.525 387 HB3 ASP 47 2HB ASP 47 -6.198 12.010 -2.107 388 H GLU 48 H GLU 48 -3.528 9.824 -0.229 389 HA GLU 48 HA GLU 48 -1.595 10.850 -2.095 390 HB2 GLU 48 1HB GLU 48 -1.492 9.093 0.387 391 HB3 GLU 48 2HB GLU 48 -0.033 9.519 -0.515 392 HG2 GLU 48 1HG GLU 48 -0.292 11.853 -0.045 393 HG3 GLU 48 2HG GLU 48 -1.940 11.620 0.558 394 H GLN 49 H GLN 49 -0.077 9.637 -3.332 395 HA GLN 49 HA GLN 49 -0.893 6.867 -4.074 396 HB2 GLN 49 1HB GLN 49 -0.221 9.223 -5.898 397 HB3 GLN 49 2HB GLN 49 -0.462 7.571 -6.454 398 HG2 GLN 49 1HG GLN 49 -2.798 7.621 -6.025 399 HG3 GLN 49 2HG GLN 49 -2.659 9.037 -4.982 400 HE21 GLN 49 1HE2 GLN 49 -3.990 8.288 -7.892 401 HE22 GLN 49 2HE2 GLN 49 -3.788 9.876 -8.609 402 H GLY 50 H GLY 50 0.813 5.539 -4.525 403 HA2 GLY 50 1HA GLY 50 3.370 6.108 -5.357 404 HA3 GLY 50 2HA GLY 50 3.408 6.483 -3.632 405 H LEU 51 H LEU 51 5.020 4.777 -3.820 406 HA LEU 51 HA LEU 51 4.216 2.014 -4.259 407 HB2 LEU 51 1HB LEU 51 6.771 3.343 -3.259 408 HB3 LEU 51 2HB LEU 51 6.634 1.622 -3.590 409 HG LEU 51 HG LEU 51 6.264 3.841 -5.649 410 HD11 LEU 51 1HD1 LEU 51 8.570 1.880 -5.293 411 HD12 LEU 51 2HD1 LEU 51 8.611 3.605 -4.877 412 HD13 LEU 51 3HD1 LEU 51 8.401 3.115 -6.565 413 HD21 LEU 51 3HD2 LEU 51 4.950 1.896 -6.282 414 HD22 LEU 51 1HD2 LEU 51 6.305 0.808 -5.907 415 HD23 LEU 51 2HD2 LEU 51 6.404 1.950 -7.268 416 H ILE 52 H ILE 52 4.060 0.376 -2.815 417 HA ILE 52 HA ILE 52 4.814 0.644 -0.027 418 HB ILE 52 HB ILE 52 2.796 -0.305 0.863 419 HG12 ILE 52 1HG1 ILE 52 0.788 -0.095 -1.094 420 HG13 ILE 52 2HG1 ILE 52 2.137 -0.827 -1.959 421 HG21 ILE 52 1HG2 ILE 52 1.946 2.065 -0.833 422 HG22 ILE 52 2HG2 ILE 52 1.237 1.515 0.702 423 HG23 ILE 52 3HG2 ILE 52 2.889 2.171 0.659 424 HD11 ILE 52 3HD1 ILE 52 0.543 -2.458 -0.901 425 HD12 ILE 52 1HD1 ILE 52 2.202 -2.649 -0.292 426 HD13 ILE 52 2HD1 ILE 52 0.982 -1.814 0.691 427 H VAL 53 H VAL 53 4.784 -1.711 0.937 428 HA VAL 53 HA VAL 53 5.955 -3.457 -1.147 429 HB VAL 53 HB VAL 53 7.476 -2.321 0.400 430 HG11 VAL 53 1HG1 VAL 53 6.084 -2.099 2.406 431 HG12 VAL 53 2HG1 VAL 53 6.139 -3.856 2.661 432 HG13 VAL 53 3HG1 VAL 53 7.614 -2.879 2.776 433 HG21 VAL 53 3HG2 VAL 53 7.414 -5.330 0.802 434 HG22 VAL 53 1HG2 VAL 53 8.194 -4.429 -0.515 435 HG23 VAL 53 2HG2 VAL 53 8.784 -4.266 1.138 436 H GLU 54 H GLU 54 5.578 -5.707 -1.126 437 HA GLU 54 HA GLU 54 3.018 -6.467 -0.087 438 HB2 GLU 54 1HB GLU 54 3.216 -8.432 -1.334 439 HB3 GLU 54 2HB GLU 54 3.852 -7.112 -2.298 440 HG2 GLU 54 1HG GLU 54 6.192 -7.907 -1.664 441 HG3 GLU 54 2HG GLU 54 5.431 -9.307 -0.899 442 H ASP 55 H ASP 55 6.018 -6.463 1.331 443 HA ASP 55 HA ASP 55 6.138 -8.822 2.872 444 HB2 ASP 55 1HB ASP 55 8.055 -7.397 2.677 445 HB3 ASP 55 2HB ASP 55 7.162 -5.988 3.246 446 H LEU 56 H LEU 56 4.107 -6.011 3.260 447 HA LEU 56 HA LEU 56 3.489 -6.767 6.096 448 HB2 LEU 56 1HB LEU 56 3.722 -4.024 4.809 449 HB3 LEU 56 2HB LEU 56 3.306 -4.336 6.503 450 HG LEU 56 HG LEU 56 5.967 -4.946 5.180 451 HD11 LEU 56 1HD1 LEU 56 5.086 -2.888 7.241 452 HD12 LEU 56 2HD1 LEU 56 5.637 -2.597 5.566 453 HD13 LEU 56 3HD1 LEU 56 6.767 -3.230 6.773 454 HD21 LEU 56 3HD2 LEU 56 5.570 -6.643 6.907 455 HD22 LEU 56 1HD2 LEU 56 5.060 -5.389 8.067 456 HD23 LEU 56 2HD2 LEU 56 6.732 -5.473 7.496 457 H VAL 57 H VAL 57 1.916 -7.279 3.411 458 HA VAL 57 HA VAL 57 -0.605 -5.988 4.325 459 HB VAL 57 HB VAL 57 -1.266 -5.776 1.985 460 HG11 VAL 57 1HG1 VAL 57 0.110 -3.904 1.397 461 HG12 VAL 57 2HG1 VAL 57 -0.116 -3.898 3.154 462 HG13 VAL 57 3HG1 VAL 57 1.426 -4.437 2.456 463 HG21 VAL 57 3HG2 VAL 57 0.021 -7.592 0.956 464 HG22 VAL 57 1HG2 VAL 57 0.415 -6.056 0.188 465 HG23 VAL 57 2HG2 VAL 57 1.540 -6.776 1.360 466 H GLU 58 H GLU 58 -2.591 -7.010 3.548 467 HA GLU 58 HA GLU 58 -2.480 -9.953 3.308 468 HB2 GLU 58 1HB GLU 58 -4.437 -10.157 4.665 469 HB3 GLU 58 2HB GLU 58 -3.220 -9.292 5.580 470 HG2 GLU 58 1HG GLU 58 -4.393 -7.140 5.038 471 HG3 GLU 58 2HG GLU 58 -5.615 -8.053 4.150 472 H GLU 59 H GLU 59 -3.764 -10.900 1.920 473 HA GLU 59 HA GLU 59 -4.927 -9.400 -0.224 474 HB2 GLU 59 1HB GLU 59 -4.527 -12.298 0.514 475 HB3 GLU 59 2HB GLU 59 -5.819 -11.943 -0.644 476 HG2 GLU 59 1HG GLU 59 -3.100 -10.711 -1.048 477 HG3 GLU 59 2HG GLU 59 -3.375 -12.390 -1.494 478 H VAL 60 H VAL 60 -6.521 -8.132 0.646 479 HA VAL 60 HA VAL 60 -8.191 -9.184 2.700 480 HB VAL 60 HB VAL 60 -7.361 -7.098 2.888 481 HG11 VAL 60 1HG1 VAL 60 -8.994 -6.042 0.540 482 HG12 VAL 60 2HG1 VAL 60 -7.895 -5.116 1.576 483 HG13 VAL 60 3HG1 VAL 60 -7.252 -6.331 0.483 484 HG21 VAL 60 3HG2 VAL 60 -9.321 -5.766 3.489 485 HG22 VAL 60 1HG2 VAL 60 -10.342 -6.896 2.563 486 HG23 VAL 60 2HG2 VAL 60 -9.445 -7.464 3.991 487 H GLY 61 H GLY 61 -9.732 -10.379 2.474 488 HA2 GLY 61 1HA GLY 61 -11.116 -10.928 0.043 489 HA3 GLY 61 2HA GLY 61 -11.502 -11.608 1.624 490 H ARG 62 H ARG 62 -11.725 -8.341 2.049 491 HA ARG 62 HA ARG 62 -14.344 -8.289 2.732 492 HB2 ARG 62 1HB ARG 62 -14.265 -6.062 3.096 493 HB3 ARG 62 2HB ARG 62 -12.603 -6.612 3.317 494 HG2 ARG 62 1HG ARG 62 -12.350 -5.907 0.768 495 HG3 ARG 62 2HG ARG 62 -13.824 -4.963 1.074 496 HD2 ARG 62 1HD ARG 62 -11.326 -4.959 2.746 497 HD3 ARG 62 2HD ARG 62 -11.640 -3.757 1.499 498 HE ARG 62 HE ARG 62 -12.881 -4.072 4.161 499 HH11 ARG 62 1HH1 ARG 62 -13.084 -2.235 1.124 500 HH12 ARG 62 2HH1 ARG 62 -13.467 -0.737 1.921 501 HH21 ARG 62 1HH2 ARG 62 -13.442 -2.105 5.207 502 HH22 ARG 62 2HH2 ARG 62 -13.661 -0.661 4.316 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -7.485 -1.014 -9.172 2 HA2 GLY 1 1HA GLY 1 -8.966 -2.109 -10.779 3 HA3 GLY 1 2HA GLY 1 -7.764 -3.401 -10.915 4 H ARG 2 H ARG 2 -9.902 -4.561 -10.344 5 HA ARG 2 HA ARG 2 -11.023 -4.504 -7.772 6 HB2 ARG 2 1HB ARG 2 -12.322 -6.296 -8.505 7 HB3 ARG 2 2HB ARG 2 -11.893 -5.460 -9.982 8 HG2 ARG 2 1HG ARG 2 -9.847 -7.368 -9.752 9 HG3 ARG 2 2HG ARG 2 -11.228 -8.190 -9.042 10 HD2 ARG 2 1HD ARG 2 -11.377 -8.813 -11.261 11 HD3 ARG 2 2HD ARG 2 -12.510 -7.464 -11.200 12 HE ARG 2 HE ARG 2 -11.146 -6.235 -12.569 13 HH11 ARG 2 1HH1 ARG 2 -9.248 -9.069 -11.391 14 HH12 ARG 2 2HH1 ARG 2 -8.120 -8.944 -12.706 15 HH21 ARG 2 1HH2 ARG 2 -9.342 -5.945 -14.032 16 HH22 ARG 2 2HH2 ARG 2 -7.948 -6.982 -13.872 17 H ARG 3 H ARG 3 -7.967 -4.989 -7.784 18 HA ARG 3 HA ARG 3 -7.837 -7.333 -5.984 19 HB2 ARG 3 1HB ARG 3 -6.501 -7.346 -8.234 20 HB3 ARG 3 2HB ARG 3 -5.485 -6.116 -7.504 21 HG2 ARG 3 1HG ARG 3 -5.957 -8.969 -6.586 22 HG3 ARG 3 2HG ARG 3 -4.510 -8.337 -7.320 23 HD2 ARG 3 1HD ARG 3 -3.629 -7.962 -5.297 24 HD3 ARG 3 2HD ARG 3 -4.862 -6.770 -4.964 25 HE ARG 3 HE ARG 3 -5.929 -8.271 -3.575 26 HH11 ARG 3 1HH1 ARG 3 -3.280 -9.977 -5.243 27 HH12 ARG 3 2HH1 ARG 3 -3.646 -11.505 -4.535 28 HH21 ARG 3 1HH2 ARG 3 -6.685 -10.437 -3.035 29 HH22 ARG 3 2HH2 ARG 3 -5.693 -11.802 -3.411 30 H ARG 4 H ARG 4 -7.650 -6.556 -3.896 31 HA ARG 4 HA ARG 4 -6.181 -4.016 -3.443 32 HB2 ARG 4 1HB ARG 4 -8.925 -4.859 -2.446 33 HB3 ARG 4 2HB ARG 4 -7.877 -3.903 -1.410 34 HG2 ARG 4 1HG ARG 4 -8.186 -2.009 -2.546 35 HG3 ARG 4 2HG ARG 4 -7.878 -2.791 -4.095 36 HD2 ARG 4 1HD ARG 4 -9.899 -1.706 -4.224 37 HD3 ARG 4 2HD ARG 4 -10.185 -3.457 -4.305 38 HE ARG 4 HE ARG 4 -10.587 -1.695 -1.906 39 HH11 ARG 4 1HH1 ARG 4 -11.748 -4.356 -3.928 40 HH12 ARG 4 2HH1 ARG 4 -13.170 -4.529 -3.013 41 HH21 ARG 4 1HH2 ARG 4 -12.721 -1.908 -0.858 42 HH22 ARG 4 2HH2 ARG 4 -13.698 -3.287 -1.337 43 H VAL 5 H VAL 5 -5.296 -3.879 -1.270 44 HA VAL 5 HA VAL 5 -4.905 -6.443 0.106 45 HB VAL 5 HB VAL 5 -2.507 -6.153 0.242 46 HG11 VAL 5 1HG1 VAL 5 -3.417 -7.559 -1.579 47 HG12 VAL 5 2HG1 VAL 5 -3.325 -6.163 -2.693 48 HG13 VAL 5 3HG1 VAL 5 -1.852 -6.842 -1.970 49 HG21 VAL 5 3HG2 VAL 5 -2.791 -3.827 -1.704 50 HG22 VAL 5 1HG2 VAL 5 -2.274 -3.728 -0.011 51 HG23 VAL 5 2HG2 VAL 5 -1.265 -4.574 -1.169 52 H ARG 6 H ARG 6 -3.991 -6.031 2.323 53 HA ARG 6 HA ARG 6 -4.765 -3.319 3.359 54 HB2 ARG 6 1HB ARG 6 -6.656 -4.810 3.617 55 HB3 ARG 6 2HB ARG 6 -5.651 -6.060 4.322 56 HG2 ARG 6 1HG ARG 6 -5.360 -4.902 6.343 57 HG3 ARG 6 2HG ARG 6 -5.877 -3.360 5.664 58 HD2 ARG 6 1HD ARG 6 -7.807 -5.694 5.631 59 HD3 ARG 6 2HD ARG 6 -7.538 -4.851 7.156 60 HE ARG 6 HE ARG 6 -8.980 -3.892 4.826 61 HH11 ARG 6 1HH1 ARG 6 -7.227 -2.910 7.712 62 HH12 ARG 6 2HH1 ARG 6 -7.692 -1.241 7.635 63 HH21 ARG 6 1HH2 ARG 6 -9.971 -1.709 4.943 64 HH22 ARG 6 2HH2 ARG 6 -9.510 -0.697 6.261 65 H ALA 7 H ALA 7 -3.239 -2.513 4.872 66 HA ALA 7 HA ALA 7 -0.840 -4.103 5.419 67 HB1 ALA 7 1HB ALA 7 -1.771 -1.288 6.156 68 HB2 ALA 7 2HB ALA 7 -0.293 -2.009 6.793 69 HB3 ALA 7 3HB ALA 7 -0.442 -1.758 5.067 70 H ILE 8 H ILE 8 -0.442 -5.200 7.196 71 HA ILE 8 HA ILE 8 -2.288 -4.884 9.515 72 HB ILE 8 HB ILE 8 -2.142 -7.110 10.096 73 HG12 ILE 8 1HG1 ILE 8 0.201 -7.574 9.160 74 HG13 ILE 8 2HG1 ILE 8 -0.989 -8.844 9.224 75 HG21 ILE 8 1HG2 ILE 8 -3.434 -8.110 8.284 76 HG22 ILE 8 2HG2 ILE 8 -3.849 -6.389 8.493 77 HG23 ILE 8 3HG2 ILE 8 -2.845 -6.908 7.124 78 HD11 ILE 8 3HD1 ILE 8 0.393 -8.808 7.115 79 HD12 ILE 8 1HD1 ILE 8 -1.358 -8.822 6.860 80 HD13 ILE 8 2HD1 ILE 8 -0.462 -7.317 6.668 81 H LEU 9 H LEU 9 0.623 -3.889 8.654 82 HA LEU 9 HA LEU 9 1.304 -3.265 11.412 83 HB2 LEU 9 1HB LEU 9 3.095 -4.872 9.587 84 HB3 LEU 9 2HB LEU 9 3.853 -3.676 10.601 85 HG LEU 9 HG LEU 9 2.054 -5.832 11.798 86 HD11 LEU 9 1HD1 LEU 9 3.785 -6.984 10.537 87 HD12 LEU 9 2HD1 LEU 9 4.098 -7.125 12.270 88 HD13 LEU 9 3HD1 LEU 9 5.048 -5.979 11.278 89 HD21 LEU 9 3HD2 LEU 9 4.336 -4.181 12.960 90 HD22 LEU 9 1HD2 LEU 9 3.357 -5.368 13.828 91 HD23 LEU 9 2HD2 LEU 9 2.607 -3.881 13.246 92 HA PRO 10 HA PRO 10 2.198 0.441 9.064 93 HB2 PRO 10 1HB PRO 10 3.569 1.937 10.835 94 HB3 PRO 10 2HB PRO 10 1.929 1.358 11.242 95 HG2 PRO 10 1HG PRO 10 4.574 0.137 12.074 96 HG3 PRO 10 2HG PRO 10 3.138 0.465 13.093 97 HD2 PRO 10 1HD PRO 10 3.669 -1.971 11.987 98 HD3 PRO 10 2HD PRO 10 2.028 -1.384 12.399 99 H TYR 11 H TYR 11 4.080 1.890 8.302 100 HA TYR 11 HA TYR 11 6.747 0.716 8.487 101 HB2 TYR 11 1HB TYR 11 5.591 -0.375 6.525 102 HB3 TYR 11 2HB TYR 11 5.429 1.196 5.791 103 HD1 TYR 11 1HD TYR 11 7.809 -1.490 6.765 104 HD2 TYR 11 2HD TYR 11 7.371 2.305 4.767 105 HE1 TYR 11 1HE TYR 11 9.955 -1.871 5.550 106 HE2 TYR 11 2HE TYR 11 9.552 1.989 3.680 107 HH TYR 11 HH TYR 11 11.507 0.677 3.627 108 H THR 12 H THR 12 8.288 2.295 7.200 109 HA THR 12 HA THR 12 7.418 5.093 7.508 110 HB THR 12 HB THR 12 9.919 3.868 8.735 111 HG1 THR 12 1HG THR 12 8.098 3.572 10.049 112 HG21 THR 12 3HG2 THR 12 10.336 6.155 9.599 113 HG22 THR 12 1HG2 THR 12 8.947 6.768 8.661 114 HG23 THR 12 2HG2 THR 12 10.377 6.113 7.829 115 H LYS 13 H LYS 13 7.593 5.931 5.573 116 HA LYS 13 HA LYS 13 9.012 4.615 3.496 117 HB2 LYS 13 1HB LYS 13 8.258 6.334 2.100 118 HB3 LYS 13 2HB LYS 13 6.935 6.004 3.169 119 HG2 LYS 13 1HG LYS 13 7.104 8.120 4.187 120 HG3 LYS 13 2HG LYS 13 8.825 8.300 3.808 121 HD2 LYS 13 1HD LYS 13 8.143 8.388 1.328 122 HD3 LYS 13 2HD LYS 13 6.491 8.646 1.911 123 HE2 LYS 13 1HE LYS 13 8.954 10.329 2.579 124 HE3 LYS 13 2HE LYS 13 7.740 10.724 1.340 125 HZ1 LYS 13 3HZ LYS 13 7.253 10.542 4.267 126 HZ2 LYS 13 1HZ LYS 13 6.077 10.782 3.113 127 HZ3 LYS 13 2HZ LYS 13 7.252 11.898 3.326 128 H VAL 14 H VAL 14 10.679 5.415 2.127 129 HA VAL 14 HA VAL 14 12.741 7.079 3.417 130 HB VAL 14 HB VAL 14 12.548 6.012 0.557 131 HG11 VAL 14 1HG1 VAL 14 14.208 7.810 0.741 132 HG12 VAL 14 2HG1 VAL 14 14.929 7.046 2.177 133 HG13 VAL 14 3HG1 VAL 14 15.024 6.263 0.584 134 HG21 VAL 14 3HG2 VAL 14 13.958 4.823 2.978 135 HG22 VAL 14 1HG2 VAL 14 12.559 4.153 2.118 136 HG23 VAL 14 2HG2 VAL 14 14.108 4.250 1.305 137 HA PRO 15 HA PRO 15 10.659 10.714 1.575 138 HB2 PRO 15 1HB PRO 15 12.454 12.594 2.376 139 HB3 PRO 15 2HB PRO 15 11.244 11.908 3.495 140 HG2 PRO 15 1HG PRO 15 14.164 11.188 3.209 141 HG3 PRO 15 2HG PRO 15 13.200 11.356 4.707 142 HD2 PRO 15 1HD PRO 15 13.766 8.953 3.539 143 HD3 PRO 15 2HD PRO 15 12.328 9.252 4.562 144 H ASP 16 H ASP 16 11.190 11.869 -0.294 145 HA ASP 16 HA ASP 16 12.260 12.484 -2.178 146 HB2 ASP 16 1HB ASP 16 14.288 12.781 -0.659 147 HB3 ASP 16 2HB ASP 16 14.838 11.213 -1.274 148 H THR 17 H THR 17 10.945 9.893 -1.524 149 HA THR 17 HA THR 17 11.536 8.630 -4.100 150 HB THR 17 HB THR 17 11.157 6.402 -3.263 151 HG1 THR 17 1HG THR 17 10.959 7.500 -0.646 152 HG21 THR 17 3HG2 THR 17 13.526 7.179 -3.145 153 HG22 THR 17 1HG2 THR 17 13.147 5.988 -1.891 154 HG23 THR 17 2HG2 THR 17 13.265 7.708 -1.473 155 H ASP 18 H ASP 18 9.577 7.205 -4.691 156 HA ASP 18 HA ASP 18 7.234 8.903 -4.568 157 HB2 ASP 18 1HB ASP 18 7.646 6.213 -5.908 158 HB3 ASP 18 2HB ASP 18 6.330 7.346 -6.208 159 H GLU 19 H GLU 19 8.345 7.053 -2.205 160 HA GLU 19 HA GLU 19 6.145 5.224 -1.620 161 HB2 GLU 19 1HB GLU 19 8.486 6.268 -0.034 162 HB3 GLU 19 2HB GLU 19 7.387 5.019 0.533 163 HG2 GLU 19 1HG GLU 19 8.121 3.490 -1.179 164 HG3 GLU 19 2HG GLU 19 9.162 4.720 -1.921 165 H ILE 20 H ILE 20 5.023 5.406 0.519 166 HA ILE 20 HA ILE 20 4.404 8.126 1.458 167 HB ILE 20 HB ILE 20 1.982 7.322 1.574 168 HG12 ILE 20 1HG1 ILE 20 2.812 5.415 -0.675 169 HG13 ILE 20 2HG1 ILE 20 2.483 4.894 0.971 170 HG21 ILE 20 1HG2 ILE 20 3.123 7.859 -1.208 171 HG22 ILE 20 2HG2 ILE 20 1.490 8.230 -0.626 172 HG23 ILE 20 3HG2 ILE 20 2.877 9.084 0.042 173 HD11 ILE 20 3HD1 ILE 20 0.168 5.845 0.769 174 HD12 ILE 20 1HD1 ILE 20 0.521 6.163 -0.947 175 HD13 ILE 20 2HD1 ILE 20 0.521 4.503 -0.338 176 H SER 21 H SER 21 4.140 8.120 3.746 177 HA SER 21 HA SER 21 4.772 5.646 5.142 178 HB2 SER 21 1HB SER 21 3.564 7.554 6.897 179 HB3 SER 21 2HB SER 21 5.217 6.956 6.814 180 HG SER 21 HG SER 21 4.185 9.341 5.954 181 H PHE 22 H PHE 22 3.314 4.157 6.041 182 HA PHE 22 HA PHE 22 0.437 4.875 6.145 183 HB2 PHE 22 1HB PHE 22 -0.283 2.788 5.235 184 HB3 PHE 22 2HB PHE 22 0.658 3.647 4.069 185 HD1 PHE 22 1HD PHE 22 0.746 0.795 6.539 186 HD2 PHE 22 2HD PHE 22 2.588 2.579 3.067 187 HE1 PHE 22 1HE PHE 22 2.097 -1.250 6.202 188 HE2 PHE 22 2HE PHE 22 3.898 0.490 2.718 189 HZ PHE 22 HZ PHE 22 3.668 -1.405 4.287 190 H LEU 23 H LEU 23 -0.857 3.298 7.451 191 HA LEU 23 HA LEU 23 0.691 2.567 9.882 192 HB2 LEU 23 1HB LEU 23 -2.201 3.437 9.482 193 HB3 LEU 23 2HB LEU 23 -1.549 2.878 10.997 194 HG LEU 23 HG LEU 23 -1.737 5.198 11.119 195 HD11 LEU 23 1HD1 LEU 23 0.515 5.918 11.695 196 HD12 LEU 23 2HD1 LEU 23 1.225 4.606 10.744 197 HD13 LEU 23 3HD1 LEU 23 0.257 4.245 12.195 198 HD21 LEU 23 3HD2 LEU 23 -1.674 5.712 8.657 199 HD22 LEU 23 1HD2 LEU 23 0.094 5.684 8.757 200 HD23 LEU 23 2HD2 LEU 23 -0.841 6.862 9.708 201 H LYS 24 H LYS 24 -0.379 0.844 11.180 202 HA LYS 24 HA LYS 24 -1.194 -1.539 9.711 203 HB2 LYS 24 1HB LYS 24 -0.164 -1.662 11.953 204 HB3 LYS 24 2HB LYS 24 -1.468 -0.686 12.646 205 HG2 LYS 24 1HG LYS 24 -3.095 -2.431 12.269 206 HG3 LYS 24 2HG LYS 24 -1.964 -3.362 11.290 207 HD2 LYS 24 1HD LYS 24 -0.460 -3.599 13.290 208 HD3 LYS 24 2HD LYS 24 -1.650 -2.733 14.259 209 HE2 LYS 24 1HE LYS 24 -2.053 -5.427 12.870 210 HE3 LYS 24 2HE LYS 24 -1.747 -5.164 14.592 211 HZ1 LYS 24 3HZ LYS 24 -3.890 -3.727 14.413 212 HZ2 LYS 24 1HZ LYS 24 -3.973 -5.384 14.521 213 HZ3 LYS 24 2HZ LYS 24 -4.184 -4.701 13.086 214 H GLY 25 H GLY 25 -3.252 -1.878 8.890 215 HA2 GLY 25 1HA GLY 25 -5.577 -1.855 9.055 216 HA3 GLY 25 2HA GLY 25 -5.524 -0.442 10.114 217 H ASP 26 H ASP 26 -3.393 0.303 7.569 218 HA ASP 26 HA ASP 26 -5.418 1.811 6.083 219 HB2 ASP 26 1HB ASP 26 -2.414 1.482 5.917 220 HB3 ASP 26 2HB ASP 26 -3.307 2.062 4.503 221 H MET 27 H MET 27 -5.617 1.486 3.659 222 HA MET 27 HA MET 27 -5.305 -1.259 2.775 223 HB2 MET 27 1HB MET 27 -7.627 -0.596 4.013 224 HB3 MET 27 2HB MET 27 -8.050 -0.099 2.387 225 HG2 MET 27 1HG MET 27 -7.119 -2.417 1.696 226 HG3 MET 27 2HG MET 27 -7.085 -2.716 3.434 227 HE1 MET 27 3HE MET 27 -9.518 -1.314 0.601 228 HE2 MET 27 1HE MET 27 -8.749 -2.853 0.206 229 HE3 MET 27 2HE MET 27 -10.513 -2.783 0.415 230 H PHE 28 H PHE 28 -5.349 -1.475 0.622 231 HA PHE 28 HA PHE 28 -5.149 1.084 -0.931 232 HB2 PHE 28 1HB PHE 28 -3.089 -1.138 -1.120 233 HB3 PHE 28 2HB PHE 28 -2.960 0.528 -1.619 234 HD1 PHE 28 1HD PHE 28 -2.434 2.318 0.040 235 HD2 PHE 28 2HD PHE 28 -2.682 -1.842 1.134 236 HE1 PHE 28 1HE PHE 28 -1.170 2.783 2.147 237 HE2 PHE 28 2HE PHE 28 -1.414 -1.389 3.199 238 HZ PHE 28 HZ PHE 28 -0.648 0.916 3.707 239 H ILE 29 H ILE 29 -5.068 0.909 -3.167 240 HA ILE 29 HA ILE 29 -6.321 -1.516 -4.325 241 HB ILE 29 HB ILE 29 -7.227 -0.118 -6.004 242 HG12 ILE 29 1HG1 ILE 29 -5.401 2.066 -4.951 243 HG13 ILE 29 2HG1 ILE 29 -5.469 1.379 -6.576 244 HG21 ILE 29 1HG2 ILE 29 -7.528 1.485 -3.425 245 HG22 ILE 29 2HG2 ILE 29 -8.733 1.239 -4.717 246 HG23 ILE 29 3HG2 ILE 29 -8.270 -0.109 -3.679 247 HD11 ILE 29 3HD1 ILE 29 -7.794 2.369 -6.776 248 HD12 ILE 29 1HD1 ILE 29 -7.482 3.206 -5.259 249 HD13 ILE 29 2HD1 ILE 29 -6.476 3.552 -6.663 250 H VAL 30 H VAL 30 -5.170 -2.759 -5.870 251 HA VAL 30 HA VAL 30 -2.402 -2.059 -6.387 252 HB VAL 30 HB VAL 30 -4.256 -4.002 -7.849 253 HG11 VAL 30 1HG1 VAL 30 -2.367 -3.379 -9.288 254 HG12 VAL 30 2HG1 VAL 30 -1.220 -3.628 -7.957 255 HG13 VAL 30 3HG1 VAL 30 -2.086 -4.985 -8.667 256 HG21 VAL 30 3HG2 VAL 30 -2.092 -4.634 -5.799 257 HG22 VAL 30 1HG2 VAL 30 -3.833 -4.631 -5.436 258 HG23 VAL 30 2HG2 VAL 30 -3.160 -5.779 -6.611 259 H HIS 31 H HIS 31 -1.715 -0.530 -7.895 260 HA HIS 31 HA HIS 31 -3.517 -0.069 -10.207 261 HB2 HIS 31 1HB HIS 31 -2.247 1.869 -8.394 262 HB3 HIS 31 2HB HIS 31 -1.863 2.160 -10.080 263 HD1 HIS 31 1HD HIS 31 -4.514 1.606 -11.605 264 HD2 HIS 31 2HD HIS 31 -4.205 3.380 -7.780 265 HE1 HIS 31 1HE HIS 31 -6.679 2.909 -11.250 266 H ASN 32 H ASN 32 -0.109 -0.651 -9.157 267 HA ASN 32 HA ASN 32 0.183 -1.801 -11.817 268 HB2 ASN 32 1HB ASN 32 1.102 0.632 -11.837 269 HB3 ASN 32 2HB ASN 32 2.444 -0.009 -10.903 270 HD21 ASN 32 1HD2 ASN 32 4.078 -1.174 -12.166 271 HD22 ASN 32 2HD2 ASN 32 3.886 -1.394 -13.874 272 H GLU 33 H GLU 33 2.082 -2.979 -11.957 273 HA GLU 33 HA GLU 33 2.770 -4.428 -9.419 274 HB2 GLU 33 1HB GLU 33 1.959 -5.580 -12.123 275 HB3 GLU 33 2HB GLU 33 2.655 -6.522 -10.807 276 HG2 GLU 33 1HG GLU 33 0.834 -6.030 -9.335 277 HG3 GLU 33 2HG GLU 33 0.165 -4.809 -10.421 278 H LEU 34 H LEU 34 4.790 -4.255 -9.052 279 HA LEU 34 HA LEU 34 6.698 -3.420 -11.188 280 HB2 LEU 34 1HB LEU 34 6.928 -3.065 -8.199 281 HB3 LEU 34 2HB LEU 34 7.927 -2.329 -9.425 282 HG LEU 34 HG LEU 34 4.931 -1.745 -9.198 283 HD11 LEU 34 1HD1 LEU 34 6.027 -1.140 -7.108 284 HD12 LEU 34 2HD1 LEU 34 5.497 0.272 -8.024 285 HD13 LEU 34 3HD1 LEU 34 7.218 -0.180 -7.989 286 HD21 LEU 34 3HD2 LEU 34 7.179 -0.164 -10.504 287 HD22 LEU 34 1HD2 LEU 34 5.478 0.315 -10.408 288 HD23 LEU 34 2HD2 LEU 34 5.959 -1.115 -11.368 289 H GLU 35 H GLU 35 9.148 -4.028 -10.062 290 HA GLU 35 HA GLU 35 9.026 -7.007 -9.787 291 HB2 GLU 35 1HB GLU 35 10.686 -5.402 -11.760 292 HB3 GLU 35 2HB GLU 35 10.788 -7.137 -11.433 293 HG2 GLU 35 1HG GLU 35 8.306 -7.292 -11.974 294 HG3 GLU 35 2HG GLU 35 8.395 -5.615 -12.518 295 H ASP 36 H ASP 36 9.366 -5.373 -7.745 296 HA ASP 36 HA ASP 36 11.684 -6.686 -6.691 297 HB2 ASP 36 1HB ASP 36 12.739 -4.574 -7.611 298 HB3 ASP 36 2HB ASP 36 11.904 -3.681 -6.345 299 H GLY 37 H GLY 37 9.129 -7.143 -6.049 300 HA2 GLY 37 1HA GLY 37 7.759 -7.483 -4.284 301 HA3 GLY 37 2HA GLY 37 9.034 -6.919 -3.228 302 H TRP 38 H TRP 38 8.240 -4.416 -5.350 303 HA TRP 38 HA TRP 38 6.477 -3.091 -3.363 304 HB2 TRP 38 1HB TRP 38 8.093 -1.983 -5.701 305 HB3 TRP 38 2HB TRP 38 6.975 -1.059 -4.732 306 HD1 TRP 38 HD TRP 38 10.468 -2.629 -4.452 307 HE1 TRP 38 1HE TRP 38 11.563 -1.925 -2.290 308 HE3 TRP 38 3HE TRP 38 6.583 -0.083 -2.506 309 HZ2 TRP 38 2HZ TRP 38 10.867 -0.176 -0.001 310 HZ3 TRP 38 3HZ TRP 38 6.747 1.135 -0.381 311 HH2 TRP 38 HH TRP 38 8.965 1.113 0.900 312 H MET 39 H MET 39 4.603 -1.870 -4.164 313 HA MET 39 HA MET 39 3.734 -2.388 -6.959 314 HB2 MET 39 1HB MET 39 2.003 -2.736 -4.494 315 HB3 MET 39 2HB MET 39 1.355 -2.561 -6.109 316 HG2 MET 39 1HG MET 39 2.216 -4.618 -6.863 317 HG3 MET 39 2HG MET 39 3.336 -4.770 -5.511 318 HE1 MET 39 3HE MET 39 2.958 -5.416 -3.302 319 HE2 MET 39 1HE MET 39 1.716 -4.258 -2.835 320 HE3 MET 39 2HE MET 39 1.454 -5.994 -2.545 321 H TRP 40 H TRP 40 2.746 -0.608 -7.830 322 HA TRP 40 HA TRP 40 2.652 1.931 -6.351 323 HB2 TRP 40 1HB TRP 40 3.300 1.668 -8.807 324 HB3 TRP 40 2HB TRP 40 1.617 1.249 -9.135 325 HD1 TRP 40 HD TRP 40 -0.212 3.258 -8.690 326 HE1 TRP 40 1HE TRP 40 -0.006 5.776 -8.841 327 HE3 TRP 40 3HE TRP 40 4.873 3.569 -8.247 328 HZ2 TRP 40 2HZ TRP 40 2.212 7.749 -8.849 329 HZ3 TRP 40 3HZ TRP 40 5.987 5.762 -8.243 330 HH2 TRP 40 HH TRP 40 4.676 7.865 -8.557 331 H VAL 41 H VAL 41 0.781 2.743 -5.388 332 HA VAL 41 HA VAL 41 -1.787 1.364 -5.890 333 HB VAL 41 HB VAL 41 -2.104 1.052 -3.503 334 HG11 VAL 41 1HG1 VAL 41 -0.746 -0.857 -3.116 335 HG12 VAL 41 2HG1 VAL 41 -1.088 -0.789 -4.850 336 HG13 VAL 41 3HG1 VAL 41 0.511 -0.291 -4.240 337 HG21 VAL 41 3HG2 VAL 41 -0.445 1.381 -1.818 338 HG22 VAL 41 1HG2 VAL 41 0.791 1.808 -3.013 339 HG23 VAL 41 2HG2 VAL 41 -0.561 2.903 -2.691 340 H THR 42 H THR 42 -3.386 2.450 -4.057 341 HA THR 42 HA THR 42 -2.836 5.269 -3.622 342 HB THR 42 HB THR 42 -5.585 4.389 -4.536 343 HG1 THR 42 1HG THR 42 -3.384 5.264 -5.995 344 HG21 THR 42 3HG2 THR 42 -5.562 6.409 -3.149 345 HG22 THR 42 1HG2 THR 42 -5.958 6.825 -4.825 346 HG23 THR 42 2HG2 THR 42 -4.335 7.137 -4.177 347 H ASN 43 H ASN 43 -3.219 5.657 -1.475 348 HA ASN 43 HA ASN 43 -4.573 3.646 0.204 349 HB2 ASN 43 1HB ASN 43 -2.430 4.809 0.922 350 HB3 ASN 43 2HB ASN 43 -3.330 6.310 0.985 351 HD21 ASN 43 1HD2 ASN 43 -2.387 5.758 3.476 352 HD22 ASN 43 2HD2 ASN 43 -3.614 4.965 4.452 353 H LEU 44 H LEU 44 -6.760 3.811 0.172 354 HA LEU 44 HA LEU 44 -8.000 6.366 -0.570 355 HB2 LEU 44 1HB LEU 44 -9.470 3.901 0.380 356 HB3 LEU 44 2HB LEU 44 -10.116 5.297 -0.469 357 HG LEU 44 HG LEU 44 -8.258 3.166 -1.602 358 HD11 LEU 44 1HD1 LEU 44 -10.102 2.766 -3.155 359 HD12 LEU 44 2HD1 LEU 44 -11.004 4.133 -2.487 360 HD13 LEU 44 3HD1 LEU 44 -10.734 2.706 -1.483 361 HD21 LEU 44 3HD2 LEU 44 -7.423 5.187 -2.568 362 HD22 LEU 44 1HD2 LEU 44 -9.061 5.832 -2.828 363 HD23 LEU 44 2HD2 LEU 44 -8.476 4.457 -3.776 364 H ARG 45 H ARG 45 -6.636 5.473 2.391 365 HA ARG 45 HA ARG 45 -8.634 6.659 4.123 366 HB2 ARG 45 1HB ARG 45 -6.473 5.320 4.814 367 HB3 ARG 45 2HB ARG 45 -5.637 6.854 4.620 368 HG2 ARG 45 1HG ARG 45 -7.359 7.872 6.234 369 HG3 ARG 45 2HG ARG 45 -8.011 6.254 6.443 370 HD2 ARG 45 1HD ARG 45 -6.649 6.620 8.321 371 HD3 ARG 45 2HD ARG 45 -5.717 5.544 7.287 372 HE ARG 45 HE ARG 45 -4.135 7.191 6.949 373 HH11 ARG 45 1HH1 ARG 45 -6.928 8.751 8.616 374 HH12 ARG 45 2HH1 ARG 45 -6.047 10.204 8.899 375 HH21 ARG 45 1HH2 ARG 45 -3.061 9.057 7.393 376 HH22 ARG 45 2HH2 ARG 45 -3.773 10.365 8.301 377 H THR 46 H THR 46 -6.072 7.953 2.007 378 HA THR 46 HA THR 46 -6.728 10.720 2.852 379 HB THR 46 HB THR 46 -4.136 10.873 2.774 380 HG1 THR 46 1HG THR 46 -3.067 8.956 3.059 381 HG21 THR 46 3HG2 THR 46 -5.371 10.950 4.916 382 HG22 THR 46 1HG2 THR 46 -3.833 10.088 5.049 383 HG23 THR 46 2HG2 THR 46 -5.353 9.179 4.988 384 H ASP 47 H ASP 47 -6.679 8.725 0.245 385 HA ASP 47 HA ASP 47 -6.612 8.866 -1.927 386 HB2 ASP 47 1HB ASP 47 -6.859 10.701 -3.205 387 HB3 ASP 47 2HB ASP 47 -7.591 11.182 -1.703 388 H GLU 48 H GLU 48 -4.118 9.059 0.038 389 HA GLU 48 HA GLU 48 -2.014 10.026 -1.541 390 HB2 GLU 48 1HB GLU 48 -2.096 8.308 0.946 391 HB3 GLU 48 2HB GLU 48 -0.574 8.839 0.221 392 HG2 GLU 48 1HG GLU 48 -1.155 11.158 0.366 393 HG3 GLU 48 2HG GLU 48 -2.795 10.799 0.902 394 H GLN 49 H GLN 49 -1.610 9.250 -3.484 395 HA GLN 49 HA GLN 49 -1.182 6.360 -3.883 396 HB2 GLN 49 1HB GLN 49 -0.274 8.673 -5.702 397 HB3 GLN 49 2HB GLN 49 -0.261 6.966 -6.101 398 HG2 GLN 49 1HG GLN 49 -2.127 7.641 -7.217 399 HG3 GLN 49 2HG GLN 49 -2.795 7.026 -5.720 400 HE21 GLN 49 1HE2 GLN 49 -4.470 8.573 -7.029 401 HE22 GLN 49 2HE2 GLN 49 -4.601 10.154 -6.213 402 H GLY 50 H GLY 50 0.789 5.432 -4.410 403 HA2 GLY 50 1HA GLY 50 3.205 6.317 -4.885 404 HA3 GLY 50 2HA GLY 50 3.213 6.482 -3.120 405 H LEU 51 H LEU 51 4.734 4.911 -3.008 406 HA LEU 51 HA LEU 51 4.170 2.193 -3.979 407 HB2 LEU 51 1HB LEU 51 6.591 3.795 -3.087 408 HB3 LEU 51 2HB LEU 51 6.699 2.062 -3.154 409 HG LEU 51 HG LEU 51 7.379 3.426 -5.244 410 HD11 LEU 51 1HD1 LEU 51 5.454 1.135 -5.589 411 HD12 LEU 51 2HD1 LEU 51 7.214 1.020 -5.270 412 HD13 LEU 51 3HD1 LEU 51 6.654 1.750 -6.769 413 HD21 LEU 51 3HD2 LEU 51 4.612 3.546 -6.004 414 HD22 LEU 51 1HD2 LEU 51 6.156 4.093 -6.756 415 HD23 LEU 51 2HD2 LEU 51 5.575 4.915 -5.332 416 H ILE 52 H ILE 52 4.215 0.408 -2.762 417 HA ILE 52 HA ILE 52 4.633 0.474 0.151 418 HB ILE 52 HB ILE 52 2.632 -0.776 0.702 419 HG12 ILE 52 1HG1 ILE 52 0.832 -0.423 -1.410 420 HG13 ILE 52 2HG1 ILE 52 2.324 -0.948 -2.199 421 HG21 ILE 52 1HG2 ILE 52 0.972 0.983 0.580 422 HG22 ILE 52 2HG2 ILE 52 2.562 1.709 0.854 423 HG23 ILE 52 3HG2 ILE 52 1.833 1.775 -0.755 424 HD11 ILE 52 3HD1 ILE 52 2.358 -2.966 -0.770 425 HD12 ILE 52 1HD1 ILE 52 0.964 -2.355 0.158 426 HD13 ILE 52 2HD1 ILE 52 0.760 -2.806 -1.539 427 H VAL 53 H VAL 53 5.175 -1.611 1.025 428 HA VAL 53 HA VAL 53 6.335 -3.412 -1.009 429 HB VAL 53 HB VAL 53 7.778 -2.243 0.648 430 HG11 VAL 53 1HG1 VAL 53 6.512 -4.022 2.774 431 HG12 VAL 53 2HG1 VAL 53 7.868 -2.895 2.982 432 HG13 VAL 53 3HG1 VAL 53 6.246 -2.282 2.633 433 HG21 VAL 53 3HG2 VAL 53 9.156 -4.142 1.248 434 HG22 VAL 53 1HG2 VAL 53 7.813 -5.267 0.973 435 HG23 VAL 53 2HG2 VAL 53 8.500 -4.355 -0.388 436 H GLU 54 H GLU 54 5.898 -5.690 -0.962 437 HA GLU 54 HA GLU 54 3.296 -6.266 0.153 438 HB2 GLU 54 1HB GLU 54 3.273 -8.174 -1.162 439 HB3 GLU 54 2HB GLU 54 3.898 -6.839 -2.098 440 HG2 GLU 54 1HG GLU 54 6.207 -7.756 -1.836 441 HG3 GLU 54 2HG GLU 54 5.520 -9.182 -1.064 442 H ASP 55 H ASP 55 6.265 -6.448 1.549 443 HA ASP 55 HA ASP 55 6.239 -8.818 3.044 444 HB2 ASP 55 1HB ASP 55 8.130 -7.282 2.998 445 HB3 ASP 55 2HB ASP 55 7.180 -6.021 3.762 446 H LEU 56 H LEU 56 4.154 -6.106 3.306 447 HA LEU 56 HA LEU 56 3.494 -6.730 6.138 448 HB2 LEU 56 1HB LEU 56 3.673 -4.087 4.676 449 HB3 LEU 56 2HB LEU 56 3.092 -4.256 6.327 450 HG LEU 56 HG LEU 56 5.892 -4.969 5.378 451 HD11 LEU 56 1HD1 LEU 56 6.475 -3.081 6.900 452 HD12 LEU 56 2HD1 LEU 56 4.757 -2.678 7.018 453 HD13 LEU 56 3HD1 LEU 56 5.591 -2.602 5.439 454 HD21 LEU 56 3HD2 LEU 56 4.624 -5.135 8.140 455 HD22 LEU 56 1HD2 LEU 56 6.368 -5.180 7.857 456 HD23 LEU 56 2HD2 LEU 56 5.354 -6.464 7.218 457 H VAL 57 H VAL 57 1.907 -7.569 3.559 458 HA VAL 57 HA VAL 57 -0.654 -6.349 4.435 459 HB VAL 57 HB VAL 57 -1.316 -6.220 2.068 460 HG11 VAL 57 1HG1 VAL 57 -0.084 -4.209 1.486 461 HG12 VAL 57 2HG1 VAL 57 -0.446 -4.217 3.218 462 HG13 VAL 57 3HG1 VAL 57 1.196 -4.600 2.652 463 HG21 VAL 57 3HG2 VAL 57 0.367 -6.322 0.268 464 HG22 VAL 57 1HG2 VAL 57 1.615 -6.800 1.440 465 HG23 VAL 57 2HG2 VAL 57 0.263 -7.883 1.092 466 H GLU 58 H GLU 58 -2.586 -7.456 3.872 467 HA GLU 58 HA GLU 58 -2.309 -10.346 3.217 468 HB2 GLU 58 1HB GLU 58 -4.454 -10.762 4.218 469 HB3 GLU 58 2HB GLU 58 -3.350 -10.109 5.423 470 HG2 GLU 58 1HG GLU 58 -4.480 -8.085 5.588 471 HG3 GLU 58 2HG GLU 58 -5.170 -8.186 3.992 472 H GLU 59 H GLU 59 -3.817 -11.216 1.821 473 HA GLU 59 HA GLU 59 -4.596 -9.517 -0.364 474 HB2 GLU 59 1HB GLU 59 -4.929 -12.489 0.285 475 HB3 GLU 59 2HB GLU 59 -5.720 -11.742 -1.088 476 HG2 GLU 59 1HG GLU 59 -3.303 -10.952 -1.742 477 HG3 GLU 59 2HG GLU 59 -2.793 -12.292 -0.701 478 H VAL 60 H VAL 60 -5.962 -8.162 1.226 479 HA VAL 60 HA VAL 60 -8.281 -9.237 2.348 480 HB VAL 60 HB VAL 60 -7.258 -7.144 2.871 481 HG11 VAL 60 1HG1 VAL 60 -8.896 -5.856 0.642 482 HG12 VAL 60 2HG1 VAL 60 -7.803 -5.035 1.742 483 HG13 VAL 60 3HG1 VAL 60 -7.156 -6.152 0.534 484 HG21 VAL 60 3HG2 VAL 60 -9.275 -6.003 3.628 485 HG22 VAL 60 1HG2 VAL 60 -10.243 -6.932 2.446 486 HG23 VAL 60 2HG2 VAL 60 -9.426 -7.764 3.794 487 H GLY 61 H GLY 61 -10.015 -9.892 1.671 488 HA2 GLY 61 1HA GLY 61 -10.650 -10.244 -1.118 489 HA3 GLY 61 2HA GLY 61 -11.690 -10.720 0.219 490 H ARG 62 H ARG 62 -11.614 -7.827 1.127 491 HA ARG 62 HA ARG 62 -14.142 -6.965 0.344 492 HB2 ARG 62 1HB ARG 62 -11.782 -5.333 1.341 493 HB3 ARG 62 2HB ARG 62 -13.436 -4.759 1.284 494 HG2 ARG 62 1HG ARG 62 -14.173 -6.367 2.945 495 HG3 ARG 62 2HG ARG 62 -12.628 -7.214 2.874 496 HD2 ARG 62 1HD ARG 62 -12.542 -5.986 4.845 497 HD3 ARG 62 2HD ARG 62 -11.460 -5.170 3.718 498 HE ARG 62 HE ARG 62 -13.174 -3.492 3.330 499 HH11 ARG 62 1HH1 ARG 62 -13.520 -5.422 6.349 500 HH12 ARG 62 2HH1 ARG 62 -14.450 -4.236 7.155 501 HH21 ARG 62 1HH2 ARG 62 -14.342 -1.834 4.560 502 HH22 ARG 62 2HH2 ARG 62 -14.754 -2.156 6.217 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -4.193 -9.139 -11.289 2 HA2 GLY 1 1HA GLY 1 -3.739 -8.469 -8.971 3 HA3 GLY 1 2HA GLY 1 -3.119 -6.945 -9.601 4 H ARG 2 H ARG 2 -4.625 -5.342 -10.227 5 HA ARG 2 HA ARG 2 -6.446 -4.049 -10.036 6 HB2 ARG 2 1HB ARG 2 -7.493 -6.552 -11.320 7 HB3 ARG 2 2HB ARG 2 -8.666 -5.336 -10.843 8 HG2 ARG 2 1HG ARG 2 -7.796 -3.681 -12.234 9 HG3 ARG 2 2HG ARG 2 -6.227 -4.487 -12.390 10 HD2 ARG 2 1HD ARG 2 -7.224 -6.266 -13.767 11 HD3 ARG 2 2HD ARG 2 -8.836 -5.578 -13.515 12 HE ARG 2 HE ARG 2 -8.500 -4.182 -15.247 13 HH11 ARG 2 1HH1 ARG 2 -5.233 -4.760 -13.931 14 HH12 ARG 2 2HH1 ARG 2 -4.427 -4.089 -15.285 15 HH21 ARG 2 1HH2 ARG 2 -7.375 -3.471 -17.152 16 HH22 ARG 2 2HH2 ARG 2 -5.677 -3.186 -17.023 17 H ARG 3 H ARG 3 -6.595 -6.783 -7.902 18 HA ARG 3 HA ARG 3 -8.982 -6.144 -6.554 19 HB2 ARG 3 1HB ARG 3 -8.254 -7.990 -5.146 20 HB3 ARG 3 2HB ARG 3 -8.011 -8.361 -6.825 21 HG2 ARG 3 1HG ARG 3 -6.125 -9.236 -5.962 22 HG3 ARG 3 2HG ARG 3 -5.523 -7.674 -6.471 23 HD2 ARG 3 1HD ARG 3 -4.664 -8.269 -4.263 24 HD3 ARG 3 2HD ARG 3 -5.657 -6.833 -4.173 25 HE ARG 3 HE ARG 3 -7.049 -7.916 -2.717 26 HH11 ARG 3 1HH1 ARG 3 -5.061 -10.373 -4.306 27 HH12 ARG 3 2HH1 ARG 3 -5.573 -11.677 -3.361 28 HH21 ARG 3 1HH2 ARG 3 -8.100 -9.718 -1.650 29 HH22 ARG 3 2HH2 ARG 3 -7.478 -11.314 -1.867 30 H ARG 4 H ARG 4 -8.598 -6.003 -4.095 31 HA ARG 4 HA ARG 4 -6.842 -3.605 -3.545 32 HB2 ARG 4 1HB ARG 4 -9.469 -4.180 -2.137 33 HB3 ARG 4 2HB ARG 4 -8.508 -2.714 -2.106 34 HG2 ARG 4 1HG ARG 4 -8.957 -2.910 -4.764 35 HG3 ARG 4 2HG ARG 4 -10.414 -3.713 -4.184 36 HD2 ARG 4 1HD ARG 4 -9.396 -1.004 -3.226 37 HD3 ARG 4 2HD ARG 4 -10.460 -1.221 -4.590 38 HE ARG 4 HE ARG 4 -11.144 -1.300 -1.771 39 HH11 ARG 4 1HH1 ARG 4 -12.215 -2.303 -5.011 40 HH12 ARG 4 2HH1 ARG 4 -13.873 -1.908 -4.695 41 HH21 ARG 4 1HH2 ARG 4 -13.388 -1.055 -1.299 42 HH22 ARG 4 2HH2 ARG 4 -14.561 -1.507 -2.484 43 H VAL 5 H VAL 5 -5.824 -3.397 -1.450 44 HA VAL 5 HA VAL 5 -5.633 -5.922 0.089 45 HB VAL 5 HB VAL 5 -3.160 -5.576 0.208 46 HG11 VAL 5 1HG1 VAL 5 -2.717 -6.793 -1.805 47 HG12 VAL 5 2HG1 VAL 5 -4.284 -7.317 -1.184 48 HG13 VAL 5 3HG1 VAL 5 -4.201 -6.201 -2.573 49 HG21 VAL 5 3HG2 VAL 5 -2.011 -4.365 -1.564 50 HG22 VAL 5 1HG2 VAL 5 -3.538 -3.811 -2.258 51 HG23 VAL 5 2HG2 VAL 5 -3.023 -3.238 -0.652 52 H ARG 6 H ARG 6 -4.438 -5.574 2.212 53 HA ARG 6 HA ARG 6 -5.094 -2.893 3.387 54 HB2 ARG 6 1HB ARG 6 -6.998 -4.464 3.713 55 HB3 ARG 6 2HB ARG 6 -5.909 -5.653 4.406 56 HG2 ARG 6 1HG ARG 6 -5.440 -4.105 6.292 57 HG3 ARG 6 2HG ARG 6 -6.567 -2.923 5.616 58 HD2 ARG 6 1HD ARG 6 -7.294 -5.777 6.328 59 HD3 ARG 6 2HD ARG 6 -7.457 -4.428 7.450 60 HE ARG 6 HE ARG 6 -8.915 -3.638 5.207 61 HH11 ARG 6 1HH1 ARG 6 -8.989 -6.405 7.443 62 HH12 ARG 6 2HH1 ARG 6 -10.641 -6.803 7.079 63 HH21 ARG 6 1HH2 ARG 6 -11.253 -3.930 5.119 64 HH22 ARG 6 2HH2 ARG 6 -11.869 -5.446 5.773 65 H ALA 7 H ALA 7 -3.605 -2.174 4.859 66 HA ALA 7 HA ALA 7 -1.119 -3.655 5.226 67 HB1 ALA 7 1HB ALA 7 -2.213 -1.041 6.337 68 HB2 ALA 7 2HB ALA 7 -0.641 -1.721 6.798 69 HB3 ALA 7 3HB ALA 7 -0.926 -1.258 5.126 70 H ILE 8 H ILE 8 -0.621 -4.930 6.914 71 HA ILE 8 HA ILE 8 -2.369 -4.848 9.329 72 HB ILE 8 HB ILE 8 -1.855 -7.100 9.820 73 HG12 ILE 8 1HG1 ILE 8 0.409 -7.125 8.583 74 HG13 ILE 8 2HG1 ILE 8 -0.545 -8.590 8.723 75 HG21 ILE 8 1HG2 ILE 8 -3.207 -8.198 8.075 76 HG22 ILE 8 2HG2 ILE 8 -3.873 -6.611 8.527 77 HG23 ILE 8 3HG2 ILE 8 -2.983 -6.804 7.009 78 HD11 ILE 8 3HD1 ILE 8 -0.762 -6.897 6.227 79 HD12 ILE 8 1HD1 ILE 8 0.561 -8.040 6.475 80 HD13 ILE 8 2HD1 ILE 8 -1.116 -8.619 6.458 81 H LEU 9 H LEU 9 0.497 -3.645 8.226 82 HA LEU 9 HA LEU 9 1.464 -3.387 10.988 83 HB2 LEU 9 1HB LEU 9 3.019 -4.468 8.615 84 HB3 LEU 9 2HB LEU 9 3.861 -3.545 9.852 85 HG LEU 9 HG LEU 9 2.247 -6.062 10.442 86 HD11 LEU 9 1HD1 LEU 9 4.439 -7.194 10.635 87 HD12 LEU 9 2HD1 LEU 9 5.246 -5.737 10.019 88 HD13 LEU 9 3HD1 LEU 9 4.107 -6.648 8.992 89 HD21 LEU 9 3HD2 LEU 9 3.559 -6.055 12.559 90 HD22 LEU 9 1HD2 LEU 9 2.552 -4.616 12.431 91 HD23 LEU 9 2HD2 LEU 9 4.299 -4.513 12.089 92 HA PRO 10 HA PRO 10 1.902 0.733 9.357 93 HB2 PRO 10 1HB PRO 10 3.312 1.945 11.315 94 HB3 PRO 10 2HB PRO 10 1.703 1.252 11.667 95 HG2 PRO 10 1HG PRO 10 4.422 -0.024 12.139 96 HG3 PRO 10 2HG PRO 10 3.053 0.105 13.288 97 HD2 PRO 10 1HD PRO 10 3.525 -2.118 11.770 98 HD3 PRO 10 2HD PRO 10 1.892 -1.609 12.290 99 H TYR 11 H TYR 11 3.512 2.189 8.375 100 HA TYR 11 HA TYR 11 6.301 1.234 8.286 101 HB2 TYR 11 1HB TYR 11 5.058 0.025 6.498 102 HB3 TYR 11 2HB TYR 11 4.611 1.571 5.790 103 HD1 TYR 11 2HD TYR 11 7.468 -0.698 6.580 104 HD2 TYR 11 1HD TYR 11 6.274 2.968 4.638 105 HE1 TYR 11 2HE TYR 11 9.635 -0.634 5.383 106 HE2 TYR 11 1HE TYR 11 8.458 3.030 3.480 107 HH TYR 11 HH TYR 11 10.858 0.476 3.559 108 H THR 12 H THR 12 7.561 2.952 8.603 109 HA THR 12 HA THR 12 6.740 5.660 7.891 110 HB THR 12 HB THR 12 9.416 4.570 8.874 111 HG1 THR 12 1HG THR 12 8.779 4.947 10.864 112 HG21 THR 12 3HG2 THR 12 9.660 6.717 7.861 113 HG22 THR 12 1HG2 THR 12 9.641 7.001 9.617 114 HG23 THR 12 2HG2 THR 12 8.196 7.355 8.641 115 H LYS 13 H LYS 13 6.799 6.227 5.777 116 HA LYS 13 HA LYS 13 8.606 5.004 3.850 117 HB2 LYS 13 1HB LYS 13 7.962 6.706 2.353 118 HB3 LYS 13 2HB LYS 13 6.510 6.052 3.080 119 HG2 LYS 13 1HG LYS 13 6.127 8.087 4.315 120 HG3 LYS 13 2HG LYS 13 7.796 8.593 4.160 121 HD2 LYS 13 1HD LYS 13 7.144 8.559 1.529 122 HD3 LYS 13 2HD LYS 13 5.570 8.951 2.215 123 HE2 LYS 13 1HE LYS 13 8.230 10.329 2.811 124 HE3 LYS 13 2HE LYS 13 7.050 10.925 1.652 125 HZ1 LYS 13 3HZ LYS 13 5.488 11.174 3.497 126 HZ2 LYS 13 1HZ LYS 13 6.830 12.065 3.729 127 HZ3 LYS 13 2HZ LYS 13 6.598 10.655 4.588 128 H VAL 14 H VAL 14 10.407 5.992 2.813 129 HA VAL 14 HA VAL 14 11.952 7.918 4.402 130 HB VAL 14 HB VAL 14 12.363 7.036 1.515 131 HG11 VAL 14 1HG1 VAL 14 14.317 7.931 3.659 132 HG12 VAL 14 2HG1 VAL 14 14.729 7.454 1.993 133 HG13 VAL 14 3HG1 VAL 14 13.780 8.910 2.258 134 HG21 VAL 14 3HG2 VAL 14 13.940 5.288 2.432 135 HG22 VAL 14 1HG2 VAL 14 13.324 5.641 4.058 136 HG23 VAL 14 2HG2 VAL 14 12.267 4.940 2.815 137 HA PRO 15 HA PRO 15 10.002 11.479 2.313 138 HB2 PRO 15 1HB PRO 15 12.000 13.334 2.744 139 HB3 PRO 15 2HB PRO 15 10.840 12.826 4.001 140 HG2 PRO 15 1HG PRO 15 13.665 11.841 3.541 141 HG3 PRO 15 2HG PRO 15 12.876 12.263 5.093 142 HD2 PRO 15 1HD PRO 15 13.119 9.741 4.307 143 HD3 PRO 15 2HD PRO 15 11.694 10.308 5.199 144 H ASP 16 H ASP 16 10.675 13.018 0.501 145 HA ASP 16 HA ASP 16 11.589 13.568 -1.477 146 HB2 ASP 16 1HB ASP 16 13.549 14.059 -0.289 147 HB3 ASP 16 2HB ASP 16 14.017 12.375 -0.149 148 H THR 17 H THR 17 10.668 10.487 -0.902 149 HA THR 17 HA THR 17 11.465 9.552 -3.624 150 HB THR 17 HB THR 17 11.185 7.278 -2.591 151 HG1 THR 17 1HG THR 17 11.276 7.222 -0.333 152 HG21 THR 17 3HG2 THR 17 13.341 7.298 -1.383 153 HG22 THR 17 1HG2 THR 17 13.309 9.068 -1.321 154 HG23 THR 17 2HG2 THR 17 13.426 8.226 -2.887 155 H ASP 18 H ASP 18 9.867 7.798 -4.367 156 HA ASP 18 HA ASP 18 7.269 9.060 -4.690 157 HB2 ASP 18 1HB ASP 18 8.118 6.296 -5.606 158 HB3 ASP 18 2HB ASP 18 6.800 7.279 -6.246 159 H GLU 19 H GLU 19 8.294 7.635 -2.049 160 HA GLU 19 HA GLU 19 6.642 5.295 -1.675 161 HB2 GLU 19 1HB GLU 19 8.345 7.029 0.170 162 HB3 GLU 19 2HB GLU 19 7.604 5.470 0.615 163 HG2 GLU 19 1HG GLU 19 8.869 4.352 -1.161 164 HG3 GLU 19 2HG GLU 19 9.593 5.894 -1.645 165 H ILE 20 H ILE 20 5.064 5.058 0.068 166 HA ILE 20 HA ILE 20 3.935 7.559 1.153 167 HB ILE 20 HB ILE 20 1.644 6.451 0.942 168 HG12 ILE 20 1HG1 ILE 20 2.931 4.886 -1.340 169 HG13 ILE 20 2HG1 ILE 20 2.524 4.181 0.218 170 HG21 ILE 20 1HG2 ILE 20 3.058 7.369 -1.601 171 HG22 ILE 20 2HG2 ILE 20 1.317 7.427 -1.305 172 HG23 ILE 20 3HG2 ILE 20 2.408 8.441 -0.362 173 HD11 ILE 20 3HD1 ILE 20 0.131 4.781 -0.144 174 HD12 ILE 20 1HD1 ILE 20 0.546 5.401 -1.760 175 HD13 ILE 20 2HD1 ILE 20 0.762 3.693 -1.395 176 H SER 21 H SER 21 3.505 7.439 3.329 177 HA SER 21 HA SER 21 4.335 4.952 4.712 178 HB2 SER 21 1HB SER 21 3.856 6.180 6.790 179 HB3 SER 21 2HB SER 21 5.068 6.986 5.814 180 HG SER 21 HG SER 21 3.536 8.541 5.224 181 H PHE 22 H PHE 22 2.795 3.997 6.312 182 HA PHE 22 HA PHE 22 -0.016 4.609 6.063 183 HB2 PHE 22 1HB PHE 22 -0.629 2.291 5.368 184 HB3 PHE 22 2HB PHE 22 0.099 3.256 4.110 185 HD1 PHE 22 2HD PHE 22 0.710 0.412 6.467 186 HD2 PHE 22 1HD PHE 22 2.170 2.620 3.047 187 HE1 PHE 22 2HE PHE 22 2.247 -1.447 5.905 188 HE2 PHE 22 1HE PHE 22 3.701 0.759 2.518 189 HZ PHE 22 HZ PHE 22 3.724 -1.284 3.895 190 H LEU 23 H LEU 23 -1.253 3.127 7.497 191 HA LEU 23 HA LEU 23 0.405 2.404 9.895 192 HB2 LEU 23 1HB LEU 23 -2.470 3.343 9.686 193 HB3 LEU 23 2HB LEU 23 -1.658 2.888 11.178 194 HG LEU 23 HG LEU 23 -0.125 4.930 9.690 195 HD11 LEU 23 1HD1 LEU 23 -2.398 5.571 8.960 196 HD12 LEU 23 2HD1 LEU 23 -1.607 6.785 9.958 197 HD13 LEU 23 3HD1 LEU 23 -2.882 5.737 10.661 198 HD21 LEU 23 3HD2 LEU 23 0.270 4.289 12.053 199 HD22 LEU 23 1HD2 LEU 23 -1.317 4.960 12.495 200 HD23 LEU 23 2HD2 LEU 23 -0.023 6.013 11.850 201 H LYS 24 H LYS 24 -0.532 0.602 11.227 202 HA LYS 24 HA LYS 24 -1.443 -1.671 9.721 203 HB2 LYS 24 1HB LYS 24 -0.330 -1.911 11.867 204 HB3 LYS 24 2HB LYS 24 -1.590 -0.979 12.683 205 HG2 LYS 24 1HG LYS 24 -3.211 -2.731 12.428 206 HG3 LYS 24 2HG LYS 24 -2.221 -3.559 11.221 207 HD2 LYS 24 1HD LYS 24 -0.452 -3.862 13.058 208 HD3 LYS 24 2HD LYS 24 -1.669 -3.342 14.219 209 HE2 LYS 24 1HE LYS 24 -2.198 -5.618 12.249 210 HE3 LYS 24 2HE LYS 24 -1.260 -5.888 13.719 211 HZ1 LYS 24 3HZ LYS 24 -4.047 -4.917 13.690 212 HZ2 LYS 24 1HZ LYS 24 -3.086 -5.162 15.027 213 HZ3 LYS 24 2HZ LYS 24 -3.515 -6.422 14.096 214 H GLY 25 H GLY 25 -3.414 -2.018 8.886 215 HA2 GLY 25 1HA GLY 25 -5.707 -2.219 9.022 216 HA3 GLY 25 2HA GLY 25 -5.819 -0.806 10.073 217 H ASP 26 H ASP 26 -3.676 0.262 7.714 218 HA ASP 26 HA ASP 26 -5.729 1.753 6.322 219 HB2 ASP 26 1HB ASP 26 -2.724 1.443 6.096 220 HB3 ASP 26 2HB ASP 26 -3.580 2.036 4.684 221 H MET 27 H MET 27 -6.025 1.735 3.930 222 HA MET 27 HA MET 27 -5.690 -0.936 2.759 223 HB2 MET 27 1HB MET 27 -8.316 0.256 3.539 224 HB3 MET 27 2HB MET 27 -8.212 -0.220 1.854 225 HG2 MET 27 1HG MET 27 -7.085 -2.404 2.944 226 HG3 MET 27 2HG MET 27 -8.062 -1.896 4.308 227 HE1 MET 27 3HE MET 27 -7.958 -3.561 0.702 228 HE2 MET 27 1HE MET 27 -9.581 -3.168 0.109 229 HE3 MET 27 2HE MET 27 -8.411 -1.871 0.406 230 H PHE 28 H PHE 28 -5.859 -1.090 0.568 231 HA PHE 28 HA PHE 28 -5.398 1.434 -0.890 232 HB2 PHE 28 1HB PHE 28 -3.446 -0.836 -1.213 233 HB3 PHE 28 2HB PHE 28 -3.253 0.886 -1.492 234 HD1 PHE 28 2HD PHE 28 -3.255 -1.746 1.100 235 HD2 PHE 28 1HD PHE 28 -2.301 2.347 0.125 236 HE1 PHE 28 2HE PHE 28 -1.856 -1.577 3.118 237 HE2 PHE 28 1HE PHE 28 -0.965 2.527 2.201 238 HZ PHE 28 HZ PHE 28 -0.736 0.542 3.691 239 H ILE 29 H ILE 29 -5.058 1.070 -3.197 240 HA ILE 29 HA ILE 29 -6.805 -1.086 -4.287 241 HB ILE 29 HB ILE 29 -7.806 0.509 -5.648 242 HG12 ILE 29 1HG1 ILE 29 -5.558 2.445 -4.967 243 HG13 ILE 29 2HG1 ILE 29 -5.909 1.713 -6.542 244 HG21 ILE 29 1HG2 ILE 29 -8.789 2.035 -4.126 245 HG22 ILE 29 2HG2 ILE 29 -8.282 0.703 -3.096 246 HG23 ILE 29 3HG2 ILE 29 -7.323 2.184 -3.154 247 HD11 ILE 29 3HD1 ILE 29 -8.040 2.936 -6.647 248 HD12 ILE 29 1HD1 ILE 29 -7.639 3.753 -5.112 249 HD13 ILE 29 2HD1 ILE 29 -6.622 4.006 -6.528 250 H VAL 30 H VAL 30 -5.861 -2.394 -6.018 251 HA VAL 30 HA VAL 30 -3.044 -1.957 -6.494 252 HB VAL 30 HB VAL 30 -5.087 -3.811 -7.752 253 HG11 VAL 30 1HG1 VAL 30 -3.387 -3.500 -9.479 254 HG12 VAL 30 2HG1 VAL 30 -2.079 -3.680 -8.286 255 HG13 VAL 30 3HG1 VAL 30 -3.093 -5.053 -8.677 256 HG21 VAL 30 3HG2 VAL 30 -4.164 -4.079 -5.281 257 HG22 VAL 30 1HG2 VAL 30 -4.180 -5.471 -6.363 258 HG23 VAL 30 2HG2 VAL 30 -2.680 -4.573 -6.098 259 H HIS 31 H HIS 31 -2.119 -0.656 -7.948 260 HA HIS 31 HA HIS 31 -3.686 0.175 -10.329 261 HB2 HIS 31 1HB HIS 31 -2.474 1.729 -8.138 262 HB3 HIS 31 2HB HIS 31 -1.942 2.272 -9.705 263 HD1 HIS 31 1HD HIS 31 -4.684 1.931 -11.386 264 HD2 HIS 31 2HD HIS 31 -4.186 3.477 -7.491 265 HE1 HIS 31 1HE HIS 31 -6.653 3.507 -10.980 266 H ASN 32 H ASN 32 -0.449 -0.752 -9.134 267 HA ASN 32 HA ASN 32 0.076 -1.582 -11.844 268 HB2 ASN 32 1HB ASN 32 1.073 0.755 -11.757 269 HB3 ASN 32 2HB ASN 32 2.201 0.155 -10.523 270 HD21 ASN 32 1HD2 ASN 32 4.028 0.657 -11.918 271 HD22 ASN 32 2HD2 ASN 32 4.384 -0.440 -13.220 272 H GLU 33 H GLU 33 2.082 -2.830 -11.880 273 HA GLU 33 HA GLU 33 2.532 -4.482 -9.434 274 HB2 GLU 33 1HB GLU 33 1.638 -5.233 -12.229 275 HB3 GLU 33 2HB GLU 33 2.380 -6.415 -11.131 276 HG2 GLU 33 1HG GLU 33 0.579 -6.350 -9.647 277 HG3 GLU 33 2HG GLU 33 0.004 -4.796 -10.207 278 H LEU 34 H LEU 34 4.613 -4.636 -9.150 279 HA LEU 34 HA LEU 34 6.546 -3.978 -11.346 280 HB2 LEU 34 1HB LEU 34 6.649 -3.259 -8.405 281 HB3 LEU 34 2HB LEU 34 7.926 -2.912 -9.542 282 HG LEU 34 HG LEU 34 5.150 -1.857 -10.141 283 HD11 LEU 34 1HD1 LEU 34 5.565 -1.240 -7.782 284 HD12 LEU 34 2HD1 LEU 34 5.569 0.160 -8.875 285 HD13 LEU 34 3HD1 LEU 34 7.097 -0.501 -8.253 286 HD21 LEU 34 3HD2 LEU 34 7.029 -1.654 -11.766 287 HD22 LEU 34 1HD2 LEU 34 7.934 -0.708 -10.559 288 HD23 LEU 34 2HD2 LEU 34 6.405 -0.079 -11.215 289 H GLU 35 H GLU 35 8.926 -4.563 -10.345 290 HA GLU 35 HA GLU 35 8.905 -7.430 -9.530 291 HB2 GLU 35 1HB GLU 35 10.294 -6.094 -11.859 292 HB3 GLU 35 2HB GLU 35 10.838 -7.632 -11.178 293 HG2 GLU 35 1HG GLU 35 8.771 -8.745 -11.648 294 HG3 GLU 35 2HG GLU 35 7.991 -7.232 -12.122 295 H ASP 36 H ASP 36 9.377 -6.592 -7.506 296 HA ASP 36 HA ASP 36 12.151 -6.409 -6.920 297 HB2 ASP 36 1HB ASP 36 11.717 -4.038 -7.817 298 HB3 ASP 36 2HB ASP 36 10.824 -3.750 -6.327 299 H GLY 37 H GLY 37 9.024 -7.065 -5.963 300 HA2 GLY 37 1HA GLY 37 8.143 -7.697 -3.945 301 HA3 GLY 37 2HA GLY 37 9.554 -7.116 -3.074 302 H TRP 38 H TRP 38 7.761 -5.139 -5.437 303 HA TRP 38 HA TRP 38 6.527 -3.473 -3.348 304 HB2 TRP 38 1HB TRP 38 8.446 -2.515 -5.509 305 HB3 TRP 38 2HB TRP 38 7.336 -1.457 -4.657 306 HD1 TRP 38 HD TRP 38 10.566 -3.458 -4.079 307 HE1 TRP 38 1HE TRP 38 11.689 -2.697 -1.987 308 HE3 TRP 38 3HE TRP 38 6.972 -0.259 -2.461 309 HZ2 TRP 38 2HZ TRP 38 10.955 -1.058 0.394 310 HZ3 TRP 38 3HZ TRP 38 7.116 0.826 -0.253 311 HH2 TRP 38 HH TRP 38 9.137 0.432 1.199 312 H MET 39 H MET 39 4.824 -2.098 -4.355 313 HA MET 39 HA MET 39 3.976 -2.795 -7.102 314 HB2 MET 39 1HB MET 39 2.098 -3.082 -4.731 315 HB3 MET 39 2HB MET 39 1.782 -3.505 -6.419 316 HG2 MET 39 1HG MET 39 3.188 -5.420 -6.332 317 HG3 MET 39 2HG MET 39 3.844 -4.988 -4.753 318 HE1 MET 39 3HE MET 39 1.291 -5.819 -2.140 319 HE2 MET 39 1HE MET 39 2.916 -5.226 -2.541 320 HE3 MET 39 2HE MET 39 1.508 -4.206 -2.846 321 H TRP 40 H TRP 40 2.339 -1.141 -7.837 322 HA TRP 40 HA TRP 40 2.398 1.356 -6.189 323 HB2 TRP 40 1HB TRP 40 2.843 1.358 -8.704 324 HB3 TRP 40 2HB TRP 40 1.098 1.161 -8.885 325 HD1 TRP 40 HD TRP 40 -0.436 3.292 -7.879 326 HE1 TRP 40 1HE TRP 40 0.130 5.812 -7.756 327 HE3 TRP 40 3HE TRP 40 4.633 2.957 -8.157 328 HZ2 TRP 40 2HZ TRP 40 2.502 7.457 -7.974 329 HZ3 TRP 40 3HZ TRP 40 6.044 5.031 -8.150 330 HH2 TRP 40 HH TRP 40 4.971 7.248 -8.079 331 H VAL 41 H VAL 41 0.628 2.115 -5.091 332 HA VAL 41 HA VAL 41 -2.068 1.281 -5.815 333 HB VAL 41 HB VAL 41 -2.677 0.707 -3.578 334 HG11 VAL 41 1HG1 VAL 41 -1.508 -1.342 -3.083 335 HG12 VAL 41 2HG1 VAL 41 -1.715 -1.165 -4.818 336 HG13 VAL 41 3HG1 VAL 41 -0.130 -0.858 -4.069 337 HG21 VAL 41 3HG2 VAL 41 -1.434 2.184 -2.178 338 HG22 VAL 41 1HG2 VAL 41 -1.008 0.537 -1.684 339 HG23 VAL 41 2HG2 VAL 41 0.096 1.485 -2.660 340 H THR 42 H THR 42 -3.617 2.612 -4.361 341 HA THR 42 HA THR 42 -2.478 5.251 -3.635 342 HB THR 42 HB THR 42 -5.352 4.681 -4.458 343 HG1 THR 42 1HG THR 42 -4.768 5.862 -6.339 344 HG21 THR 42 3HG2 THR 42 -5.192 6.571 -2.999 345 HG22 THR 42 1HG2 THR 42 -5.358 7.217 -4.645 346 HG23 THR 42 2HG2 THR 42 -3.769 7.188 -3.858 347 H ASN 43 H ASN 43 -2.841 5.758 -1.461 348 HA ASN 43 HA ASN 43 -4.054 3.696 0.299 349 HB2 ASN 43 1HB ASN 43 -1.911 4.916 0.902 350 HB3 ASN 43 2HB ASN 43 -2.859 6.397 1.053 351 HD21 ASN 43 1HD2 ASN 43 -1.488 5.563 3.351 352 HD22 ASN 43 2HD2 ASN 43 -2.539 4.739 4.488 353 H LEU 44 H LEU 44 -6.118 3.766 0.788 354 HA LEU 44 HA LEU 44 -7.931 5.873 -0.011 355 HB2 LEU 44 1HB LEU 44 -8.295 3.575 1.954 356 HB3 LEU 44 2HB LEU 44 -9.588 4.556 1.265 357 HG LEU 44 HG LEU 44 -7.755 2.680 -0.310 358 HD11 LEU 44 1HD1 LEU 44 -9.731 1.296 -0.555 359 HD12 LEU 44 2HD1 LEU 44 -10.717 2.491 0.332 360 HD13 LEU 44 3HD1 LEU 44 -9.445 1.589 1.176 361 HD21 LEU 44 3HD2 LEU 44 -8.387 4.485 -1.788 362 HD22 LEU 44 1HD2 LEU 44 -10.063 4.447 -1.200 363 HD23 LEU 44 2HD2 LEU 44 -9.423 3.107 -2.163 364 H ARG 45 H ARG 45 -5.743 5.833 2.555 365 HA ARG 45 HA ARG 45 -7.275 7.211 4.550 366 HB2 ARG 45 1HB ARG 45 -5.098 6.109 4.980 367 HB3 ARG 45 2HB ARG 45 -4.265 7.334 4.015 368 HG2 ARG 45 1HG ARG 45 -4.789 9.076 5.583 369 HG3 ARG 45 2HG ARG 45 -6.033 8.091 6.375 370 HD2 ARG 45 1HD ARG 45 -4.172 8.197 7.837 371 HD3 ARG 45 2HD ARG 45 -4.280 6.551 7.209 372 HE ARG 45 HE ARG 45 -2.450 7.087 5.642 373 HH11 ARG 45 1HH1 ARG 45 -2.631 9.493 8.284 374 HH12 ARG 45 2HH1 ARG 45 -0.995 9.272 8.751 375 HH21 ARG 45 1HH2 ARG 45 -0.261 7.281 5.912 376 HH22 ARG 45 2HH2 ARG 45 0.428 7.997 7.349 377 H THR 46 H THR 46 -5.609 8.347 1.581 378 HA THR 46 HA THR 46 -6.910 10.898 1.849 379 HB THR 46 HB THR 46 -5.308 11.143 3.680 380 HG1 THR 46 1HG THR 46 -4.768 13.124 3.230 381 HG21 THR 46 3HG2 THR 46 -3.201 11.007 1.553 382 HG22 THR 46 1HG2 THR 46 -3.425 9.830 2.865 383 HG23 THR 46 2HG2 THR 46 -2.936 11.495 3.239 384 H ASP 47 H ASP 47 -6.044 8.679 -0.225 385 HA ASP 47 HA ASP 47 -5.882 8.571 -2.390 386 HB2 ASP 47 1HB ASP 47 -7.355 10.711 -2.272 387 HB3 ASP 47 2HB ASP 47 -5.913 11.559 -2.814 388 H GLU 48 H GLU 48 -3.513 9.609 -0.595 389 HA GLU 48 HA GLU 48 -1.316 10.354 -2.262 390 HB2 GLU 48 1HB GLU 48 -1.716 8.809 0.324 391 HB3 GLU 48 2HB GLU 48 -0.109 8.877 -0.409 392 HG2 GLU 48 1HG GLU 48 0.042 11.211 -0.247 393 HG3 GLU 48 2HG GLU 48 -1.653 11.408 0.176 394 H GLN 49 H GLN 49 -0.566 9.257 -3.988 395 HA GLN 49 HA GLN 49 -0.720 6.271 -3.960 396 HB2 GLN 49 1HB GLN 49 0.244 7.495 -6.481 397 HB3 GLN 49 2HB GLN 49 -0.761 6.084 -6.169 398 HG2 GLN 49 1HG GLN 49 -2.096 7.403 -7.396 399 HG3 GLN 49 2HG GLN 49 -2.685 7.706 -5.771 400 HE21 GLN 49 1HE2 GLN 49 -3.073 9.755 -5.414 401 HE22 GLN 49 2HE2 GLN 49 -2.346 11.184 -6.100 402 H GLY 50 H GLY 50 1.230 5.226 -4.879 403 HA2 GLY 50 1HA GLY 50 3.715 6.271 -5.297 404 HA3 GLY 50 2HA GLY 50 3.545 6.351 -3.527 405 H LEU 51 H LEU 51 5.118 4.821 -3.171 406 HA LEU 51 HA LEU 51 4.547 2.023 -4.021 407 HB2 LEU 51 1HB LEU 51 7.123 3.482 -3.386 408 HB3 LEU 51 2HB LEU 51 7.034 1.726 -3.537 409 HG LEU 51 HG LEU 51 6.119 3.652 -5.734 410 HD11 LEU 51 1HD1 LEU 51 8.743 2.144 -5.473 411 HD12 LEU 51 2HD1 LEU 51 8.476 3.909 -5.528 412 HD13 LEU 51 3HD1 LEU 51 8.152 2.941 -6.955 413 HD21 LEU 51 3HD2 LEU 51 5.002 1.537 -5.995 414 HD22 LEU 51 1HD2 LEU 51 6.503 0.634 -5.661 415 HD23 LEU 51 2HD2 LEU 51 6.328 1.582 -7.151 416 H ILE 52 H ILE 52 4.494 0.361 -2.657 417 HA ILE 52 HA ILE 52 4.841 0.619 0.223 418 HB ILE 52 HB ILE 52 2.781 -0.551 0.690 419 HG12 ILE 52 1HG1 ILE 52 1.102 -0.422 -1.526 420 HG13 ILE 52 2HG1 ILE 52 2.632 -0.967 -2.201 421 HG21 ILE 52 1HG2 ILE 52 1.061 1.136 0.232 422 HG22 ILE 52 2HG2 ILE 52 2.609 1.908 0.673 423 HG23 ILE 52 3HG2 ILE 52 2.085 1.854 -1.022 424 HD11 ILE 52 3HD1 ILE 52 1.380 -2.247 0.263 425 HD12 ILE 52 1HD1 ILE 52 0.965 -2.746 -1.380 426 HD13 ILE 52 2HD1 ILE 52 2.642 -2.917 -0.801 427 H VAL 53 H VAL 53 5.487 -1.406 1.093 428 HA VAL 53 HA VAL 53 6.540 -3.300 -0.877 429 HB VAL 53 HB VAL 53 7.796 -2.289 1.114 430 HG11 VAL 53 1HG1 VAL 53 6.387 -4.428 2.728 431 HG12 VAL 53 2HG1 VAL 53 7.634 -3.287 3.280 432 HG13 VAL 53 3HG1 VAL 53 6.021 -2.707 2.839 433 HG21 VAL 53 3HG2 VAL 53 9.101 -4.319 1.542 434 HG22 VAL 53 1HG2 VAL 53 7.832 -5.309 0.775 435 HG23 VAL 53 2HG2 VAL 53 8.727 -4.097 -0.167 436 H GLU 54 H GLU 54 5.952 -5.493 -1.007 437 HA GLU 54 HA GLU 54 3.225 -6.104 -0.374 438 HB2 GLU 54 1HB GLU 54 3.734 -8.281 -1.372 439 HB3 GLU 54 2HB GLU 54 4.361 -6.950 -2.351 440 HG2 GLU 54 1HG GLU 54 6.641 -7.344 -1.371 441 HG3 GLU 54 2HG GLU 54 6.002 -8.716 -0.471 442 H ASP 55 H ASP 55 5.994 -6.239 1.534 443 HA ASP 55 HA ASP 55 5.684 -8.655 2.963 444 HB2 ASP 55 1HB ASP 55 7.667 -6.960 2.732 445 HB3 ASP 55 2HB ASP 55 6.960 -6.175 4.138 446 H LEU 56 H LEU 56 3.856 -5.784 3.255 447 HA LEU 56 HA LEU 56 3.222 -6.238 6.149 448 HB2 LEU 56 1HB LEU 56 3.440 -3.606 4.649 449 HB3 LEU 56 2HB LEU 56 3.115 -3.801 6.366 450 HG LEU 56 HG LEU 56 5.701 -4.493 4.930 451 HD11 LEU 56 1HD1 LEU 56 5.032 -2.313 6.943 452 HD12 LEU 56 2HD1 LEU 56 5.384 -2.095 5.210 453 HD13 LEU 56 3HD1 LEU 56 6.647 -2.691 6.291 454 HD21 LEU 56 3HD2 LEU 56 6.702 -4.967 7.049 455 HD22 LEU 56 1HD2 LEU 56 5.327 -6.040 6.872 456 HD23 LEU 56 2HD2 LEU 56 5.207 -4.605 7.920 457 H VAL 57 H VAL 57 1.743 -6.758 3.328 458 HA VAL 57 HA VAL 57 -0.829 -5.588 4.191 459 HB VAL 57 HB VAL 57 -1.445 -5.421 1.807 460 HG11 VAL 57 1HG1 VAL 57 -0.571 -3.474 3.114 461 HG12 VAL 57 2HG1 VAL 57 1.042 -3.784 2.450 462 HG13 VAL 57 3HG1 VAL 57 -0.304 -3.353 1.372 463 HG21 VAL 57 3HG2 VAL 57 0.209 -7.023 0.827 464 HG22 VAL 57 1HG2 VAL 57 0.244 -5.439 0.045 465 HG23 VAL 57 2HG2 VAL 57 1.513 -5.877 1.203 466 H GLU 58 H GLU 58 -2.726 -6.820 3.623 467 HA GLU 58 HA GLU 58 -2.216 -9.702 3.126 468 HB2 GLU 58 1HB GLU 58 -4.157 -10.239 4.402 469 HB3 GLU 58 2HB GLU 58 -3.044 -9.349 5.431 470 HG2 GLU 58 1HG GLU 58 -4.434 -7.352 5.340 471 HG3 GLU 58 2HG GLU 58 -5.424 -8.038 4.050 472 H GLU 59 H GLU 59 -3.604 -10.797 1.873 473 HA GLU 59 HA GLU 59 -4.987 -9.308 -0.166 474 HB2 GLU 59 1HB GLU 59 -4.887 -12.311 0.514 475 HB3 GLU 59 2HB GLU 59 -5.661 -11.603 -0.897 476 HG2 GLU 59 1HG GLU 59 -3.412 -10.883 -1.732 477 HG3 GLU 59 2HG GLU 59 -2.735 -12.006 -0.521 478 H VAL 60 H VAL 60 -6.253 -8.290 1.646 479 HA VAL 60 HA VAL 60 -8.541 -9.584 2.685 480 HB VAL 60 HB VAL 60 -7.628 -7.539 3.472 481 HG11 VAL 60 1HG1 VAL 60 -8.032 -6.468 0.727 482 HG12 VAL 60 2HG1 VAL 60 -8.169 -5.358 2.105 483 HG13 VAL 60 3HG1 VAL 60 -6.713 -6.323 1.878 484 HG21 VAL 60 3HG2 VAL 60 -10.081 -7.845 3.859 485 HG22 VAL 60 1HG2 VAL 60 -9.628 -6.142 3.745 486 HG23 VAL 60 2HG2 VAL 60 -10.413 -6.919 2.373 487 H GLY 61 H GLY 61 -10.685 -9.698 2.023 488 HA2 GLY 61 1HA GLY 61 -11.335 -9.109 -0.832 489 HA3 GLY 61 2HA GLY 61 -11.768 -10.594 -0.013 490 H ARG 62 H ARG 62 -11.890 -7.444 1.453 491 HA ARG 62 HA ARG 62 -14.519 -7.643 2.403 492 HB2 ARG 62 1HB ARG 62 -14.322 -5.592 3.331 493 HB3 ARG 62 2HB ARG 62 -12.642 -6.062 3.229 494 HG2 ARG 62 1HG ARG 62 -14.095 -4.092 1.393 495 HG3 ARG 62 2HG ARG 62 -13.027 -3.715 2.734 496 HD2 ARG 62 1HD ARG 62 -11.753 -3.382 0.786 497 HD3 ARG 62 2HD ARG 62 -11.148 -4.868 1.548 498 HE ARG 62 HE ARG 62 -13.259 -5.238 -0.441 499 HH11 ARG 62 1HH1 ARG 62 -9.774 -5.543 0.127 500 HH12 ARG 62 2HH1 ARG 62 -9.609 -6.813 -1.042 501 HH21 ARG 62 1HH2 ARG 62 -13.027 -6.735 -1.921 502 HH22 ARG 62 2HH2 ARG 62 -11.462 -7.138 -2.609 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -5.683 -9.223 -13.466 2 HA2 GLY 1 1HA GLY 1 -7.136 -7.319 -14.065 3 HA3 GLY 1 2HA GLY 1 -7.644 -8.135 -12.580 4 H ARG 2 H ARG 2 -8.189 -6.717 -11.001 5 HA ARG 2 HA ARG 2 -6.281 -4.702 -10.176 6 HB2 ARG 2 1HB ARG 2 -7.636 -3.434 -11.818 7 HB3 ARG 2 2HB ARG 2 -9.102 -3.825 -10.919 8 HG2 ARG 2 1HG ARG 2 -8.316 -2.537 -8.992 9 HG3 ARG 2 2HG ARG 2 -6.727 -2.301 -9.738 10 HD2 ARG 2 1HD ARG 2 -7.551 -0.873 -11.406 11 HD3 ARG 2 2HD ARG 2 -9.216 -1.388 -11.194 12 HE ARG 2 HE ARG 2 -7.669 0.434 -9.413 13 HH11 ARG 2 1HH1 ARG 2 -10.869 -0.897 -10.302 14 HH12 ARG 2 2HH1 ARG 2 -11.746 0.415 -9.580 15 HH21 ARG 2 1HH2 ARG 2 -8.891 2.251 -8.574 16 HH22 ARG 2 2HH2 ARG 2 -10.586 2.286 -8.787 17 H ARG 3 H ARG 3 -6.132 -5.248 -8.072 18 HA ARG 3 HA ARG 3 -8.407 -6.606 -6.743 19 HB2 ARG 3 1HB ARG 3 -6.123 -7.710 -7.362 20 HB3 ARG 3 2HB ARG 3 -5.479 -6.810 -5.995 21 HG2 ARG 3 1HG ARG 3 -7.742 -8.016 -4.928 22 HG3 ARG 3 2HG ARG 3 -7.187 -9.210 -6.089 23 HD2 ARG 3 1HD ARG 3 -5.165 -9.595 -4.973 24 HD3 ARG 3 2HD ARG 3 -5.142 -7.995 -4.222 25 HE ARG 3 HE ARG 3 -6.599 -8.678 -2.567 26 HH11 ARG 3 1HH1 ARG 3 -5.881 -11.502 -4.528 27 HH12 ARG 3 2HH1 ARG 3 -7.248 -12.410 -4.076 28 HH21 ARG 3 1HH2 ARG 3 -8.213 -10.035 -1.650 29 HH22 ARG 3 2HH2 ARG 3 -8.478 -11.665 -2.185 30 H ARG 4 H ARG 4 -7.370 -6.441 -4.097 31 HA ARG 4 HA ARG 4 -6.574 -3.715 -3.505 32 HB2 ARG 4 1HB ARG 4 -9.037 -5.048 -2.272 33 HB3 ARG 4 2HB ARG 4 -7.995 -3.988 -1.336 34 HG2 ARG 4 1HG ARG 4 -9.290 -2.314 -2.017 35 HG3 ARG 4 2HG ARG 4 -8.307 -2.398 -3.467 36 HD2 ARG 4 1HD ARG 4 -10.401 -2.221 -4.214 37 HD3 ARG 4 2HD ARG 4 -10.060 -3.941 -4.466 38 HE ARG 4 HE ARG 4 -11.279 -4.151 -2.139 39 HH11 ARG 4 1HH1 ARG 4 -12.237 -1.955 -4.761 40 HH12 ARG 4 2HH1 ARG 4 -13.932 -2.092 -4.459 41 HH21 ARG 4 1HH2 ARG 4 -13.599 -4.233 -1.623 42 HH22 ARG 4 2HH2 ARG 4 -14.657 -3.206 -2.524 43 H VAL 5 H VAL 5 -5.541 -3.638 -1.367 44 HA VAL 5 HA VAL 5 -5.129 -6.202 -0.121 45 HB VAL 5 HB VAL 5 -2.786 -5.824 0.394 46 HG11 VAL 5 1HG1 VAL 5 -3.440 -7.314 -1.452 47 HG12 VAL 5 2HG1 VAL 5 -3.308 -5.956 -2.592 48 HG13 VAL 5 3HG1 VAL 5 -1.875 -6.546 -1.731 49 HG21 VAL 5 3HG2 VAL 5 -2.952 -3.524 -1.593 50 HG22 VAL 5 1HG2 VAL 5 -2.533 -3.442 0.148 51 HG23 VAL 5 2HG2 VAL 5 -1.455 -4.239 -0.997 52 H ARG 6 H ARG 6 -4.379 -5.739 2.283 53 HA ARG 6 HA ARG 6 -5.193 -2.992 3.195 54 HB2 ARG 6 1HB ARG 6 -7.065 -4.668 3.564 55 HB3 ARG 6 2HB ARG 6 -5.959 -5.590 4.593 56 HG2 ARG 6 1HG ARG 6 -5.712 -3.400 5.947 57 HG3 ARG 6 2HG ARG 6 -7.100 -2.801 5.026 58 HD2 ARG 6 1HD ARG 6 -6.934 -5.212 6.866 59 HD3 ARG 6 2HD ARG 6 -7.723 -3.678 7.207 60 HE ARG 6 HE ARG 6 -9.369 -4.174 5.459 61 HH11 ARG 6 1HH1 ARG 6 -7.517 -7.037 6.613 62 HH12 ARG 6 2HH1 ARG 6 -8.852 -8.094 6.607 63 HH21 ARG 6 1HH2 ARG 6 -11.250 -5.612 5.797 64 HH22 ARG 6 2HH2 ARG 6 -10.960 -7.236 6.243 65 H ALA 7 H ALA 7 -3.775 -2.260 4.931 66 HA ALA 7 HA ALA 7 -1.229 -3.660 5.245 67 HB1 ALA 7 1HB ALA 7 -2.440 -1.209 6.601 68 HB2 ALA 7 2HB ALA 7 -0.761 -1.764 6.770 69 HB3 ALA 7 3HB ALA 7 -1.349 -1.176 5.206 70 H ILE 8 H ILE 8 -0.613 -4.818 6.955 71 HA ILE 8 HA ILE 8 -2.429 -4.964 9.326 72 HB ILE 8 HB ILE 8 -1.940 -7.203 9.753 73 HG12 ILE 8 1HG1 ILE 8 0.426 -7.175 8.696 74 HG13 ILE 8 2HG1 ILE 8 -0.519 -8.657 8.745 75 HG21 ILE 8 1HG2 ILE 8 -3.836 -6.711 8.303 76 HG22 ILE 8 2HG2 ILE 8 -2.856 -6.959 6.858 77 HG23 ILE 8 3HG2 ILE 8 -3.154 -8.312 7.963 78 HD11 ILE 8 3HD1 ILE 8 -0.458 -6.895 6.295 79 HD12 ILE 8 1HD1 ILE 8 0.733 -8.174 6.594 80 HD13 ILE 8 2HD1 ILE 8 -0.981 -8.582 6.422 81 H LEU 9 H LEU 9 0.395 -3.650 8.344 82 HA LEU 9 HA LEU 9 1.446 -3.508 11.088 83 HB2 LEU 9 1HB LEU 9 2.867 -4.631 8.658 84 HB3 LEU 9 2HB LEU 9 3.800 -3.651 9.768 85 HG LEU 9 HG LEU 9 2.174 -5.884 10.971 86 HD11 LEU 9 1HD1 LEU 9 4.802 -6.415 9.534 87 HD12 LEU 9 2HD1 LEU 9 3.200 -6.971 9.002 88 HD13 LEU 9 3HD1 LEU 9 3.883 -7.552 10.527 89 HD21 LEU 9 3HD2 LEU 9 4.990 -4.880 11.471 90 HD22 LEU 9 1HD2 LEU 9 4.097 -6.043 12.474 91 HD23 LEU 9 2HD2 LEU 9 3.538 -4.367 12.389 92 HA PRO 10 HA PRO 10 1.908 0.630 9.455 93 HB2 PRO 10 1HB PRO 10 3.275 1.851 11.418 94 HB3 PRO 10 2HB PRO 10 1.713 1.066 11.805 95 HG2 PRO 10 1HG PRO 10 4.505 -0.086 12.187 96 HG3 PRO 10 2HG PRO 10 3.149 -0.045 13.353 97 HD2 PRO 10 1HD PRO 10 3.720 -2.192 11.723 98 HD3 PRO 10 2HD PRO 10 2.089 -1.834 12.372 99 H TYR 11 H TYR 11 3.586 2.240 8.742 100 HA TYR 11 HA TYR 11 6.368 1.423 8.844 101 HB2 TYR 11 1HB TYR 11 5.165 0.236 6.821 102 HB3 TYR 11 2HB TYR 11 5.146 1.829 6.095 103 HD1 TYR 11 1HD TYR 11 7.337 -0.881 7.453 104 HD2 TYR 11 2HD TYR 11 7.175 2.753 5.170 105 HE1 TYR 11 1HE TYR 11 9.571 -1.377 6.526 106 HE2 TYR 11 2HE TYR 11 9.431 2.350 4.326 107 HH TYR 11 HH TYR 11 11.148 0.869 4.158 108 H THR 12 H THR 12 7.759 3.090 7.743 109 HA THR 12 HA THR 12 6.579 5.780 7.484 110 HB THR 12 HB THR 12 9.010 4.864 9.026 111 HG1 THR 12 1HG THR 12 8.046 5.627 10.592 112 HG21 THR 12 3HG2 THR 12 8.664 7.663 7.901 113 HG22 THR 12 1HG2 THR 12 10.026 6.555 7.703 114 HG23 THR 12 2HG2 THR 12 9.711 7.255 9.285 115 H LYS 13 H LYS 13 6.773 6.300 5.355 116 HA LYS 13 HA LYS 13 8.579 4.929 3.596 117 HB2 LYS 13 1HB LYS 13 8.093 6.649 2.021 118 HB3 LYS 13 2HB LYS 13 6.593 6.045 2.689 119 HG2 LYS 13 1HG LYS 13 6.146 8.125 3.748 120 HG3 LYS 13 2HG LYS 13 7.849 8.540 3.855 121 HD2 LYS 13 1HD LYS 13 7.455 8.472 1.112 122 HD3 LYS 13 2HD LYS 13 5.914 9.106 1.699 123 HE2 LYS 13 1HE LYS 13 8.709 10.114 2.318 124 HE3 LYS 13 2HE LYS 13 7.598 10.822 1.141 125 HZ1 LYS 13 3HZ LYS 13 7.453 12.098 3.131 126 HZ2 LYS 13 1HZ LYS 13 7.308 10.774 4.101 127 HZ3 LYS 13 2HZ LYS 13 6.081 11.205 3.091 128 H VAL 14 H VAL 14 10.442 5.826 2.507 129 HA VAL 14 HA VAL 14 12.127 7.666 4.078 130 HB VAL 14 HB VAL 14 12.460 6.624 1.219 131 HG11 VAL 14 1HG1 VAL 14 13.933 8.503 1.820 132 HG12 VAL 14 2HG1 VAL 14 14.515 7.607 3.249 133 HG13 VAL 14 3HG1 VAL 14 14.836 7.019 1.602 134 HG21 VAL 14 3HG2 VAL 14 13.990 4.904 2.210 135 HG22 VAL 14 1HG2 VAL 14 13.396 5.351 3.826 136 HG23 VAL 14 2HG2 VAL 14 12.303 4.645 2.611 137 HA PRO 15 HA PRO 15 10.175 11.196 1.996 138 HB2 PRO 15 1HB PRO 15 11.904 13.173 2.684 139 HB3 PRO 15 2HB PRO 15 10.790 12.448 3.877 140 HG2 PRO 15 1HG PRO 15 13.721 11.836 3.422 141 HG3 PRO 15 2HG PRO 15 12.850 12.009 4.974 142 HD2 PRO 15 1HD PRO 15 13.427 9.598 3.849 143 HD3 PRO 15 2HD PRO 15 12.051 9.886 4.937 144 H ASP 16 H ASP 16 10.780 12.635 0.172 145 HA ASP 16 HA ASP 16 11.810 13.101 -1.793 146 HB2 ASP 16 1HB ASP 16 13.600 13.799 -0.305 147 HB3 ASP 16 2HB ASP 16 14.334 12.218 -0.360 148 H THR 17 H THR 17 10.737 10.338 -1.165 149 HA THR 17 HA THR 17 11.655 9.063 -3.636 150 HB THR 17 HB THR 17 11.648 6.873 -2.740 151 HG1 THR 17 1HG THR 17 10.925 7.996 -0.219 152 HG21 THR 17 3HG2 THR 17 13.330 8.532 -0.797 153 HG22 THR 17 1HG2 THR 17 13.807 8.084 -2.440 154 HG23 THR 17 2HG2 THR 17 13.558 6.823 -1.221 155 H ASP 18 H ASP 18 9.994 7.379 -4.243 156 HA ASP 18 HA ASP 18 7.478 8.775 -4.404 157 HB2 ASP 18 1HB ASP 18 8.289 6.133 -5.616 158 HB3 ASP 18 2HB ASP 18 7.045 7.240 -6.222 159 H GLU 19 H GLU 19 8.504 6.877 -2.017 160 HA GLU 19 HA GLU 19 6.513 4.779 -1.705 161 HB2 GLU 19 1HB GLU 19 8.542 6.142 0.085 162 HB3 GLU 19 2HB GLU 19 7.521 4.793 0.621 163 HG2 GLU 19 1HG GLU 19 8.640 3.354 -1.085 164 HG3 GLU 19 2HG GLU 19 9.725 4.702 -1.470 165 H ILE 20 H ILE 20 4.983 4.809 0.242 166 HA ILE 20 HA ILE 20 4.314 7.494 1.317 167 HB ILE 20 HB ILE 20 1.864 6.795 1.133 168 HG12 ILE 20 1HG1 ILE 20 2.850 5.075 -1.195 169 HG13 ILE 20 2HG1 ILE 20 2.351 4.417 0.365 170 HG21 ILE 20 1HG2 ILE 20 3.326 7.552 -1.426 171 HG22 ILE 20 2HG2 ILE 20 1.632 7.890 -1.033 172 HG23 ILE 20 3HG2 ILE 20 2.913 8.663 -0.105 173 HD11 ILE 20 3HD1 ILE 20 0.109 5.543 0.041 174 HD12 ILE 20 1HD1 ILE 20 0.620 5.883 -1.630 175 HD13 ILE 20 2HD1 ILE 20 0.487 4.212 -1.067 176 H SER 21 H SER 21 3.985 7.468 3.537 177 HA SER 21 HA SER 21 4.503 5.052 5.017 178 HB2 SER 21 1HB SER 21 3.339 7.741 5.892 179 HB3 SER 21 2HB SER 21 3.848 6.440 6.977 180 HG SER 21 HG SER 21 5.523 7.819 6.879 181 H PHE 22 H PHE 22 2.944 4.072 6.615 182 HA PHE 22 HA PHE 22 0.126 4.654 6.377 183 HB2 PHE 22 1HB PHE 22 -0.527 2.388 5.591 184 HB3 PHE 22 2HB PHE 22 0.292 3.327 4.376 185 HD1 PHE 22 1HD PHE 22 0.537 0.362 6.596 186 HD2 PHE 22 2HD PHE 22 2.474 2.671 3.509 187 HE1 PHE 22 1HE PHE 22 2.015 -1.562 6.065 188 HE2 PHE 22 2HE PHE 22 3.906 0.737 2.957 189 HZ PHE 22 HZ PHE 22 3.697 -1.371 4.224 190 H LEU 23 H LEU 23 -1.118 2.953 7.634 191 HA LEU 23 HA LEU 23 0.428 2.142 10.060 192 HB2 LEU 23 1HB LEU 23 -2.218 3.548 9.703 193 HB3 LEU 23 2HB LEU 23 -1.791 2.775 11.229 194 HG LEU 23 HG LEU 23 0.187 4.731 10.007 195 HD11 LEU 23 1HD1 LEU 23 -0.969 6.612 11.118 196 HD12 LEU 23 2HD1 LEU 23 -2.378 5.535 11.416 197 HD13 LEU 23 3HD1 LEU 23 -1.850 5.911 9.763 198 HD21 LEU 23 3HD2 LEU 23 0.841 3.489 12.009 199 HD22 LEU 23 1HD2 LEU 23 -0.600 4.050 12.875 200 HD23 LEU 23 2HD2 LEU 23 0.668 5.202 12.375 201 H LYS 24 H LYS 24 -0.617 0.445 11.326 202 HA LYS 24 HA LYS 24 -1.435 -1.831 9.810 203 HB2 LYS 24 1HB LYS 24 -0.345 -2.014 11.982 204 HB3 LYS 24 2HB LYS 24 -1.648 -1.118 12.774 205 HG2 LYS 24 1HG LYS 24 -3.224 -2.924 12.432 206 HG3 LYS 24 2HG LYS 24 -2.107 -3.780 11.383 207 HD2 LYS 24 1HD LYS 24 -0.482 -3.786 13.430 208 HD3 LYS 24 2HD LYS 24 -1.892 -3.308 14.377 209 HE2 LYS 24 1HE LYS 24 -1.547 -5.871 12.756 210 HE3 LYS 24 2HE LYS 24 -1.433 -5.708 14.507 211 HZ1 LYS 24 3HZ LYS 24 -3.535 -6.491 14.141 212 HZ2 LYS 24 1HZ LYS 24 -3.827 -5.583 12.828 213 HZ3 LYS 24 2HZ LYS 24 -3.841 -4.893 14.332 214 H GLY 25 H GLY 25 -3.396 -2.142 8.831 215 HA2 GLY 25 1HA GLY 25 -5.686 -2.426 8.910 216 HA3 GLY 25 2HA GLY 25 -5.838 -1.209 10.182 217 H ASP 26 H ASP 26 -3.750 0.129 7.754 218 HA ASP 26 HA ASP 26 -5.908 1.716 6.589 219 HB2 ASP 26 1HB ASP 26 -2.983 1.379 5.786 220 HB3 ASP 26 2HB ASP 26 -4.157 2.469 5.037 221 H MET 27 H MET 27 -6.455 1.516 4.142 222 HA MET 27 HA MET 27 -6.122 -1.209 3.074 223 HB2 MET 27 1HB MET 27 -8.402 -0.537 3.853 224 HB3 MET 27 2HB MET 27 -8.401 0.689 2.568 225 HG2 MET 27 1HG MET 27 -7.793 -1.256 0.996 226 HG3 MET 27 2HG MET 27 -8.066 -2.269 2.414 227 HE1 MET 27 3HE MET 27 -11.034 -3.176 0.173 228 HE2 MET 27 1HE MET 27 -9.261 -3.112 0.077 229 HE3 MET 27 2HE MET 27 -10.021 -3.776 1.534 230 H PHE 28 H PHE 28 -5.425 -1.327 1.042 231 HA PHE 28 HA PHE 28 -4.859 1.166 -0.491 232 HB2 PHE 28 1HB PHE 28 -3.345 -1.465 -0.468 233 HB3 PHE 28 2HB PHE 28 -2.964 -0.118 -1.520 234 HD1 PHE 28 2HD PHE 28 -2.327 2.118 -0.555 235 HD2 PHE 28 1HD PHE 28 -2.275 -1.583 1.677 236 HE1 PHE 28 2HE PHE 28 -0.675 3.088 1.037 237 HE2 PHE 28 1HE PHE 28 -0.609 -0.608 3.247 238 HZ PHE 28 HZ PHE 28 0.184 1.721 2.874 239 H ILE 29 H ILE 29 -4.852 0.780 -2.813 240 HA ILE 29 HA ILE 29 -6.349 -1.606 -3.735 241 HB ILE 29 HB ILE 29 -7.401 -0.381 -5.434 242 HG12 ILE 29 1HG1 ILE 29 -5.810 2.071 -4.564 243 HG13 ILE 29 2HG1 ILE 29 -5.620 1.155 -6.073 244 HG21 ILE 29 1HG2 ILE 29 -8.937 0.983 -4.192 245 HG22 ILE 29 2HG2 ILE 29 -8.350 -0.225 -3.040 246 HG23 ILE 29 3HG2 ILE 29 -7.712 1.424 -2.994 247 HD11 ILE 29 3HD1 ILE 29 -6.856 3.118 -6.557 248 HD12 ILE 29 1HD1 ILE 29 -7.953 1.705 -6.678 249 HD13 ILE 29 2HD1 ILE 29 -8.019 2.793 -5.272 250 H VAL 30 H VAL 30 -5.213 -2.661 -5.444 251 HA VAL 30 HA VAL 30 -2.444 -1.799 -5.884 252 HB VAL 30 HB VAL 30 -2.796 -4.126 -5.573 253 HG11 VAL 30 1HG1 VAL 30 -4.925 -4.600 -5.821 254 HG12 VAL 30 2HG1 VAL 30 -5.016 -3.941 -7.504 255 HG13 VAL 30 3HG1 VAL 30 -4.166 -5.475 -7.160 256 HG21 VAL 30 3HG2 VAL 30 -1.886 -5.164 -7.508 257 HG22 VAL 30 1HG2 VAL 30 -2.357 -3.795 -8.544 258 HG23 VAL 30 2HG2 VAL 30 -1.112 -3.587 -7.282 259 H HIS 31 H HIS 31 -1.782 -0.762 -7.694 260 HA HIS 31 HA HIS 31 -3.715 -0.277 -9.903 261 HB2 HIS 31 1HB HIS 31 -2.518 1.640 -8.031 262 HB3 HIS 31 2HB HIS 31 -1.999 1.980 -9.666 263 HD1 HIS 31 1HD HIS 31 -4.274 1.989 -11.502 264 HD2 HIS 31 2HD HIS 31 -4.580 2.931 -7.430 265 HE1 HIS 31 1HE HIS 31 -6.530 3.196 -11.227 266 H ASN 32 H ASN 32 -0.420 -1.099 -8.945 267 HA ASN 32 HA ASN 32 0.064 -1.837 -11.670 268 HB2 ASN 32 1HB ASN 32 1.026 0.515 -11.555 269 HB3 ASN 32 2HB ASN 32 2.173 -0.098 -10.330 270 HD21 ASN 32 1HD2 ASN 32 4.055 0.277 -11.606 271 HD22 ASN 32 2HD2 ASN 32 4.377 -0.818 -12.931 272 H GLU 33 H GLU 33 1.972 -3.085 -11.812 273 HA GLU 33 HA GLU 33 2.585 -4.697 -9.372 274 HB2 GLU 33 1HB GLU 33 1.770 -5.515 -12.185 275 HB3 GLU 33 2HB GLU 33 2.655 -6.616 -11.113 276 HG2 GLU 33 1HG GLU 33 0.915 -6.758 -9.556 277 HG3 GLU 33 2HG GLU 33 0.172 -5.253 -10.058 278 H LEU 34 H LEU 34 4.627 -4.446 -8.935 279 HA LEU 34 HA LEU 34 6.646 -4.026 -11.114 280 HB2 LEU 34 1HB LEU 34 6.868 -3.231 -8.198 281 HB3 LEU 34 2HB LEU 34 8.065 -2.951 -9.422 282 HG LEU 34 HG LEU 34 5.318 -1.809 -9.935 283 HD11 LEU 34 1HD1 LEU 34 5.767 0.166 -8.652 284 HD12 LEU 34 2HD1 LEU 34 7.297 -0.514 -8.046 285 HD13 LEU 34 3HD1 LEU 34 5.747 -1.239 -7.583 286 HD21 LEU 34 3HD2 LEU 34 8.089 -0.638 -10.366 287 HD22 LEU 34 1HD2 LEU 34 6.550 -0.092 -11.065 288 HD23 LEU 34 2HD2 LEU 34 7.244 -1.643 -11.560 289 H GLU 35 H GLU 35 8.961 -4.858 -9.694 290 HA GLU 35 HA GLU 35 8.352 -7.759 -9.360 291 HB2 GLU 35 1HB GLU 35 10.471 -6.438 -11.094 292 HB3 GLU 35 2HB GLU 35 10.222 -8.174 -10.922 293 HG2 GLU 35 1HG GLU 35 8.062 -8.044 -12.051 294 HG3 GLU 35 2HG GLU 35 8.176 -6.283 -12.164 295 H ASP 36 H ASP 36 9.326 -5.590 -7.585 296 HA ASP 36 HA ASP 36 11.699 -6.970 -6.441 297 HB2 ASP 36 1HB ASP 36 12.384 -5.008 -7.797 298 HB3 ASP 36 2HB ASP 36 11.512 -3.963 -6.676 299 H GLY 37 H GLY 37 9.010 -7.322 -5.635 300 HA2 GLY 37 1HA GLY 37 7.746 -7.470 -3.767 301 HA3 GLY 37 2HA GLY 37 9.057 -6.767 -2.821 302 H TRP 38 H TRP 38 7.869 -4.866 -5.489 303 HA TRP 38 HA TRP 38 6.525 -2.992 -3.595 304 HB2 TRP 38 1HB TRP 38 8.250 -2.466 -6.050 305 HB3 TRP 38 2HB TRP 38 7.229 -1.242 -5.309 306 HD1 TRP 38 HD TRP 38 10.594 -2.898 -4.864 307 HE1 TRP 38 1HE TRP 38 11.740 -2.074 -2.751 308 HE3 TRP 38 3HE TRP 38 6.761 -0.205 -2.903 309 HZ2 TRP 38 2HZ TRP 38 11.116 -0.339 -0.516 310 HZ3 TRP 38 3HZ TRP 38 7.015 1.008 -0.756 311 HH2 TRP 38 HH TRP 38 9.223 0.937 0.455 312 H MET 39 H MET 39 4.711 -1.832 -4.411 313 HA MET 39 HA MET 39 3.637 -2.532 -7.088 314 HB2 MET 39 1HB MET 39 2.112 -2.747 -4.460 315 HB3 MET 39 2HB MET 39 1.354 -2.803 -6.052 316 HG2 MET 39 1HG MET 39 2.467 -4.858 -6.630 317 HG3 MET 39 2HG MET 39 3.487 -4.797 -5.194 318 HE1 MET 39 3HE MET 39 1.472 -4.050 -2.760 319 HE2 MET 39 1HE MET 39 1.360 -5.744 -2.231 320 HE3 MET 39 2HE MET 39 2.893 -5.087 -2.858 321 H TRP 40 H TRP 40 2.409 -0.814 -7.937 322 HA TRP 40 HA TRP 40 2.427 1.758 -6.419 323 HB2 TRP 40 1HB TRP 40 2.686 1.705 -8.974 324 HB3 TRP 40 2HB TRP 40 0.967 1.294 -9.033 325 HD1 TRP 40 HD TRP 40 -0.774 3.266 -8.351 326 HE1 TRP 40 1HE TRP 40 -0.574 5.760 -8.088 327 HE3 TRP 40 3HE TRP 40 4.284 3.489 -8.161 328 HZ2 TRP 40 2HZ TRP 40 1.675 7.696 -7.667 329 HZ3 TRP 40 3HZ TRP 40 5.459 5.647 -7.733 330 HH2 TRP 40 HH TRP 40 4.170 7.706 -7.441 331 H VAL 41 H VAL 41 0.611 2.631 -5.457 332 HA VAL 41 HA VAL 41 -1.947 1.176 -5.611 333 HB VAL 41 HB VAL 41 -2.002 1.081 -3.119 334 HG11 VAL 41 1HG1 VAL 41 0.465 -0.429 -4.042 335 HG12 VAL 41 2HG1 VAL 41 -0.684 -0.859 -2.758 336 HG13 VAL 41 3HG1 VAL 41 -1.190 -0.916 -4.439 337 HG21 VAL 41 3HG2 VAL 41 -0.333 2.930 -2.738 338 HG22 VAL 41 1HG2 VAL 41 -0.121 1.496 -1.740 339 HG23 VAL 41 2HG2 VAL 41 0.952 1.770 -3.127 340 H THR 42 H THR 42 -3.438 2.348 -3.840 341 HA THR 42 HA THR 42 -2.758 5.169 -3.520 342 HB THR 42 HB THR 42 -5.570 4.328 -4.352 343 HG1 THR 42 1HG THR 42 -3.333 5.030 -5.831 344 HG21 THR 42 3HG2 THR 42 -4.207 7.002 -3.839 345 HG22 THR 42 1HG2 THR 42 -5.657 6.336 -3.083 346 HG23 THR 42 2HG2 THR 42 -5.709 6.854 -4.776 347 H ASN 43 H ASN 43 -2.871 5.577 -1.382 348 HA ASN 43 HA ASN 43 -4.197 3.709 0.459 349 HB2 ASN 43 1HB ASN 43 -1.985 4.954 0.940 350 HB3 ASN 43 2HB ASN 43 -2.936 6.405 1.126 351 HD21 ASN 43 1HD2 ASN 43 -1.530 5.313 3.307 352 HD22 ASN 43 2HD2 ASN 43 -2.579 4.626 4.532 353 H LEU 44 H LEU 44 -6.392 3.860 0.223 354 HA LEU 44 HA LEU 44 -7.759 6.186 -0.680 355 HB2 LEU 44 1HB LEU 44 -8.900 3.935 1.022 356 HB3 LEU 44 2HB LEU 44 -9.817 5.117 0.089 357 HG LEU 44 HG LEU 44 -8.036 2.904 -1.002 358 HD11 LEU 44 1HD1 LEU 44 -11.016 3.504 -1.173 359 HD12 LEU 44 2HD1 LEU 44 -10.237 2.175 -0.276 360 HD13 LEU 44 3HD1 LEU 44 -10.200 2.214 -2.060 361 HD21 LEU 44 3HD2 LEU 44 -8.779 3.656 -3.275 362 HD22 LEU 44 1HD2 LEU 44 -7.696 4.800 -2.495 363 HD23 LEU 44 2HD2 LEU 44 -9.443 5.127 -2.543 364 H ARG 45 H ARG 45 -6.384 5.641 2.398 365 HA ARG 45 HA ARG 45 -8.217 7.046 4.046 366 HB2 ARG 45 1HB ARG 45 -6.118 5.558 4.603 367 HB3 ARG 45 2HB ARG 45 -5.208 7.065 4.466 368 HG2 ARG 45 1HG ARG 45 -6.737 7.990 6.281 369 HG3 ARG 45 2HG ARG 45 -7.531 6.416 6.346 370 HD2 ARG 45 1HD ARG 45 -5.965 6.453 8.116 371 HD3 ARG 45 2HD ARG 45 -5.297 5.384 6.882 372 HE ARG 45 HE ARG 45 -3.864 7.303 6.141 373 HH11 ARG 45 1HH1 ARG 45 -4.871 6.993 9.517 374 HH12 ARG 45 2HH1 ARG 45 -3.587 7.974 10.139 375 HH21 ARG 45 1HH2 ARG 45 -2.224 8.734 6.935 376 HH22 ARG 45 2HH2 ARG 45 -1.960 8.831 8.631 377 H THR 46 H THR 46 -6.080 8.299 1.583 378 HA THR 46 HA THR 46 -7.030 10.976 2.060 379 HB THR 46 HB THR 46 -5.406 10.946 3.851 380 HG1 THR 46 1HG THR 46 -4.777 12.428 1.604 381 HG21 THR 46 3HG2 THR 46 -2.966 10.688 3.341 382 HG22 THR 46 1HG2 THR 46 -3.431 9.975 1.790 383 HG23 THR 46 2HG2 THR 46 -3.892 9.177 3.308 384 H ASP 47 H ASP 47 -6.319 8.717 -0.171 385 HA ASP 47 HA ASP 47 -5.778 8.689 -2.334 386 HB2 ASP 47 1HB ASP 47 -7.227 10.912 -2.246 387 HB3 ASP 47 2HB ASP 47 -5.703 11.670 -2.664 388 H GLU 48 H GLU 48 -3.698 9.023 -0.192 389 HA GLU 48 HA GLU 48 -1.352 10.199 -1.507 390 HB2 GLU 48 1HB GLU 48 -1.840 8.550 0.978 391 HB3 GLU 48 2HB GLU 48 -0.237 8.510 0.239 392 HG2 GLU 48 1HG GLU 48 0.023 10.894 0.374 393 HG3 GLU 48 2HG GLU 48 -1.642 11.124 0.879 394 H GLN 49 H GLN 49 -0.950 9.402 -3.459 395 HA GLN 49 HA GLN 49 -1.104 6.484 -3.952 396 HB2 GLN 49 1HB GLN 49 -0.551 8.897 -5.774 397 HB3 GLN 49 2HB GLN 49 -0.607 7.219 -6.322 398 HG2 GLN 49 1HG GLN 49 -2.938 7.038 -5.882 399 HG3 GLN 49 2HG GLN 49 -2.985 8.555 -4.980 400 HE21 GLN 49 1HE2 GLN 49 -4.459 9.822 -6.265 401 HE22 GLN 49 2HE2 GLN 49 -4.079 10.102 -7.957 402 H GLY 50 H GLY 50 0.844 5.447 -4.830 403 HA2 GLY 50 1HA GLY 50 3.378 6.376 -5.125 404 HA3 GLY 50 2HA GLY 50 3.166 6.398 -3.371 405 H LEU 51 H LEU 51 4.909 4.875 -3.557 406 HA LEU 51 HA LEU 51 4.180 2.113 -4.349 407 HB2 LEU 51 1HB LEU 51 6.798 3.425 -3.500 408 HB3 LEU 51 2HB LEU 51 6.643 1.732 -3.938 409 HG LEU 51 HG LEU 51 5.956 4.020 -5.830 410 HD11 LEU 51 1HD1 LEU 51 8.370 3.951 -5.234 411 HD12 LEU 51 2HD1 LEU 51 8.044 3.583 -6.937 412 HD13 LEU 51 3HD1 LEU 51 8.432 2.271 -5.787 413 HD21 LEU 51 3HD2 LEU 51 6.147 2.196 -7.545 414 HD22 LEU 51 1HD2 LEU 51 4.789 1.947 -6.430 415 HD23 LEU 51 2HD2 LEU 51 6.285 1.015 -6.226 416 H ILE 52 H ILE 52 4.103 0.415 -2.950 417 HA ILE 52 HA ILE 52 4.826 0.808 -0.118 418 HB ILE 52 HB ILE 52 2.918 -0.459 0.656 419 HG12 ILE 52 1HG1 ILE 52 0.955 -0.413 -1.294 420 HG13 ILE 52 2HG1 ILE 52 2.388 -0.897 -2.204 421 HG21 ILE 52 1HG2 ILE 52 1.107 1.180 0.255 422 HG22 ILE 52 2HG2 ILE 52 2.651 1.939 0.728 423 HG23 ILE 52 3HG2 ILE 52 2.094 1.984 -0.958 424 HD11 ILE 52 3HD1 ILE 52 1.536 -2.221 0.407 425 HD12 ILE 52 1HD1 ILE 52 0.917 -2.732 -1.166 426 HD13 ILE 52 2HD1 ILE 52 2.659 -2.850 -0.823 427 H VAL 53 H VAL 53 5.507 -1.098 0.855 428 HA VAL 53 HA VAL 53 6.493 -3.152 -1.001 429 HB VAL 53 HB VAL 53 7.923 -2.058 0.771 430 HG11 VAL 53 1HG1 VAL 53 6.188 -2.154 2.636 431 HG12 VAL 53 2HG1 VAL 53 6.534 -3.873 2.768 432 HG13 VAL 53 3HG1 VAL 53 7.823 -2.692 3.064 433 HG21 VAL 53 3HG2 VAL 53 8.604 -4.122 -0.328 434 HG22 VAL 53 1HG2 VAL 53 9.128 -4.105 1.364 435 HG23 VAL 53 2HG2 VAL 53 7.732 -5.089 0.875 436 H GLU 54 H GLU 54 5.715 -5.212 -1.070 437 HA GLU 54 HA GLU 54 3.045 -5.723 -0.264 438 HB2 GLU 54 1HB GLU 54 3.424 -7.932 -1.194 439 HB3 GLU 54 2HB GLU 54 4.201 -6.704 -2.222 440 HG2 GLU 54 1HG GLU 54 6.392 -7.200 -1.055 441 HG3 GLU 54 2HG GLU 54 5.582 -8.498 -0.184 442 H ASP 55 H ASP 55 5.975 -6.051 1.468 443 HA ASP 55 HA ASP 55 5.656 -8.431 2.856 444 HB2 ASP 55 1HB ASP 55 7.731 -7.050 2.620 445 HB3 ASP 55 2HB ASP 55 7.084 -5.928 3.810 446 H LEU 56 H LEU 56 3.948 -5.573 3.388 447 HA LEU 56 HA LEU 56 3.311 -6.190 6.248 448 HB2 LEU 56 1HB LEU 56 3.619 -3.521 4.854 449 HB3 LEU 56 2HB LEU 56 3.270 -3.741 6.570 450 HG LEU 56 HG LEU 56 5.838 -4.553 5.132 451 HD11 LEU 56 1HD1 LEU 56 5.317 -2.330 7.133 452 HD12 LEU 56 2HD1 LEU 56 5.597 -2.136 5.385 453 HD13 LEU 56 3HD1 LEU 56 6.882 -2.792 6.398 454 HD21 LEU 56 3HD2 LEU 56 6.784 -5.047 7.317 455 HD22 LEU 56 1HD2 LEU 56 5.383 -6.069 7.063 456 HD23 LEU 56 2HD2 LEU 56 5.257 -4.636 8.121 457 H VAL 57 H VAL 57 1.838 -6.609 3.429 458 HA VAL 57 HA VAL 57 -0.759 -5.567 4.390 459 HB VAL 57 HB VAL 57 -1.463 -5.276 2.073 460 HG11 VAL 57 1HG1 VAL 57 -0.501 -3.328 3.261 461 HG12 VAL 57 2HG1 VAL 57 1.096 -3.716 2.590 462 HG13 VAL 57 3HG1 VAL 57 -0.244 -3.263 1.519 463 HG21 VAL 57 3HG2 VAL 57 0.095 -5.344 0.191 464 HG22 VAL 57 1HG2 VAL 57 1.417 -5.784 1.269 465 HG23 VAL 57 2HG2 VAL 57 0.091 -6.928 0.983 466 H GLU 58 H GLU 58 -2.613 -6.822 3.343 467 HA GLU 58 HA GLU 58 -2.099 -9.722 2.994 468 HB2 GLU 58 1HB GLU 58 -4.022 -10.243 4.369 469 HB3 GLU 58 2HB GLU 58 -2.933 -9.261 5.339 470 HG2 GLU 58 1HG GLU 58 -4.336 -7.248 4.822 471 HG3 GLU 58 2HG GLU 58 -5.453 -8.257 3.930 472 H GLU 59 H GLU 59 -3.520 -10.783 1.626 473 HA GLU 59 HA GLU 59 -4.698 -9.236 -0.437 474 HB2 GLU 59 1HB GLU 59 -4.663 -12.208 0.235 475 HB3 GLU 59 2HB GLU 59 -5.805 -11.604 -0.944 476 HG2 GLU 59 1HG GLU 59 -3.679 -10.522 -2.072 477 HG3 GLU 59 2HG GLU 59 -2.868 -11.868 -1.243 478 H VAL 60 H VAL 60 -6.038 -7.882 1.092 479 HA VAL 60 HA VAL 60 -8.435 -8.984 2.205 480 HB VAL 60 HB VAL 60 -7.401 -6.769 2.677 481 HG11 VAL 60 1HG1 VAL 60 -7.881 -4.825 1.346 482 HG12 VAL 60 2HG1 VAL 60 -7.255 -6.056 0.231 483 HG13 VAL 60 3HG1 VAL 60 -8.981 -5.734 0.290 484 HG21 VAL 60 3HG2 VAL 60 -9.467 -5.640 3.225 485 HG22 VAL 60 1HG2 VAL 60 -10.372 -6.611 2.060 486 HG23 VAL 60 2HG2 VAL 60 -9.657 -7.386 3.496 487 H GLY 61 H GLY 61 -10.538 -8.991 1.388 488 HA2 GLY 61 1HA GLY 61 -10.976 -8.562 -1.535 489 HA3 GLY 61 2HA GLY 61 -11.380 -10.118 -0.799 490 H ARG 62 H ARG 62 -11.773 -7.230 1.093 491 HA ARG 62 HA ARG 62 -14.514 -7.912 1.684 492 HB2 ARG 62 1HB ARG 62 -14.467 -6.188 3.267 493 HB3 ARG 62 2HB ARG 62 -12.822 -6.816 3.283 494 HG2 ARG 62 1HG ARG 62 -12.173 -4.867 1.771 495 HG3 ARG 62 2HG ARG 62 -13.823 -4.228 1.997 496 HD2 ARG 62 1HD ARG 62 -13.479 -4.316 4.467 497 HD3 ARG 62 2HD ARG 62 -11.816 -4.886 4.173 498 HE ARG 62 HE ARG 62 -12.317 -2.417 2.816 499 HH11 ARG 62 1HH1 ARG 62 -12.046 -3.563 6.154 500 HH12 ARG 62 2HH1 ARG 62 -11.041 -2.244 6.662 501 HH21 ARG 62 1HH2 ARG 62 -11.275 -0.514 3.635 502 HH22 ARG 62 2HH2 ARG 62 -10.423 -0.583 5.155 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -8.967 -7.695 -15.098 2 HA2 GLY 1 1HA GLY 1 -9.632 -5.734 -13.806 3 HA3 GLY 1 2HA GLY 1 -9.697 -7.213 -12.810 4 H ARG 2 H ARG 2 -9.481 -5.244 -11.120 5 HA ARG 2 HA ARG 2 -6.808 -5.609 -10.166 6 HB2 ARG 2 1HB ARG 2 -6.454 -3.260 -9.464 7 HB3 ARG 2 2HB ARG 2 -6.242 -3.551 -11.170 8 HG2 ARG 2 1HG ARG 2 -8.786 -2.327 -9.996 9 HG3 ARG 2 2HG ARG 2 -7.365 -1.403 -10.454 10 HD2 ARG 2 1HD ARG 2 -8.178 -1.194 -12.477 11 HD3 ARG 2 2HD ARG 2 -7.783 -2.896 -12.746 12 HE ARG 2 HE ARG 2 -10.377 -2.445 -11.500 13 HH11 ARG 2 1HH1 ARG 2 -8.728 -2.424 -14.668 14 HH12 ARG 2 2HH1 ARG 2 -10.135 -2.853 -15.578 15 HH21 ARG 2 1HH2 ARG 2 -12.273 -2.537 -12.733 16 HH22 ARG 2 2HH2 ARG 2 -12.253 -2.951 -14.407 17 H ARG 3 H ARG 3 -6.687 -5.213 -7.822 18 HA ARG 3 HA ARG 3 -9.346 -5.534 -6.560 19 HB2 ARG 3 1HB ARG 3 -8.439 -7.415 -5.269 20 HB3 ARG 3 2HB ARG 3 -8.491 -7.693 -6.988 21 HG2 ARG 3 1HG ARG 3 -6.515 -8.669 -6.398 22 HG3 ARG 3 2HG ARG 3 -5.984 -7.155 -7.077 23 HD2 ARG 3 1HD ARG 3 -4.666 -7.582 -5.095 24 HD3 ARG 3 2HD ARG 3 -5.731 -6.264 -4.698 25 HE ARG 3 HE ARG 3 -6.726 -7.542 -3.087 26 HH11 ARG 3 1HH1 ARG 3 -4.598 -9.702 -4.954 27 HH12 ARG 3 2HH1 ARG 3 -5.106 -11.119 -4.127 28 HH21 ARG 3 1HH2 ARG 3 -7.584 -9.413 -2.178 29 HH22 ARG 3 2HH2 ARG 3 -6.940 -10.977 -2.558 30 H ARG 4 H ARG 4 -8.278 -5.880 -3.905 31 HA ARG 4 HA ARG 4 -6.858 -3.318 -3.486 32 HB2 ARG 4 1HB ARG 4 -9.392 -4.135 -1.991 33 HB3 ARG 4 2HB ARG 4 -8.404 -2.695 -1.720 34 HG2 ARG 4 1HG ARG 4 -8.873 -2.122 -4.218 35 HG3 ARG 4 2HG ARG 4 -10.166 -3.338 -4.115 36 HD2 ARG 4 1HD ARG 4 -11.176 -2.053 -2.245 37 HD3 ARG 4 2HD ARG 4 -9.796 -0.923 -2.357 38 HE ARG 4 HE ARG 4 -11.149 -1.194 -4.868 39 HH11 ARG 4 1HH1 ARG 4 -11.428 0.406 -1.713 40 HH12 ARG 4 2HH1 ARG 4 -12.490 1.660 -2.275 41 HH21 ARG 4 1HH2 ARG 4 -12.206 0.769 -5.683 42 HH22 ARG 4 2HH2 ARG 4 -12.900 1.862 -4.538 43 H VAL 5 H VAL 5 -5.769 -3.191 -1.376 44 HA VAL 5 HA VAL 5 -5.404 -5.839 -0.138 45 HB VAL 5 HB VAL 5 -2.953 -5.383 0.070 46 HG11 VAL 5 1HG1 VAL 5 -3.967 -5.769 -2.783 47 HG12 VAL 5 2HG1 VAL 5 -2.412 -6.287 -2.115 48 HG13 VAL 5 3HG1 VAL 5 -3.900 -7.030 -1.526 49 HG21 VAL 5 3HG2 VAL 5 -2.967 -2.956 -0.536 50 HG22 VAL 5 1HG2 VAL 5 -1.846 -3.911 -1.503 51 HG23 VAL 5 2HG2 VAL 5 -3.383 -3.395 -2.210 52 H ARG 6 H ARG 6 -4.260 -5.529 2.092 53 HA ARG 6 HA ARG 6 -4.898 -2.826 3.283 54 HB2 ARG 6 1HB ARG 6 -6.852 -4.052 3.698 55 HB3 ARG 6 2HB ARG 6 -5.979 -5.542 4.063 56 HG2 ARG 6 1HG ARG 6 -5.772 -5.057 6.234 57 HG3 ARG 6 2HG ARG 6 -5.228 -3.426 5.961 58 HD2 ARG 6 1HD ARG 6 -7.251 -3.295 7.183 59 HD3 ARG 6 2HD ARG 6 -7.508 -2.622 5.575 60 HE ARG 6 HE ARG 6 -9.050 -4.256 5.139 61 HH11 ARG 6 1HH1 ARG 6 -6.912 -5.503 7.715 62 HH12 ARG 6 2HH1 ARG 6 -8.043 -6.679 8.260 63 HH21 ARG 6 1HH2 ARG 6 -10.578 -6.079 5.982 64 HH22 ARG 6 2HH2 ARG 6 -9.884 -7.047 7.236 65 H ALA 7 H ALA 7 -3.503 -2.165 4.898 66 HA ALA 7 HA ALA 7 -0.995 -3.619 5.282 67 HB1 ALA 7 1HB ALA 7 -0.837 -1.181 5.220 68 HB2 ALA 7 2HB ALA 7 -2.112 -1.027 6.453 69 HB3 ALA 7 3HB ALA 7 -0.530 -1.706 6.868 70 H ILE 8 H ILE 8 -0.734 -5.144 6.713 71 HA ILE 8 HA ILE 8 -2.647 -5.354 8.988 72 HB ILE 8 HB ILE 8 -1.546 -7.466 9.478 73 HG12 ILE 8 1HG1 ILE 8 0.648 -6.872 8.219 74 HG13 ILE 8 2HG1 ILE 8 0.072 -8.523 8.417 75 HG21 ILE 8 1HG2 ILE 8 -2.661 -8.688 7.607 76 HG22 ILE 8 2HG2 ILE 8 -3.638 -7.347 8.217 77 HG23 ILE 8 3HG2 ILE 8 -2.747 -7.162 6.694 78 HD11 ILE 8 3HD1 ILE 8 -0.484 -6.957 5.914 79 HD12 ILE 8 1HD1 ILE 8 0.958 -7.972 6.127 80 HD13 ILE 8 2HD1 ILE 8 -0.655 -8.702 6.171 81 H LEU 9 H LEU 9 0.204 -3.667 8.433 82 HA LEU 9 HA LEU 9 0.885 -3.296 11.234 83 HB2 LEU 9 1HB LEU 9 2.796 -4.456 11.422 84 HB3 LEU 9 2HB LEU 9 1.665 -5.594 10.791 85 HG LEU 9 HG LEU 9 2.511 -5.027 8.446 86 HD11 LEU 9 1HD1 LEU 9 4.016 -3.264 8.426 87 HD12 LEU 9 2HD1 LEU 9 5.161 -4.215 9.430 88 HD13 LEU 9 3HD1 LEU 9 3.939 -3.195 10.186 89 HD21 LEU 9 3HD2 LEU 9 4.423 -6.553 8.652 90 HD22 LEU 9 1HD2 LEU 9 3.042 -7.136 9.589 91 HD23 LEU 9 2HD2 LEU 9 4.401 -6.360 10.421 92 HA PRO 10 HA PRO 10 1.900 0.499 9.475 93 HB2 PRO 10 1HB PRO 10 3.337 1.724 11.421 94 HB3 PRO 10 2HB PRO 10 1.667 1.183 11.742 95 HG2 PRO 10 1HG PRO 10 4.219 -0.233 12.468 96 HG3 PRO 10 2HG PRO 10 2.776 0.054 13.487 97 HD2 PRO 10 1HD PRO 10 3.271 -2.277 12.088 98 HD3 PRO 10 2HD PRO 10 1.640 -1.718 12.518 99 H TYR 11 H TYR 11 3.595 1.927 8.660 100 HA TYR 11 HA TYR 11 6.337 0.861 8.414 101 HB2 TYR 11 1HB TYR 11 5.261 -0.081 6.497 102 HB3 TYR 11 2HB TYR 11 4.284 1.361 6.251 103 HD1 TYR 11 2HD TYR 11 8.006 0.556 6.365 104 HD2 TYR 11 1HD TYR 11 4.785 2.719 4.459 105 HE1 TYR 11 2HE TYR 11 9.563 1.375 4.620 106 HE2 TYR 11 1HE TYR 11 6.323 3.430 2.672 107 HH TYR 11 HH TYR 11 8.363 2.960 1.677 108 H THR 12 H THR 12 7.745 2.583 7.426 109 HA THR 12 HA THR 12 6.708 5.321 7.735 110 HB THR 12 HB THR 12 9.417 4.399 8.781 111 HG1 THR 12 1HG THR 12 8.433 4.950 10.830 112 HG21 THR 12 3HG2 THR 12 9.436 6.620 7.920 113 HG22 THR 12 1HG2 THR 12 9.346 6.773 9.692 114 HG23 THR 12 2HG2 THR 12 7.893 7.033 8.700 115 H LYS 13 H LYS 13 6.685 5.962 5.696 116 HA LYS 13 HA LYS 13 8.594 5.034 3.716 117 HB2 LYS 13 1HB LYS 13 7.220 6.142 2.208 118 HB3 LYS 13 2HB LYS 13 6.124 5.653 3.472 119 HG2 LYS 13 1HG LYS 13 5.396 7.833 3.391 120 HG3 LYS 13 2HG LYS 13 6.777 8.145 4.395 121 HD2 LYS 13 1HD LYS 13 7.920 8.249 1.892 122 HD3 LYS 13 2HD LYS 13 6.275 8.562 1.455 123 HE2 LYS 13 1HE LYS 13 7.600 10.606 1.785 124 HE3 LYS 13 2HE LYS 13 6.125 10.507 2.756 125 HZ1 LYS 13 3HZ LYS 13 8.792 9.906 3.768 126 HZ2 LYS 13 1HZ LYS 13 7.404 10.080 4.682 127 HZ3 LYS 13 2HZ LYS 13 8.059 11.379 3.889 128 H VAL 14 H VAL 14 9.983 6.555 2.448 129 HA VAL 14 HA VAL 14 11.571 8.094 4.428 130 HB VAL 14 HB VAL 14 12.151 7.285 1.541 131 HG11 VAL 14 1HG1 VAL 14 13.623 9.092 2.307 132 HG12 VAL 14 2HG1 VAL 14 14.029 8.157 3.769 133 HG13 VAL 14 3HG1 VAL 14 14.525 7.595 2.158 134 HG21 VAL 14 3HG2 VAL 14 11.846 5.231 2.846 135 HG22 VAL 14 1HG2 VAL 14 13.546 5.468 2.499 136 HG23 VAL 14 2HG2 VAL 14 12.919 5.854 4.116 137 HA PRO 15 HA PRO 15 10.072 11.882 2.486 138 HB2 PRO 15 1HB PRO 15 12.012 13.635 3.426 139 HB3 PRO 15 2HB PRO 15 10.535 13.149 4.299 140 HG2 PRO 15 1HG PRO 15 13.347 12.223 4.689 141 HG3 PRO 15 2HG PRO 15 12.028 12.320 5.895 142 HD2 PRO 15 1HD PRO 15 12.843 9.951 4.756 143 HD3 PRO 15 2HD PRO 15 11.250 10.263 5.482 144 H ASP 16 H ASP 16 10.534 12.811 0.565 145 HA ASP 16 HA ASP 16 11.499 13.371 -1.357 146 HB2 ASP 16 1HB ASP 16 13.424 14.129 0.064 147 HB3 ASP 16 2HB ASP 16 14.224 12.595 -0.275 148 H THR 17 H THR 17 10.332 10.703 -0.893 149 HA THR 17 HA THR 17 11.603 9.380 -3.202 150 HB THR 17 HB THR 17 11.175 7.189 -2.130 151 HG1 THR 17 1HG THR 17 10.553 7.118 0.035 152 HG21 THR 17 3HG2 THR 17 12.907 8.917 -0.310 153 HG22 THR 17 1HG2 THR 17 13.426 8.264 -1.877 154 HG23 THR 17 2HG2 THR 17 13.013 7.158 -0.568 155 H ASP 18 H ASP 18 10.139 7.768 -4.186 156 HA ASP 18 HA ASP 18 7.655 8.899 -5.008 157 HB2 ASP 18 1HB ASP 18 8.590 6.071 -5.573 158 HB3 ASP 18 2HB ASP 18 7.582 7.099 -6.573 159 H GLU 19 H GLU 19 7.842 8.020 -2.131 160 HA GLU 19 HA GLU 19 6.229 5.530 -1.995 161 HB2 GLU 19 1HB GLU 19 8.103 6.894 -0.029 162 HB3 GLU 19 2HB GLU 19 7.275 5.355 0.227 163 HG2 GLU 19 1HG GLU 19 8.419 4.361 -1.661 164 HG3 GLU 19 2HG GLU 19 9.307 5.850 -1.984 165 H ILE 20 H ILE 20 4.920 5.309 0.066 166 HA ILE 20 HA ILE 20 3.869 7.802 1.185 167 HB ILE 20 HB ILE 20 1.543 6.787 1.036 168 HG12 ILE 20 1HG1 ILE 20 2.431 5.162 -1.356 169 HG13 ILE 20 2HG1 ILE 20 2.609 4.453 0.241 170 HG21 ILE 20 1HG2 ILE 20 1.148 7.531 -1.327 171 HG22 ILE 20 2HG2 ILE 20 2.098 8.669 -0.361 172 HG23 ILE 20 3HG2 ILE 20 2.893 7.650 -1.557 173 HD11 ILE 20 3HD1 ILE 20 0.263 4.761 0.739 174 HD12 ILE 20 1HD1 ILE 20 -0.003 5.524 -0.850 175 HD13 ILE 20 2HD1 ILE 20 0.469 3.821 -0.749 176 H SER 21 H SER 21 2.887 7.434 3.303 177 HA SER 21 HA SER 21 4.124 5.073 4.618 178 HB2 SER 21 1HB SER 21 3.733 6.429 6.700 179 HB3 SER 21 2HB SER 21 4.893 7.118 5.572 180 HG SER 21 HG SER 21 3.561 8.765 5.141 181 H PHE 22 H PHE 22 2.782 4.171 6.534 182 HA PHE 22 HA PHE 22 -0.057 4.506 6.397 183 HB2 PHE 22 1HB PHE 22 -0.495 2.110 5.849 184 HB3 PHE 22 2HB PHE 22 0.029 3.081 4.501 185 HD1 PHE 22 1HD PHE 22 0.923 0.299 6.779 186 HD2 PHE 22 2HD PHE 22 2.145 2.634 3.352 187 HE1 PHE 22 1HE PHE 22 2.445 -1.523 6.071 188 HE2 PHE 22 2HE PHE 22 3.694 0.828 2.684 189 HZ PHE 22 HZ PHE 22 3.812 -1.269 4.000 190 H LEU 23 H LEU 23 -1.087 3.282 8.071 191 HA LEU 23 HA LEU 23 0.780 2.474 10.253 192 HB2 LEU 23 1HB LEU 23 -1.911 3.831 10.235 193 HB3 LEU 23 2HB LEU 23 -1.410 2.949 11.641 194 HG LEU 23 HG LEU 23 -1.010 5.341 11.841 195 HD11 LEU 23 1HD1 LEU 23 1.193 5.189 12.839 196 HD12 LEU 23 2HD1 LEU 23 1.574 3.736 11.910 197 HD13 LEU 23 3HD1 LEU 23 0.298 3.693 13.153 198 HD21 LEU 23 3HD2 LEU 23 1.285 5.096 9.865 199 HD22 LEU 23 1HD2 LEU 23 0.774 6.529 10.766 200 HD23 LEU 23 2HD2 LEU 23 -0.267 5.872 9.499 201 H LYS 24 H LYS 24 -0.405 0.920 11.800 202 HA LYS 24 HA LYS 24 -1.214 -1.467 10.460 203 HB2 LYS 24 1HB LYS 24 -0.314 -1.042 12.909 204 HB3 LYS 24 2HB LYS 24 -1.995 -0.768 13.332 205 HG2 LYS 24 1HG LYS 24 -2.630 -2.984 12.781 206 HG3 LYS 24 2HG LYS 24 -1.191 -3.218 11.806 207 HD2 LYS 24 1HD LYS 24 0.200 -3.089 13.962 208 HD3 LYS 24 2HD LYS 24 -1.342 -3.151 14.836 209 HE2 LYS 24 1HE LYS 24 -1.825 -5.207 13.274 210 HE3 LYS 24 2HE LYS 24 -0.080 -5.210 12.995 211 HZ1 LYS 24 3HZ LYS 24 -1.497 -5.576 15.548 212 HZ2 LYS 24 1HZ LYS 24 0.140 -5.412 15.457 213 HZ3 LYS 24 2HZ LYS 24 -0.565 -6.696 14.746 214 H GLY 25 H GLY 25 -3.160 -1.843 9.412 215 HA2 GLY 25 1HA GLY 25 -5.509 -2.024 9.480 216 HA3 GLY 25 2HA GLY 25 -5.602 -0.603 10.515 217 H ASP 26 H ASP 26 -3.418 0.176 8.022 218 HA ASP 26 HA ASP 26 -5.311 1.858 6.645 219 HB2 ASP 26 1HB ASP 26 -2.415 1.330 6.625 220 HB3 ASP 26 2HB ASP 26 -3.048 1.559 5.006 221 H MET 27 H MET 27 -5.670 1.727 4.180 222 HA MET 27 HA MET 27 -5.778 -1.021 3.151 223 HB2 MET 27 1HB MET 27 -7.925 -0.488 4.217 224 HB3 MET 27 2HB MET 27 -8.069 0.933 3.151 225 HG2 MET 27 1HG MET 27 -8.016 -0.452 1.180 226 HG3 MET 27 2HG MET 27 -7.462 -1.818 2.153 227 HE1 MET 27 3HE MET 27 -10.811 -3.036 0.652 228 HE2 MET 27 1HE MET 27 -9.629 -1.932 -0.076 229 HE3 MET 27 2HE MET 27 -9.056 -3.326 0.852 230 H PHE 28 H PHE 28 -5.559 -1.041 0.858 231 HA PHE 28 HA PHE 28 -5.229 1.525 -0.529 232 HB2 PHE 28 1HB PHE 28 -3.247 -0.671 -1.081 233 HB3 PHE 28 2HB PHE 28 -3.112 1.048 -1.369 234 HD1 PHE 28 2HD PHE 28 -2.955 -1.596 1.206 235 HD2 PHE 28 1HD PHE 28 -2.050 2.506 0.215 236 HE1 PHE 28 2HE PHE 28 -1.516 -1.431 3.190 237 HE2 PHE 28 1HE PHE 28 -0.618 2.670 2.250 238 HZ PHE 28 HZ PHE 28 -0.381 0.668 3.733 239 H ILE 29 H ILE 29 -4.842 0.968 -2.943 240 HA ILE 29 HA ILE 29 -6.446 -1.373 -3.821 241 HB ILE 29 HB ILE 29 -7.523 -0.064 -5.465 242 HG12 ILE 29 1HG1 ILE 29 -5.712 2.237 -4.612 243 HG13 ILE 29 2HG1 ILE 29 -5.693 1.395 -6.163 244 HG21 ILE 29 1HG2 ILE 29 -7.617 1.795 -3.067 245 HG22 ILE 29 2HG2 ILE 29 -8.949 1.255 -4.119 246 HG23 ILE 29 3HG2 ILE 29 -8.209 0.145 -2.945 247 HD11 ILE 29 3HD1 ILE 29 -7.934 3.150 -5.141 248 HD12 ILE 29 1HD1 ILE 29 -6.764 3.498 -6.429 249 HD13 ILE 29 2HD1 ILE 29 -7.964 2.182 -6.628 250 H VAL 30 H VAL 30 -5.532 -2.461 -5.616 251 HA VAL 30 HA VAL 30 -2.661 -1.854 -5.974 252 HB VAL 30 HB VAL 30 -3.084 -4.108 -5.682 253 HG11 VAL 30 1HG1 VAL 30 -5.292 -3.970 -7.616 254 HG12 VAL 30 2HG1 VAL 30 -4.432 -5.499 -7.245 255 HG13 VAL 30 3HG1 VAL 30 -5.173 -4.597 -5.925 256 HG21 VAL 30 3HG2 VAL 30 -2.632 -3.849 -8.677 257 HG22 VAL 30 1HG2 VAL 30 -1.380 -3.575 -7.435 258 HG23 VAL 30 2HG2 VAL 30 -2.111 -5.169 -7.618 259 H HIS 31 H HIS 31 -1.717 -0.818 -7.676 260 HA HIS 31 HA HIS 31 -3.300 -0.388 -10.141 261 HB2 HIS 31 1HB HIS 31 -2.254 1.634 -8.191 262 HB3 HIS 31 2HB HIS 31 -2.021 2.004 -9.887 263 HD1 HIS 31 1HD HIS 31 -4.680 1.062 -11.200 264 HD2 HIS 31 2HD HIS 31 -4.305 3.032 -7.498 265 HE1 HIS 31 1HE HIS 31 -6.927 2.156 -10.767 266 H ASN 32 H ASN 32 -0.087 -1.071 -8.808 267 HA ASN 32 HA ASN 32 0.455 -2.080 -11.388 268 HB2 ASN 32 1HB ASN 32 1.417 0.247 -11.677 269 HB3 ASN 32 2HB ASN 32 2.585 -0.133 -10.396 270 HD21 ASN 32 1HD2 ASN 32 4.532 -0.214 -11.719 271 HD22 ASN 32 2HD2 ASN 32 4.699 -1.396 -12.974 272 H GLU 33 H GLU 33 2.523 -3.300 -11.299 273 HA GLU 33 HA GLU 33 2.976 -4.547 -8.613 274 HB2 GLU 33 1HB GLU 33 2.022 -5.781 -11.224 275 HB3 GLU 33 2HB GLU 33 2.739 -6.747 -9.921 276 HG2 GLU 33 1HG GLU 33 1.043 -6.138 -8.367 277 HG3 GLU 33 2HG GLU 33 0.413 -4.864 -9.388 278 H LEU 34 H LEU 34 5.069 -4.421 -8.290 279 HA LEU 34 HA LEU 34 6.930 -4.244 -10.632 280 HB2 LEU 34 1HB LEU 34 7.201 -3.112 -7.838 281 HB3 LEU 34 2HB LEU 34 8.380 -2.934 -9.106 282 HG LEU 34 HG LEU 34 5.626 -2.062 -9.908 283 HD11 LEU 34 1HD1 LEU 34 5.707 0.047 -8.690 284 HD12 LEU 34 2HD1 LEU 34 7.130 -0.521 -7.783 285 HD13 LEU 34 3HD1 LEU 34 5.565 -1.330 -7.584 286 HD21 LEU 34 3HD2 LEU 34 8.342 -0.725 -10.025 287 HD22 LEU 34 1HD2 LEU 34 6.857 -0.210 -10.858 288 HD23 LEU 34 2HD2 LEU 34 7.626 -1.762 -11.286 289 H GLU 35 H GLU 35 9.052 -5.088 -10.448 290 HA GLU 35 HA GLU 35 8.890 -7.807 -9.418 291 HB2 GLU 35 1HB GLU 35 10.945 -6.478 -11.208 292 HB3 GLU 35 2HB GLU 35 10.729 -8.185 -10.917 293 HG2 GLU 35 1HG GLU 35 8.712 -8.248 -12.210 294 HG3 GLU 35 2HG GLU 35 8.492 -6.492 -12.128 295 H ASP 36 H ASP 36 9.210 -6.302 -7.328 296 HA ASP 36 HA ASP 36 11.574 -7.380 -6.109 297 HB2 ASP 36 1HB ASP 36 12.631 -5.403 -7.204 298 HB3 ASP 36 2HB ASP 36 11.609 -4.343 -6.235 299 H GLY 37 H GLY 37 8.751 -7.504 -5.757 300 HA2 GLY 37 1HA GLY 37 7.312 -7.742 -4.039 301 HA3 GLY 37 2HA GLY 37 8.529 -7.121 -2.924 302 H TRP 38 H TRP 38 8.216 -4.783 -5.252 303 HA TRP 38 HA TRP 38 6.548 -3.117 -3.484 304 HB2 TRP 38 1HB TRP 38 8.304 -2.546 -5.888 305 HB3 TRP 38 2HB TRP 38 7.285 -1.324 -5.141 306 HD1 TRP 38 HD TRP 38 10.614 -3.057 -4.614 307 HE1 TRP 38 1HE TRP 38 11.709 -2.242 -2.498 308 HE3 TRP 38 3HE TRP 38 6.689 -0.498 -2.695 309 HZ2 TRP 38 2HZ TRP 38 10.935 -0.667 -0.125 310 HZ3 TRP 38 3HZ TRP 38 6.772 0.464 -0.431 311 HH2 TRP 38 HH TRP 38 8.941 0.471 0.850 312 H MET 39 H MET 39 4.711 -1.938 -4.182 313 HA MET 39 HA MET 39 3.551 -2.587 -6.827 314 HB2 MET 39 1HB MET 39 2.095 -2.824 -4.177 315 HB3 MET 39 2HB MET 39 1.346 -2.968 -5.764 316 HG2 MET 39 1HG MET 39 2.644 -4.976 -6.272 317 HG3 MET 39 2HG MET 39 3.519 -4.852 -4.748 318 HE1 MET 39 3HE MET 39 2.597 -4.992 -2.479 319 HE2 MET 39 1HE MET 39 1.049 -4.144 -2.609 320 HE3 MET 39 2HE MET 39 1.086 -5.820 -2.022 321 H TRP 40 H TRP 40 2.618 -0.857 -7.666 322 HA TRP 40 HA TRP 40 2.523 1.714 -6.173 323 HB2 TRP 40 1HB TRP 40 3.088 1.594 -8.661 324 HB3 TRP 40 2HB TRP 40 1.387 1.202 -8.941 325 HD1 TRP 40 HD TRP 40 -0.404 3.176 -8.504 326 HE1 TRP 40 1HE TRP 40 -0.215 5.679 -8.319 327 HE3 TRP 40 3HE TRP 40 4.604 3.406 -7.800 328 HZ2 TRP 40 2HZ TRP 40 1.981 7.639 -7.736 329 HZ3 TRP 40 3HZ TRP 40 5.748 5.593 -7.368 330 HH2 TRP 40 HH TRP 40 4.457 7.677 -7.327 331 H VAL 41 H VAL 41 0.666 2.606 -5.322 332 HA VAL 41 HA VAL 41 -1.942 1.243 -5.747 333 HB VAL 41 HB VAL 41 -2.220 1.102 -3.304 334 HG11 VAL 41 1HG1 VAL 41 0.330 -0.383 -4.003 335 HG12 VAL 41 2HG1 VAL 41 -0.883 -0.809 -2.785 336 HG13 VAL 41 3HG1 VAL 41 -1.293 -0.889 -4.498 337 HG21 VAL 41 3HG2 VAL 41 -0.618 2.959 -2.693 338 HG22 VAL 41 1HG2 VAL 41 -0.496 1.508 -1.699 339 HG23 VAL 41 2HG2 VAL 41 0.710 1.815 -2.961 340 H THR 42 H THR 42 -3.561 2.408 -4.164 341 HA THR 42 HA THR 42 -2.832 5.208 -3.728 342 HB THR 42 HB THR 42 -5.661 4.443 -4.530 343 HG1 THR 42 1HG THR 42 -3.451 5.121 -6.036 344 HG21 THR 42 3HG2 THR 42 -4.259 7.109 -4.072 345 HG22 THR 42 1HG2 THR 42 -5.548 6.401 -3.105 346 HG23 THR 42 2HG2 THR 42 -5.885 6.905 -4.759 347 H ASN 43 H ASN 43 -2.968 5.578 -1.654 348 HA ASN 43 HA ASN 43 -4.149 3.727 0.295 349 HB2 ASN 43 1HB ASN 43 -1.951 4.840 0.677 350 HB3 ASN 43 2HB ASN 43 -2.710 6.407 0.492 351 HD21 ASN 43 1HD2 ASN 43 -2.514 3.605 2.762 352 HD22 ASN 43 2HD2 ASN 43 -3.450 4.413 4.004 353 H LEU 44 H LEU 44 -6.306 3.947 0.773 354 HA LEU 44 HA LEU 44 -7.682 6.382 -0.219 355 HB2 LEU 44 1HB LEU 44 -8.876 3.864 0.962 356 HB3 LEU 44 2HB LEU 44 -9.737 5.197 0.201 357 HG LEU 44 HG LEU 44 -8.117 3.031 -1.082 358 HD11 LEU 44 1HD1 LEU 44 -10.666 4.468 -1.932 359 HD12 LEU 44 2HD1 LEU 44 -10.638 3.022 -0.930 360 HD13 LEU 44 3HD1 LEU 44 -10.029 2.955 -2.602 361 HD21 LEU 44 3HD2 LEU 44 -8.121 4.307 -3.255 362 HD22 LEU 44 1HD2 LEU 44 -6.988 4.933 -2.078 363 HD23 LEU 44 2HD2 LEU 44 -8.523 5.776 -2.343 364 H ARG 45 H ARG 45 -5.986 6.205 2.427 365 HA ARG 45 HA ARG 45 -7.982 7.214 4.377 366 HB2 ARG 45 1HB ARG 45 -5.717 5.858 4.799 367 HB3 ARG 45 2HB ARG 45 -4.981 7.461 4.640 368 HG2 ARG 45 1HG ARG 45 -6.494 8.274 6.472 369 HG3 ARG 45 2HG ARG 45 -7.098 6.610 6.638 370 HD2 ARG 45 1HD ARG 45 -5.391 6.612 8.237 371 HD3 ARG 45 2HD ARG 45 -4.548 5.979 6.839 372 HE ARG 45 HE ARG 45 -3.289 7.958 6.682 373 HH11 ARG 45 1HH1 ARG 45 -6.034 8.542 8.860 374 HH12 ARG 45 2HH1 ARG 45 -5.328 9.967 9.536 375 HH21 ARG 45 1HH2 ARG 45 -2.316 9.688 7.704 376 HH22 ARG 45 2HH2 ARG 45 -3.146 10.675 8.846 377 H THR 46 H THR 46 -6.008 8.394 1.770 378 HA THR 46 HA THR 46 -6.892 11.131 2.234 379 HB THR 46 HB THR 46 -5.084 10.799 3.862 380 HG1 THR 46 1HG THR 46 -3.889 12.623 3.230 381 HG21 THR 46 3HG2 THR 46 -3.425 10.186 1.445 382 HG22 THR 46 1HG2 THR 46 -3.695 9.166 2.879 383 HG23 THR 46 2HG2 THR 46 -2.741 10.646 3.011 384 H ASP 47 H ASP 47 -6.449 8.731 0.088 385 HA ASP 47 HA ASP 47 -6.201 8.474 -2.066 386 HB2 ASP 47 1HB ASP 47 -7.718 10.524 -2.161 387 HB3 ASP 47 2HB ASP 47 -6.267 11.449 -2.580 388 H GLU 48 H GLU 48 -3.892 8.820 -0.299 389 HA GLU 48 HA GLU 48 -1.762 10.118 -1.775 390 HB2 GLU 48 1HB GLU 48 -2.025 8.542 0.749 391 HB3 GLU 48 2HB GLU 48 -0.528 8.252 -0.112 392 HG2 GLU 48 1HG GLU 48 -0.089 10.679 -0.249 393 HG3 GLU 48 2HG GLU 48 -1.583 10.987 0.620 394 H GLN 49 H GLN 49 -1.323 9.371 -3.816 395 HA GLN 49 HA GLN 49 -1.053 6.438 -4.193 396 HB2 GLN 49 1HB GLN 49 -0.426 8.750 -6.103 397 HB3 GLN 49 2HB GLN 49 -0.360 7.040 -6.484 398 HG2 GLN 49 1HG GLN 49 -2.381 7.520 -7.367 399 HG3 GLN 49 2HG GLN 49 -2.822 6.954 -5.776 400 HE21 GLN 49 1HE2 GLN 49 -4.883 8.032 -6.402 401 HE22 GLN 49 2HE2 GLN 49 -5.095 9.695 -5.923 402 H GLY 50 H GLY 50 0.886 5.453 -4.687 403 HA2 GLY 50 1HA GLY 50 3.413 6.318 -5.044 404 HA3 GLY 50 2HA GLY 50 3.218 6.494 -3.303 405 H LEU 51 H LEU 51 5.006 4.839 -3.595 406 HA LEU 51 HA LEU 51 4.177 2.094 -4.180 407 HB2 LEU 51 1HB LEU 51 6.780 3.391 -3.264 408 HB3 LEU 51 2HB LEU 51 6.631 1.666 -3.572 409 HG LEU 51 HG LEU 51 6.011 3.785 -5.668 410 HD11 LEU 51 1HD1 LEU 51 8.549 2.144 -5.412 411 HD12 LEU 51 2HD1 LEU 51 8.394 3.849 -4.945 412 HD13 LEU 51 3HD1 LEU 51 8.162 3.391 -6.636 413 HD21 LEU 51 3HD2 LEU 51 6.458 0.774 -5.833 414 HD22 LEU 51 1HD2 LEU 51 6.278 1.855 -7.227 415 HD23 LEU 51 2HD2 LEU 51 4.927 1.622 -6.122 416 H ILE 52 H ILE 52 3.871 0.433 -2.826 417 HA ILE 52 HA ILE 52 4.713 0.554 -0.017 418 HB ILE 52 HB ILE 52 2.701 -0.481 0.792 419 HG12 ILE 52 1HG1 ILE 52 0.644 -0.256 -0.943 420 HG13 ILE 52 2HG1 ILE 52 1.949 -0.605 -2.094 421 HG21 ILE 52 1HG2 ILE 52 2.810 2.008 0.759 422 HG22 ILE 52 2HG2 ILE 52 1.927 2.002 -0.780 423 HG23 ILE 52 3HG2 ILE 52 1.150 1.376 0.681 424 HD11 ILE 52 3HD1 ILE 52 2.337 -2.750 -1.046 425 HD12 ILE 52 1HD1 ILE 52 1.384 -2.290 0.379 426 HD13 ILE 52 2HD1 ILE 52 0.577 -2.566 -1.172 427 H VAL 53 H VAL 53 4.838 -1.825 0.823 428 HA VAL 53 HA VAL 53 5.780 -3.528 -1.411 429 HB VAL 53 HB VAL 53 7.537 -2.619 0.024 430 HG11 VAL 53 1HG1 VAL 53 7.769 -3.322 2.384 431 HG12 VAL 53 2HG1 VAL 53 6.356 -2.296 2.136 432 HG13 VAL 53 3HG1 VAL 53 6.158 -4.055 2.308 433 HG21 VAL 53 3HG2 VAL 53 7.174 -5.616 0.362 434 HG22 VAL 53 1HG2 VAL 53 7.969 -4.760 -0.978 435 HG23 VAL 53 2HG2 VAL 53 8.664 -4.717 0.639 436 H GLU 54 H GLU 54 5.291 -5.759 -1.360 437 HA GLU 54 HA GLU 54 2.696 -6.366 -0.388 438 HB2 GLU 54 1HB GLU 54 2.945 -8.444 -1.530 439 HB3 GLU 54 2HB GLU 54 3.504 -7.089 -2.500 440 HG2 GLU 54 1HG GLU 54 5.900 -7.754 -1.710 441 HG3 GLU 54 2HG GLU 54 5.152 -9.249 -1.174 442 H ASP 55 H ASP 55 5.761 -6.612 1.084 443 HA ASP 55 HA ASP 55 5.504 -8.928 2.639 444 HB2 ASP 55 1HB ASP 55 7.081 -6.369 2.874 445 HB3 ASP 55 2HB ASP 55 6.933 -7.312 4.344 446 H LEU 56 H LEU 56 4.019 -5.834 2.980 447 HA LEU 56 HA LEU 56 3.423 -6.242 5.883 448 HB2 LEU 56 1HB LEU 56 3.690 -3.667 4.331 449 HB3 LEU 56 2HB LEU 56 3.521 -3.825 6.080 450 HG LEU 56 HG LEU 56 5.918 -4.648 4.386 451 HD11 LEU 56 1HD1 LEU 56 5.730 -2.232 4.779 452 HD12 LEU 56 2HD1 LEU 56 7.119 -2.905 5.613 453 HD13 LEU 56 3HD1 LEU 56 5.633 -2.505 6.530 454 HD21 LEU 56 3HD2 LEU 56 7.118 -5.241 6.394 455 HD22 LEU 56 1HD2 LEU 56 5.696 -6.257 6.240 456 HD23 LEU 56 2HD2 LEU 56 5.680 -4.915 7.393 457 H VAL 57 H VAL 57 1.855 -6.689 3.080 458 HA VAL 57 HA VAL 57 -0.691 -5.619 4.116 459 HB VAL 57 HB VAL 57 -1.477 -5.411 1.795 460 HG11 VAL 57 1HG1 VAL 57 0.950 -3.666 2.364 461 HG12 VAL 57 2HG1 VAL 57 -0.476 -3.269 1.374 462 HG13 VAL 57 3HG1 VAL 57 -0.637 -3.474 3.122 463 HG21 VAL 57 3HG2 VAL 57 0.107 -5.291 -0.053 464 HG22 VAL 57 1HG2 VAL 57 1.450 -5.662 1.052 465 HG23 VAL 57 2HG2 VAL 57 0.226 -6.898 0.696 466 H GLU 58 H GLU 58 -2.580 -6.829 3.306 467 HA GLU 58 HA GLU 58 -2.065 -9.716 2.845 468 HB2 GLU 58 1HB GLU 58 -4.036 -10.257 4.136 469 HB3 GLU 58 2HB GLU 58 -2.916 -9.363 5.165 470 HG2 GLU 58 1HG GLU 58 -4.271 -7.313 4.901 471 HG3 GLU 58 2HG GLU 58 -5.322 -8.130 3.746 472 H GLU 59 H GLU 59 -3.522 -10.745 1.518 473 HA GLU 59 HA GLU 59 -4.657 -9.099 -0.561 474 HB2 GLU 59 1HB GLU 59 -4.338 -12.103 -0.056 475 HB3 GLU 59 2HB GLU 59 -5.410 -11.528 -1.319 476 HG2 GLU 59 1HG GLU 59 -3.439 -10.161 -2.225 477 HG3 GLU 59 2HG GLU 59 -2.434 -11.148 -1.153 478 H VAL 60 H VAL 60 -6.057 -8.050 1.097 479 HA VAL 60 HA VAL 60 -8.411 -9.489 1.958 480 HB VAL 60 HB VAL 60 -7.356 -7.366 2.948 481 HG11 VAL 60 1HG1 VAL 60 -9.130 -5.955 0.914 482 HG12 VAL 60 2HG1 VAL 60 -8.248 -5.209 2.252 483 HG13 VAL 60 3HG1 VAL 60 -7.357 -5.966 0.904 484 HG21 VAL 60 3HG2 VAL 60 -10.353 -7.271 2.632 485 HG22 VAL 60 1HG2 VAL 60 -9.490 -8.412 3.670 486 HG23 VAL 60 2HG2 VAL 60 -9.340 -6.676 3.966 487 H GLY 61 H GLY 61 -10.609 -8.987 1.170 488 HA2 GLY 61 1HA GLY 61 -10.796 -8.029 -1.669 489 HA3 GLY 61 2HA GLY 61 -11.654 -9.449 -1.084 490 H ARG 62 H ARG 62 -11.382 -6.944 1.188 491 HA ARG 62 HA ARG 62 -14.268 -6.490 1.217 492 HB2 ARG 62 1HB ARG 62 -13.951 -5.360 3.254 493 HB3 ARG 62 2HB ARG 62 -12.823 -6.700 3.286 494 HG2 ARG 62 1HG ARG 62 -11.205 -5.276 3.840 495 HG3 ARG 62 2HG ARG 62 -11.283 -4.627 2.211 496 HD2 ARG 62 1HD ARG 62 -11.487 -2.788 3.676 497 HD3 ARG 62 2HD ARG 62 -13.142 -3.067 3.093 498 HE ARG 62 HE ARG 62 -12.663 -4.491 5.501 499 HH11 ARG 62 1HH1 ARG 62 -13.165 -1.114 4.347 500 HH12 ARG 62 2HH1 ARG 62 -13.606 -0.548 5.940 501 HH21 ARG 62 1HH2 ARG 62 -13.208 -3.585 7.628 502 HH22 ARG 62 2HH2 ARG 62 -13.664 -1.921 7.721 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -12.048 -2.036 -11.893 2 HA2 GLY 1 1HA GLY 1 -9.355 -3.061 -11.210 3 HA3 GLY 1 2HA GLY 1 -9.993 -1.534 -10.563 4 H ARG 2 H ARG 2 -9.525 -4.705 -9.747 5 HA ARG 2 HA ARG 2 -11.709 -4.598 -7.754 6 HB2 ARG 2 1HB ARG 2 -12.516 -6.774 -8.138 7 HB3 ARG 2 2HB ARG 2 -12.531 -5.898 -9.664 8 HG2 ARG 2 1HG ARG 2 -10.424 -7.122 -10.333 9 HG3 ARG 2 2HG ARG 2 -10.566 -8.071 -8.832 10 HD2 ARG 2 1HD ARG 2 -12.899 -8.724 -9.541 11 HD3 ARG 2 2HD ARG 2 -12.626 -7.867 -11.071 12 HE ARG 2 HE ARG 2 -10.648 -9.932 -10.400 13 HH11 ARG 2 1HH1 ARG 2 -13.845 -9.452 -11.757 14 HH12 ARG 2 2HH1 ARG 2 -13.863 -10.929 -12.653 15 HH21 ARG 2 1HH2 ARG 2 -10.585 -11.863 -11.644 16 HH22 ARG 2 2HH2 ARG 2 -11.874 -12.277 -12.677 17 H ARG 3 H ARG 3 -8.396 -4.919 -8.174 18 HA ARG 3 HA ARG 3 -8.111 -6.904 -6.003 19 HB2 ARG 3 1HB ARG 3 -6.813 -6.817 -8.362 20 HB3 ARG 3 2HB ARG 3 -5.803 -5.682 -7.509 21 HG2 ARG 3 1HG ARG 3 -6.370 -8.601 -6.854 22 HG3 ARG 3 2HG ARG 3 -4.890 -7.888 -7.459 23 HD2 ARG 3 1HD ARG 3 -4.128 -7.961 -5.358 24 HD3 ARG 3 2HD ARG 3 -5.125 -6.559 -5.054 25 HE ARG 3 HE ARG 3 -6.271 -7.796 -3.572 26 HH11 ARG 3 1HH1 ARG 3 -4.580 -10.083 -5.723 27 HH12 ARG 3 2HH1 ARG 3 -5.033 -11.458 -4.810 28 HH21 ARG 3 1HH2 ARG 3 -7.155 -9.672 -2.562 29 HH22 ARG 3 2HH2 ARG 3 -6.581 -11.257 -3.072 30 H ARG 4 H ARG 4 -7.701 -6.094 -4.043 31 HA ARG 4 HA ARG 4 -6.376 -3.482 -3.702 32 HB2 ARG 4 1HB ARG 4 -8.805 -4.373 -2.093 33 HB3 ARG 4 2HB ARG 4 -7.883 -2.910 -1.833 34 HG2 ARG 4 1HG ARG 4 -8.602 -2.231 -4.260 35 HG3 ARG 4 2HG ARG 4 -9.776 -3.557 -4.115 36 HD2 ARG 4 1HD ARG 4 -10.167 -2.298 -1.741 37 HD3 ARG 4 2HD ARG 4 -9.677 -0.911 -2.715 38 HE ARG 4 HE ARG 4 -11.540 -1.730 -4.329 39 HH11 ARG 4 1HH1 ARG 4 -11.542 -1.373 -0.879 40 HH12 ARG 4 2HH1 ARG 4 -13.198 -1.695 -0.583 41 HH21 ARG 4 1HH2 ARG 4 -13.916 -1.971 -4.119 42 HH22 ARG 4 2HH2 ARG 4 -14.622 -1.979 -2.546 43 H VAL 5 H VAL 5 -5.448 -3.404 -1.402 44 HA VAL 5 HA VAL 5 -5.131 -6.063 -0.143 45 HB VAL 5 HB VAL 5 -2.724 -5.521 0.271 46 HG11 VAL 5 1HG1 VAL 5 -3.484 -6.130 -2.616 47 HG12 VAL 5 2HG1 VAL 5 -1.967 -6.542 -1.799 48 HG13 VAL 5 3HG1 VAL 5 -3.470 -7.300 -1.269 49 HG21 VAL 5 3HG2 VAL 5 -1.504 -4.136 -1.297 50 HG22 VAL 5 1HG2 VAL 5 -2.984 -3.677 -2.144 51 HG23 VAL 5 2HG2 VAL 5 -2.707 -3.142 -0.474 52 H ARG 6 H ARG 6 -4.542 -5.883 2.119 53 HA ARG 6 HA ARG 6 -5.186 -3.200 3.341 54 HB2 ARG 6 1HB ARG 6 -7.102 -4.656 3.695 55 HB3 ARG 6 2HB ARG 6 -6.086 -5.971 4.233 56 HG2 ARG 6 1HG ARG 6 -5.607 -4.997 6.293 57 HG3 ARG 6 2HG ARG 6 -6.087 -3.377 5.789 58 HD2 ARG 6 1HD ARG 6 -8.179 -5.552 5.731 59 HD3 ARG 6 2HD ARG 6 -7.657 -4.963 7.296 60 HE ARG 6 HE ARG 6 -9.202 -3.511 5.274 61 HH11 ARG 6 1HH1 ARG 6 -7.547 -3.292 8.427 62 HH12 ARG 6 2HH1 ARG 6 -8.037 -1.641 8.691 63 HH21 ARG 6 1HH2 ARG 6 -9.963 -1.340 5.799 64 HH22 ARG 6 2HH2 ARG 6 -9.338 -0.528 7.183 65 H ALA 7 H ALA 7 -3.671 -2.530 4.944 66 HA ALA 7 HA ALA 7 -1.339 -4.352 5.180 67 HB1 ALA 7 1HB ALA 7 -1.521 -1.420 5.333 68 HB2 ALA 7 2HB ALA 7 -0.476 -2.218 6.530 69 HB3 ALA 7 3HB ALA 7 -0.214 -2.482 4.808 70 H ILE 8 H ILE 8 -0.485 -4.884 7.115 71 HA ILE 8 HA ILE 8 -2.330 -4.792 9.446 72 HB ILE 8 HB ILE 8 -2.018 -7.095 9.916 73 HG12 ILE 8 1HG1 ILE 8 0.277 -7.310 8.717 74 HG13 ILE 8 2HG1 ILE 8 -0.813 -8.683 8.834 75 HG21 ILE 8 1HG2 ILE 8 -3.930 -6.414 8.530 76 HG22 ILE 8 2HG2 ILE 8 -3.007 -6.739 7.057 77 HG23 ILE 8 3HG2 ILE 8 -3.404 -8.072 8.151 78 HD11 ILE 8 3HD1 ILE 8 0.299 -8.403 6.597 79 HD12 ILE 8 1HD1 ILE 8 -1.461 -8.519 6.538 80 HD13 ILE 8 2HD1 ILE 8 -0.677 -6.946 6.358 81 H LEU 9 H LEU 9 0.432 -3.558 8.551 82 HA LEU 9 HA LEU 9 1.529 -3.445 11.254 83 HB2 LEU 9 1HB LEU 9 2.957 -4.666 8.886 84 HB3 LEU 9 2HB LEU 9 3.889 -3.673 9.979 85 HG LEU 9 HG LEU 9 2.260 -5.628 11.466 86 HD11 LEU 9 1HD1 LEU 9 2.613 -6.976 9.404 87 HD12 LEU 9 2HD1 LEU 9 3.452 -7.643 10.820 88 HD13 LEU 9 3HD1 LEU 9 4.364 -6.767 9.587 89 HD21 LEU 9 3HD2 LEU 9 5.249 -5.173 11.341 90 HD22 LEU 9 1HD2 LEU 9 4.376 -6.147 12.544 91 HD23 LEU 9 2HD2 LEU 9 4.097 -4.400 12.478 92 HA PRO 10 HA PRO 10 2.154 0.651 9.558 93 HB2 PRO 10 1HB PRO 10 3.780 1.795 11.396 94 HB3 PRO 10 2HB PRO 10 2.167 1.182 11.860 95 HG2 PRO 10 1HG PRO 10 4.851 -0.197 12.206 96 HG3 PRO 10 2HG PRO 10 3.510 -0.046 13.395 97 HD2 PRO 10 1HD PRO 10 3.901 -2.249 11.806 98 HD3 PRO 10 2HD PRO 10 2.316 -1.750 12.473 99 H TYR 11 H TYR 11 3.767 2.144 8.572 100 HA TYR 11 HA TYR 11 6.503 1.260 8.237 101 HB2 TYR 11 1HB TYR 11 5.059 -0.057 6.572 102 HB3 TYR 11 2HB TYR 11 4.676 1.476 5.812 103 HD1 TYR 11 2HD TYR 11 7.364 -0.948 6.608 104 HD2 TYR 11 1HD TYR 11 6.313 2.564 4.336 105 HE1 TYR 11 2HE TYR 11 9.366 -1.279 5.187 106 HE2 TYR 11 1HE TYR 11 8.302 2.259 2.931 107 HH TYR 11 HH TYR 11 10.386 1.060 2.764 108 H THR 12 H THR 12 7.797 3.100 7.914 109 HA THR 12 HA THR 12 6.401 5.646 7.288 110 HB THR 12 HB THR 12 7.745 5.395 9.417 111 HG1 THR 12 1HG THR 12 7.155 7.344 8.935 112 HG21 THR 12 3HG2 THR 12 9.760 4.340 8.416 113 HG22 THR 12 1HG2 THR 12 10.134 5.854 9.273 114 HG23 THR 12 2HG2 THR 12 10.050 5.834 7.497 115 H LYS 13 H LYS 13 6.906 6.736 5.427 116 HA LYS 13 HA LYS 13 8.326 5.147 3.393 117 HB2 LYS 13 1HB LYS 13 7.151 6.433 1.839 118 HB3 LYS 13 2HB LYS 13 6.091 6.108 3.147 119 HG2 LYS 13 1HG LYS 13 5.533 8.309 2.843 120 HG3 LYS 13 2HG LYS 13 6.894 8.586 3.919 121 HD2 LYS 13 1HD LYS 13 8.026 8.379 1.327 122 HD3 LYS 13 2HD LYS 13 6.531 9.235 1.053 123 HE2 LYS 13 1HE LYS 13 8.412 10.063 3.275 124 HE3 LYS 13 2HE LYS 13 8.709 10.521 1.585 125 HZ1 LYS 13 3HZ LYS 13 7.449 12.200 2.838 126 HZ2 LYS 13 1HZ LYS 13 6.193 11.161 2.996 127 HZ3 LYS 13 2HZ LYS 13 6.697 11.675 1.494 128 H VAL 14 H VAL 14 10.299 5.792 2.340 129 HA VAL 14 HA VAL 14 11.917 7.713 3.796 130 HB VAL 14 HB VAL 14 12.472 6.624 1.004 131 HG11 VAL 14 1HG1 VAL 14 14.313 7.541 3.254 132 HG12 VAL 14 2HG1 VAL 14 14.812 6.954 1.662 133 HG13 VAL 14 3HG1 VAL 14 13.942 8.457 1.784 134 HG21 VAL 14 3HG2 VAL 14 12.128 4.654 2.377 135 HG22 VAL 14 1HG2 VAL 14 13.854 4.872 2.179 136 HG23 VAL 14 2HG2 VAL 14 13.079 5.342 3.708 137 HA PRO 15 HA PRO 15 10.443 11.321 1.458 138 HB2 PRO 15 1HB PRO 15 12.348 13.130 2.247 139 HB3 PRO 15 2HB PRO 15 10.989 12.631 3.296 140 HG2 PRO 15 1HG PRO 15 13.847 11.636 3.325 141 HG3 PRO 15 2HG PRO 15 12.788 12.022 4.720 142 HD2 PRO 15 1HD PRO 15 13.195 9.488 3.869 143 HD3 PRO 15 2HD PRO 15 11.663 10.034 4.615 144 H ASP 16 H ASP 16 11.267 12.555 -0.340 145 HA ASP 16 HA ASP 16 12.407 13.032 -2.136 146 HB2 ASP 16 1HB ASP 16 14.636 13.171 -2.149 147 HB3 ASP 16 2HB ASP 16 14.544 12.644 -0.507 148 H THR 17 H THR 17 11.590 9.862 -1.272 149 HA THR 17 HA THR 17 11.555 9.089 -4.143 150 HB THR 17 HB THR 17 11.593 6.755 -3.395 151 HG1 THR 17 1HG THR 17 12.194 6.360 -1.214 152 HG21 THR 17 3HG2 THR 17 13.717 7.918 -3.925 153 HG22 THR 17 1HG2 THR 17 13.945 6.648 -2.711 154 HG23 THR 17 2HG2 THR 17 13.915 8.340 -2.202 155 H ASP 18 H ASP 18 9.825 7.482 -4.593 156 HA ASP 18 HA ASP 18 7.321 8.888 -4.071 157 HB2 ASP 18 1HB ASP 18 7.973 6.681 -6.005 158 HB3 ASP 18 2HB ASP 18 6.533 7.712 -6.040 159 H GLU 19 H GLU 19 8.486 6.907 -2.029 160 HA GLU 19 HA GLU 19 6.558 4.719 -1.827 161 HB2 GLU 19 1HB GLU 19 8.429 6.085 0.145 162 HB3 GLU 19 2HB GLU 19 7.417 4.670 0.534 163 HG2 GLU 19 1HG GLU 19 8.672 3.328 -1.085 164 HG3 GLU 19 2HG GLU 19 9.673 4.728 -1.488 165 H ILE 20 H ILE 20 4.889 4.649 -0.042 166 HA ILE 20 HA ILE 20 4.146 7.302 1.032 167 HB ILE 20 HB ILE 20 1.736 6.584 0.931 168 HG12 ILE 20 1HG1 ILE 20 2.508 4.785 -1.392 169 HG13 ILE 20 2HG1 ILE 20 2.408 4.139 0.241 170 HG21 ILE 20 1HG2 ILE 20 2.653 8.359 -0.532 171 HG22 ILE 20 2HG2 ILE 20 3.125 7.153 -1.716 172 HG23 ILE 20 3HG2 ILE 20 1.406 7.436 -1.355 173 HD11 ILE 20 3HD1 ILE 20 0.291 3.772 -0.804 174 HD12 ILE 20 1HD1 ILE 20 0.084 5.014 0.435 175 HD13 ILE 20 2HD1 ILE 20 0.143 5.477 -1.287 176 H SER 21 H SER 21 3.535 7.386 3.166 177 HA SER 21 HA SER 21 4.448 5.154 4.770 178 HB2 SER 21 1HB SER 21 2.868 7.649 5.505 179 HB3 SER 21 2HB SER 21 3.663 6.573 6.657 180 HG SER 21 HG SER 21 4.676 8.597 5.949 181 H PHE 22 H PHE 22 3.121 3.929 6.289 182 HA PHE 22 HA PHE 22 0.285 4.521 6.302 183 HB2 PHE 22 1HB PHE 22 -0.415 2.125 5.964 184 HB3 PHE 22 2HB PHE 22 0.142 2.969 4.538 185 HD1 PHE 22 2HD PHE 22 2.244 2.369 3.414 186 HD2 PHE 22 1HD PHE 22 0.803 0.206 6.861 187 HE1 PHE 22 2HE PHE 22 3.676 0.446 2.814 188 HE2 PHE 22 1HE PHE 22 2.281 -1.710 6.259 189 HZ PHE 22 HZ PHE 22 3.705 -1.587 4.211 190 H LEU 23 H LEU 23 -0.837 3.336 7.978 191 HA LEU 23 HA LEU 23 0.905 2.418 10.230 192 HB2 LEU 23 1HB LEU 23 -1.848 3.732 10.189 193 HB3 LEU 23 2HB LEU 23 -1.155 2.950 11.601 194 HG LEU 23 HG LEU 23 -0.963 5.291 11.805 195 HD11 LEU 23 1HD1 LEU 23 1.350 5.468 12.436 196 HD12 LEU 23 2HD1 LEU 23 1.832 4.218 11.281 197 HD13 LEU 23 3HD1 LEU 23 0.851 3.793 12.700 198 HD21 LEU 23 3HD2 LEU 23 -0.858 5.938 9.379 199 HD22 LEU 23 1HD2 LEU 23 0.868 5.518 9.407 200 HD23 LEU 23 2HD2 LEU 23 0.259 6.797 10.454 201 H LYS 24 H LYS 24 -0.263 0.630 11.504 202 HA LYS 24 HA LYS 24 -1.411 -1.434 9.818 203 HB2 LYS 24 1HB LYS 24 -0.119 -1.938 11.835 204 HB3 LYS 24 2HB LYS 24 -1.227 -1.007 12.830 205 HG2 LYS 24 1HG LYS 24 -3.005 -2.633 12.542 206 HG3 LYS 24 2HG LYS 24 -2.083 -3.481 11.297 207 HD2 LYS 24 1HD LYS 24 -0.283 -3.894 13.060 208 HD3 LYS 24 2HD LYS 24 -1.406 -3.293 14.274 209 HE2 LYS 24 1HE LYS 24 -2.230 -5.533 12.385 210 HE3 LYS 24 2HE LYS 24 -1.139 -5.876 13.726 211 HZ1 LYS 24 3HZ LYS 24 -3.830 -4.716 14.080 212 HZ2 LYS 24 1HZ LYS 24 -2.756 -5.110 15.263 213 HZ3 LYS 24 2HZ LYS 24 -3.401 -6.280 14.328 214 H GLY 25 H GLY 25 -3.488 -1.420 9.090 215 HA2 GLY 25 1HA GLY 25 -5.820 -1.612 9.660 216 HA3 GLY 25 2HA GLY 25 -5.654 -0.272 10.795 217 H ASP 26 H ASP 26 -4.563 -0.590 7.334 218 HA ASP 26 HA ASP 26 -6.569 1.369 6.451 219 HB2 ASP 26 1HB ASP 26 -3.776 2.011 6.937 220 HB3 ASP 26 2HB ASP 26 -4.044 2.023 5.210 221 H MET 27 H MET 27 -6.352 1.512 3.915 222 HA MET 27 HA MET 27 -5.657 -1.134 2.788 223 HB2 MET 27 1HB MET 27 -8.416 -0.039 3.230 224 HB3 MET 27 2HB MET 27 -8.090 -0.659 1.614 225 HG2 MET 27 1HG MET 27 -7.329 -2.770 2.467 226 HG3 MET 27 2HG MET 27 -7.527 -2.209 4.126 227 HE1 MET 27 3HE MET 27 -9.318 -3.083 0.742 228 HE2 MET 27 1HE MET 27 -11.031 -3.165 1.209 229 HE3 MET 27 2HE MET 27 -10.207 -1.595 1.139 230 H PHE 28 H PHE 28 -5.443 -1.201 0.575 231 HA PHE 28 HA PHE 28 -5.182 1.414 -0.798 232 HB2 PHE 28 1HB PHE 28 -3.122 -0.747 -1.174 233 HB3 PHE 28 2HB PHE 28 -3.011 0.970 -1.458 234 HD1 PHE 28 2HD PHE 28 -3.005 -1.673 1.099 235 HD2 PHE 28 1HD PHE 28 -2.113 2.438 0.229 236 HE1 PHE 28 2HE PHE 28 -1.616 -1.564 3.121 237 HE2 PHE 28 1HE PHE 28 -0.780 2.596 2.334 238 HZ PHE 28 HZ PHE 28 -0.524 0.567 3.776 239 H ILE 29 H ILE 29 -4.985 1.143 -3.141 240 HA ILE 29 HA ILE 29 -6.385 -1.314 -4.118 241 HB ILE 29 HB ILE 29 -7.406 -0.033 -5.789 242 HG12 ILE 29 1HG1 ILE 29 -5.783 2.403 -4.926 243 HG13 ILE 29 2HG1 ILE 29 -5.506 1.475 -6.408 244 HG21 ILE 29 1HG2 ILE 29 -8.866 1.259 -4.448 245 HG22 ILE 29 2HG2 ILE 29 -8.097 0.173 -3.280 246 HG23 ILE 29 3HG2 ILE 29 -7.547 1.843 -3.401 247 HD11 ILE 29 3HD1 ILE 29 -7.574 2.089 -7.355 248 HD12 ILE 29 1HD1 ILE 29 -8.137 2.840 -5.849 249 HD13 ILE 29 2HD1 ILE 29 -6.792 3.569 -6.732 250 H VAL 30 H VAL 30 -5.412 -2.492 -5.851 251 HA VAL 30 HA VAL 30 -2.605 -1.884 -6.284 252 HB VAL 30 HB VAL 30 -4.239 -3.765 -8.017 253 HG11 VAL 30 1HG1 VAL 30 -2.095 -4.885 -8.271 254 HG12 VAL 30 2HG1 VAL 30 -1.778 -3.157 -8.503 255 HG13 VAL 30 3HG1 VAL 30 -1.361 -3.925 -6.974 256 HG21 VAL 30 3HG2 VAL 30 -3.118 -4.313 -5.242 257 HG22 VAL 30 1HG2 VAL 30 -4.782 -4.475 -5.754 258 HG23 VAL 30 2HG2 VAL 30 -3.554 -5.569 -6.416 259 H HIS 31 H HIS 31 -1.828 -0.488 -7.792 260 HA HIS 31 HA HIS 31 -3.614 0.309 -10.049 261 HB2 HIS 31 1HB HIS 31 -2.237 1.979 -8.063 262 HB3 HIS 31 2HB HIS 31 -1.719 2.346 -9.704 263 HD1 HIS 31 1HD HIS 31 -3.869 2.789 -11.497 264 HD2 HIS 31 2HD HIS 31 -4.306 3.302 -7.353 265 HE1 HIS 31 1HE HIS 31 -6.033 4.138 -11.168 266 H ASN 32 H ASN 32 -0.291 -0.631 -8.996 267 HA ASN 32 HA ASN 32 -0.038 -1.644 -11.665 268 HB2 ASN 32 1HB ASN 32 0.898 0.726 -11.847 269 HB3 ASN 32 2HB ASN 32 2.196 0.196 -10.753 270 HD21 ASN 32 1HD2 ASN 32 3.815 0.486 -12.317 271 HD22 ASN 32 2HD2 ASN 32 3.978 -0.704 -13.593 272 H GLU 33 H GLU 33 1.922 -2.864 -11.892 273 HA GLU 33 HA GLU 33 2.670 -4.319 -9.386 274 HB2 GLU 33 1HB GLU 33 2.203 -5.324 -12.224 275 HB3 GLU 33 2HB GLU 33 2.999 -6.282 -10.967 276 HG2 GLU 33 1HG GLU 33 1.014 -6.219 -9.557 277 HG3 GLU 33 2HG GLU 33 0.213 -5.098 -10.642 278 H LEU 34 H LEU 34 4.793 -4.340 -8.945 279 HA LEU 34 HA LEU 34 6.811 -3.799 -11.057 280 HB2 LEU 34 1HB LEU 34 6.906 -2.776 -8.198 281 HB3 LEU 34 2HB LEU 34 8.178 -2.596 -9.392 282 HG LEU 34 HG LEU 34 5.414 -1.470 -9.976 283 HD11 LEU 34 1HD1 LEU 34 6.134 0.644 -9.032 284 HD12 LEU 34 2HD1 LEU 34 7.591 -0.115 -8.362 285 HD13 LEU 34 3HD1 LEU 34 5.980 -0.627 -7.797 286 HD21 LEU 34 3HD2 LEU 34 8.178 -0.469 -10.734 287 HD22 LEU 34 1HD2 LEU 34 6.610 0.070 -11.365 288 HD23 LEU 34 2HD2 LEU 34 7.200 -1.560 -11.750 289 H GLU 35 H GLU 35 9.093 -4.482 -9.478 290 HA GLU 35 HA GLU 35 8.498 -7.380 -9.123 291 HB2 GLU 35 1HB GLU 35 10.513 -5.913 -10.899 292 HB3 GLU 35 2HB GLU 35 10.519 -7.657 -10.662 293 HG2 GLU 35 1HG GLU 35 8.291 -7.860 -11.670 294 HG3 GLU 35 2HG GLU 35 8.147 -6.104 -11.786 295 H ASP 36 H ASP 36 9.393 -5.216 -7.297 296 HA ASP 36 HA ASP 36 11.952 -6.379 -6.319 297 HB2 ASP 36 1HB ASP 36 12.031 -4.150 -7.417 298 HB3 ASP 36 2HB ASP 36 11.131 -3.479 -6.062 299 H GLY 37 H GLY 37 9.018 -6.949 -5.476 300 HA2 GLY 37 1HA GLY 37 8.053 -7.502 -3.452 301 HA3 GLY 37 2HA GLY 37 9.328 -6.672 -2.567 302 H TRP 38 H TRP 38 7.886 -4.916 -5.189 303 HA TRP 38 HA TRP 38 6.505 -3.110 -3.266 304 HB2 TRP 38 1HB TRP 38 8.521 -2.537 -5.472 305 HB3 TRP 38 2HB TRP 38 7.427 -1.310 -4.864 306 HD1 TRP 38 HD TRP 38 10.715 -2.976 -3.974 307 HE1 TRP 38 1HE TRP 38 11.698 -1.856 -1.949 308 HE3 TRP 38 3HE TRP 38 6.630 -0.348 -2.534 309 HZ2 TRP 38 2HZ TRP 38 10.798 -0.009 0.145 310 HZ3 TRP 38 3HZ TRP 38 6.664 1.068 -0.507 311 HH2 TRP 38 HH TRP 38 8.773 1.286 0.828 312 H MET 39 H MET 39 4.683 -1.992 -4.109 313 HA MET 39 HA MET 39 3.867 -2.462 -6.926 314 HB2 MET 39 1HB MET 39 2.160 -2.946 -4.455 315 HB3 MET 39 2HB MET 39 1.527 -2.875 -6.099 316 HG2 MET 39 1HG MET 39 2.721 -4.840 -6.770 317 HG3 MET 39 2HG MET 39 3.641 -4.895 -5.265 318 HE1 MET 39 3HE MET 39 2.877 -5.404 -3.032 319 HE2 MET 39 1HE MET 39 1.409 -4.430 -2.898 320 HE3 MET 39 2HE MET 39 1.340 -6.173 -2.575 321 H TRP 40 H TRP 40 2.685 -0.714 -7.756 322 HA TRP 40 HA TRP 40 2.571 1.755 -6.154 323 HB2 TRP 40 1HB TRP 40 3.215 1.653 -8.616 324 HB3 TRP 40 2HB TRP 40 1.522 1.273 -8.955 325 HD1 TRP 40 HD TRP 40 -0.292 3.234 -8.315 326 HE1 TRP 40 1HE TRP 40 -0.098 5.747 -8.229 327 HE3 TRP 40 3HE TRP 40 4.744 3.515 -8.024 328 HZ2 TRP 40 2HZ TRP 40 2.081 7.726 -7.991 329 HZ3 TRP 40 3HZ TRP 40 5.899 5.733 -7.779 330 HH2 TRP 40 HH TRP 40 4.568 7.822 -7.748 331 H VAL 41 H VAL 41 0.778 2.590 -5.251 332 HA VAL 41 HA VAL 41 -1.880 1.444 -5.847 333 HB VAL 41 HB VAL 41 -2.309 1.123 -3.479 334 HG11 VAL 41 1HG1 VAL 41 -1.321 -0.802 -4.758 335 HG12 VAL 41 2HG1 VAL 41 0.258 -0.392 -4.072 336 HG13 VAL 41 3HG1 VAL 41 -1.086 -0.874 -3.017 337 HG21 VAL 41 3HG2 VAL 41 -0.877 2.820 -2.491 338 HG22 VAL 41 1HG2 VAL 41 -0.553 1.252 -1.752 339 HG23 VAL 41 2HG2 VAL 41 0.577 1.916 -2.951 340 H THR 42 H THR 42 -3.521 2.692 -4.461 341 HA THR 42 HA THR 42 -2.661 5.428 -3.815 342 HB THR 42 HB THR 42 -5.513 4.636 -4.517 343 HG1 THR 42 1HG THR 42 -5.008 6.015 -6.437 344 HG21 THR 42 3HG2 THR 42 -6.131 6.822 -4.243 345 HG22 THR 42 1HG2 THR 42 -4.539 7.481 -4.657 346 HG23 THR 42 2HG2 THR 42 -4.834 6.789 -3.076 347 H ASN 43 H ASN 43 -3.055 5.803 -1.529 348 HA ASN 43 HA ASN 43 -4.126 3.485 0.042 349 HB2 ASN 43 1HB ASN 43 -2.092 5.069 0.651 350 HB3 ASN 43 2HB ASN 43 -3.308 6.220 1.048 351 HD21 ASN 43 1HD2 ASN 43 -1.733 5.697 3.078 352 HD22 ASN 43 2HD2 ASN 43 -2.500 4.650 4.243 353 H LEU 44 H LEU 44 -6.133 4.173 1.516 354 HA LEU 44 HA LEU 44 -7.936 5.801 -0.242 355 HB2 LEU 44 1HB LEU 44 -8.601 4.187 2.235 356 HB3 LEU 44 2HB LEU 44 -9.739 5.146 1.287 357 HG LEU 44 HG LEU 44 -8.278 2.634 0.438 358 HD11 LEU 44 1HD1 LEU 44 -11.215 3.415 0.604 359 HD12 LEU 44 2HD1 LEU 44 -10.338 2.355 1.717 360 HD13 LEU 44 3HD1 LEU 44 -10.610 1.836 0.044 361 HD21 LEU 44 3HD2 LEU 44 -9.894 4.465 -1.381 362 HD22 LEU 44 1HD2 LEU 44 -9.331 2.817 -1.775 363 HD23 LEU 44 2HD2 LEU 44 -8.168 4.091 -1.530 364 H ARG 45 H ARG 45 -6.495 6.012 2.927 365 HA ARG 45 HA ARG 45 -8.129 7.706 4.214 366 HB2 ARG 45 1HB ARG 45 -6.080 8.437 5.518 367 HB3 ARG 45 2HB ARG 45 -6.382 6.711 5.354 368 HG2 ARG 45 1HG ARG 45 -4.599 6.314 3.985 369 HG3 ARG 45 2HG ARG 45 -4.480 7.959 3.397 370 HD2 ARG 45 1HD ARG 45 -2.600 7.357 4.876 371 HD3 ARG 45 2HD ARG 45 -3.524 8.713 5.522 372 HE ARG 45 HE ARG 45 -4.374 6.082 6.472 373 HH11 ARG 45 1HH1 ARG 45 -2.026 8.681 7.112 374 HH12 ARG 45 2HH1 ARG 45 -1.848 8.305 8.775 375 HH21 ARG 45 1HH2 ARG 45 -4.233 5.620 8.602 376 HH22 ARG 45 2HH2 ARG 45 -3.363 6.649 9.729 377 H THR 46 H THR 46 -5.936 8.835 1.842 378 HA THR 46 HA THR 46 -7.081 11.529 1.883 379 HB THR 46 HB THR 46 -5.509 11.683 3.644 380 HG1 THR 46 1HG THR 46 -4.441 13.409 3.077 381 HG21 THR 46 3HG2 THR 46 -3.008 11.528 3.167 382 HG22 THR 46 1HG2 THR 46 -3.460 10.609 1.719 383 HG23 THR 46 2HG2 THR 46 -3.886 10.018 3.339 384 H ASP 47 H ASP 47 -6.691 9.143 -0.029 385 HA ASP 47 HA ASP 47 -6.308 8.693 -2.195 386 HB2 ASP 47 1HB ASP 47 -7.952 10.535 -2.483 387 HB3 ASP 47 2HB ASP 47 -6.633 11.665 -2.717 388 H GLU 48 H GLU 48 -4.033 9.322 -0.429 389 HA GLU 48 HA GLU 48 -1.883 10.415 -2.024 390 HB2 GLU 48 1HB GLU 48 -0.350 9.699 -0.432 391 HB3 GLU 48 2HB GLU 48 -1.814 10.307 0.380 392 HG2 GLU 48 1HG GLU 48 -2.646 8.308 0.915 393 HG3 GLU 48 2HG GLU 48 -1.451 7.482 -0.139 394 H GLN 49 H GLN 49 -0.211 9.396 -3.163 395 HA GLN 49 HA GLN 49 -0.840 6.665 -4.127 396 HB2 GLN 49 1HB GLN 49 -0.180 9.178 -5.727 397 HB3 GLN 49 2HB GLN 49 -0.373 7.572 -6.437 398 HG2 GLN 49 1HG GLN 49 -2.701 7.530 -6.050 399 HG3 GLN 49 2HG GLN 49 -2.656 8.848 -4.888 400 HE21 GLN 49 1HE2 GLN 49 -4.407 8.773 -7.145 401 HE22 GLN 49 2HE2 GLN 49 -4.013 10.257 -7.995 402 H GLY 50 H GLY 50 0.961 5.496 -4.766 403 HA2 GLY 50 1HA GLY 50 3.491 6.044 -5.392 404 HA3 GLY 50 2HA GLY 50 3.498 6.455 -3.678 405 H LEU 51 H LEU 51 4.946 4.724 -3.389 406 HA LEU 51 HA LEU 51 4.055 2.005 -4.083 407 HB2 LEU 51 1HB LEU 51 6.748 3.223 -3.327 408 HB3 LEU 51 2HB LEU 51 6.526 1.524 -3.688 409 HG LEU 51 HG LEU 51 5.750 3.704 -5.669 410 HD11 LEU 51 1HD1 LEU 51 8.364 2.183 -5.437 411 HD12 LEU 51 2HD1 LEU 51 8.122 3.942 -5.366 412 HD13 LEU 51 3HD1 LEU 51 7.839 3.061 -6.887 413 HD21 LEU 51 3HD2 LEU 51 4.705 1.511 -6.028 414 HD22 LEU 51 1HD2 LEU 51 6.290 0.719 -5.926 415 HD23 LEU 51 2HD2 LEU 51 5.914 1.845 -7.252 416 H ILE 52 H ILE 52 4.035 0.227 -2.762 417 HA ILE 52 HA ILE 52 4.630 0.504 0.115 418 HB ILE 52 HB ILE 52 2.654 -0.899 0.623 419 HG12 ILE 52 1HG1 ILE 52 1.436 -0.070 -2.023 420 HG13 ILE 52 2HG1 ILE 52 2.365 -1.531 -1.896 421 HG21 ILE 52 1HG2 ILE 52 1.913 1.798 -0.603 422 HG22 ILE 52 2HG2 ILE 52 1.056 0.941 0.696 423 HG23 ILE 52 3HG2 ILE 52 2.681 1.596 0.978 424 HD11 ILE 52 3HD1 ILE 52 -0.200 -0.883 -0.411 425 HD12 ILE 52 1HD1 ILE 52 0.139 -2.233 -1.531 426 HD13 ILE 52 2HD1 ILE 52 0.857 -2.222 0.077 427 H VAL 53 H VAL 53 5.426 -1.397 1.074 428 HA VAL 53 HA VAL 53 6.489 -3.357 -0.792 429 HB VAL 53 HB VAL 53 7.829 -2.128 0.933 430 HG11 VAL 53 1HG1 VAL 53 6.238 -2.348 2.872 431 HG12 VAL 53 2HG1 VAL 53 6.637 -4.063 2.958 432 HG13 VAL 53 3HG1 VAL 53 7.898 -2.844 3.234 433 HG21 VAL 53 3HG2 VAL 53 8.730 -4.090 -0.160 434 HG22 VAL 53 1HG2 VAL 53 9.256 -4.033 1.526 435 HG23 VAL 53 2HG2 VAL 53 7.972 -5.161 1.034 436 H GLU 54 H GLU 54 6.000 -5.583 -0.807 437 HA GLU 54 HA GLU 54 3.334 -6.219 0.082 438 HB2 GLU 54 1HB GLU 54 3.506 -8.182 -1.221 439 HB3 GLU 54 2HB GLU 54 4.147 -6.783 -2.080 440 HG2 GLU 54 1HG GLU 54 6.482 -7.593 -1.438 441 HG3 GLU 54 2HG GLU 54 5.733 -9.057 -0.804 442 H ASP 55 H ASP 55 6.096 -6.283 1.770 443 HA ASP 55 HA ASP 55 6.062 -8.716 3.208 444 HB2 ASP 55 1HB ASP 55 7.515 -6.206 3.174 445 HB3 ASP 55 2HB ASP 55 7.058 -6.525 4.833 446 H LEU 56 H LEU 56 4.017 -5.930 3.467 447 HA LEU 56 HA LEU 56 3.280 -6.526 6.312 448 HB2 LEU 56 1HB LEU 56 3.612 -3.830 4.970 449 HB3 LEU 56 2HB LEU 56 3.191 -4.098 6.653 450 HG LEU 56 HG LEU 56 5.838 -4.794 5.340 451 HD11 LEU 56 1HD1 LEU 56 6.744 -3.051 6.803 452 HD12 LEU 56 2HD1 LEU 56 5.096 -2.639 7.340 453 HD13 LEU 56 3HD1 LEU 56 5.566 -2.418 5.640 454 HD21 LEU 56 3HD2 LEU 56 5.186 -4.946 8.311 455 HD22 LEU 56 1HD2 LEU 56 6.705 -5.382 7.521 456 HD23 LEU 56 2HD2 LEU 56 5.277 -6.368 7.256 457 H VAL 57 H VAL 57 1.867 -7.056 3.555 458 HA VAL 57 HA VAL 57 -0.751 -5.930 4.278 459 HB VAL 57 HB VAL 57 -1.127 -6.003 1.715 460 HG11 VAL 57 1HG1 VAL 57 -1.129 -3.921 2.940 461 HG12 VAL 57 2HG1 VAL 57 0.650 -3.866 2.948 462 HG13 VAL 57 3HG1 VAL 57 -0.261 -3.717 1.428 463 HG21 VAL 57 3HG2 VAL 57 1.111 -7.128 1.245 464 HG22 VAL 57 1HG2 VAL 57 0.735 -5.697 0.280 465 HG23 VAL 57 2HG2 VAL 57 1.878 -5.573 1.635 466 H GLU 58 H GLU 58 -2.547 -7.107 3.121 467 HA GLU 58 HA GLU 58 -2.135 -9.995 2.837 468 HB2 GLU 58 1HB GLU 58 -4.295 -10.391 4.021 469 HB3 GLU 58 2HB GLU 58 -3.084 -9.741 5.125 470 HG2 GLU 58 1HG GLU 58 -4.090 -7.616 5.213 471 HG3 GLU 58 2HG GLU 58 -5.012 -7.847 3.742 472 H GLU 59 H GLU 59 -3.550 -10.979 1.517 473 HA GLU 59 HA GLU 59 -4.781 -9.460 -0.546 474 HB2 GLU 59 1HB GLU 59 -4.771 -12.420 0.203 475 HB3 GLU 59 2HB GLU 59 -5.970 -11.814 -0.920 476 HG2 GLU 59 1HG GLU 59 -3.744 -10.774 -2.079 477 HG3 GLU 59 2HG GLU 59 -3.071 -12.237 -1.354 478 H VAL 60 H VAL 60 -6.020 -8.029 0.864 479 HA VAL 60 HA VAL 60 -8.552 -9.039 1.880 480 HB VAL 60 HB VAL 60 -7.340 -6.838 2.436 481 HG11 VAL 60 1HG1 VAL 60 -9.022 -5.701 0.172 482 HG12 VAL 60 2HG1 VAL 60 -7.872 -4.857 1.232 483 HG13 VAL 60 3HG1 VAL 60 -7.298 -6.029 0.036 484 HG21 VAL 60 3HG2 VAL 60 -9.555 -7.546 3.313 485 HG22 VAL 60 1HG2 VAL 60 -9.329 -5.795 3.200 486 HG23 VAL 60 2HG2 VAL 60 -10.316 -6.627 1.992 487 H GLY 61 H GLY 61 -10.634 -8.537 0.819 488 HA2 GLY 61 1HA GLY 61 -10.691 -8.063 -2.097 489 HA3 GLY 61 2HA GLY 61 -11.320 -9.606 -1.481 490 H ARG 62 H ARG 62 -11.563 -6.740 0.467 491 HA ARG 62 HA ARG 62 -14.378 -7.246 0.886 492 HB2 ARG 62 1HB ARG 62 -12.417 -5.221 2.058 493 HB3 ARG 62 2HB ARG 62 -14.124 -5.308 2.519 494 HG2 ARG 62 1HG ARG 62 -13.887 -7.582 3.339 495 HG3 ARG 62 2HG ARG 62 -12.254 -7.716 2.685 496 HD2 ARG 62 1HD ARG 62 -11.621 -5.755 4.224 497 HD3 ARG 62 2HD ARG 62 -13.178 -6.017 5.008 498 HE ARG 62 HE ARG 62 -10.758 -7.690 5.132 499 HH11 ARG 62 1HH1 ARG 62 -14.213 -7.474 6.016 500 HH12 ARG 62 2HH1 ARG 62 -14.058 -8.596 7.301 501 HH21 ARG 62 1HH2 ARG 62 -10.700 -9.509 6.497 502 HH22 ARG 62 2HH2 ARG 62 -12.016 -9.760 7.602 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -6.149 -11.306 -10.813 2 HA2 GLY 1 1HA GLY 1 -6.850 -10.604 -8.618 3 HA3 GLY 1 2HA GLY 1 -5.497 -9.577 -9.132 4 H ARG 2 H ARG 2 -5.946 -7.367 -9.807 5 HA ARG 2 HA ARG 2 -7.126 -5.388 -9.817 6 HB2 ARG 2 1HB ARG 2 -8.941 -7.368 -11.230 7 HB3 ARG 2 2HB ARG 2 -9.291 -5.641 -11.190 8 HG2 ARG 2 1HG ARG 2 -7.538 -5.049 -12.500 9 HG3 ARG 2 2HG ARG 2 -6.490 -6.349 -11.953 10 HD2 ARG 2 1HD ARG 2 -8.866 -6.938 -13.732 11 HD3 ARG 2 2HD ARG 2 -7.350 -6.338 -14.398 12 HE ARG 2 HE ARG 2 -7.933 -9.001 -13.605 13 HH11 ARG 2 1HH1 ARG 2 -5.162 -6.706 -13.722 14 HH12 ARG 2 2HH1 ARG 2 -4.003 -7.964 -13.916 15 HH21 ARG 2 1HH2 ARG 2 -6.406 -10.574 -13.961 16 HH22 ARG 2 2HH2 ARG 2 -4.716 -10.201 -14.132 17 H ARG 3 H ARG 3 -7.097 -5.682 -7.349 18 HA ARG 3 HA ARG 3 -9.763 -5.455 -6.231 19 HB2 ARG 3 1HB ARG 3 -9.905 -7.351 -5.059 20 HB3 ARG 3 2HB ARG 3 -9.110 -7.936 -6.483 21 HG2 ARG 3 1HG ARG 3 -7.909 -7.535 -3.735 22 HG3 ARG 3 2HG ARG 3 -8.275 -9.027 -4.546 23 HD2 ARG 3 1HD ARG 3 -6.189 -9.116 -5.219 24 HD3 ARG 3 2HD ARG 3 -6.511 -7.785 -6.348 25 HE ARG 3 HE ARG 3 -5.985 -6.734 -3.771 26 HH11 ARG 3 1HH1 ARG 3 -4.270 -8.591 -6.332 27 HH12 ARG 3 2HH1 ARG 3 -2.730 -8.002 -5.967 28 HH21 ARG 3 1HH2 ARG 3 -3.860 -5.833 -3.380 29 HH22 ARG 3 2HH2 ARG 3 -2.561 -6.084 -4.471 30 H ARG 4 H ARG 4 -8.843 -5.551 -3.487 31 HA ARG 4 HA ARG 4 -6.719 -3.407 -3.535 32 HB2 ARG 4 1HB ARG 4 -8.996 -3.776 -1.596 33 HB3 ARG 4 2HB ARG 4 -7.880 -2.407 -1.650 34 HG2 ARG 4 1HG ARG 4 -8.650 -2.058 -4.068 35 HG3 ARG 4 2HG ARG 4 -10.043 -3.054 -3.657 36 HD2 ARG 4 1HD ARG 4 -9.241 -0.556 -2.108 37 HD3 ARG 4 2HD ARG 4 -10.204 -0.582 -3.562 38 HE ARG 4 HE ARG 4 -11.318 -2.390 -1.644 39 HH11 ARG 4 1HH1 ARG 4 -11.277 1.061 -2.674 40 HH12 ARG 4 2HH1 ARG 4 -12.760 1.442 -1.888 41 HH21 ARG 4 1HH2 ARG 4 -13.334 -1.853 -0.736 42 HH22 ARG 4 2HH2 ARG 4 -13.971 -0.244 -0.723 43 H VAL 5 H VAL 5 -5.571 -3.304 -1.301 44 HA VAL 5 HA VAL 5 -5.282 -6.016 -0.154 45 HB VAL 5 HB VAL 5 -2.806 -5.127 0.332 46 HG11 VAL 5 1HG1 VAL 5 -2.852 -7.243 -0.426 47 HG12 VAL 5 2HG1 VAL 5 -3.928 -6.909 -1.778 48 HG13 VAL 5 3HG1 VAL 5 -2.177 -6.485 -1.842 49 HG21 VAL 5 3HG2 VAL 5 -3.082 -3.072 -1.003 50 HG22 VAL 5 1HG2 VAL 5 -1.754 -4.107 -1.565 51 HG23 VAL 5 2HG2 VAL 5 -3.284 -4.055 -2.477 52 H ARG 6 H ARG 6 -4.436 -6.025 2.060 53 HA ARG 6 HA ARG 6 -5.515 -3.721 3.624 54 HB2 ARG 6 1HB ARG 6 -6.313 -6.512 3.408 55 HB3 ARG 6 2HB ARG 6 -5.654 -6.281 5.021 56 HG2 ARG 6 1HG ARG 6 -7.759 -4.471 3.790 57 HG3 ARG 6 2HG ARG 6 -8.148 -5.909 4.725 58 HD2 ARG 6 1HD ARG 6 -7.042 -5.084 6.672 59 HD3 ARG 6 2HD ARG 6 -6.386 -3.677 5.813 60 HE ARG 6 HE ARG 6 -8.968 -3.251 5.395 61 HH11 ARG 6 1HH1 ARG 6 -7.406 -4.355 8.433 62 HH12 ARG 6 2HH1 ARG 6 -8.246 -3.194 9.406 63 HH21 ARG 6 1HH2 ARG 6 -10.202 -1.808 6.786 64 HH22 ARG 6 2HH2 ARG 6 -9.960 -1.952 8.506 65 H ALA 7 H ALA 7 -4.001 -2.740 4.945 66 HA ALA 7 HA ALA 7 -1.349 -3.852 5.262 67 HB1 ALA 7 1HB ALA 7 -2.725 -1.536 6.703 68 HB2 ALA 7 2HB ALA 7 -0.983 -1.864 6.637 69 HB3 ALA 7 3HB ALA 7 -1.856 -1.381 5.172 70 H ILE 8 H ILE 8 -0.719 -5.267 6.797 71 HA ILE 8 HA ILE 8 -2.391 -5.525 9.256 72 HB ILE 8 HB ILE 8 -1.464 -7.726 9.546 73 HG12 ILE 8 1HG1 ILE 8 0.580 -7.057 7.838 74 HG13 ILE 8 2HG1 ILE 8 0.202 -8.659 8.411 75 HG21 ILE 8 1HG2 ILE 8 -2.841 -8.823 7.828 76 HG22 ILE 8 2HG2 ILE 8 -3.638 -7.413 8.514 77 HG23 ILE 8 3HG2 ILE 8 -2.928 -7.326 6.891 78 HD11 ILE 8 3HD1 ILE 8 0.567 -8.536 5.948 79 HD12 ILE 8 1HD1 ILE 8 -1.009 -9.203 6.380 80 HD13 ILE 8 2HD1 ILE 8 -0.881 -7.524 5.825 81 H LEU 9 H LEU 9 0.321 -3.898 8.254 82 HA LEU 9 HA LEU 9 1.229 -3.505 11.015 83 HB2 LEU 9 1HB LEU 9 2.833 -4.895 8.871 84 HB3 LEU 9 2HB LEU 9 3.682 -3.734 9.858 85 HG LEU 9 HG LEU 9 2.104 -5.587 11.532 86 HD11 LEU 9 1HD1 LEU 9 3.458 -7.580 11.153 87 HD12 LEU 9 2HD1 LEU 9 4.296 -6.797 9.798 88 HD13 LEU 9 3HD1 LEU 9 2.559 -7.162 9.693 89 HD21 LEU 9 3HD2 LEU 9 5.055 -4.891 11.432 90 HD22 LEU 9 1HD2 LEU 9 4.270 -5.880 12.680 91 HD23 LEU 9 2HD2 LEU 9 3.809 -4.184 12.501 92 HA PRO 10 HA PRO 10 1.897 0.481 9.108 93 HB2 PRO 10 1HB PRO 10 3.294 1.788 11.001 94 HB3 PRO 10 2HB PRO 10 1.705 1.087 11.416 95 HG2 PRO 10 1HG PRO 10 4.434 -0.124 11.953 96 HG3 PRO 10 2HG PRO 10 3.040 0.037 13.070 97 HD2 PRO 10 1HD PRO 10 3.581 -2.224 11.611 98 HD3 PRO 10 2HD PRO 10 1.945 -1.762 12.184 99 H TYR 11 H TYR 11 3.596 1.953 8.188 100 HA TYR 11 HA TYR 11 6.348 0.971 8.033 101 HB2 TYR 11 1HB TYR 11 4.925 -0.269 6.289 102 HB3 TYR 11 2HB TYR 11 4.730 1.305 5.521 103 HD1 TYR 11 2HD TYR 11 7.430 -0.981 6.842 104 HD2 TYR 11 1HD TYR 11 6.321 1.957 3.876 105 HE1 TYR 11 2HE TYR 11 9.579 -1.353 5.657 106 HE2 TYR 11 1HE TYR 11 8.494 1.682 2.787 107 HH TYR 11 HH TYR 11 10.340 -0.722 2.804 108 H THR 12 H THR 12 7.631 2.565 6.535 109 HA THR 12 HA THR 12 6.641 5.319 7.003 110 HB THR 12 HB THR 12 8.192 4.231 8.774 111 HG1 THR 12 1HG THR 12 8.912 6.065 9.284 112 HG21 THR 12 3HG2 THR 12 10.251 4.960 6.681 113 HG22 THR 12 1HG2 THR 12 9.844 3.303 7.180 114 HG23 THR 12 2HG2 THR 12 10.576 4.419 8.350 115 H LYS 13 H LYS 13 7.105 6.671 5.201 116 HA LYS 13 HA LYS 13 8.136 5.283 2.813 117 HB2 LYS 13 1HB LYS 13 7.918 7.389 1.628 118 HB3 LYS 13 2HB LYS 13 6.463 7.008 2.510 119 HG2 LYS 13 1HG LYS 13 7.095 8.558 4.347 120 HG3 LYS 13 2HG LYS 13 8.542 9.029 3.448 121 HD2 LYS 13 1HD LYS 13 5.807 9.238 2.147 122 HD3 LYS 13 2HD LYS 13 6.352 10.475 3.287 123 HE2 LYS 13 1HE LYS 13 8.212 11.058 2.043 124 HE3 LYS 13 2HE LYS 13 8.233 9.653 1.033 125 HZ1 LYS 13 3HZ LYS 13 6.220 11.839 0.950 126 HZ2 LYS 13 1HZ LYS 13 6.095 10.447 0.048 127 HZ3 LYS 13 2HZ LYS 13 7.331 11.496 -0.196 128 H VAL 14 H VAL 14 10.068 5.862 1.750 129 HA VAL 14 HA VAL 14 12.331 6.440 3.544 130 HB VAL 14 HB VAL 14 12.138 5.783 0.573 131 HG11 VAL 14 1HG1 VAL 14 14.625 5.713 2.315 132 HG12 VAL 14 2HG1 VAL 14 14.490 5.393 0.575 133 HG13 VAL 14 3HG1 VAL 14 14.236 7.026 1.179 134 HG21 VAL 14 3HG2 VAL 14 12.817 3.971 2.906 135 HG22 VAL 14 1HG2 VAL 14 11.397 3.857 1.843 136 HG23 VAL 14 2HG2 VAL 14 13.004 3.553 1.191 137 HA PRO 15 HA PRO 15 11.789 10.718 2.494 138 HB2 PRO 15 1HB PRO 15 14.304 11.728 3.127 139 HB3 PRO 15 2HB PRO 15 13.052 11.328 4.328 140 HG2 PRO 15 1HG PRO 15 15.459 9.722 3.525 141 HG3 PRO 15 2HG PRO 15 14.728 9.883 5.144 142 HD2 PRO 15 1HD PRO 15 14.337 7.716 3.510 143 HD3 PRO 15 2HD PRO 15 13.177 8.235 4.754 144 H ASP 16 H ASP 16 12.159 11.920 0.653 145 HA ASP 16 HA ASP 16 13.021 12.716 -1.272 146 HB2 ASP 16 1HB ASP 16 15.265 12.511 -0.249 147 HB3 ASP 16 2HB ASP 16 15.423 10.901 -0.962 148 H THR 17 H THR 17 11.732 9.767 -0.788 149 HA THR 17 HA THR 17 12.059 8.851 -3.601 150 HB THR 17 HB THR 17 11.456 6.677 -2.814 151 HG1 THR 17 1HG THR 17 11.166 7.873 -0.230 152 HG21 THR 17 3HG2 THR 17 13.497 7.815 -0.875 153 HG22 THR 17 1HG2 THR 17 13.830 7.451 -2.573 154 HG23 THR 17 2HG2 THR 17 13.356 6.147 -1.472 155 H ASP 18 H ASP 18 9.939 7.250 -4.008 156 HA ASP 18 HA ASP 18 7.832 9.222 -4.555 157 HB2 ASP 18 1HB ASP 18 8.026 6.318 -5.409 158 HB3 ASP 18 2HB ASP 18 7.035 7.570 -6.128 159 H GLU 19 H GLU 19 8.633 6.662 -2.417 160 HA GLU 19 HA GLU 19 6.241 5.414 -2.039 161 HB2 GLU 19 1HB GLU 19 8.055 5.485 0.311 162 HB3 GLU 19 2HB GLU 19 7.154 4.172 -0.384 163 HG2 GLU 19 1HG GLU 19 9.919 5.098 -0.913 164 HG3 GLU 19 2HG GLU 19 9.296 3.509 -0.720 165 H ILE 20 H ILE 20 4.968 5.110 -0.045 166 HA ILE 20 HA ILE 20 4.360 7.669 1.352 167 HB ILE 20 HB ILE 20 1.964 6.906 1.278 168 HG12 ILE 20 1HG1 ILE 20 2.832 5.199 -1.106 169 HG13 ILE 20 2HG1 ILE 20 2.411 4.542 0.481 170 HG21 ILE 20 1HG2 ILE 20 3.241 7.693 -1.372 171 HG22 ILE 20 2HG2 ILE 20 1.577 8.029 -0.843 172 HG23 ILE 20 3HG2 ILE 20 2.941 8.779 -0.013 173 HD11 ILE 20 3HD1 ILE 20 0.461 4.348 -0.878 174 HD12 ILE 20 1HD1 ILE 20 0.170 5.674 0.275 175 HD13 ILE 20 2HD1 ILE 20 0.566 6.038 -1.425 176 H SER 21 H SER 21 4.160 7.540 3.533 177 HA SER 21 HA SER 21 4.819 5.192 4.960 178 HB2 SER 21 1HB SER 21 3.155 7.292 6.281 179 HB3 SER 21 2HB SER 21 4.676 6.580 6.805 180 HG SER 21 HG SER 21 4.250 8.916 5.679 181 H PHE 22 H PHE 22 3.300 4.061 6.538 182 HA PHE 22 HA PHE 22 0.515 4.554 6.218 183 HB2 PHE 22 1HB PHE 22 -0.216 2.341 5.421 184 HB3 PHE 22 2HB PHE 22 0.644 3.239 4.208 185 HD1 PHE 22 2HD PHE 22 0.750 0.243 6.387 186 HD2 PHE 22 1HD PHE 22 2.758 2.492 3.295 187 HE1 PHE 22 2HE PHE 22 2.062 -1.760 5.758 188 HE2 PHE 22 1HE PHE 22 4.072 0.490 2.691 189 HZ PHE 22 HZ PHE 22 3.690 -1.663 3.872 190 H LEU 23 H LEU 23 -0.835 2.773 7.363 191 HA LEU 23 HA LEU 23 0.520 2.137 9.934 192 HB2 LEU 23 1HB LEU 23 -2.081 3.558 9.356 193 HB3 LEU 23 2HB LEU 23 -1.720 2.894 10.943 194 HG LEU 23 HG LEU 23 0.285 4.786 9.654 195 HD11 LEU 23 1HD1 LEU 23 -1.810 5.932 9.366 196 HD12 LEU 23 2HD1 LEU 23 -0.877 6.707 10.659 197 HD13 LEU 23 3HD1 LEU 23 -2.257 5.633 11.050 198 HD21 LEU 23 3HD2 LEU 23 -0.559 4.312 12.545 199 HD22 LEU 23 1HD2 LEU 23 0.739 5.394 11.985 200 HD23 LEU 23 2HD2 LEU 23 0.896 3.648 11.763 201 H LYS 24 H LYS 24 -0.722 0.500 11.216 202 HA LYS 24 HA LYS 24 -1.529 -1.757 9.600 203 HB2 LYS 24 1HB LYS 24 -0.530 -1.985 11.851 204 HB3 LYS 24 2HB LYS 24 -1.928 -1.186 12.587 205 HG2 LYS 24 1HG LYS 24 -3.381 -3.030 12.083 206 HG3 LYS 24 2HG LYS 24 -2.227 -3.719 10.939 207 HD2 LYS 24 1HD LYS 24 -0.628 -4.112 12.837 208 HD3 LYS 24 2HD LYS 24 -1.856 -3.581 13.972 209 HE2 LYS 24 1HE LYS 24 -2.315 -5.852 11.984 210 HE3 LYS 24 2HE LYS 24 -1.539 -6.113 13.542 211 HZ1 LYS 24 3HZ LYS 24 -3.516 -5.363 14.645 212 HZ2 LYS 24 1HZ LYS 24 -3.891 -6.580 13.604 213 HZ3 LYS 24 2HZ LYS 24 -4.279 -5.080 13.179 214 H GLY 25 H GLY 25 -3.613 -2.440 9.022 215 HA2 GLY 25 1HA GLY 25 -5.857 -2.561 9.026 216 HA3 GLY 25 2HA GLY 25 -5.988 -1.241 10.186 217 H ASP 26 H ASP 26 -4.005 0.027 7.832 218 HA ASP 26 HA ASP 26 -6.145 1.425 6.396 219 HB2 ASP 26 1HB ASP 26 -3.103 1.439 6.322 220 HB3 ASP 26 2HB ASP 26 -4.027 2.292 5.099 221 H MET 27 H MET 27 -5.967 1.485 3.939 222 HA MET 27 HA MET 27 -5.533 -1.208 2.828 223 HB2 MET 27 1HB MET 27 -8.146 0.299 3.036 224 HB3 MET 27 2HB MET 27 -7.783 -0.554 1.547 225 HG2 MET 27 1HG MET 27 -7.325 -2.615 2.792 226 HG3 MET 27 2HG MET 27 -7.700 -1.785 4.296 227 HE1 MET 27 3HE MET 27 -9.068 -3.468 0.996 228 HE2 MET 27 1HE MET 27 -10.767 -2.953 0.990 229 HE3 MET 27 2HE MET 27 -9.490 -1.759 0.733 230 H PHE 28 H PHE 28 -5.243 -1.262 0.659 231 HA PHE 28 HA PHE 28 -4.754 1.329 -0.689 232 HB2 PHE 28 1HB PHE 28 -2.824 -0.953 -1.061 233 HB3 PHE 28 2HB PHE 28 -2.626 0.746 -1.395 234 HD1 PHE 28 1HD PHE 28 -2.386 2.392 0.532 235 HD2 PHE 28 2HD PHE 28 -2.027 -1.877 0.969 236 HE1 PHE 28 1HE PHE 28 -1.320 2.723 2.746 237 HE2 PHE 28 2HE PHE 28 -0.894 -1.542 3.157 238 HZ PHE 28 HZ PHE 28 -0.638 0.692 4.078 239 H ILE 29 H ILE 29 -4.666 1.128 -3.017 240 HA ILE 29 HA ILE 29 -6.271 -1.195 -3.972 241 HB ILE 29 HB ILE 29 -7.372 0.221 -5.401 242 HG12 ILE 29 1HG1 ILE 29 -5.279 2.386 -4.942 243 HG13 ILE 29 2HG1 ILE 29 -5.545 1.485 -6.444 244 HG21 ILE 29 1HG2 ILE 29 -6.917 2.105 -3.067 245 HG22 ILE 29 2HG2 ILE 29 -8.410 1.731 -3.938 246 HG23 ILE 29 3HG2 ILE 29 -7.701 0.544 -2.848 247 HD11 ILE 29 3HD1 ILE 29 -7.828 2.443 -6.599 248 HD12 ILE 29 1HD1 ILE 29 -7.507 3.413 -5.152 249 HD13 ILE 29 2HD1 ILE 29 -6.562 3.682 -6.624 250 H VAL 30 H VAL 30 -5.361 -2.574 -5.523 251 HA VAL 30 HA VAL 30 -2.570 -2.145 -6.167 252 HB VAL 30 HB VAL 30 -3.222 -4.404 -5.874 253 HG11 VAL 30 1HG1 VAL 30 -5.316 -4.693 -5.913 254 HG12 VAL 30 2HG1 VAL 30 -5.582 -3.969 -7.541 255 HG13 VAL 30 3HG1 VAL 30 -4.828 -5.583 -7.371 256 HG21 VAL 30 3HG2 VAL 30 -2.975 -4.084 -8.879 257 HG22 VAL 30 1HG2 VAL 30 -1.607 -3.944 -7.747 258 HG23 VAL 30 2HG2 VAL 30 -2.491 -5.471 -7.886 259 H HIS 31 H HIS 31 -1.954 -0.516 -7.617 260 HA HIS 31 HA HIS 31 -3.804 0.087 -9.838 261 HB2 HIS 31 1HB HIS 31 -1.970 1.606 -8.039 262 HB3 HIS 31 2HB HIS 31 -1.852 2.024 -9.736 263 HD1 HIS 31 1HD HIS 31 -5.302 1.667 -10.030 264 HD2 HIS 31 2HD HIS 31 -2.783 4.063 -7.653 265 HE1 HIS 31 1HE HIS 31 -6.503 3.867 -9.754 266 H ASN 32 H ASN 32 -0.420 -0.810 -8.952 267 HA ASN 32 HA ASN 32 -0.136 -1.966 -11.591 268 HB2 ASN 32 1HB ASN 32 0.948 0.527 -11.449 269 HB3 ASN 32 2HB ASN 32 2.224 -0.347 -10.679 270 HD21 ASN 32 1HD2 ASN 32 3.669 -1.613 -12.202 271 HD22 ASN 32 2HD2 ASN 32 3.322 -1.526 -13.906 272 H GLU 33 H GLU 33 2.030 -3.050 -11.590 273 HA GLU 33 HA GLU 33 2.743 -4.249 -8.941 274 HB2 GLU 33 1HB GLU 33 1.931 -5.694 -11.497 275 HB3 GLU 33 2HB GLU 33 2.721 -6.486 -10.132 276 HG2 GLU 33 1HG GLU 33 0.896 -6.140 -8.673 277 HG3 GLU 33 2HG GLU 33 0.180 -4.889 -9.667 278 H LEU 34 H LEU 34 4.899 -4.490 -8.713 279 HA LEU 34 HA LEU 34 6.674 -3.901 -11.051 280 HB2 LEU 34 1HB LEU 34 7.161 -3.047 -8.192 281 HB3 LEU 34 2HB LEU 34 8.135 -2.660 -9.593 282 HG LEU 34 HG LEU 34 5.247 -1.729 -9.245 283 HD11 LEU 34 1HD1 LEU 34 6.700 -0.773 -7.556 284 HD12 LEU 34 2HD1 LEU 34 6.148 0.444 -8.739 285 HD13 LEU 34 3HD1 LEU 34 7.815 -0.186 -8.803 286 HD21 LEU 34 3HD2 LEU 34 5.816 -0.094 -11.012 287 HD22 LEU 34 1HD2 LEU 34 5.921 -1.750 -11.594 288 HD23 LEU 34 2HD2 LEU 34 7.411 -0.868 -11.209 289 H GLU 35 H GLU 35 9.133 -4.456 -9.754 290 HA GLU 35 HA GLU 35 8.943 -7.344 -9.080 291 HB2 GLU 35 1HB GLU 35 10.431 -6.099 -11.407 292 HB3 GLU 35 2HB GLU 35 10.871 -7.671 -10.708 293 HG2 GLU 35 1HG GLU 35 8.746 -8.646 -11.205 294 HG3 GLU 35 2HG GLU 35 8.067 -7.097 -11.696 295 H ASP 36 H ASP 36 9.263 -5.802 -7.159 296 HA ASP 36 HA ASP 36 11.946 -6.419 -6.326 297 HB2 ASP 36 1HB ASP 36 12.038 -4.064 -7.448 298 HB3 ASP 36 2HB ASP 36 11.395 -3.481 -5.926 299 H GLY 37 H GLY 37 9.023 -6.971 -5.654 300 HA2 GLY 37 1HA GLY 37 7.904 -7.491 -3.717 301 HA3 GLY 37 2HA GLY 37 9.217 -6.829 -2.759 302 H TRP 38 H TRP 38 7.649 -4.935 -5.287 303 HA TRP 38 HA TRP 38 6.498 -3.058 -3.294 304 HB2 TRP 38 1HB TRP 38 8.528 -2.540 -5.502 305 HB3 TRP 38 2HB TRP 38 7.433 -1.291 -4.954 306 HD1 TRP 38 HD TRP 38 10.680 -2.921 -3.968 307 HE1 TRP 38 1HE TRP 38 11.610 -1.821 -1.861 308 HE3 TRP 38 3HE TRP 38 6.631 -0.131 -2.705 309 HZ2 TRP 38 2HZ TRP 38 10.741 0.126 0.080 310 HZ3 TRP 38 3HZ TRP 38 6.684 1.357 -0.719 311 HH2 TRP 38 HH TRP 38 8.747 1.520 0.659 312 H MET 39 H MET 39 4.687 -1.889 -4.109 313 HA MET 39 HA MET 39 3.733 -2.546 -6.854 314 HB2 MET 39 1HB MET 39 2.067 -2.867 -4.346 315 HB3 MET 39 2HB MET 39 1.533 -3.181 -5.992 316 HG2 MET 39 1HG MET 39 2.935 -5.129 -6.191 317 HG3 MET 39 2HG MET 39 3.782 -4.777 -4.694 318 HE1 MET 39 3HE MET 39 1.377 -5.602 -1.866 319 HE2 MET 39 1HE MET 39 2.728 -4.583 -2.411 320 HE3 MET 39 2HE MET 39 1.063 -4.054 -2.685 321 H TRP 40 H TRP 40 2.752 -0.808 -7.755 322 HA TRP 40 HA TRP 40 2.624 1.728 -6.284 323 HB2 TRP 40 1HB TRP 40 3.098 1.556 -8.780 324 HB3 TRP 40 2HB TRP 40 1.396 1.151 -9.003 325 HD1 TRP 40 HD TRP 40 -0.396 3.152 -8.339 326 HE1 TRP 40 1HE TRP 40 -0.196 5.694 -8.311 327 HE3 TRP 40 3HE TRP 40 4.676 3.443 -8.346 328 HZ2 TRP 40 2HZ TRP 40 1.994 7.638 -8.258 329 HZ3 TRP 40 3HZ TRP 40 5.817 5.663 -8.284 330 HH2 TRP 40 HH TRP 40 4.471 7.735 -8.247 331 H VAL 41 H VAL 41 0.839 2.633 -5.293 332 HA VAL 41 HA VAL 41 -1.803 1.443 -5.763 333 HB VAL 41 HB VAL 41 -2.173 1.141 -3.401 334 HG11 VAL 41 1HG1 VAL 41 0.360 -0.391 -4.050 335 HG12 VAL 41 2HG1 VAL 41 -0.901 -0.831 -2.895 336 HG13 VAL 41 3HG1 VAL 41 -1.259 -0.817 -4.627 337 HG21 VAL 41 3HG2 VAL 41 -0.546 2.890 -2.555 338 HG22 VAL 41 1HG2 VAL 41 -0.442 1.366 -1.688 339 HG23 VAL 41 2HG2 VAL 41 0.774 1.771 -2.910 340 H THR 42 H THR 42 -3.439 2.662 -4.267 341 HA THR 42 HA THR 42 -2.561 5.400 -3.634 342 HB THR 42 HB THR 42 -5.469 4.665 -4.067 343 HG1 THR 42 1HG THR 42 -5.364 5.573 -6.049 344 HG21 THR 42 3HG2 THR 42 -5.558 7.219 -4.331 345 HG22 THR 42 1HG2 THR 42 -3.882 7.252 -3.814 346 HG23 THR 42 2HG2 THR 42 -5.128 6.629 -2.718 347 H ASN 43 H ASN 43 -2.959 6.000 -1.505 348 HA ASN 43 HA ASN 43 -3.877 3.909 0.384 349 HB2 ASN 43 1HB ASN 43 -1.849 5.259 0.878 350 HB3 ASN 43 2HB ASN 43 -2.841 6.723 0.895 351 HD21 ASN 43 1HD2 ASN 43 -1.624 6.434 3.316 352 HD22 ASN 43 2HD2 ASN 43 -2.795 5.825 4.452 353 H LEU 44 H LEU 44 -5.918 3.794 0.923 354 HA LEU 44 HA LEU 44 -7.914 5.718 0.080 355 HB2 LEU 44 1HB LEU 44 -8.054 3.297 1.929 356 HB3 LEU 44 2HB LEU 44 -9.446 4.197 1.352 357 HG LEU 44 HG LEU 44 -7.545 2.540 -0.340 358 HD11 LEU 44 1HD1 LEU 44 -9.517 1.185 -0.745 359 HD12 LEU 44 2HD1 LEU 44 -10.532 2.305 0.194 360 HD13 LEU 44 3HD1 LEU 44 -9.278 1.348 1.006 361 HD21 LEU 44 3HD2 LEU 44 -9.799 4.404 -1.214 362 HD22 LEU 44 1HD2 LEU 44 -9.166 3.093 -2.229 363 HD23 LEU 44 2HD2 LEU 44 -8.101 4.416 -1.751 364 H ARG 45 H ARG 45 -5.752 6.061 2.622 365 HA ARG 45 HA ARG 45 -7.532 7.233 4.583 366 HB2 ARG 45 1HB ARG 45 -5.040 6.567 4.892 367 HB3 ARG 45 2HB ARG 45 -4.658 8.097 4.099 368 HG2 ARG 45 1HG ARG 45 -6.283 9.144 5.903 369 HG3 ARG 45 2HG ARG 45 -6.079 7.607 6.740 370 HD2 ARG 45 1HD ARG 45 -3.922 9.608 5.971 371 HD3 ARG 45 2HD ARG 45 -4.546 9.305 7.598 372 HE ARG 45 HE ARG 45 -3.636 6.843 6.843 373 HH11 ARG 45 1HH1 ARG 45 -2.080 10.100 6.997 374 HH12 ARG 45 2HH1 ARG 45 -0.489 9.433 7.013 375 HH21 ARG 45 1HH2 ARG 45 -1.393 6.066 6.684 376 HH22 ARG 45 2HH2 ARG 45 -0.135 7.269 6.673 377 H THR 46 H THR 46 -5.657 8.569 1.850 378 HA THR 46 HA THR 46 -7.032 11.196 2.068 379 HB THR 46 HB THR 46 -4.482 11.938 1.753 380 HG1 THR 46 1HG THR 46 -3.219 10.409 3.088 381 HG21 THR 46 3HG2 THR 46 -4.247 12.097 4.185 382 HG22 THR 46 1HG2 THR 46 -5.555 10.925 4.418 383 HG23 THR 46 2HG2 THR 46 -5.880 12.512 3.676 384 H ASP 47 H ASP 47 -6.217 8.706 -0.010 385 HA ASP 47 HA ASP 47 -6.213 8.427 -2.185 386 HB2 ASP 47 1HB ASP 47 -8.070 10.205 -2.136 387 HB3 ASP 47 2HB ASP 47 -6.852 11.297 -2.813 388 H GLU 48 H GLU 48 -3.910 9.775 -0.552 389 HA GLU 48 HA GLU 48 -2.020 10.778 -2.490 390 HB2 GLU 48 1HB GLU 48 -1.765 9.416 0.229 391 HB3 GLU 48 2HB GLU 48 -0.358 9.796 -0.767 392 HG2 GLU 48 1HG GLU 48 -0.996 12.183 -0.797 393 HG3 GLU 48 2HG GLU 48 -2.364 11.827 0.267 394 H GLN 49 H GLN 49 -1.274 9.632 -4.201 395 HA GLN 49 HA GLN 49 -1.188 6.679 -4.081 396 HB2 GLN 49 1HB GLN 49 -0.162 8.533 -6.290 397 HB3 GLN 49 2HB GLN 49 -0.268 6.784 -6.345 398 HG2 GLN 49 1HG GLN 49 -2.167 7.121 -7.451 399 HG3 GLN 49 2HG GLN 49 -2.837 7.236 -5.839 400 HE21 GLN 49 1HE2 GLN 49 -4.422 8.637 -6.146 401 HE22 GLN 49 2HE2 GLN 49 -4.282 10.301 -6.663 402 H GLY 50 H GLY 50 0.814 5.619 -4.753 403 HA2 GLY 50 1HA GLY 50 3.280 6.416 -5.087 404 HA3 GLY 50 2HA GLY 50 3.165 6.642 -3.329 405 H LEU 51 H LEU 51 4.816 4.958 -3.354 406 HA LEU 51 HA LEU 51 3.935 2.247 -4.093 407 HB2 LEU 51 1HB LEU 51 6.535 3.728 -3.693 408 HB3 LEU 51 2HB LEU 51 6.555 1.981 -3.514 409 HG LEU 51 HG LEU 51 5.175 3.233 -5.900 410 HD11 LEU 51 1HD1 LEU 51 8.138 2.598 -5.745 411 HD12 LEU 51 2HD1 LEU 51 7.404 4.185 -6.026 412 HD13 LEU 51 3HD1 LEU 51 7.234 2.911 -7.246 413 HD21 LEU 51 3HD2 LEU 51 5.114 0.705 -5.100 414 HD22 LEU 51 1HD2 LEU 51 6.715 0.652 -5.823 415 HD23 LEU 51 2HD2 LEU 51 5.296 1.111 -6.812 416 H ILE 52 H ILE 52 3.900 0.499 -2.735 417 HA ILE 52 HA ILE 52 4.677 0.816 0.068 418 HB ILE 52 HB ILE 52 2.765 -0.349 0.928 419 HG12 ILE 52 1HG1 ILE 52 0.692 -0.301 -0.854 420 HG13 ILE 52 2HG1 ILE 52 2.056 -0.715 -1.912 421 HG21 ILE 52 1HG2 ILE 52 1.103 1.405 0.821 422 HG22 ILE 52 2HG2 ILE 52 2.726 2.118 0.856 423 HG23 ILE 52 3HG2 ILE 52 1.823 2.059 -0.671 424 HD11 ILE 52 3HD1 ILE 52 1.358 -2.174 0.679 425 HD12 ILE 52 1HD1 ILE 52 0.787 -2.668 -0.922 426 HD13 ILE 52 2HD1 ILE 52 2.524 -2.698 -0.558 427 H VAL 53 H VAL 53 5.283 -1.115 1.017 428 HA VAL 53 HA VAL 53 6.462 -3.026 -0.841 429 HB VAL 53 HB VAL 53 7.775 -1.843 0.875 430 HG11 VAL 53 1HG1 VAL 53 6.147 -1.671 2.724 431 HG12 VAL 53 2HG1 VAL 53 6.242 -3.431 2.971 432 HG13 VAL 53 3HG1 VAL 53 7.657 -2.412 3.248 433 HG21 VAL 53 3HG2 VAL 53 8.579 -3.978 0.035 434 HG22 VAL 53 1HG2 VAL 53 9.049 -3.735 1.720 435 HG23 VAL 53 2HG2 VAL 53 7.715 -4.834 1.330 436 H GLU 54 H GLU 54 5.842 -5.188 -0.963 437 HA GLU 54 HA GLU 54 3.163 -5.731 -0.046 438 HB2 GLU 54 1HB GLU 54 3.206 -7.670 -1.364 439 HB3 GLU 54 2HB GLU 54 4.014 -6.364 -2.242 440 HG2 GLU 54 1HG GLU 54 6.216 -7.341 -1.601 441 HG3 GLU 54 2HG GLU 54 5.359 -8.731 -0.908 442 H ASP 55 H ASP 55 6.099 -6.129 1.436 443 HA ASP 55 HA ASP 55 6.091 -8.492 2.887 444 HB2 ASP 55 1HB ASP 55 7.939 -6.923 2.685 445 HB3 ASP 55 2HB ASP 55 7.049 -5.692 3.564 446 H LEU 56 H LEU 56 3.976 -5.843 3.300 447 HA LEU 56 HA LEU 56 3.236 -6.606 6.109 448 HB2 LEU 56 1HB LEU 56 3.519 -3.863 4.860 449 HB3 LEU 56 2HB LEU 56 3.030 -4.169 6.528 450 HG LEU 56 HG LEU 56 5.744 -4.824 5.300 451 HD11 LEU 56 1HD1 LEU 56 6.570 -3.037 6.732 452 HD12 LEU 56 2HD1 LEU 56 4.912 -2.672 7.277 453 HD13 LEU 56 3HD1 LEU 56 5.381 -2.446 5.574 454 HD21 LEU 56 3HD2 LEU 56 6.548 -5.367 7.497 455 HD22 LEU 56 1HD2 LEU 56 5.167 -6.404 7.183 456 HD23 LEU 56 2HD2 LEU 56 4.991 -4.990 8.248 457 H VAL 57 H VAL 57 1.851 -7.017 3.269 458 HA VAL 57 HA VAL 57 -0.825 -6.065 4.155 459 HB VAL 57 HB VAL 57 -1.258 -5.824 1.628 460 HG11 VAL 57 1HG1 VAL 57 -0.425 -3.487 1.601 461 HG12 VAL 57 2HG1 VAL 57 -1.323 -3.903 3.059 462 HG13 VAL 57 3HG1 VAL 57 0.457 -3.801 3.112 463 HG21 VAL 57 3HG2 VAL 57 1.719 -5.273 1.526 464 HG22 VAL 57 1HG2 VAL 57 0.994 -6.799 0.971 465 HG23 VAL 57 2HG2 VAL 57 0.542 -5.282 0.188 466 H GLU 58 H GLU 58 -2.635 -7.291 3.463 467 HA GLU 58 HA GLU 58 -2.084 -9.987 2.301 468 HB2 GLU 58 1HB GLU 58 -3.981 -10.858 3.601 469 HB3 GLU 58 2HB GLU 58 -2.810 -10.170 4.722 470 HG2 GLU 58 1HG GLU 58 -4.202 -8.258 5.142 471 HG3 GLU 58 2HG GLU 58 -5.236 -8.587 3.773 472 H GLU 59 H GLU 59 -3.355 -10.829 0.934 473 HA GLU 59 HA GLU 59 -4.681 -9.252 -0.956 474 HB2 GLU 59 1HB GLU 59 -3.501 -11.844 -0.629 475 HB3 GLU 59 2HB GLU 59 -5.140 -12.192 -1.080 476 HG2 GLU 59 1HG GLU 59 -3.605 -10.072 -2.598 477 HG3 GLU 59 2HG GLU 59 -3.213 -11.759 -2.777 478 H VAL 60 H VAL 60 -6.506 -8.253 -0.224 479 HA VAL 60 HA VAL 60 -8.630 -9.966 0.924 480 HB VAL 60 HB VAL 60 -7.431 -8.226 2.257 481 HG11 VAL 60 1HG1 VAL 60 -8.162 -5.866 2.048 482 HG12 VAL 60 2HG1 VAL 60 -7.364 -6.398 0.564 483 HG13 VAL 60 3HG1 VAL 60 -9.125 -6.266 0.628 484 HG21 VAL 60 3HG2 VAL 60 -10.401 -8.012 2.063 485 HG22 VAL 60 1HG2 VAL 60 -9.475 -9.232 2.974 486 HG23 VAL 60 2HG2 VAL 60 -9.366 -7.525 3.445 487 H GLY 61 H GLY 61 -10.655 -9.781 0.331 488 HA2 GLY 61 1HA GLY 61 -11.270 -8.603 -2.362 489 HA3 GLY 61 2HA GLY 61 -12.201 -9.823 -1.512 490 H ARG 62 H ARG 62 -11.078 -6.571 -0.878 491 HA ARG 62 HA ARG 62 -13.805 -5.731 0.041 492 HB2 ARG 62 1HB ARG 62 -11.209 -5.217 1.555 493 HB3 ARG 62 2HB ARG 62 -12.731 -4.388 1.866 494 HG2 ARG 62 1HG ARG 62 -13.826 -6.422 2.560 495 HG3 ARG 62 2HG ARG 62 -12.505 -7.419 1.976 496 HD2 ARG 62 1HD ARG 62 -11.072 -5.928 3.694 497 HD3 ARG 62 2HD ARG 62 -12.656 -5.734 4.458 498 HE ARG 62 HE ARG 62 -11.120 -8.229 3.986 499 HH11 ARG 62 1HH1 ARG 62 -13.980 -6.832 5.521 500 HH12 ARG 62 2HH1 ARG 62 -14.080 -8.009 6.756 501 HH21 ARG 62 1HH2 ARG 62 -11.248 -9.882 5.581 502 HH22 ARG 62 2HH2 ARG 62 -12.620 -9.935 6.610 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -11.495 -7.363 -14.015 2 HA2 GLY 1 1HA GLY 1 -12.029 -7.796 -11.656 3 HA3 GLY 1 2HA GLY 1 -10.277 -7.740 -11.954 4 H ARG 2 H ARG 2 -10.853 -7.328 -9.443 5 HA ARG 2 HA ARG 2 -10.028 -4.546 -9.020 6 HB2 ARG 2 1HB ARG 2 -12.200 -5.997 -7.421 7 HB3 ARG 2 2HB ARG 2 -11.399 -4.519 -6.887 8 HG2 ARG 2 1HG ARG 2 -12.432 -3.194 -8.605 9 HG3 ARG 2 2HG ARG 2 -13.020 -4.633 -9.466 10 HD2 ARG 2 1HD ARG 2 -14.413 -5.260 -7.567 11 HD3 ARG 2 2HD ARG 2 -13.867 -3.845 -6.660 12 HE ARG 2 HE ARG 2 -14.853 -2.611 -8.801 13 HH11 ARG 2 1HH1 ARG 2 -16.332 -5.577 -7.470 14 HH12 ARG 2 2HH1 ARG 2 -17.953 -4.956 -7.708 15 HH21 ARG 2 1HH2 ARG 2 -17.086 -1.768 -8.783 16 HH22 ARG 2 2HH2 ARG 2 -18.344 -2.884 -8.331 17 H ARG 3 H ARG 3 -8.097 -4.773 -7.806 18 HA ARG 3 HA ARG 3 -7.764 -7.212 -6.126 19 HB2 ARG 3 1HB ARG 3 -6.562 -7.000 -8.467 20 HB3 ARG 3 2HB ARG 3 -5.488 -5.890 -7.634 21 HG2 ARG 3 1HG ARG 3 -6.004 -8.818 -6.955 22 HG3 ARG 3 2HG ARG 3 -4.615 -8.152 -7.798 23 HD2 ARG 3 1HD ARG 3 -3.625 -8.297 -5.772 24 HD3 ARG 3 2HD ARG 3 -4.361 -6.718 -5.541 25 HE ARG 3 HE ARG 3 -5.561 -7.600 -3.813 26 HH11 ARG 3 1HH1 ARG 3 -4.386 -10.353 -5.767 27 HH12 ARG 3 2HH1 ARG 3 -4.905 -11.487 -4.578 28 HH21 ARG 3 1HH2 ARG 3 -6.537 -9.140 -2.483 29 HH22 ARG 3 2HH2 ARG 3 -6.107 -10.830 -2.775 30 H ARG 4 H ARG 4 -7.682 -6.520 -4.031 31 HA ARG 4 HA ARG 4 -6.403 -3.901 -3.332 32 HB2 ARG 4 1HB ARG 4 -8.898 -5.354 -2.352 33 HB3 ARG 4 2HB ARG 4 -8.028 -4.294 -1.268 34 HG2 ARG 4 1HG ARG 4 -10.071 -3.359 -2.565 35 HG3 ARG 4 2HG ARG 4 -8.647 -2.364 -2.358 36 HD2 ARG 4 1HD ARG 4 -7.885 -2.767 -4.510 37 HD3 ARG 4 2HD ARG 4 -9.089 -4.070 -4.808 38 HE ARG 4 HE ARG 4 -10.714 -2.023 -4.589 39 HH11 ARG 4 1HH1 ARG 4 -7.780 -2.692 -6.535 40 HH12 ARG 4 2HH1 ARG 4 -8.345 -1.771 -7.885 41 HH21 ARG 4 1HH2 ARG 4 -11.446 -0.848 -6.478 42 HH22 ARG 4 2HH2 ARG 4 -10.552 -1.102 -7.962 43 H VAL 5 H VAL 5 -5.378 -3.883 -1.212 44 HA VAL 5 HA VAL 5 -4.995 -6.476 0.068 45 HB VAL 5 HB VAL 5 -2.628 -6.140 0.444 46 HG11 VAL 5 1HG1 VAL 5 -1.830 -6.874 -1.697 47 HG12 VAL 5 2HG1 VAL 5 -3.410 -7.596 -1.406 48 HG13 VAL 5 3HG1 VAL 5 -3.250 -6.229 -2.537 49 HG21 VAL 5 3HG2 VAL 5 -2.451 -3.720 0.159 50 HG22 VAL 5 1HG2 VAL 5 -1.312 -4.557 -0.899 51 HG23 VAL 5 2HG2 VAL 5 -2.808 -3.865 -1.575 52 H ARG 6 H ARG 6 -4.161 -6.021 2.370 53 HA ARG 6 HA ARG 6 -5.205 -3.389 3.431 54 HB2 ARG 6 1HB ARG 6 -6.839 -5.190 3.797 55 HB3 ARG 6 2HB ARG 6 -5.561 -6.286 4.259 56 HG2 ARG 6 1HG ARG 6 -6.501 -5.862 6.286 57 HG3 ARG 6 2HG ARG 6 -5.146 -4.783 6.328 58 HD2 ARG 6 1HD ARG 6 -7.120 -3.636 7.180 59 HD3 ARG 6 2HD ARG 6 -6.607 -2.882 5.677 60 HE ARG 6 HE ARG 6 -8.608 -3.500 4.697 61 HH11 ARG 6 1HH1 ARG 6 -8.306 -5.446 7.760 62 HH12 ARG 6 2HH1 ARG 6 -9.491 -6.573 7.171 63 HH21 ARG 6 1HH2 ARG 6 -10.477 -4.709 4.383 64 HH22 ARG 6 2HH2 ARG 6 -10.908 -5.977 5.505 65 H ALA 7 H ALA 7 -3.679 -2.377 4.918 66 HA ALA 7 HA ALA 7 -1.148 -3.722 5.477 67 HB1 ALA 7 1HB ALA 7 -2.425 -1.083 6.435 68 HB2 ALA 7 2HB ALA 7 -0.787 -1.609 6.823 69 HB3 ALA 7 3HB ALA 7 -1.219 -1.253 5.147 70 H ILE 8 H ILE 8 -0.873 -5.089 7.091 71 HA ILE 8 HA ILE 8 -2.606 -4.718 9.481 72 HB ILE 8 HB ILE 8 -2.643 -6.914 10.011 73 HG12 ILE 8 1HG1 ILE 8 -0.245 -7.335 9.101 74 HG13 ILE 8 2HG1 ILE 8 -1.391 -8.658 9.309 75 HG21 ILE 8 1HG2 ILE 8 -3.225 -6.803 7.008 76 HG22 ILE 8 2HG2 ILE 8 -3.912 -7.928 8.184 77 HG23 ILE 8 3HG2 ILE 8 -4.283 -6.202 8.286 78 HD11 ILE 8 3HD1 ILE 8 -0.837 -7.280 6.681 79 HD12 ILE 8 1HD1 ILE 8 -0.038 -8.767 7.226 80 HD13 ILE 8 2HD1 ILE 8 -1.784 -8.764 6.929 81 H LEU 9 H LEU 9 0.381 -3.924 8.414 82 HA LEU 9 HA LEU 9 1.109 -3.334 11.174 83 HB2 LEU 9 1HB LEU 9 2.720 -5.069 9.343 84 HB3 LEU 9 2HB LEU 9 3.611 -3.876 10.265 85 HG LEU 9 HG LEU 9 1.838 -6.040 11.475 86 HD11 LEU 9 1HD1 LEU 9 4.865 -5.772 11.332 87 HD12 LEU 9 2HD1 LEU 9 3.875 -6.879 10.366 88 HD13 LEU 9 3HD1 LEU 9 3.950 -7.088 12.120 89 HD21 LEU 9 3HD2 LEU 9 3.788 -4.139 12.855 90 HD22 LEU 9 1HD2 LEU 9 2.892 -5.452 13.622 91 HD23 LEU 9 2HD2 LEU 9 2.005 -4.060 13.006 92 HA PRO 10 HA PRO 10 2.061 0.483 9.127 93 HB2 PRO 10 1HB PRO 10 3.595 1.770 10.963 94 HB3 PRO 10 2HB PRO 10 1.945 1.216 11.405 95 HG2 PRO 10 1HG PRO 10 4.549 -0.160 12.016 96 HG3 PRO 10 2HG PRO 10 3.147 0.154 13.103 97 HD2 PRO 10 1HD PRO 10 3.551 -2.209 11.782 98 HD3 PRO 10 2HD PRO 10 1.940 -1.595 12.278 99 H TYR 11 H TYR 11 3.899 1.920 8.259 100 HA TYR 11 HA TYR 11 6.589 0.849 8.322 101 HB2 TYR 11 1HB TYR 11 5.384 -0.385 6.448 102 HB3 TYR 11 2HB TYR 11 5.134 1.156 5.678 103 HD1 TYR 11 2HD TYR 11 7.623 -1.419 6.596 104 HD2 TYR 11 1HD TYR 11 7.000 2.270 4.436 105 HE1 TYR 11 2HE TYR 11 9.669 -1.833 5.279 106 HE2 TYR 11 1HE TYR 11 9.041 1.881 3.165 107 HH TYR 11 HH TYR 11 10.823 0.402 2.714 108 H THR 12 H THR 12 8.058 2.423 7.216 109 HA THR 12 HA THR 12 6.988 5.187 7.074 110 HB THR 12 HB THR 12 9.384 4.111 8.583 111 HG1 THR 12 1HG THR 12 7.413 4.383 9.647 112 HG21 THR 12 3HG2 THR 12 10.051 6.489 8.987 113 HG22 THR 12 1HG2 THR 12 8.953 6.983 7.669 114 HG23 THR 12 2HG2 THR 12 10.353 5.940 7.336 115 H LYS 13 H LYS 13 7.238 5.973 5.161 116 HA LYS 13 HA LYS 13 8.796 4.851 3.068 117 HB2 LYS 13 1HB LYS 13 8.236 6.794 1.845 118 HB3 LYS 13 2HB LYS 13 6.797 6.236 2.676 119 HG2 LYS 13 1HG LYS 13 6.866 8.121 4.179 120 HG3 LYS 13 2HG LYS 13 8.506 8.558 3.702 121 HD2 LYS 13 1HD LYS 13 6.086 8.749 1.884 122 HD3 LYS 13 2HD LYS 13 6.878 10.070 2.752 123 HE2 LYS 13 1HE LYS 13 9.041 9.400 1.536 124 HE3 LYS 13 2HE LYS 13 8.040 8.383 0.493 125 HZ1 LYS 13 3HZ LYS 13 8.358 10.411 -0.577 126 HZ2 LYS 13 1HZ LYS 13 7.955 11.304 0.769 127 HZ3 LYS 13 2HZ LYS 13 6.818 10.444 -0.101 128 H VAL 14 H VAL 14 10.768 5.528 2.121 129 HA VAL 14 HA VAL 14 12.651 6.940 3.825 130 HB VAL 14 HB VAL 14 12.769 6.218 0.865 131 HG11 VAL 14 1HG1 VAL 14 15.061 6.866 2.778 132 HG12 VAL 14 2HG1 VAL 14 15.201 6.387 1.077 133 HG13 VAL 14 3HG1 VAL 14 14.476 7.938 1.481 134 HG21 VAL 14 3HG2 VAL 14 13.891 4.741 3.286 135 HG22 VAL 14 1HG2 VAL 14 12.542 4.204 2.261 136 HG23 VAL 14 2HG2 VAL 14 14.156 4.318 1.580 137 HA PRO 15 HA PRO 15 11.297 11.072 2.597 138 HB2 PRO 15 1HB PRO 15 13.609 12.456 3.279 139 HB3 PRO 15 2HB PRO 15 12.384 11.908 4.462 140 HG2 PRO 15 1HG PRO 15 14.970 10.586 3.689 141 HG3 PRO 15 2HG PRO 15 14.304 10.829 5.343 142 HD2 PRO 15 1HD PRO 15 14.049 8.473 4.111 143 HD3 PRO 15 2HD PRO 15 12.729 9.140 5.101 144 H ASP 16 H ASP 16 11.817 12.585 0.901 145 HA ASP 16 HA ASP 16 12.309 13.091 -1.221 146 HB2 ASP 16 1HB ASP 16 14.452 13.570 -0.005 147 HB3 ASP 16 2HB ASP 16 15.087 12.039 -0.600 148 H THR 17 H THR 17 10.949 10.629 -1.030 149 HA THR 17 HA THR 17 11.811 9.431 -3.555 150 HB THR 17 HB THR 17 11.541 7.177 -2.844 151 HG1 THR 17 1HG THR 17 11.061 8.001 -0.173 152 HG21 THR 17 3HG2 THR 17 13.787 8.173 -2.343 153 HG22 THR 17 1HG2 THR 17 13.362 6.752 -1.373 154 HG23 THR 17 2HG2 THR 17 13.270 8.379 -0.664 155 H ASP 18 H ASP 18 10.138 8.156 -4.572 156 HA ASP 18 HA ASP 18 7.657 9.302 -4.844 157 HB2 ASP 18 1HB ASP 18 8.377 6.417 -5.460 158 HB3 ASP 18 2HB ASP 18 7.125 7.358 -6.228 159 H GLU 19 H GLU 19 8.607 7.186 -2.325 160 HA GLU 19 HA GLU 19 6.445 5.389 -2.017 161 HB2 GLU 19 1HB GLU 19 8.560 6.503 -0.197 162 HB3 GLU 19 2HB GLU 19 7.289 5.451 0.405 163 HG2 GLU 19 1HG GLU 19 8.081 3.741 -1.323 164 HG3 GLU 19 2HG GLU 19 9.554 4.727 -1.425 165 H ILE 20 H ILE 20 5.045 5.242 -0.003 166 HA ILE 20 HA ILE 20 4.145 7.835 1.031 167 HB ILE 20 HB ILE 20 1.790 6.897 1.041 168 HG12 ILE 20 1HG1 ILE 20 2.725 5.088 -1.239 169 HG13 ILE 20 2HG1 ILE 20 2.553 4.500 0.415 170 HG21 ILE 20 1HG2 ILE 20 2.561 8.709 -0.516 171 HG22 ILE 20 2HG2 ILE 20 3.004 7.482 -1.689 172 HG23 ILE 20 3HG2 ILE 20 1.308 7.706 -1.223 173 HD11 ILE 20 3HD1 ILE 20 0.174 5.204 0.416 174 HD12 ILE 20 1HD1 ILE 20 0.320 5.656 -1.301 175 HD13 ILE 20 2HD1 ILE 20 0.547 3.972 -0.795 176 H SER 21 H SER 21 3.771 7.852 3.244 177 HA SER 21 HA SER 21 4.666 5.627 4.866 178 HB2 SER 21 1HB SER 21 3.806 7.292 6.646 179 HB3 SER 21 2HB SER 21 5.214 7.731 5.691 180 HG SER 21 HG SER 21 3.251 9.270 5.956 181 H PHE 22 H PHE 22 3.277 4.285 6.279 182 HA PHE 22 HA PHE 22 0.456 5.011 6.455 183 HB2 PHE 22 1HB PHE 22 -0.358 2.769 5.715 184 HB3 PHE 22 2HB PHE 22 0.303 3.748 4.426 185 HD1 PHE 22 2HD PHE 22 1.152 0.903 6.749 186 HD2 PHE 22 1HD PHE 22 2.067 2.936 3.043 187 HE1 PHE 22 2HE PHE 22 2.713 -0.905 6.128 188 HE2 PHE 22 1HE PHE 22 3.585 1.072 2.429 189 HZ PHE 22 HZ PHE 22 3.885 -0.856 3.937 190 H LEU 23 H LEU 23 -0.773 3.804 8.071 191 HA LEU 23 HA LEU 23 0.988 2.380 9.976 192 HB2 LEU 23 1HB LEU 23 -1.674 3.725 10.532 193 HB3 LEU 23 2HB LEU 23 -0.748 2.804 11.670 194 HG LEU 23 HG LEU 23 -0.467 5.069 12.167 195 HD11 LEU 23 1HD1 LEU 23 1.941 5.296 12.231 196 HD12 LEU 23 2HD1 LEU 23 2.139 4.157 10.889 197 HD13 LEU 23 3HD1 LEU 23 1.514 3.593 12.459 198 HD21 LEU 23 3HD2 LEU 23 0.700 5.672 9.449 199 HD22 LEU 23 1HD2 LEU 23 0.506 6.781 10.794 200 HD23 LEU 23 2HD2 LEU 23 -0.933 6.120 9.989 201 H LYS 24 H LYS 24 -0.334 0.725 11.249 202 HA LYS 24 HA LYS 24 -1.414 -1.366 9.579 203 HB2 LYS 24 1HB LYS 24 -0.333 -1.740 11.761 204 HB3 LYS 24 2HB LYS 24 -1.512 -0.737 12.571 205 HG2 LYS 24 1HG LYS 24 -3.285 -2.343 12.209 206 HG3 LYS 24 2HG LYS 24 -2.260 -3.293 11.133 207 HD2 LYS 24 1HD LYS 24 -0.651 -3.646 13.069 208 HD3 LYS 24 2HD LYS 24 -1.822 -2.877 14.137 209 HE2 LYS 24 1HE LYS 24 -2.680 -5.205 12.390 210 HE3 LYS 24 2HE LYS 24 -1.679 -5.528 13.802 211 HZ1 LYS 24 3HZ LYS 24 -4.231 -4.059 13.983 212 HZ2 LYS 24 1HZ LYS 24 -3.294 -4.620 15.216 213 HZ3 LYS 24 2HZ LYS 24 -4.058 -5.690 14.238 214 H GLY 25 H GLY 25 -3.560 -1.637 8.914 215 HA2 GLY 25 1HA GLY 25 -5.858 -1.603 9.340 216 HA3 GLY 25 2HA GLY 25 -5.674 -0.152 10.321 217 H ASP 26 H ASP 26 -3.869 0.745 7.766 218 HA ASP 26 HA ASP 26 -6.068 1.788 6.060 219 HB2 ASP 26 1HB ASP 26 -3.065 2.090 6.224 220 HB3 ASP 26 2HB ASP 26 -3.770 2.166 4.630 221 H MET 27 H MET 27 -5.924 1.255 3.633 222 HA MET 27 HA MET 27 -4.739 -1.263 3.064 223 HB2 MET 27 1HB MET 27 -6.724 -2.125 2.253 224 HB3 MET 27 2HB MET 27 -7.057 -1.783 3.906 225 HG2 MET 27 1HG MET 27 -8.370 0.051 3.280 226 HG3 MET 27 2HG MET 27 -7.891 -0.016 1.590 227 HE1 MET 27 3HE MET 27 -9.730 -2.932 -0.005 228 HE2 MET 27 1HE MET 27 -8.933 -1.373 -0.264 229 HE3 MET 27 2HE MET 27 -8.023 -2.719 0.438 230 H PHE 28 H PHE 28 -5.160 -1.615 0.709 231 HA PHE 28 HA PHE 28 -4.624 0.918 -0.753 232 HB2 PHE 28 1HB PHE 28 -2.761 -1.473 -0.894 233 HB3 PHE 28 2HB PHE 28 -2.503 0.150 -1.505 234 HD1 PHE 28 2HD PHE 28 -2.795 2.025 0.565 235 HD2 PHE 28 1HD PHE 28 -1.308 -2.009 0.866 236 HE1 PHE 28 2HE PHE 28 -1.719 2.574 2.728 237 HE2 PHE 28 1HE PHE 28 -0.183 -1.435 2.988 238 HZ PHE 28 HZ PHE 28 -0.454 0.812 3.959 239 H ILE 29 H ILE 29 -4.437 0.589 -3.036 240 HA ILE 29 HA ILE 29 -5.936 -1.739 -4.121 241 HB ILE 29 HB ILE 29 -7.049 -0.187 -5.596 242 HG12 ILE 29 1HG1 ILE 29 -5.439 2.037 -4.242 243 HG13 ILE 29 2HG1 ILE 29 -5.353 1.538 -5.938 244 HG21 ILE 29 1HG2 ILE 29 -7.258 1.033 -2.825 245 HG22 ILE 29 2HG2 ILE 29 -8.548 0.764 -4.016 246 HG23 ILE 29 3HG2 ILE 29 -7.829 -0.601 -3.168 247 HD11 ILE 29 3HD1 ILE 29 -6.643 3.520 -5.859 248 HD12 ILE 29 1HD1 ILE 29 -7.724 2.144 -6.226 249 HD13 ILE 29 2HD1 ILE 29 -7.688 2.883 -4.597 250 H VAL 30 H VAL 30 -4.878 -2.795 -5.856 251 HA VAL 30 HA VAL 30 -2.202 -1.930 -6.509 252 HB VAL 30 HB VAL 30 -4.025 -3.916 -7.943 253 HG11 VAL 30 1HG1 VAL 30 -2.151 -3.268 -9.373 254 HG12 VAL 30 2HG1 VAL 30 -1.002 -3.443 -8.023 255 HG13 VAL 30 3HG1 VAL 30 -1.809 -4.859 -8.700 256 HG21 VAL 30 3HG2 VAL 30 -3.591 -4.554 -5.511 257 HG22 VAL 30 1HG2 VAL 30 -2.831 -5.652 -6.687 258 HG23 VAL 30 2HG2 VAL 30 -1.853 -4.449 -5.878 259 H HIS 31 H HIS 31 -1.651 -0.324 -7.955 260 HA HIS 31 HA HIS 31 -3.508 0.203 -10.221 261 HB2 HIS 31 1HB HIS 31 -2.361 2.096 -8.200 262 HB3 HIS 31 2HB HIS 31 -2.288 2.614 -9.871 263 HD1 HIS 31 1HD HIS 31 -5.050 1.690 -11.032 264 HD2 HIS 31 2HD HIS 31 -4.311 3.416 -7.273 265 HE1 HIS 31 1HE HIS 31 -7.277 2.651 -10.274 266 H ASN 32 H ASN 32 -0.251 -0.563 -9.247 267 HA ASN 32 HA ASN 32 0.020 -1.251 -11.995 268 HB2 ASN 32 1HB ASN 32 1.252 1.081 -11.573 269 HB3 ASN 32 2HB ASN 32 2.529 0.057 -10.948 270 HD21 ASN 32 1HD2 ASN 32 3.757 -1.210 -12.626 271 HD22 ASN 32 2HD2 ASN 32 3.442 -0.833 -14.303 272 H GLU 33 H GLU 33 1.890 -2.558 -12.182 273 HA GLU 33 HA GLU 33 2.561 -4.148 -9.707 274 HB2 GLU 33 1HB GLU 33 1.704 -5.133 -12.449 275 HB3 GLU 33 2HB GLU 33 2.576 -6.155 -11.313 276 HG2 GLU 33 1HG GLU 33 0.747 -6.556 -10.080 277 HG3 GLU 33 2HG GLU 33 0.355 -4.861 -9.945 278 H LEU 34 H LEU 34 4.705 -4.196 -9.349 279 HA LEU 34 HA LEU 34 6.527 -3.451 -11.591 280 HB2 LEU 34 1HB LEU 34 6.941 -2.880 -8.672 281 HB3 LEU 34 2HB LEU 34 7.909 -2.313 -10.018 282 HG LEU 34 HG LEU 34 5.038 -1.457 -10.085 283 HD11 LEU 34 1HD1 LEU 34 6.998 -0.242 -8.118 284 HD12 LEU 34 2HD1 LEU 34 5.593 -1.216 -7.684 285 HD13 LEU 34 3HD1 LEU 34 5.352 0.330 -8.506 286 HD21 LEU 34 3HD2 LEU 34 5.956 0.570 -10.940 287 HD22 LEU 34 1HD2 LEU 34 6.851 -0.760 -11.717 288 HD23 LEU 34 2HD2 LEU 34 7.593 0.144 -10.390 289 H GLU 35 H GLU 35 8.921 -4.054 -10.288 290 HA GLU 35 HA GLU 35 8.886 -7.031 -10.013 291 HB2 GLU 35 1HB GLU 35 10.305 -5.258 -12.029 292 HB3 GLU 35 2HB GLU 35 10.885 -6.877 -11.676 293 HG2 GLU 35 1HG GLU 35 7.995 -6.553 -12.490 294 HG3 GLU 35 2HG GLU 35 9.254 -6.390 -13.705 295 H ASP 36 H ASP 36 9.190 -6.145 -7.789 296 HA ASP 36 HA ASP 36 11.901 -6.412 -6.972 297 HB2 ASP 36 1HB ASP 36 11.863 -3.925 -7.770 298 HB3 ASP 36 2HB ASP 36 10.953 -3.627 -6.296 299 H GLY 37 H GLY 37 8.869 -7.025 -6.342 300 HA2 GLY 37 1HA GLY 37 7.569 -7.540 -4.571 301 HA3 GLY 37 2HA GLY 37 8.918 -7.335 -3.476 302 H TRP 38 H TRP 38 7.367 -5.015 -5.719 303 HA TRP 38 HA TRP 38 6.415 -3.285 -3.542 304 HB2 TRP 38 1HB TRP 38 8.465 -2.506 -5.671 305 HB3 TRP 38 2HB TRP 38 7.382 -1.334 -4.959 306 HD1 TRP 38 HD TRP 38 10.560 -3.243 -4.150 307 HE1 TRP 38 1HE TRP 38 11.562 -2.337 -1.973 308 HE3 TRP 38 3HE TRP 38 6.694 -0.296 -2.692 309 HZ2 TRP 38 2HZ TRP 38 10.759 -0.567 0.161 310 HZ3 TRP 38 3HZ TRP 38 6.799 0.983 -0.571 311 HH2 TRP 38 HH TRP 38 8.835 0.850 0.871 312 H MET 39 H MET 39 4.642 -2.046 -4.302 313 HA MET 39 HA MET 39 3.742 -2.417 -7.129 314 HB2 MET 39 1HB MET 39 2.060 -2.670 -4.622 315 HB3 MET 39 2HB MET 39 1.420 -2.658 -6.258 316 HG2 MET 39 1HG MET 39 2.349 -4.758 -6.800 317 HG3 MET 39 2HG MET 39 3.463 -4.745 -5.432 318 HE1 MET 39 3HE MET 39 1.602 -3.927 -2.845 319 HE2 MET 39 1HE MET 39 1.492 -5.629 -2.348 320 HE3 MET 39 2HE MET 39 2.984 -4.992 -3.082 321 H TRP 40 H TRP 40 2.739 -0.575 -7.979 322 HA TRP 40 HA TRP 40 2.702 1.883 -6.376 323 HB2 TRP 40 1HB TRP 40 3.265 1.815 -8.862 324 HB3 TRP 40 2HB TRP 40 1.577 1.401 -9.149 325 HD1 TRP 40 HD TRP 40 -0.269 3.308 -8.520 326 HE1 TRP 40 1HE TRP 40 -0.122 5.824 -8.352 327 HE3 TRP 40 3HE TRP 40 4.764 3.670 -8.155 328 HZ2 TRP 40 2HZ TRP 40 2.031 7.835 -7.984 329 HZ3 TRP 40 3HZ TRP 40 5.885 5.902 -7.847 330 HH2 TRP 40 HH TRP 40 4.518 7.971 -7.772 331 H VAL 41 H VAL 41 0.880 2.703 -5.424 332 HA VAL 41 HA VAL 41 -1.716 1.388 -5.887 333 HB VAL 41 HB VAL 41 -2.018 1.072 -3.479 334 HG11 VAL 41 1HG1 VAL 41 -1.020 -0.811 -4.801 335 HG12 VAL 41 2HG1 VAL 41 0.584 -0.307 -4.229 336 HG13 VAL 41 3HG1 VAL 41 -0.647 -0.845 -3.074 337 HG21 VAL 41 3HG2 VAL 41 -0.301 1.383 -1.834 338 HG22 VAL 41 1HG2 VAL 41 0.894 1.839 -3.072 339 HG23 VAL 41 2HG2 VAL 41 -0.472 2.907 -2.702 340 H THR 42 H THR 42 -3.234 2.549 -4.045 341 HA THR 42 HA THR 42 -2.457 5.296 -3.622 342 HB THR 42 HB THR 42 -5.277 4.560 -4.513 343 HG1 THR 42 1HG THR 42 -3.015 5.360 -5.889 344 HG21 THR 42 3HG2 THR 42 -3.988 7.279 -4.042 345 HG22 THR 42 1HG2 THR 42 -5.250 6.514 -3.054 346 HG23 THR 42 2HG2 THR 42 -5.595 6.995 -4.719 347 H ASN 43 H ASN 43 -3.199 5.967 -1.483 348 HA ASN 43 HA ASN 43 -4.102 3.698 0.216 349 HB2 ASN 43 1HB ASN 43 -2.012 5.206 0.748 350 HB3 ASN 43 2HB ASN 43 -3.214 6.447 1.026 351 HD21 ASN 43 1HD2 ASN 43 -2.069 6.311 3.329 352 HD22 ASN 43 2HD2 ASN 43 -2.997 5.229 4.394 353 H LEU 44 H LEU 44 -6.092 3.774 1.073 354 HA LEU 44 HA LEU 44 -8.000 5.659 -0.005 355 HB2 LEU 44 1HB LEU 44 -8.389 3.781 2.356 356 HB3 LEU 44 2HB LEU 44 -9.637 4.530 1.367 357 HG LEU 44 HG LEU 44 -7.713 2.320 0.559 358 HD11 LEU 44 1HD1 LEU 44 -9.804 1.051 0.295 359 HD12 LEU 44 2HD1 LEU 44 -10.739 2.502 0.775 360 HD13 LEU 44 3HD1 LEU 44 -9.653 1.719 1.946 361 HD21 LEU 44 3HD2 LEU 44 -8.909 2.267 -1.631 362 HD22 LEU 44 1HD2 LEU 44 -7.909 3.700 -1.429 363 HD23 LEU 44 2HD2 LEU 44 -9.669 3.823 -1.230 364 H ARG 45 H ARG 45 -5.822 6.060 2.631 365 HA ARG 45 HA ARG 45 -7.565 7.375 4.463 366 HB2 ARG 45 1HB ARG 45 -5.078 6.501 4.730 367 HB3 ARG 45 2HB ARG 45 -4.649 8.149 4.272 368 HG2 ARG 45 1HG ARG 45 -6.371 8.826 6.166 369 HG3 ARG 45 2HG ARG 45 -6.228 7.147 6.675 370 HD2 ARG 45 1HD ARG 45 -4.121 9.313 6.590 371 HD3 ARG 45 2HD ARG 45 -4.680 8.391 8.006 372 HE ARG 45 HE ARG 45 -3.674 6.399 6.592 373 HH11 ARG 45 1HH1 ARG 45 -2.155 9.644 6.901 374 HH12 ARG 45 2HH1 ARG 45 -0.688 9.065 6.181 375 HH21 ARG 45 1HH2 ARG 45 -1.744 5.750 5.825 376 HH22 ARG 45 2HH2 ARG 45 -0.433 6.873 5.509 377 H THR 46 H THR 46 -5.546 8.719 1.813 378 HA THR 46 HA THR 46 -7.013 11.307 1.985 379 HB THR 46 HB THR 46 -4.790 12.457 1.803 380 HG1 THR 46 1HG THR 46 -3.405 11.064 1.114 381 HG21 THR 46 3HG2 THR 46 -4.848 10.711 4.280 382 HG22 THR 46 1HG2 THR 46 -5.872 12.157 4.044 383 HG23 THR 46 2HG2 THR 46 -4.114 12.324 4.056 384 H ASP 47 H ASP 47 -6.548 8.792 0.038 385 HA ASP 47 HA ASP 47 -6.182 8.350 -2.110 386 HB2 ASP 47 1HB ASP 47 -7.947 10.250 -2.283 387 HB3 ASP 47 2HB ASP 47 -6.613 11.247 -2.886 388 H GLU 48 H GLU 48 -3.941 8.872 -0.486 389 HA GLU 48 HA GLU 48 -1.917 10.374 -1.996 390 HB2 GLU 48 1HB GLU 48 -0.338 9.721 -0.374 391 HB3 GLU 48 2HB GLU 48 -1.791 10.443 0.359 392 HG2 GLU 48 1HG GLU 48 -2.666 8.418 1.004 393 HG3 GLU 48 2HG GLU 48 -1.388 7.592 0.086 394 H GLN 49 H GLN 49 -0.296 9.475 -3.311 395 HA GLN 49 HA GLN 49 -0.844 6.658 -4.108 396 HB2 GLN 49 1HB GLN 49 -0.176 9.081 -5.849 397 HB3 GLN 49 2HB GLN 49 -0.383 7.438 -6.453 398 HG2 GLN 49 1HG GLN 49 -2.724 7.465 -6.081 399 HG3 GLN 49 2HG GLN 49 -2.647 8.905 -5.058 400 HE21 GLN 49 1HE2 GLN 49 -3.866 8.115 -8.037 401 HE22 GLN 49 2HE2 GLN 49 -3.397 9.586 -8.861 402 H GLY 50 H GLY 50 1.001 5.566 -4.951 403 HA2 GLY 50 1HA GLY 50 3.553 6.179 -5.382 404 HA3 GLY 50 2HA GLY 50 3.472 6.500 -3.646 405 H LEU 51 H LEU 51 4.888 4.789 -3.248 406 HA LEU 51 HA LEU 51 4.153 2.079 -4.173 407 HB2 LEU 51 1HB LEU 51 6.746 3.387 -3.267 408 HB3 LEU 51 2HB LEU 51 6.626 1.700 -3.736 409 HG LEU 51 HG LEU 51 5.778 3.926 -5.641 410 HD11 LEU 51 1HD1 LEU 51 8.503 2.650 -5.449 411 HD12 LEU 51 2HD1 LEU 51 8.130 4.303 -4.981 412 HD13 LEU 51 3HD1 LEU 51 7.968 3.799 -6.686 413 HD21 LEU 51 3HD2 LEU 51 5.000 1.673 -6.224 414 HD22 LEU 51 1HD2 LEU 51 6.642 1.028 -6.019 415 HD23 LEU 51 2HD2 LEU 51 6.296 2.168 -7.333 416 H ILE 52 H ILE 52 4.021 0.328 -2.815 417 HA ILE 52 HA ILE 52 4.707 0.603 0.029 418 HB ILE 52 HB ILE 52 2.734 -0.511 0.799 419 HG12 ILE 52 1HG1 ILE 52 0.777 -0.457 -1.147 420 HG13 ILE 52 2HG1 ILE 52 2.202 -0.957 -2.066 421 HG21 ILE 52 1HG2 ILE 52 1.871 1.849 -0.925 422 HG22 ILE 52 2HG2 ILE 52 1.055 1.235 0.534 423 HG23 ILE 52 3HG2 ILE 52 2.661 1.986 0.633 424 HD11 ILE 52 3HD1 ILE 52 0.779 -2.820 -1.100 425 HD12 ILE 52 1HD1 ILE 52 2.485 -2.897 -0.617 426 HD13 ILE 52 2HD1 ILE 52 1.260 -2.288 0.519 427 H VAL 53 H VAL 53 5.333 -1.353 0.967 428 HA VAL 53 HA VAL 53 6.431 -3.314 -0.891 429 HB VAL 53 HB VAL 53 7.667 -2.139 1.003 430 HG11 VAL 53 1HG1 VAL 53 7.531 -2.914 3.268 431 HG12 VAL 53 2HG1 VAL 53 5.890 -2.441 2.793 432 HG13 VAL 53 3HG1 VAL 53 6.321 -4.144 2.853 433 HG21 VAL 53 3HG2 VAL 53 7.740 -5.172 1.083 434 HG22 VAL 53 1HG2 VAL 53 8.555 -4.126 -0.113 435 HG23 VAL 53 2HG2 VAL 53 9.019 -4.054 1.601 436 H GLU 54 H GLU 54 5.961 -5.589 -0.830 437 HA GLU 54 HA GLU 54 3.294 -6.130 0.219 438 HB2 GLU 54 1HB GLU 54 3.140 -7.927 -1.183 439 HB3 GLU 54 2HB GLU 54 3.899 -6.608 -2.076 440 HG2 GLU 54 1HG GLU 54 6.095 -7.727 -1.870 441 HG3 GLU 54 2HG GLU 54 5.265 -9.129 -1.153 442 H ASP 55 H ASP 55 5.931 -6.123 1.881 443 HA ASP 55 HA ASP 55 6.058 -8.735 3.082 444 HB2 ASP 55 1HB ASP 55 7.937 -7.156 3.136 445 HB3 ASP 55 2HB ASP 55 6.988 -5.996 4.017 446 H LEU 56 H LEU 56 3.973 -6.027 3.630 447 HA LEU 56 HA LEU 56 3.385 -6.901 6.440 448 HB2 LEU 56 1HB LEU 56 3.594 -4.144 5.185 449 HB3 LEU 56 2HB LEU 56 3.114 -4.446 6.863 450 HG LEU 56 HG LEU 56 5.827 -5.150 5.688 451 HD11 LEU 56 1HD1 LEU 56 4.906 -2.901 7.512 452 HD12 LEU 56 2HD1 LEU 56 5.525 -2.762 5.850 453 HD13 LEU 56 3HD1 LEU 56 6.596 -3.307 7.149 454 HD21 LEU 56 3HD2 LEU 56 4.703 -5.368 8.518 455 HD22 LEU 56 1HD2 LEU 56 6.409 -5.488 8.132 456 HD23 LEU 56 2HD2 LEU 56 5.296 -6.694 7.504 457 H VAL 57 H VAL 57 1.775 -7.474 3.868 458 HA VAL 57 HA VAL 57 -0.728 -6.073 4.653 459 HB VAL 57 HB VAL 57 -1.326 -6.193 2.224 460 HG11 VAL 57 1HG1 VAL 57 -0.558 -4.106 3.278 461 HG12 VAL 57 2HG1 VAL 57 1.125 -4.529 2.915 462 HG13 VAL 57 3HG1 VAL 57 -0.014 -4.226 1.592 463 HG21 VAL 57 3HG2 VAL 57 1.648 -6.700 1.780 464 HG22 VAL 57 1HG2 VAL 57 0.388 -7.924 1.547 465 HG23 VAL 57 2HG2 VAL 57 0.399 -6.467 0.542 466 H GLU 58 H GLU 58 -2.783 -7.208 3.760 467 HA GLU 58 HA GLU 58 -2.386 -10.100 3.431 468 HB2 GLU 58 1HB GLU 58 -4.370 -10.770 4.456 469 HB3 GLU 58 2HB GLU 58 -3.464 -9.870 5.662 470 HG2 GLU 58 1HG GLU 58 -4.960 -8.049 5.639 471 HG3 GLU 58 2HG GLU 58 -5.656 -8.506 4.074 472 H GLU 59 H GLU 59 -3.668 -11.059 1.941 473 HA GLU 59 HA GLU 59 -4.293 -9.554 -0.316 474 HB2 GLU 59 1HB GLU 59 -3.555 -12.201 0.554 475 HB3 GLU 59 2HB GLU 59 -5.012 -12.431 -0.313 476 HG2 GLU 59 1HG GLU 59 -3.129 -10.628 -1.737 477 HG3 GLU 59 2HG GLU 59 -2.428 -12.189 -1.276 478 H VAL 60 H VAL 60 -6.015 -8.389 1.159 479 HA VAL 60 HA VAL 60 -8.490 -9.667 1.585 480 HB VAL 60 HB VAL 60 -7.571 -7.574 2.592 481 HG11 VAL 60 1HG1 VAL 60 -8.065 -5.394 1.657 482 HG12 VAL 60 2HG1 VAL 60 -7.132 -6.334 0.479 483 HG13 VAL 60 3HG1 VAL 60 -8.870 -6.128 0.251 484 HG21 VAL 60 3HG2 VAL 60 -10.479 -7.368 1.733 485 HG22 VAL 60 1HG2 VAL 60 -9.859 -8.386 3.048 486 HG23 VAL 60 2HG2 VAL 60 -9.706 -6.628 3.145 487 H GLY 61 H GLY 61 -10.500 -9.499 0.557 488 HA2 GLY 61 1HA GLY 61 -10.457 -9.418 -2.378 489 HA3 GLY 61 2HA GLY 61 -11.712 -10.056 -1.340 490 H ARG 62 H ARG 62 -10.820 -6.982 -0.303 491 HA ARG 62 HA ARG 62 -13.456 -5.984 -0.863 492 HB2 ARG 62 1HB ARG 62 -11.068 -4.926 0.731 493 HB3 ARG 62 2HB ARG 62 -12.379 -3.822 0.251 494 HG2 ARG 62 1HG ARG 62 -14.056 -5.103 1.338 495 HG3 ARG 62 2HG ARG 62 -13.006 -6.515 1.514 496 HD2 ARG 62 1HD ARG 62 -13.268 -5.440 3.657 497 HD3 ARG 62 2HD ARG 62 -11.591 -5.318 3.089 498 HE ARG 62 HE ARG 62 -12.757 -2.981 2.219 499 HH11 ARG 62 1HH1 ARG 62 -12.951 -4.450 5.484 500 HH12 ARG 62 2HH1 ARG 62 -12.940 -2.920 6.257 501 HH21 ARG 62 1HH2 ARG 62 -12.516 -1.020 3.272 502 HH22 ARG 62 2HH2 ARG 62 -12.784 -0.878 4.965 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -4.834 -2.531 -11.541 2 HA2 GLY 1 1HA GLY 1 -5.682 -5.200 -12.497 3 HA3 GLY 1 2HA GLY 1 -4.574 -5.006 -11.130 4 H ARG 2 H ARG 2 -7.517 -5.965 -11.505 5 HA ARG 2 HA ARG 2 -8.968 -4.083 -9.698 6 HB2 ARG 2 1HB ARG 2 -9.897 -6.539 -11.247 7 HB3 ARG 2 2HB ARG 2 -10.879 -5.625 -10.106 8 HG2 ARG 2 1HG ARG 2 -9.837 -3.670 -11.905 9 HG3 ARG 2 2HG ARG 2 -10.323 -5.068 -12.893 10 HD2 ARG 2 1HD ARG 2 -12.517 -5.065 -11.594 11 HD3 ARG 2 2HD ARG 2 -12.006 -3.539 -10.876 12 HE ARG 2 HE ARG 2 -12.217 -2.446 -12.926 13 HH11 ARG 2 1HH1 ARG 2 -13.086 -5.884 -13.260 14 HH12 ARG 2 2HH1 ARG 2 -14.049 -5.651 -14.683 15 HH21 ARG 2 1HH2 ARG 2 -13.403 -2.126 -14.755 16 HH22 ARG 2 2HH2 ARG 2 -14.246 -3.411 -15.575 17 H ARG 3 H ARG 3 -7.073 -4.793 -8.133 18 HA ARG 3 HA ARG 3 -8.187 -6.966 -6.515 19 HB2 ARG 3 1HB ARG 3 -6.296 -7.738 -8.078 20 HB3 ARG 3 2HB ARG 3 -5.192 -6.786 -7.106 21 HG2 ARG 3 1HG ARG 3 -7.105 -8.764 -5.835 22 HG3 ARG 3 2HG ARG 3 -5.697 -9.366 -6.668 23 HD2 ARG 3 1HD ARG 3 -4.222 -8.706 -5.035 24 HD3 ARG 3 2HD ARG 3 -5.079 -7.202 -4.716 25 HE ARG 3 HE ARG 3 -6.297 -8.191 -3.076 26 HH11 ARG 3 1HH1 ARG 3 -4.481 -10.725 -4.701 27 HH12 ARG 3 2HH1 ARG 3 -4.989 -11.979 -3.658 28 HH21 ARG 3 1HH2 ARG 3 -7.298 -9.794 -1.892 29 HH22 ARG 3 2HH2 ARG 3 -6.747 -11.428 -1.992 30 H ARG 4 H ARG 4 -7.779 -6.646 -4.261 31 HA ARG 4 HA ARG 4 -6.734 -3.970 -3.455 32 HB2 ARG 4 1HB ARG 4 -9.243 -5.327 -2.405 33 HB3 ARG 4 2HB ARG 4 -8.579 -3.753 -1.967 34 HG2 ARG 4 1HG ARG 4 -9.740 -4.413 -4.709 35 HG3 ARG 4 2HG ARG 4 -10.600 -3.648 -3.382 36 HD2 ARG 4 1HD ARG 4 -9.886 -1.642 -4.129 37 HD3 ARG 4 2HD ARG 4 -8.290 -2.117 -3.569 38 HE ARG 4 HE ARG 4 -7.756 -2.910 -5.765 39 HH11 ARG 4 1HH1 ARG 4 -10.790 -0.991 -5.760 40 HH12 ARG 4 2HH1 ARG 4 -10.278 -0.107 -7.170 41 HH21 ARG 4 1HH2 ARG 4 -7.397 -1.969 -7.883 42 HH22 ARG 4 2HH2 ARG 4 -8.515 -0.829 -8.461 43 H VAL 5 H VAL 5 -5.827 -4.017 -1.213 44 HA VAL 5 HA VAL 5 -5.900 -6.615 0.147 45 HB VAL 5 HB VAL 5 -3.440 -6.333 0.740 46 HG11 VAL 5 1HG1 VAL 5 -4.026 -7.237 -2.121 47 HG12 VAL 5 2HG1 VAL 5 -2.617 -7.665 -1.143 48 HG13 VAL 5 3HG1 VAL 5 -4.195 -8.239 -0.676 49 HG21 VAL 5 3HG2 VAL 5 -1.985 -5.061 -0.422 50 HG22 VAL 5 1HG2 VAL 5 -2.912 -5.083 -1.893 51 HG23 VAL 5 2HG2 VAL 5 -3.394 -4.011 -0.536 52 H ARG 6 H ARG 6 -5.001 -6.293 2.483 53 HA ARG 6 HA ARG 6 -5.839 -3.593 3.549 54 HB2 ARG 6 1HB ARG 6 -7.333 -5.579 4.175 55 HB3 ARG 6 2HB ARG 6 -5.946 -6.386 4.807 56 HG2 ARG 6 1HG ARG 6 -7.262 -5.502 6.609 57 HG3 ARG 6 2HG ARG 6 -5.674 -4.754 6.607 58 HD2 ARG 6 1HD ARG 6 -7.411 -3.110 7.128 59 HD3 ARG 6 2HD ARG 6 -6.640 -2.722 5.584 60 HE ARG 6 HE ARG 6 -8.767 -4.235 4.819 61 HH11 ARG 6 1HH1 ARG 6 -8.366 -1.151 6.509 62 HH12 ARG 6 2HH1 ARG 6 -9.765 -0.437 5.794 63 HH21 ARG 6 1HH2 ARG 6 -10.629 -3.381 4.026 64 HH22 ARG 6 2HH2 ARG 6 -11.292 -1.851 4.587 65 H ALA 7 H ALA 7 -4.131 -2.646 4.971 66 HA ALA 7 HA ALA 7 -1.650 -4.133 5.088 67 HB1 ALA 7 1HB ALA 7 -2.241 -1.652 4.475 68 HB2 ALA 7 2HB ALA 7 -2.239 -1.417 6.217 69 HB3 ALA 7 3HB ALA 7 -0.776 -2.078 5.384 70 H ILE 8 H ILE 8 -0.746 -4.884 6.963 71 HA ILE 8 HA ILE 8 -2.459 -4.814 9.398 72 HB ILE 8 HB ILE 8 -1.891 -7.037 9.912 73 HG12 ILE 8 1HG1 ILE 8 0.395 -7.055 8.728 74 HG13 ILE 8 2HG1 ILE 8 -0.562 -8.527 8.817 75 HG21 ILE 8 1HG2 ILE 8 -3.000 -6.809 7.102 76 HG22 ILE 8 2HG2 ILE 8 -3.181 -8.195 8.189 77 HG23 ILE 8 3HG2 ILE 8 -3.894 -6.624 8.619 78 HD11 ILE 8 3HD1 ILE 8 -1.126 -8.467 6.529 79 HD12 ILE 8 1HD1 ILE 8 -0.609 -6.786 6.350 80 HD13 ILE 8 2HD1 ILE 8 0.592 -8.064 6.609 81 H LEU 9 H LEU 9 0.138 -3.271 8.509 82 HA LEU 9 HA LEU 9 1.318 -3.201 11.229 83 HB2 LEU 9 1HB LEU 9 2.692 -4.324 8.791 84 HB3 LEU 9 2HB LEU 9 3.643 -3.241 9.766 85 HG LEU 9 HG LEU 9 2.231 -5.428 11.278 86 HD11 LEU 9 1HD1 LEU 9 3.920 -7.102 10.720 87 HD12 LEU 9 2HD1 LEU 9 4.601 -6.023 9.473 88 HD13 LEU 9 3HD1 LEU 9 2.946 -6.664 9.321 89 HD21 LEU 9 3HD2 LEU 9 3.644 -3.899 12.488 90 HD22 LEU 9 1HD2 LEU 9 5.018 -4.248 11.407 91 HD23 LEU 9 2HD2 LEU 9 4.367 -5.511 12.484 92 HA PRO 10 HA PRO 10 1.869 1.008 9.582 93 HB2 PRO 10 1HB PRO 10 3.234 2.194 11.589 94 HB3 PRO 10 2HB PRO 10 1.600 1.534 11.866 95 HG2 PRO 10 1HG PRO 10 4.263 0.263 12.556 96 HG3 PRO 10 2HG PRO 10 2.768 0.346 13.548 97 HD2 PRO 10 1HD PRO 10 3.531 -1.802 11.956 98 HD3 PRO 10 2HD PRO 10 1.867 -1.489 12.530 99 H TYR 11 H TYR 11 3.700 2.563 8.817 100 HA TYR 11 HA TYR 11 6.430 1.546 8.721 101 HB2 TYR 11 1HB TYR 11 5.320 0.241 6.958 102 HB3 TYR 11 2HB TYR 11 4.727 1.712 6.247 103 HD1 TYR 11 2HD TYR 11 6.506 3.362 5.176 104 HD2 TYR 11 1HD TYR 11 7.450 -0.672 6.380 105 HE1 TYR 11 2HE TYR 11 8.278 3.258 3.453 106 HE2 TYR 11 1HE TYR 11 9.216 -0.756 4.657 107 HH TYR 11 HH TYR 11 9.870 1.780 2.302 108 H THR 12 H THR 12 7.828 3.248 8.377 109 HA THR 12 HA THR 12 6.699 5.925 7.747 110 HB THR 12 HB THR 12 9.363 5.182 9.019 111 HG1 THR 12 1HG THR 12 8.182 4.917 10.667 112 HG21 THR 12 3HG2 THR 12 9.251 7.671 9.628 113 HG22 THR 12 1HG2 THR 12 7.950 7.828 8.437 114 HG23 THR 12 2HG2 THR 12 9.551 7.293 7.921 115 H LYS 13 H LYS 13 6.951 6.588 5.731 116 HA LYS 13 HA LYS 13 8.858 5.391 3.850 117 HB2 LYS 13 1HB LYS 13 7.735 6.582 2.266 118 HB3 LYS 13 2HB LYS 13 6.501 6.044 3.347 119 HG2 LYS 13 1HG LYS 13 5.762 8.173 3.514 120 HG3 LYS 13 2HG LYS 13 7.246 8.661 4.260 121 HD2 LYS 13 1HD LYS 13 7.978 8.578 1.577 122 HD3 LYS 13 2HD LYS 13 6.262 8.942 1.462 123 HE2 LYS 13 1HE LYS 13 7.314 10.612 3.533 124 HE3 LYS 13 2HE LYS 13 8.481 10.608 2.171 125 HZ1 LYS 13 3HZ LYS 13 6.704 11.162 0.695 126 HZ2 LYS 13 1HZ LYS 13 6.805 12.322 1.817 127 HZ3 LYS 13 2HZ LYS 13 5.600 11.243 1.946 128 H VAL 14 H VAL 14 10.402 6.707 2.602 129 HA VAL 14 HA VAL 14 11.839 8.676 4.240 130 HB VAL 14 HB VAL 14 12.418 7.310 1.556 131 HG11 VAL 14 1HG1 VAL 14 14.154 9.131 3.274 132 HG12 VAL 14 2HG1 VAL 14 14.783 8.063 2.000 133 HG13 VAL 14 3HG1 VAL 14 13.678 9.356 1.570 134 HG21 VAL 14 3HG2 VAL 14 12.442 5.752 3.505 135 HG22 VAL 14 1HG2 VAL 14 14.035 5.969 2.807 136 HG23 VAL 14 2HG2 VAL 14 13.628 6.819 4.305 137 HA PRO 15 HA PRO 15 9.827 11.917 1.805 138 HB2 PRO 15 1HB PRO 15 11.652 13.953 2.541 139 HB3 PRO 15 2HB PRO 15 10.070 13.566 3.271 140 HG2 PRO 15 1HG PRO 15 12.797 12.999 4.278 141 HG3 PRO 15 2HG PRO 15 11.262 13.023 5.182 142 HD2 PRO 15 1HD PRO 15 12.652 10.718 4.443 143 HD3 PRO 15 2HD PRO 15 10.947 10.804 4.957 144 H ASP 16 H ASP 16 10.277 13.236 -0.032 145 HA ASP 16 HA ASP 16 11.136 13.818 -1.938 146 HB2 ASP 16 1HB ASP 16 13.162 14.516 -0.514 147 HB3 ASP 16 2HB ASP 16 13.979 13.126 -1.236 148 H THR 17 H THR 17 10.122 11.173 -1.408 149 HA THR 17 HA THR 17 11.242 9.788 -3.790 150 HB THR 17 HB THR 17 11.070 7.642 -2.695 151 HG1 THR 17 1HG THR 17 10.577 8.465 -0.163 152 HG21 THR 17 3HG2 THR 17 12.760 7.704 -0.972 153 HG22 THR 17 1HG2 THR 17 12.553 9.450 -0.744 154 HG23 THR 17 2HG2 THR 17 13.212 8.824 -2.266 155 H ASP 18 H ASP 18 9.669 7.878 -4.235 156 HA ASP 18 HA ASP 18 6.974 8.904 -4.764 157 HB2 ASP 18 1HB ASP 18 8.391 6.364 -5.681 158 HB3 ASP 18 2HB ASP 18 6.811 6.926 -6.195 159 H GLU 19 H GLU 19 8.200 7.644 -2.014 160 HA GLU 19 HA GLU 19 6.484 5.268 -1.694 161 HB2 GLU 19 1HB GLU 19 8.332 6.845 0.149 162 HB3 GLU 19 2HB GLU 19 7.548 5.323 0.586 163 HG2 GLU 19 1HG GLU 19 8.859 4.075 -0.876 164 HG3 GLU 19 2HG GLU 19 9.457 5.487 -1.771 165 H ILE 20 H ILE 20 5.220 5.361 0.614 166 HA ILE 20 HA ILE 20 4.022 7.959 1.365 167 HB ILE 20 HB ILE 20 1.751 6.755 1.220 168 HG12 ILE 20 1HG1 ILE 20 3.193 5.017 -0.856 169 HG13 ILE 20 2HG1 ILE 20 2.643 4.466 0.725 170 HG21 ILE 20 1HG2 ILE 20 1.374 7.583 -1.061 171 HG22 ILE 20 2HG2 ILE 20 2.435 8.679 -0.164 172 HG23 ILE 20 3HG2 ILE 20 3.111 7.588 -1.376 173 HD11 ILE 20 3HD1 ILE 20 0.878 5.398 -1.550 174 HD12 ILE 20 1HD1 ILE 20 1.096 3.747 -0.946 175 HD13 ILE 20 2HD1 ILE 20 0.313 4.959 0.086 176 H SER 21 H SER 21 3.348 7.810 3.783 177 HA SER 21 HA SER 21 3.982 5.211 4.964 178 HB2 SER 21 1HB SER 21 4.000 6.499 6.971 179 HB3 SER 21 2HB SER 21 5.242 6.999 5.880 180 HG SER 21 HG SER 21 4.085 8.958 5.562 181 H PHE 22 H PHE 22 2.640 4.840 6.920 182 HA PHE 22 HA PHE 22 -0.152 5.624 6.901 183 HB2 PHE 22 1HB PHE 22 -1.254 3.798 5.897 184 HB3 PHE 22 2HB PHE 22 -0.008 4.272 4.773 185 HD1 PHE 22 1HD PHE 22 2.241 3.045 4.896 186 HD2 PHE 22 2HD PHE 22 -1.391 1.534 6.527 187 HE1 PHE 22 1HE PHE 22 3.232 0.729 4.958 188 HE2 PHE 22 2HE PHE 22 -0.327 -0.648 6.896 189 HZ PHE 22 HZ PHE 22 1.900 -1.137 5.894 190 H LEU 23 H LEU 23 -1.435 3.343 7.895 191 HA LEU 23 HA LEU 23 -0.010 2.755 10.441 192 HB2 LEU 23 1HB LEU 23 -2.866 3.702 9.991 193 HB3 LEU 23 2HB LEU 23 -2.286 3.075 11.523 194 HG LEU 23 HG LEU 23 -0.744 5.367 10.326 195 HD11 LEU 23 1HD1 LEU 23 -3.020 6.064 9.889 196 HD12 LEU 23 2HD1 LEU 23 -2.309 7.018 11.199 197 HD13 LEU 23 3HD1 LEU 23 -3.495 5.728 11.545 198 HD21 LEU 23 3HD2 LEU 23 -1.576 4.662 13.175 199 HD22 LEU 23 1HD2 LEU 23 -0.522 6.004 12.707 200 HD23 LEU 23 2HD2 LEU 23 0.007 4.344 12.430 201 H LYS 24 H LYS 24 -0.731 0.737 11.400 202 HA LYS 24 HA LYS 24 -1.656 -1.371 9.715 203 HB2 LYS 24 1HB LYS 24 -0.549 -1.793 11.827 204 HB3 LYS 24 2HB LYS 24 -1.810 -0.957 12.733 205 HG2 LYS 24 1HG LYS 24 -3.423 -2.712 12.285 206 HG3 LYS 24 2HG LYS 24 -2.341 -3.468 11.117 207 HD2 LYS 24 1HD LYS 24 -0.665 -3.735 13.056 208 HD3 LYS 24 2HD LYS 24 -1.990 -3.317 14.140 209 HE2 LYS 24 1HE LYS 24 -2.096 -5.608 12.106 210 HE3 LYS 24 2HE LYS 24 -1.444 -5.796 13.734 211 HZ1 LYS 24 3HZ LYS 24 -3.697 -6.492 13.655 212 HZ2 LYS 24 1HZ LYS 24 -4.237 -5.028 13.127 213 HZ3 LYS 24 2HZ LYS 24 -3.552 -5.191 14.630 214 H GLY 25 H GLY 25 -3.667 -1.834 8.880 215 HA2 GLY 25 1HA GLY 25 -5.994 -2.128 9.215 216 HA3 GLY 25 2HA GLY 25 -6.060 -0.618 10.127 217 H ASP 26 H ASP 26 -4.112 0.391 7.715 218 HA ASP 26 HA ASP 26 -6.293 1.603 6.262 219 HB2 ASP 26 1HB ASP 26 -3.526 2.057 6.604 220 HB3 ASP 26 2HB ASP 26 -3.725 1.739 4.888 221 H MET 27 H MET 27 -6.524 1.406 3.818 222 HA MET 27 HA MET 27 -6.131 -1.419 2.874 223 HB2 MET 27 1HB MET 27 -8.450 -0.949 3.390 224 HB3 MET 27 2HB MET 27 -8.427 0.455 2.343 225 HG2 MET 27 1HG MET 27 -8.030 -0.976 0.397 226 HG3 MET 27 2HG MET 27 -7.816 -2.363 1.464 227 HE1 MET 27 3HE MET 27 -8.899 -3.685 0.166 228 HE2 MET 27 1HE MET 27 -10.479 -4.222 0.739 229 HE3 MET 27 2HE MET 27 -10.391 -3.327 -0.766 230 H PHE 28 H PHE 28 -5.546 -1.633 0.721 231 HA PHE 28 HA PHE 28 -4.661 0.831 -0.685 232 HB2 PHE 28 1HB PHE 28 -3.174 -1.802 -0.372 233 HB3 PHE 28 2HB PHE 28 -2.738 -0.536 -1.512 234 HD1 PHE 28 2HD PHE 28 -2.153 1.773 -0.676 235 HD2 PHE 28 1HD PHE 28 -2.324 -1.697 1.889 236 HE1 PHE 28 2HE PHE 28 -0.616 2.863 0.918 237 HE2 PHE 28 1HE PHE 28 -0.838 -0.536 3.510 238 HZ PHE 28 HZ PHE 28 -0.044 1.759 3.043 239 H ILE 29 H ILE 29 -4.450 0.546 -2.947 240 HA ILE 29 HA ILE 29 -6.247 -1.495 -4.158 241 HB ILE 29 HB ILE 29 -7.142 0.249 -5.550 242 HG12 ILE 29 1HG1 ILE 29 -5.403 2.294 -4.072 243 HG13 ILE 29 2HG1 ILE 29 -5.143 1.773 -5.738 244 HG21 ILE 29 1HG2 ILE 29 -7.971 -0.105 -3.088 245 HG22 ILE 29 2HG2 ILE 29 -7.200 1.440 -2.759 246 HG23 ILE 29 3HG2 ILE 29 -8.515 1.335 -3.950 247 HD11 ILE 29 3HD1 ILE 29 -7.457 3.377 -4.663 248 HD12 ILE 29 1HD1 ILE 29 -6.307 3.796 -5.944 249 HD13 ILE 29 2HD1 ILE 29 -7.527 2.548 -6.232 250 H VAL 30 H VAL 30 -5.311 -2.706 -5.827 251 HA VAL 30 HA VAL 30 -2.575 -2.246 -6.472 252 HB VAL 30 HB VAL 30 -4.708 -4.058 -7.728 253 HG11 VAL 30 1HG1 VAL 30 -1.755 -3.892 -8.379 254 HG12 VAL 30 2HG1 VAL 30 -2.713 -5.353 -8.660 255 HG13 VAL 30 3HG1 VAL 30 -3.138 -3.853 -9.470 256 HG21 VAL 30 3HG2 VAL 30 -2.696 -4.479 -5.515 257 HG22 VAL 30 1HG2 VAL 30 -4.384 -4.941 -5.562 258 HG23 VAL 30 2HG2 VAL 30 -3.232 -5.837 -6.502 259 H HIS 31 H HIS 31 -1.997 -0.346 -7.572 260 HA HIS 31 HA HIS 31 -3.673 0.455 -9.879 261 HB2 HIS 31 1HB HIS 31 -1.955 1.867 -7.927 262 HB3 HIS 31 2HB HIS 31 -1.671 2.335 -9.581 263 HD1 HIS 31 1HD HIS 31 -4.792 2.239 -10.609 264 HD2 HIS 31 2HD HIS 31 -3.083 4.137 -7.265 265 HE1 HIS 31 1HE HIS 31 -6.319 4.167 -10.047 266 H ASN 32 H ASN 32 -0.401 -0.732 -9.002 267 HA ASN 32 HA ASN 32 -0.136 -1.689 -11.707 268 HB2 ASN 32 1HB ASN 32 0.968 0.629 -11.743 269 HB3 ASN 32 2HB ASN 32 2.166 -0.019 -10.610 270 HD21 ASN 32 1HD2 ASN 32 3.844 0.423 -12.286 271 HD22 ASN 32 2HD2 ASN 32 4.016 -0.684 -13.605 272 H GLU 33 H GLU 33 2.125 -2.906 -11.733 273 HA GLU 33 HA GLU 33 2.604 -4.410 -9.248 274 HB2 GLU 33 1HB GLU 33 1.587 -5.478 -11.927 275 HB3 GLU 33 2HB GLU 33 2.446 -6.482 -10.741 276 HG2 GLU 33 1HG GLU 33 0.738 -6.117 -9.072 277 HG3 GLU 33 2HG GLU 33 -0.077 -4.919 -10.058 278 H LEU 34 H LEU 34 4.735 -4.515 -9.077 279 HA LEU 34 HA LEU 34 6.531 -4.156 -11.463 280 HB2 LEU 34 1HB LEU 34 7.157 -3.487 -8.575 281 HB3 LEU 34 2HB LEU 34 8.160 -3.158 -9.956 282 HG LEU 34 HG LEU 34 5.424 -1.953 -10.177 283 HD11 LEU 34 1HD1 LEU 34 5.847 -1.666 -7.760 284 HD12 LEU 34 2HD1 LEU 34 5.785 -0.148 -8.646 285 HD13 LEU 34 3HD1 LEU 34 7.349 -0.833 -8.115 286 HD21 LEU 34 3HD2 LEU 34 7.432 -1.618 -11.694 287 HD22 LEU 34 1HD2 LEU 34 8.117 -0.624 -10.400 288 HD23 LEU 34 2HD2 LEU 34 6.561 -0.169 -11.138 289 H GLU 35 H GLU 35 8.976 -5.063 -10.276 290 HA GLU 35 HA GLU 35 8.418 -7.977 -9.905 291 HB2 GLU 35 1HB GLU 35 10.384 -6.474 -11.658 292 HB3 GLU 35 2HB GLU 35 10.409 -8.203 -11.405 293 HG2 GLU 35 1HG GLU 35 8.493 -8.606 -12.675 294 HG3 GLU 35 2HG GLU 35 7.845 -6.988 -12.381 295 H ASP 36 H ASP 36 8.921 -6.666 -7.637 296 HA ASP 36 HA ASP 36 11.766 -7.011 -6.879 297 HB2 ASP 36 1HB ASP 36 10.603 -4.602 -7.913 298 HB3 ASP 36 2HB ASP 36 10.968 -4.292 -6.232 299 H GLY 37 H GLY 37 8.585 -7.424 -5.963 300 HA2 GLY 37 1HA GLY 37 7.599 -7.848 -3.913 301 HA3 GLY 37 2HA GLY 37 9.024 -7.251 -3.057 302 H TRP 38 H TRP 38 8.090 -5.104 -5.488 303 HA TRP 38 HA TRP 38 6.796 -3.255 -3.556 304 HB2 TRP 38 1HB TRP 38 8.806 -2.852 -5.780 305 HB3 TRP 38 2HB TRP 38 7.820 -1.502 -5.188 306 HD1 TRP 38 HD TRP 38 10.960 -3.474 -4.314 307 HE1 TRP 38 1HE TRP 38 11.823 -2.749 -2.053 308 HE3 TRP 38 3HE TRP 38 7.122 -0.404 -2.898 309 HZ2 TRP 38 2HZ TRP 38 10.753 -1.437 0.372 310 HZ3 TRP 38 3HZ TRP 38 6.988 0.474 -0.572 311 HH2 TRP 38 HH TRP 38 8.714 -0.151 1.086 312 H MET 39 H MET 39 5.034 -1.918 -4.344 313 HA MET 39 HA MET 39 3.991 -2.504 -7.071 314 HB2 MET 39 1HB MET 39 2.378 -2.974 -4.543 315 HB3 MET 39 2HB MET 39 1.835 -3.101 -6.216 316 HG2 MET 39 1HG MET 39 3.237 -5.021 -6.624 317 HG3 MET 39 2HG MET 39 4.008 -4.874 -5.048 318 HE1 MET 39 3HE MET 39 1.568 -6.147 -2.456 319 HE2 MET 39 1HE MET 39 3.238 -5.655 -2.857 320 HE3 MET 39 2HE MET 39 1.929 -4.461 -2.868 321 H TRP 40 H TRP 40 2.696 -0.836 -7.880 322 HA TRP 40 HA TRP 40 2.654 1.671 -6.274 323 HB2 TRP 40 1HB TRP 40 3.160 1.673 -8.785 324 HB3 TRP 40 2HB TRP 40 1.435 1.371 -9.032 325 HD1 TRP 40 HD TRP 40 -0.269 3.409 -8.216 326 HE1 TRP 40 1HE TRP 40 0.115 5.931 -7.816 327 HE3 TRP 40 3HE TRP 40 4.807 3.355 -8.048 328 HZ2 TRP 40 2HZ TRP 40 2.398 7.680 -7.424 329 HZ3 TRP 40 3HZ TRP 40 6.067 5.431 -7.614 330 HH2 TRP 40 HH TRP 40 4.878 7.582 -7.284 331 H VAL 41 H VAL 41 0.865 2.575 -5.359 332 HA VAL 41 HA VAL 41 -1.790 1.363 -5.801 333 HB VAL 41 HB VAL 41 -2.059 0.811 -3.474 334 HG11 VAL 41 1HG1 VAL 41 -1.024 -0.970 -4.794 335 HG12 VAL 41 2HG1 VAL 41 0.596 -0.345 -4.385 336 HG13 VAL 41 3HG1 VAL 41 -0.432 -0.946 -3.118 337 HG21 VAL 41 3HG2 VAL 41 -0.159 1.007 -1.874 338 HG22 VAL 41 1HG2 VAL 41 0.772 1.885 -3.106 339 HG23 VAL 41 2HG2 VAL 41 -0.687 2.597 -2.415 340 H THR 42 H THR 42 -3.139 2.534 -3.655 341 HA THR 42 HA THR 42 -2.202 5.194 -3.204 342 HB THR 42 HB THR 42 -5.042 4.756 -4.226 343 HG1 THR 42 1HG THR 42 -2.657 5.490 -5.374 344 HG21 THR 42 3HG2 THR 42 -5.098 6.539 -2.607 345 HG22 THR 42 1HG2 THR 42 -5.119 7.267 -4.213 346 HG23 THR 42 2HG2 THR 42 -3.618 7.268 -3.268 347 H ASN 43 H ASN 43 -2.939 5.931 -1.230 348 HA ASN 43 HA ASN 43 -3.730 3.822 0.654 349 HB2 ASN 43 1HB ASN 43 -1.683 5.698 0.608 350 HB3 ASN 43 2HB ASN 43 -2.828 6.535 1.608 351 HD21 ASN 43 1HD2 ASN 43 -3.949 4.274 3.225 352 HD22 ASN 43 2HD2 ASN 43 -2.524 3.756 4.065 353 H LEU 44 H LEU 44 -5.922 3.791 0.981 354 HA LEU 44 HA LEU 44 -7.623 5.941 0.244 355 HB2 LEU 44 1HB LEU 44 -8.293 3.509 1.937 356 HB3 LEU 44 2HB LEU 44 -9.435 4.533 1.061 357 HG LEU 44 HG LEU 44 -7.352 2.661 -0.133 358 HD11 LEU 44 1HD1 LEU 44 -9.489 1.682 0.724 359 HD12 LEU 44 2HD1 LEU 44 -9.257 1.486 -1.029 360 HD13 LEU 44 3HD1 LEU 44 -10.368 2.725 -0.409 361 HD21 LEU 44 3HD2 LEU 44 -7.326 4.569 -1.597 362 HD22 LEU 44 1HD2 LEU 44 -9.096 4.717 -1.541 363 HD23 LEU 44 2HD2 LEU 44 -8.325 3.347 -2.368 364 H ARG 45 H ARG 45 -5.794 5.975 2.974 365 HA ARG 45 HA ARG 45 -7.655 7.244 4.821 366 HB2 ARG 45 1HB ARG 45 -5.605 7.846 6.033 367 HB3 ARG 45 2HB ARG 45 -5.670 6.166 5.592 368 HG2 ARG 45 1HG ARG 45 -3.735 6.237 4.464 369 HG3 ARG 45 2HG ARG 45 -4.209 7.620 3.535 370 HD2 ARG 45 1HD ARG 45 -2.237 8.185 4.740 371 HD3 ARG 45 2HD ARG 45 -3.581 9.103 5.448 372 HE ARG 45 HE ARG 45 -3.048 6.569 6.758 373 HH11 ARG 45 1HH1 ARG 45 -1.790 9.957 6.391 374 HH12 ARG 45 2HH1 ARG 45 -1.049 9.956 7.936 375 HH21 ARG 45 1HH2 ARG 45 -1.637 6.615 8.720 376 HH22 ARG 45 2HH2 ARG 45 -0.719 8.047 9.065 377 H THR 46 H THR 46 -5.755 8.309 2.068 378 HA THR 46 HA THR 46 -6.690 11.053 2.330 379 HB THR 46 HB THR 46 -4.988 10.681 4.235 380 HG1 THR 46 1HG THR 46 -4.809 12.789 2.393 381 HG21 THR 46 3HG2 THR 46 -2.698 11.003 3.754 382 HG22 THR 46 1HG2 THR 46 -3.051 11.147 2.025 383 HG23 THR 46 2HG2 THR 46 -3.231 9.580 2.827 384 H ASP 47 H ASP 47 -6.180 8.918 0.094 385 HA ASP 47 HA ASP 47 -5.499 8.822 -2.018 386 HB2 ASP 47 1HB ASP 47 -6.973 10.951 -1.974 387 HB3 ASP 47 2HB ASP 47 -5.477 11.816 -2.292 388 H GLU 48 H GLU 48 -3.494 8.747 -0.059 389 HA GLU 48 HA GLU 48 -1.132 10.053 -1.210 390 HB2 GLU 48 1HB GLU 48 -1.699 8.468 1.240 391 HB3 GLU 48 2HB GLU 48 -0.126 8.152 0.503 392 HG2 GLU 48 1HG GLU 48 0.291 10.597 0.374 393 HG3 GLU 48 2HG GLU 48 -1.244 10.891 1.184 394 H GLN 49 H GLN 49 -0.846 9.478 -3.237 395 HA GLN 49 HA GLN 49 -0.894 6.701 -4.198 396 HB2 GLN 49 1HB GLN 49 -0.210 9.438 -5.349 397 HB3 GLN 49 2HB GLN 49 0.045 7.951 -6.280 398 HG2 GLN 49 1HG GLN 49 -2.198 7.439 -6.424 399 HG3 GLN 49 2HG GLN 49 -2.640 8.372 -4.987 400 HE21 GLN 49 1HE2 GLN 49 -4.253 9.029 -6.219 401 HE22 GLN 49 2HE2 GLN 49 -4.188 10.529 -7.040 402 H GLY 50 H GLY 50 0.959 5.410 -4.565 403 HA2 GLY 50 1HA GLY 50 3.532 6.302 -4.899 404 HA3 GLY 50 2HA GLY 50 3.324 6.221 -3.142 405 H LEU 51 H LEU 51 5.074 4.764 -3.557 406 HA LEU 51 HA LEU 51 4.486 2.017 -4.407 407 HB2 LEU 51 1HB LEU 51 6.964 3.520 -3.435 408 HB3 LEU 51 2HB LEU 51 6.986 1.771 -3.585 409 HG LEU 51 HG LEU 51 6.339 3.702 -5.860 410 HD11 LEU 51 1HD1 LEU 51 8.498 2.971 -6.779 411 HD12 LEU 51 2HD1 LEU 51 8.817 2.032 -5.299 412 HD13 LEU 51 3HD1 LEU 51 8.696 3.800 -5.219 413 HD21 LEU 51 3HD2 LEU 51 5.178 1.633 -6.277 414 HD22 LEU 51 1HD2 LEU 51 6.580 0.673 -5.752 415 HD23 LEU 51 2HD2 LEU 51 6.635 1.630 -7.255 416 H ILE 52 H ILE 52 4.273 0.186 -3.145 417 HA ILE 52 HA ILE 52 4.846 0.349 -0.261 418 HB ILE 52 HB ILE 52 2.890 -0.844 0.316 419 HG12 ILE 52 1HG1 ILE 52 1.718 -0.686 -2.427 420 HG13 ILE 52 2HG1 ILE 52 2.722 -2.080 -2.049 421 HG21 ILE 52 1HG2 ILE 52 2.846 1.686 0.032 422 HG22 ILE 52 2HG2 ILE 52 2.097 1.437 -1.512 423 HG23 ILE 52 3HG2 ILE 52 1.250 0.928 -0.023 424 HD11 ILE 52 3HD1 ILE 52 1.368 -2.662 -0.108 425 HD12 ILE 52 1HD1 ILE 52 0.249 -1.320 -0.476 426 HD13 ILE 52 2HD1 ILE 52 0.454 -2.672 -1.614 427 H VAL 53 H VAL 53 5.166 -1.809 0.725 428 HA VAL 53 HA VAL 53 6.127 -3.847 -1.177 429 HB VAL 53 HB VAL 53 6.654 -4.869 1.283 430 HG11 VAL 53 1HG1 VAL 53 8.573 -4.947 0.213 431 HG12 VAL 53 2HG1 VAL 53 8.169 -3.670 -0.692 432 HG13 VAL 53 3HG1 VAL 53 9.039 -3.467 0.990 433 HG21 VAL 53 3HG2 VAL 53 5.706 -3.002 2.409 434 HG22 VAL 53 1HG2 VAL 53 7.413 -3.385 2.902 435 HG23 VAL 53 2HG2 VAL 53 7.076 -1.995 1.872 436 H GLU 54 H GLU 54 5.402 -5.874 -1.137 437 HA GLU 54 HA GLU 54 2.755 -6.509 -0.323 438 HB2 GLU 54 1HB GLU 54 3.238 -8.726 -0.881 439 HB3 GLU 54 2HB GLU 54 3.903 -7.685 -2.085 440 HG2 GLU 54 1HG GLU 54 6.057 -8.330 -1.711 441 HG3 GLU 54 2HG GLU 54 5.915 -8.324 0.031 442 H ASP 55 H ASP 55 5.776 -6.499 1.365 443 HA ASP 55 HA ASP 55 5.619 -8.530 3.087 444 HB2 ASP 55 1HB ASP 55 7.593 -7.323 2.777 445 HB3 ASP 55 2HB ASP 55 6.952 -5.882 3.554 446 H LEU 56 H LEU 56 3.641 -5.833 3.203 447 HA LEU 56 HA LEU 56 3.172 -5.837 6.161 448 HB2 LEU 56 1HB LEU 56 3.290 -3.505 4.233 449 HB3 LEU 56 2HB LEU 56 3.018 -3.419 5.973 450 HG LEU 56 HG LEU 56 5.599 -4.383 4.546 451 HD11 LEU 56 1HD1 LEU 56 4.821 -1.827 4.843 452 HD12 LEU 56 2HD1 LEU 56 6.481 -2.416 4.735 453 HD13 LEU 56 3HD1 LEU 56 5.759 -2.029 6.311 454 HD21 LEU 56 3HD2 LEU 56 6.624 -4.375 6.800 455 HD22 LEU 56 1HD2 LEU 56 5.317 -5.559 6.734 456 HD23 LEU 56 2HD2 LEU 56 5.046 -3.997 7.545 457 H VAL 57 H VAL 57 1.682 -6.836 3.472 458 HA VAL 57 HA VAL 57 -0.967 -5.812 4.288 459 HB VAL 57 HB VAL 57 -1.626 -5.719 1.926 460 HG11 VAL 57 1HG1 VAL 57 0.810 -3.947 2.409 461 HG12 VAL 57 2HG1 VAL 57 -0.538 -3.634 1.315 462 HG13 VAL 57 3HG1 VAL 57 -0.807 -3.641 3.065 463 HG21 VAL 57 3HG2 VAL 57 0.099 -7.304 1.013 464 HG22 VAL 57 1HG2 VAL 57 0.061 -5.777 0.120 465 HG23 VAL 57 2HG2 VAL 57 1.333 -6.063 1.305 466 H GLU 58 H GLU 58 -2.742 -7.225 3.679 467 HA GLU 58 HA GLU 58 -1.954 -10.078 3.452 468 HB2 GLU 58 1HB GLU 58 -3.880 -10.695 4.732 469 HB3 GLU 58 2HB GLU 58 -2.854 -9.696 5.739 470 HG2 GLU 58 1HG GLU 58 -4.342 -7.845 5.645 471 HG3 GLU 58 2HG GLU 58 -5.175 -8.442 4.227 472 H GLU 59 H GLU 59 -3.395 -11.352 2.262 473 HA GLU 59 HA GLU 59 -4.816 -9.840 0.231 474 HB2 GLU 59 1HB GLU 59 -4.646 -11.476 -1.194 475 HB3 GLU 59 2HB GLU 59 -3.270 -11.807 -0.191 476 HG2 GLU 59 1HG GLU 59 -3.968 -13.836 -0.079 477 HG3 GLU 59 2HG GLU 59 -5.200 -13.293 1.041 478 H VAL 60 H VAL 60 -6.727 -9.120 0.537 479 HA VAL 60 HA VAL 60 -8.813 -10.839 1.694 480 HB VAL 60 HB VAL 60 -8.069 -9.196 3.387 481 HG11 VAL 60 1HG1 VAL 60 -7.107 -7.441 2.108 482 HG12 VAL 60 2HG1 VAL 60 -8.642 -7.094 1.262 483 HG13 VAL 60 3HG1 VAL 60 -8.499 -6.797 3.001 484 HG21 VAL 60 3HG2 VAL 60 -10.511 -9.740 3.283 485 HG22 VAL 60 1HG2 VAL 60 -10.150 -8.142 3.959 486 HG23 VAL 60 2HG2 VAL 60 -10.754 -8.261 2.310 487 H GLY 61 H GLY 61 -10.972 -10.095 0.760 488 HA2 GLY 61 1HA GLY 61 -10.755 -8.764 -1.886 489 HA3 GLY 61 2HA GLY 61 -12.215 -9.449 -1.143 490 H ARG 62 H ARG 62 -13.407 -8.251 0.261 491 HA ARG 62 HA ARG 62 -14.623 -6.569 0.718 492 HB2 ARG 62 1HB ARG 62 -12.057 -5.604 1.559 493 HB3 ARG 62 2HB ARG 62 -12.781 -4.364 0.602 494 HG2 ARG 62 1HG ARG 62 -14.053 -3.752 2.308 495 HG3 ARG 62 2HG ARG 62 -14.844 -5.306 2.367 496 HD2 ARG 62 1HD ARG 62 -12.148 -5.311 3.659 497 HD3 ARG 62 2HD ARG 62 -13.254 -4.136 4.353 498 HE ARG 62 HE ARG 62 -13.251 -6.925 4.827 499 HH11 ARG 62 1HH1 ARG 62 -15.551 -4.253 4.375 500 HH12 ARG 62 2HH1 ARG 62 -16.844 -5.017 5.192 501 HH21 ARG 62 1HH2 ARG 62 -14.911 -7.893 6.129 502 HH22 ARG 62 2HH2 ARG 62 -16.474 -7.208 6.213 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -3.029 -6.276 -11.991 2 HA2 GLY 1 1HA GLY 1 -5.307 -6.340 -13.883 3 HA3 GLY 1 2HA GLY 1 -5.137 -7.355 -12.427 4 H ARG 2 H ARG 2 -6.784 -6.627 -11.042 5 HA ARG 2 HA ARG 2 -6.635 -3.833 -10.118 6 HB2 ARG 2 1HB ARG 2 -9.201 -5.140 -11.146 7 HB3 ARG 2 2HB ARG 2 -9.163 -3.756 -10.050 8 HG2 ARG 2 1HG ARG 2 -7.912 -2.431 -11.752 9 HG3 ARG 2 2HG ARG 2 -7.971 -3.823 -12.847 10 HD2 ARG 2 1HD ARG 2 -9.707 -2.297 -13.493 11 HD3 ARG 2 2HD ARG 2 -10.457 -3.745 -12.799 12 HE ARG 2 HE ARG 2 -10.021 -1.613 -10.856 13 HH11 ARG 2 1HH1 ARG 2 -12.081 -2.359 -13.598 14 HH12 ARG 2 2HH1 ARG 2 -13.516 -1.627 -12.951 15 HH21 ARG 2 1HH2 ARG 2 -11.902 -0.632 -9.929 16 HH22 ARG 2 2HH2 ARG 2 -13.295 -0.392 -10.925 17 H ARG 3 H ARG 3 -5.983 -4.376 -8.017 18 HA ARG 3 HA ARG 3 -7.530 -6.446 -6.657 19 HB2 ARG 3 1HB ARG 3 -4.927 -6.868 -7.559 20 HB3 ARG 3 2HB ARG 3 -4.635 -6.140 -5.996 21 HG2 ARG 3 1HG ARG 3 -4.695 -8.536 -5.772 22 HG3 ARG 3 2HG ARG 3 -6.083 -7.854 -4.908 23 HD2 ARG 3 1HD ARG 3 -6.529 -8.365 -7.775 24 HD3 ARG 3 2HD ARG 3 -6.157 -9.836 -6.891 25 HE ARG 3 HE ARG 3 -8.116 -8.792 -5.318 26 HH11 ARG 3 1HH1 ARG 3 -8.073 -8.661 -8.884 27 HH12 ARG 3 2HH1 ARG 3 -9.604 -9.447 -9.063 28 HH21 ARG 3 1HH2 ARG 3 -10.301 -9.784 -5.648 29 HH22 ARG 3 2HH2 ARG 3 -10.826 -9.985 -7.311 30 H ARG 4 H ARG 4 -6.948 -6.331 -4.250 31 HA ARG 4 HA ARG 4 -6.276 -3.661 -3.262 32 HB2 ARG 4 1HB ARG 4 -8.759 -5.293 -2.577 33 HB3 ARG 4 2HB ARG 4 -8.198 -3.825 -1.722 34 HG2 ARG 4 1HG ARG 4 -8.256 -2.805 -4.215 35 HG3 ARG 4 2HG ARG 4 -9.392 -4.132 -4.467 36 HD2 ARG 4 1HD ARG 4 -10.470 -3.118 -2.271 37 HD3 ARG 4 2HD ARG 4 -9.527 -1.680 -2.768 38 HE ARG 4 HE ARG 4 -11.052 -1.255 -4.393 39 HH11 ARG 4 1HH1 ARG 4 -11.574 -4.612 -3.346 40 HH12 ARG 4 2HH1 ARG 4 -12.985 -4.801 -4.309 41 HH21 ARG 4 1HH2 ARG 4 -12.832 -1.545 -5.673 42 HH22 ARG 4 2HH2 ARG 4 -13.625 -3.099 -5.822 43 H VAL 5 H VAL 5 -5.059 -3.863 -1.408 44 HA VAL 5 HA VAL 5 -5.175 -6.422 0.019 45 HB VAL 5 HB VAL 5 -2.830 -5.959 0.816 46 HG11 VAL 5 1HG1 VAL 5 -3.746 -7.505 -1.437 47 HG12 VAL 5 2HG1 VAL 5 -2.052 -6.995 -1.657 48 HG13 VAL 5 3HG1 VAL 5 -2.523 -7.879 -0.224 49 HG21 VAL 5 3HG2 VAL 5 -1.289 -4.774 -0.467 50 HG22 VAL 5 1HG2 VAL 5 -2.366 -4.679 -1.843 51 HG23 VAL 5 2HG2 VAL 5 -2.701 -3.711 -0.397 52 H ARG 6 H ARG 6 -4.637 -6.122 2.366 53 HA ARG 6 HA ARG 6 -5.426 -3.408 3.435 54 HB2 ARG 6 1HB ARG 6 -7.243 -4.866 3.871 55 HB3 ARG 6 2HB ARG 6 -6.214 -6.217 4.217 56 HG2 ARG 6 1HG ARG 6 -7.159 -5.671 6.260 57 HG3 ARG 6 2HG ARG 6 -5.504 -5.099 6.372 58 HD2 ARG 6 1HD ARG 6 -7.033 -3.465 7.332 59 HD3 ARG 6 2HD ARG 6 -6.292 -2.797 5.873 60 HE ARG 6 HE ARG 6 -8.780 -4.081 5.242 61 HH11 ARG 6 1HH1 ARG 6 -7.438 -1.041 6.577 62 HH12 ARG 6 2HH1 ARG 6 -8.752 -0.090 6.045 63 HH21 ARG 6 1HH2 ARG 6 -10.634 -2.771 4.672 64 HH22 ARG 6 2HH2 ARG 6 -10.617 -1.099 4.997 65 H ALA 7 H ALA 7 -3.892 -2.493 4.853 66 HA ALA 7 HA ALA 7 -1.352 -3.879 5.249 67 HB1 ALA 7 1HB ALA 7 -0.716 -1.806 6.382 68 HB2 ALA 7 2HB ALA 7 -1.546 -1.370 4.879 69 HB3 ALA 7 3HB ALA 7 -2.400 -1.253 6.419 70 H ILE 8 H ILE 8 -0.837 -5.056 7.019 71 HA ILE 8 HA ILE 8 -2.584 -4.794 9.419 72 HB ILE 8 HB ILE 8 -2.262 -7.025 10.015 73 HG12 ILE 8 1HG1 ILE 8 0.039 -7.319 8.903 74 HG13 ILE 8 2HG1 ILE 8 -1.065 -8.685 9.006 75 HG21 ILE 8 1HG2 ILE 8 -4.164 -6.428 8.595 76 HG22 ILE 8 2HG2 ILE 8 -3.236 -6.811 7.143 77 HG23 ILE 8 3HG2 ILE 8 -3.636 -8.101 8.292 78 HD11 ILE 8 3HD1 ILE 8 -0.748 -7.001 6.514 79 HD12 ILE 8 1HD1 ILE 8 0.126 -8.507 6.827 80 HD13 ILE 8 2HD1 ILE 8 -1.632 -8.528 6.669 81 H LEU 9 H LEU 9 0.284 -3.726 8.320 82 HA LEU 9 HA LEU 9 1.285 -3.317 11.048 83 HB2 LEU 9 1HB LEU 9 2.739 -4.793 8.842 84 HB3 LEU 9 2HB LEU 9 3.661 -3.731 9.895 85 HG LEU 9 HG LEU 9 1.936 -5.986 10.974 86 HD11 LEU 9 1HD1 LEU 9 3.629 -6.953 9.484 87 HD12 LEU 9 2HD1 LEU 9 3.929 -7.356 11.169 88 HD13 LEU 9 3HD1 LEU 9 4.911 -6.109 10.385 89 HD21 LEU 9 3HD2 LEU 9 2.541 -4.259 12.635 90 HD22 LEU 9 1HD2 LEU 9 4.257 -4.426 12.194 91 HD23 LEU 9 2HD2 LEU 9 3.391 -5.765 12.965 92 HA PRO 10 HA PRO 10 2.062 0.628 8.996 93 HB2 PRO 10 1HB PRO 10 3.689 1.838 10.813 94 HB3 PRO 10 2HB PRO 10 2.011 1.416 11.247 95 HG2 PRO 10 1HG PRO 10 4.485 -0.266 11.791 96 HG3 PRO 10 2HG PRO 10 3.250 0.293 12.973 97 HD2 PRO 10 1HD PRO 10 3.211 -2.144 11.782 98 HD3 PRO 10 2HD PRO 10 1.694 -1.251 12.110 99 H TYR 11 H TYR 11 3.991 1.999 8.144 100 HA TYR 11 HA TYR 11 6.599 0.743 8.242 101 HB2 TYR 11 1HB TYR 11 5.405 -0.466 6.394 102 HB3 TYR 11 2HB TYR 11 5.248 1.043 5.545 103 HD1 TYR 11 1HD TYR 11 7.679 -1.397 6.947 104 HD2 TYR 11 2HD TYR 11 7.155 1.940 4.273 105 HE1 TYR 11 1HE TYR 11 9.887 -1.850 5.967 106 HE2 TYR 11 2HE TYR 11 9.389 1.568 3.335 107 HH TYR 11 HH TYR 11 11.465 0.487 3.831 108 H THR 12 H THR 12 8.215 2.020 6.920 109 HA THR 12 HA THR 12 7.809 4.921 7.407 110 HB THR 12 HB THR 12 10.311 3.202 7.743 111 HG1 THR 12 1HG THR 12 9.113 2.621 9.353 112 HG21 THR 12 3HG2 THR 12 9.731 6.107 8.470 113 HG22 THR 12 1HG2 THR 12 10.913 5.503 7.292 114 HG23 THR 12 2HG2 THR 12 11.149 5.187 9.016 115 H LYS 13 H LYS 13 7.459 5.690 5.322 116 HA LYS 13 HA LYS 13 8.671 4.763 2.983 117 HB2 LYS 13 1HB LYS 13 8.071 6.916 1.964 118 HB3 LYS 13 2HB LYS 13 6.776 6.185 2.874 119 HG2 LYS 13 1HG LYS 13 6.504 8.085 4.100 120 HG3 LYS 13 2HG LYS 13 8.163 8.000 4.644 121 HD2 LYS 13 1HD LYS 13 8.074 10.070 3.631 122 HD3 LYS 13 2HD LYS 13 8.787 9.056 2.375 123 HE2 LYS 13 1HE LYS 13 7.356 10.366 1.194 124 HE3 LYS 13 2HE LYS 13 6.438 8.890 1.423 125 HZ1 LYS 13 3HZ LYS 13 6.118 11.430 2.918 126 HZ2 LYS 13 1HZ LYS 13 5.356 10.063 3.374 127 HZ3 LYS 13 2HZ LYS 13 4.997 10.748 1.937 128 H VAL 14 H VAL 14 10.558 5.266 1.774 129 HA VAL 14 HA VAL 14 12.729 6.650 3.136 130 HB VAL 14 HB VAL 14 12.389 5.705 0.252 131 HG11 VAL 14 1HG1 VAL 14 14.190 7.454 0.437 132 HG12 VAL 14 2HG1 VAL 14 14.971 6.458 1.690 133 HG13 VAL 14 3HG1 VAL 14 14.817 5.856 0.035 134 HG21 VAL 14 3HG2 VAL 14 13.834 3.837 0.939 135 HG22 VAL 14 1HG2 VAL 14 13.907 4.473 2.597 136 HG23 VAL 14 2HG2 VAL 14 12.377 3.881 1.923 137 HA PRO 15 HA PRO 15 11.260 10.717 1.860 138 HB2 PRO 15 1HB PRO 15 13.622 12.137 2.180 139 HB3 PRO 15 2HB PRO 15 12.595 11.637 3.547 140 HG2 PRO 15 1HG PRO 15 15.083 10.305 2.463 141 HG3 PRO 15 2HG PRO 15 14.642 10.580 4.167 142 HD2 PRO 15 1HD PRO 15 14.289 8.199 2.961 143 HD3 PRO 15 2HD PRO 15 13.156 8.791 4.201 144 H ASP 16 H ASP 16 11.360 11.930 -0.040 145 HA ASP 16 HA ASP 16 11.887 12.552 -2.123 146 HB2 ASP 16 1HB ASP 16 14.130 13.070 -1.029 147 HB3 ASP 16 2HB ASP 16 14.737 11.579 -1.750 148 H THR 17 H THR 17 10.787 9.929 -1.581 149 HA THR 17 HA THR 17 11.415 8.754 -4.212 150 HB THR 17 HB THR 17 11.164 6.497 -3.418 151 HG1 THR 17 1HG THR 17 10.973 7.580 -0.785 152 HG21 THR 17 3HG2 THR 17 13.242 6.181 -2.148 153 HG22 THR 17 1HG2 THR 17 13.288 7.911 -1.730 154 HG23 THR 17 2HG2 THR 17 13.468 7.401 -3.418 155 H ASP 18 H ASP 18 9.525 7.316 -4.845 156 HA ASP 18 HA ASP 18 7.137 8.922 -4.556 157 HB2 ASP 18 1HB ASP 18 7.563 6.286 -5.995 158 HB3 ASP 18 2HB ASP 18 6.206 7.388 -6.207 159 H GLU 19 H GLU 19 8.428 6.848 -2.381 160 HA GLU 19 HA GLU 19 6.188 5.134 -1.637 161 HB2 GLU 19 1HB GLU 19 8.666 6.129 -0.157 162 HB3 GLU 19 2HB GLU 19 7.454 5.056 0.530 163 HG2 GLU 19 1HG GLU 19 7.940 3.381 -1.256 164 HG3 GLU 19 2HG GLU 19 9.296 4.396 -1.796 165 H ILE 20 H ILE 20 5.050 5.333 0.337 166 HA ILE 20 HA ILE 20 4.869 7.978 1.577 167 HB ILE 20 HB ILE 20 2.340 7.739 1.533 168 HG12 ILE 20 1HG1 ILE 20 2.697 5.763 -0.783 169 HG13 ILE 20 2HG1 ILE 20 2.409 5.222 0.849 170 HG21 ILE 20 1HG2 ILE 20 2.033 8.766 -0.580 171 HG22 ILE 20 2HG2 ILE 20 3.666 9.218 -0.082 172 HG23 ILE 20 3HG2 ILE 20 3.436 7.962 -1.305 173 HD11 ILE 20 3HD1 ILE 20 0.276 6.490 0.908 174 HD12 ILE 20 1HD1 ILE 20 0.553 7.016 -0.768 175 HD13 ILE 20 2HD1 ILE 20 0.338 5.299 -0.417 176 H SER 21 H SER 21 4.066 7.840 3.743 177 HA SER 21 HA SER 21 4.818 5.425 5.100 178 HB2 SER 21 1HB SER 21 3.653 7.046 6.941 179 HB3 SER 21 2HB SER 21 5.344 7.120 6.456 180 HG SER 21 HG SER 21 3.650 9.042 6.320 181 H PHE 22 H PHE 22 3.368 3.935 6.084 182 HA PHE 22 HA PHE 22 0.488 4.653 6.063 183 HB2 PHE 22 1HB PHE 22 -0.189 2.482 5.212 184 HB3 PHE 22 2HB PHE 22 0.711 3.400 4.026 185 HD1 PHE 22 1HD PHE 22 0.938 0.490 6.407 186 HD2 PHE 22 2HD PHE 22 2.679 2.565 3.040 187 HE1 PHE 22 1HE PHE 22 2.364 -1.476 5.919 188 HE2 PHE 22 2HE PHE 22 4.090 0.601 2.579 189 HZ PHE 22 HZ PHE 22 3.941 -1.433 3.997 190 H LEU 23 H LEU 23 -0.797 3.141 7.364 191 HA LEU 23 HA LEU 23 0.743 2.389 9.806 192 HB2 LEU 23 1HB LEU 23 -2.052 3.555 9.442 193 HB3 LEU 23 2HB LEU 23 -1.423 2.938 10.949 194 HG LEU 23 HG LEU 23 -1.308 5.267 11.055 195 HD11 LEU 23 1HD1 LEU 23 1.088 5.683 11.509 196 HD12 LEU 23 2HD1 LEU 23 1.526 4.255 10.584 197 HD13 LEU 23 3HD1 LEU 23 0.596 4.080 12.087 198 HD21 LEU 23 3HD2 LEU 23 -1.247 5.694 8.558 199 HD22 LEU 23 1HD2 LEU 23 0.526 5.501 8.674 200 HD23 LEU 23 2HD2 LEU 23 -0.285 6.782 9.582 201 H LYS 24 H LYS 24 -0.354 0.712 11.178 202 HA LYS 24 HA LYS 24 -1.358 -1.560 9.651 203 HB2 LYS 24 1HB LYS 24 -0.408 -1.945 11.895 204 HB3 LYS 24 2HB LYS 24 -1.628 -0.884 12.631 205 HG2 LYS 24 1HG LYS 24 -3.420 -2.396 12.039 206 HG3 LYS 24 2HG LYS 24 -2.362 -3.333 11.000 207 HD2 LYS 24 1HD LYS 24 -1.053 -3.981 13.120 208 HD3 LYS 24 2HD LYS 24 -2.363 -3.215 14.023 209 HE2 LYS 24 1HE LYS 24 -3.959 -4.731 12.607 210 HE3 LYS 24 2HE LYS 24 -2.500 -5.612 12.150 211 HZ1 LYS 24 3HZ LYS 24 -2.120 -5.879 14.603 212 HZ2 LYS 24 1HZ LYS 24 -3.379 -6.703 14.008 213 HZ3 LYS 24 2HZ LYS 24 -3.669 -5.342 14.849 214 H GLY 25 H GLY 25 -3.460 -1.899 8.953 215 HA2 GLY 25 1HA GLY 25 -5.758 -1.711 9.063 216 HA3 GLY 25 2HA GLY 25 -5.636 -0.300 10.116 217 H ASP 26 H ASP 26 -3.406 0.364 7.617 218 HA ASP 26 HA ASP 26 -5.372 1.932 6.136 219 HB2 ASP 26 1HB ASP 26 -2.381 1.546 5.925 220 HB3 ASP 26 2HB ASP 26 -3.278 2.218 4.574 221 H MET 27 H MET 27 -5.337 1.623 3.537 222 HA MET 27 HA MET 27 -5.497 -1.196 2.843 223 HB2 MET 27 1HB MET 27 -7.727 -0.540 3.739 224 HB3 MET 27 2HB MET 27 -7.800 0.803 2.587 225 HG2 MET 27 1HG MET 27 -7.813 -0.702 0.723 226 HG3 MET 27 2HG MET 27 -7.218 -2.001 1.750 227 HE1 MET 27 3HE MET 27 -10.463 -3.514 0.451 228 HE2 MET 27 1HE MET 27 -9.346 -2.413 -0.389 229 HE3 MET 27 2HE MET 27 -8.698 -3.656 0.692 230 H PHE 28 H PHE 28 -5.273 -1.444 0.571 231 HA PHE 28 HA PHE 28 -4.537 1.009 -0.911 232 HB2 PHE 28 1HB PHE 28 -3.051 -1.630 -0.997 233 HB3 PHE 28 2HB PHE 28 -2.576 -0.118 -1.741 234 HD1 PHE 28 2HD PHE 28 -2.393 1.948 -0.045 235 HD2 PHE 28 1HD PHE 28 -1.873 -2.208 0.969 236 HE1 PHE 28 2HE PHE 28 -1.073 2.595 1.974 237 HE2 PHE 28 1HE PHE 28 -0.530 -1.552 2.941 238 HZ PHE 28 HZ PHE 28 -0.210 0.812 3.481 239 H ILE 29 H ILE 29 -4.292 0.474 -3.262 240 HA ILE 29 HA ILE 29 -5.957 -1.739 -4.226 241 HB ILE 29 HB ILE 29 -6.948 -0.333 -5.945 242 HG12 ILE 29 1HG1 ILE 29 -5.693 2.053 -4.492 243 HG13 ILE 29 2HG1 ILE 29 -5.301 1.500 -6.126 244 HG21 ILE 29 1HG2 ILE 29 -7.559 0.957 -3.263 245 HG22 ILE 29 2HG2 ILE 29 -8.682 0.498 -4.573 246 HG23 ILE 29 3HG2 ILE 29 -7.908 -0.731 -3.572 247 HD11 ILE 29 3HD1 ILE 29 -6.767 3.412 -6.240 248 HD12 ILE 29 1HD1 ILE 29 -7.607 1.966 -6.848 249 HD13 ILE 29 2HD1 ILE 29 -7.984 2.599 -5.227 250 H VAL 30 H VAL 30 -4.996 -2.787 -5.841 251 HA VAL 30 HA VAL 30 -2.231 -2.091 -6.521 252 HB VAL 30 HB VAL 30 -4.116 -4.295 -7.512 253 HG11 VAL 30 1HG1 VAL 30 -2.270 -5.260 -8.810 254 HG12 VAL 30 2HG1 VAL 30 -2.726 -3.697 -9.482 255 HG13 VAL 30 3HG1 VAL 30 -1.258 -3.846 -8.487 256 HG21 VAL 30 3HG2 VAL 30 -2.472 -5.768 -6.432 257 HG22 VAL 30 1HG2 VAL 30 -1.429 -4.391 -6.059 258 HG23 VAL 30 2HG2 VAL 30 -3.019 -4.542 -5.289 259 H HIS 31 H HIS 31 -1.746 -0.467 -7.868 260 HA HIS 31 HA HIS 31 -3.612 0.137 -10.109 261 HB2 HIS 31 1HB HIS 31 -2.331 1.810 -8.072 262 HB3 HIS 31 2HB HIS 31 -1.884 2.320 -9.674 263 HD1 HIS 31 1HD HIS 31 -4.657 2.063 -11.263 264 HD2 HIS 31 2HD HIS 31 -4.067 3.499 -7.345 265 HE1 HIS 31 1HE HIS 31 -6.476 3.773 -10.850 266 H ASN 32 H ASN 32 -0.319 -0.890 -9.248 267 HA ASN 32 HA ASN 32 -0.179 -1.759 -11.950 268 HB2 ASN 32 1HB ASN 32 1.062 0.599 -11.921 269 HB3 ASN 32 2HB ASN 32 2.320 -0.250 -11.047 270 HD21 ASN 32 1HD2 ASN 32 3.932 -0.700 -12.556 271 HD22 ASN 32 2HD2 ASN 32 3.626 -1.667 -13.964 272 H GLU 33 H GLU 33 2.238 -2.925 -12.083 273 HA GLU 33 HA GLU 33 2.794 -4.321 -9.514 274 HB2 GLU 33 1HB GLU 33 2.358 -5.376 -12.345 275 HB3 GLU 33 2HB GLU 33 3.391 -6.259 -11.216 276 HG2 GLU 33 1HG GLU 33 1.666 -6.916 -9.864 277 HG3 GLU 33 2HG GLU 33 0.696 -5.478 -10.196 278 H LEU 34 H LEU 34 4.899 -4.150 -8.981 279 HA LEU 34 HA LEU 34 6.911 -3.617 -11.114 280 HB2 LEU 34 1HB LEU 34 7.071 -3.012 -8.150 281 HB3 LEU 34 2HB LEU 34 8.312 -2.684 -9.335 282 HG LEU 34 HG LEU 34 5.632 -1.488 -9.969 283 HD11 LEU 34 1HD1 LEU 34 5.762 -1.157 -7.538 284 HD12 LEU 34 2HD1 LEU 34 5.868 0.350 -8.458 285 HD13 LEU 34 3HD1 LEU 34 7.344 -0.375 -7.753 286 HD21 LEU 34 3HD2 LEU 34 8.336 -0.211 -10.070 287 HD22 LEU 34 1HD2 LEU 34 6.775 0.375 -10.707 288 HD23 LEU 34 2HD2 LEU 34 7.527 -1.073 -11.412 289 H GLU 35 H GLU 35 9.109 -4.672 -9.537 290 HA GLU 35 HA GLU 35 8.307 -7.554 -9.341 291 HB2 GLU 35 1HB GLU 35 10.559 -6.257 -10.929 292 HB3 GLU 35 2HB GLU 35 10.419 -7.993 -10.677 293 HG2 GLU 35 1HG GLU 35 8.500 -8.197 -12.020 294 HG3 GLU 35 2HG GLU 35 8.136 -6.473 -11.974 295 H ASP 36 H ASP 36 9.122 -5.403 -7.477 296 HA ASP 36 HA ASP 36 11.757 -6.344 -6.478 297 HB2 ASP 36 1HB ASP 36 11.609 -4.184 -7.714 298 HB3 ASP 36 2HB ASP 36 10.547 -3.570 -6.457 299 H GLY 37 H GLY 37 8.733 -6.836 -5.621 300 HA2 GLY 37 1HA GLY 37 7.708 -7.445 -3.672 301 HA3 GLY 37 2HA GLY 37 8.966 -6.756 -2.678 302 H TRP 38 H TRP 38 7.437 -4.954 -5.345 303 HA TRP 38 HA TRP 38 6.242 -3.112 -3.339 304 HB2 TRP 38 1HB TRP 38 8.056 -2.254 -5.646 305 HB3 TRP 38 2HB TRP 38 7.017 -1.214 -4.719 306 HD1 TRP 38 HD TRP 38 10.313 -3.099 -4.317 307 HE1 TRP 38 1HE TRP 38 11.569 -2.165 -2.336 308 HE3 TRP 38 3HE TRP 38 6.659 -0.114 -2.524 309 HZ2 TRP 38 2HZ TRP 38 10.889 -0.565 0.045 310 HZ3 TRP 38 3HZ TRP 38 6.894 1.045 -0.367 311 HH2 TRP 38 HH TRP 38 9.028 0.803 0.962 312 H MET 39 H MET 39 4.509 -1.925 -4.052 313 HA MET 39 HA MET 39 3.481 -2.419 -6.813 314 HB2 MET 39 1HB MET 39 1.840 -2.459 -4.276 315 HB3 MET 39 2HB MET 39 1.224 -2.657 -5.914 316 HG2 MET 39 1HG MET 39 2.219 -4.808 -6.169 317 HG3 MET 39 2HG MET 39 3.243 -4.621 -4.754 318 HE1 MET 39 3HE MET 39 1.079 -3.527 -2.429 319 HE2 MET 39 1HE MET 39 1.072 -5.156 -1.716 320 HE3 MET 39 2HE MET 39 2.567 -4.468 -2.400 321 H TRP 40 H TRP 40 2.898 -0.501 -7.654 322 HA TRP 40 HA TRP 40 2.696 2.008 -6.200 323 HB2 TRP 40 1HB TRP 40 3.419 1.720 -8.629 324 HB3 TRP 40 2HB TRP 40 1.754 1.302 -9.018 325 HD1 TRP 40 HD TRP 40 -0.101 3.330 -8.330 326 HE1 TRP 40 1HE TRP 40 0.118 5.852 -8.529 327 HE3 TRP 40 3HE TRP 40 5.020 3.633 -8.343 328 HZ2 TRP 40 2HZ TRP 40 2.299 7.809 -8.518 329 HZ3 TRP 40 3HZ TRP 40 6.109 5.794 -8.253 330 HH2 TRP 40 HH TRP 40 4.782 7.930 -8.359 331 H VAL 41 H VAL 41 0.889 2.691 -5.182 332 HA VAL 41 HA VAL 41 -1.745 1.493 -5.836 333 HB VAL 41 HB VAL 41 -2.148 1.024 -3.536 334 HG11 VAL 41 1HG1 VAL 41 -0.940 -0.746 -4.754 335 HG12 VAL 41 2HG1 VAL 41 0.590 -0.141 -4.080 336 HG13 VAL 41 3HG1 VAL 41 -0.653 -0.763 -2.995 337 HG21 VAL 41 3HG2 VAL 41 -0.595 1.374 -1.709 338 HG22 VAL 41 1HG2 VAL 41 0.665 1.945 -2.813 339 HG23 VAL 41 2HG2 VAL 41 -0.781 2.922 -2.511 340 H THR 42 H THR 42 -3.327 2.595 -4.068 341 HA THR 42 HA THR 42 -2.603 5.378 -3.564 342 HB THR 42 HB THR 42 -5.386 4.448 -4.382 343 HG1 THR 42 1HG THR 42 -4.775 6.049 -6.148 344 HG21 THR 42 3HG2 THR 42 -4.279 7.216 -3.745 345 HG22 THR 42 1HG2 THR 42 -5.437 6.293 -2.758 346 HG23 THR 42 2HG2 THR 42 -5.901 6.848 -4.370 347 H ASN 43 H ASN 43 -2.853 5.817 -1.427 348 HA ASN 43 HA ASN 43 -3.694 3.626 0.379 349 HB2 ASN 43 1HB ASN 43 -1.568 4.899 0.766 350 HB3 ASN 43 2HB ASN 43 -2.544 6.358 1.056 351 HD21 ASN 43 1HD2 ASN 43 -0.893 5.466 3.170 352 HD22 ASN 43 2HD2 ASN 43 -1.884 4.688 4.394 353 H LEU 44 H LEU 44 -5.762 3.533 0.844 354 HA LEU 44 HA LEU 44 -7.559 5.630 0.087 355 HB2 LEU 44 1HB LEU 44 -8.144 3.219 1.841 356 HB3 LEU 44 2HB LEU 44 -9.319 4.216 0.987 357 HG LEU 44 HG LEU 44 -7.245 2.369 -0.271 358 HD11 LEU 44 1HD1 LEU 44 -9.207 1.150 -1.065 359 HD12 LEU 44 2HD1 LEU 44 -10.281 2.342 -0.294 360 HD13 LEU 44 3HD1 LEU 44 -9.254 1.302 0.704 361 HD21 LEU 44 3HD2 LEU 44 -7.416 4.302 -1.753 362 HD22 LEU 44 1HD2 LEU 44 -9.192 4.265 -1.662 363 HD23 LEU 44 2HD2 LEU 44 -8.292 2.957 -2.460 364 H ARG 45 H ARG 45 -5.660 5.527 3.001 365 HA ARG 45 HA ARG 45 -7.607 6.699 4.745 366 HB2 ARG 45 1HB ARG 45 -5.697 7.570 5.982 367 HB3 ARG 45 2HB ARG 45 -5.633 5.860 5.725 368 HG2 ARG 45 1HG ARG 45 -3.651 5.924 4.905 369 HG3 ARG 45 2HG ARG 45 -4.030 7.140 3.686 370 HD2 ARG 45 1HD ARG 45 -3.101 8.819 4.942 371 HD3 ARG 45 2HD ARG 45 -3.692 8.172 6.468 372 HE ARG 45 HE ARG 45 -1.871 6.419 6.171 373 HH11 ARG 45 1HH1 ARG 45 -1.250 9.631 4.596 374 HH12 ARG 45 2HH1 ARG 45 0.227 9.871 5.391 375 HH21 ARG 45 1HH2 ARG 45 0.217 6.805 7.163 376 HH22 ARG 45 2HH2 ARG 45 1.094 8.260 6.820 377 H THR 46 H THR 46 -5.598 8.037 2.225 378 HA THR 46 HA THR 46 -6.718 10.764 2.743 379 HB THR 46 HB THR 46 -4.255 11.486 2.361 380 HG1 THR 46 1HG THR 46 -2.734 10.002 2.766 381 HG21 THR 46 3HG2 THR 46 -5.357 11.674 4.534 382 HG22 THR 46 1HG2 THR 46 -3.653 11.176 4.700 383 HG23 THR 46 2HG2 THR 46 -4.942 9.986 4.911 384 H ASP 47 H ASP 47 -5.967 8.410 0.355 385 HA ASP 47 HA ASP 47 -6.155 8.423 -1.842 386 HB2 ASP 47 1HB ASP 47 -7.893 10.353 -1.376 387 HB3 ASP 47 2HB ASP 47 -6.636 11.414 -2.034 388 H GLU 48 H GLU 48 -3.788 9.461 -0.143 389 HA GLU 48 HA GLU 48 -1.860 10.654 -1.928 390 HB2 GLU 48 1HB GLU 48 -1.717 8.955 0.607 391 HB3 GLU 48 2HB GLU 48 -0.268 9.437 -0.266 392 HG2 GLU 48 1HG GLU 48 -0.722 11.783 0.061 393 HG3 GLU 48 2HG GLU 48 -2.294 11.438 0.791 394 H GLN 49 H GLN 49 -0.855 9.655 -3.658 395 HA GLN 49 HA GLN 49 -1.257 6.747 -4.077 396 HB2 GLN 49 1HB GLN 49 -0.333 9.029 -5.875 397 HB3 GLN 49 2HB GLN 49 -0.392 7.346 -6.396 398 HG2 GLN 49 1HG GLN 49 -2.662 7.291 -6.561 399 HG3 GLN 49 2HG GLN 49 -2.933 8.345 -5.190 400 HE21 GLN 49 1HE2 GLN 49 -3.776 8.229 -8.236 401 HE22 GLN 49 2HE2 GLN 49 -3.767 9.951 -8.601 402 H GLY 50 H GLY 50 0.723 5.562 -5.029 403 HA2 GLY 50 1HA GLY 50 3.177 6.005 -5.402 404 HA3 GLY 50 2HA GLY 50 3.244 6.552 -3.739 405 H LEU 51 H LEU 51 4.819 5.064 -3.346 406 HA LEU 51 HA LEU 51 4.346 2.248 -3.932 407 HB2 LEU 51 1HB LEU 51 6.737 3.980 -3.270 408 HB3 LEU 51 2HB LEU 51 6.871 2.247 -3.091 409 HG LEU 51 HG LEU 51 7.526 3.358 -5.346 410 HD11 LEU 51 1HD1 LEU 51 5.634 0.999 -5.451 411 HD12 LEU 51 2HD1 LEU 51 7.377 0.935 -5.048 412 HD13 LEU 51 3HD1 LEU 51 6.877 1.489 -6.638 413 HD21 LEU 51 3HD2 LEU 51 4.762 3.344 -6.104 414 HD22 LEU 51 1HD2 LEU 51 6.317 3.869 -6.876 415 HD23 LEU 51 2HD2 LEU 51 5.689 4.797 -5.530 416 H ILE 52 H ILE 52 4.236 0.660 -2.668 417 HA ILE 52 HA ILE 52 4.792 0.803 0.215 418 HB ILE 52 HB ILE 52 2.750 -0.098 0.966 419 HG12 ILE 52 1HG1 ILE 52 0.812 -0.102 -0.970 420 HG13 ILE 52 2HG1 ILE 52 2.216 -0.701 -1.862 421 HG21 ILE 52 1HG2 ILE 52 1.979 2.176 -0.898 422 HG22 ILE 52 2HG2 ILE 52 1.145 1.666 0.573 423 HG23 ILE 52 3HG2 ILE 52 2.775 2.364 0.679 424 HD11 ILE 52 3HD1 ILE 52 0.660 -2.400 -0.679 425 HD12 ILE 52 1HD1 ILE 52 2.402 -2.587 -0.364 426 HD13 ILE 52 2HD1 ILE 52 1.339 -1.827 0.841 427 H VAL 53 H VAL 53 5.440 -1.167 1.059 428 HA VAL 53 HA VAL 53 6.326 -3.121 -0.894 429 HB VAL 53 HB VAL 53 7.724 -2.160 0.962 430 HG11 VAL 53 1HG1 VAL 53 6.247 -4.053 2.826 431 HG12 VAL 53 2HG1 VAL 53 7.575 -2.932 3.219 432 HG13 VAL 53 3HG1 VAL 53 5.979 -2.317 2.789 433 HG21 VAL 53 3HG2 VAL 53 8.873 -4.281 1.518 434 HG22 VAL 53 1HG2 VAL 53 7.507 -5.188 0.828 435 HG23 VAL 53 2HG2 VAL 53 8.480 -4.118 -0.198 436 H GLU 54 H GLU 54 5.606 -5.224 -1.111 437 HA GLU 54 HA GLU 54 2.959 -5.774 -0.077 438 HB2 GLU 54 1HB GLU 54 2.853 -7.538 -1.572 439 HB3 GLU 54 2HB GLU 54 3.732 -6.229 -2.373 440 HG2 GLU 54 1HG GLU 54 5.863 -7.425 -1.978 441 HG3 GLU 54 2HG GLU 54 4.937 -8.821 -1.425 442 H ASP 55 H ASP 55 5.710 -5.953 1.530 443 HA ASP 55 HA ASP 55 5.701 -8.587 2.669 444 HB2 ASP 55 1HB ASP 55 7.662 -7.074 2.485 445 HB3 ASP 55 2HB ASP 55 6.928 -5.989 3.649 446 H LEU 56 H LEU 56 3.807 -5.821 3.364 447 HA LEU 56 HA LEU 56 3.304 -6.648 6.209 448 HB2 LEU 56 1HB LEU 56 3.663 -3.901 4.966 449 HB3 LEU 56 2HB LEU 56 3.194 -4.159 6.643 450 HG LEU 56 HG LEU 56 5.798 -5.203 5.440 451 HD11 LEU 56 1HD1 LEU 56 5.306 -2.748 7.148 452 HD12 LEU 56 2HD1 LEU 56 5.776 -2.767 5.435 453 HD13 LEU 56 3HD1 LEU 56 6.889 -3.409 6.651 454 HD21 LEU 56 3HD2 LEU 56 6.504 -5.568 7.741 455 HD22 LEU 56 1HD2 LEU 56 5.012 -6.450 7.477 456 HD23 LEU 56 2HD2 LEU 56 4.988 -4.902 8.350 457 H VAL 57 H VAL 57 1.678 -7.238 3.758 458 HA VAL 57 HA VAL 57 -0.866 -5.948 4.532 459 HB VAL 57 HB VAL 57 -1.368 -5.590 2.222 460 HG11 VAL 57 1HG1 VAL 57 -0.057 -3.827 3.407 461 HG12 VAL 57 2HG1 VAL 57 1.416 -4.457 2.642 462 HG13 VAL 57 3HG1 VAL 57 0.108 -3.809 1.643 463 HG21 VAL 57 3HG2 VAL 57 0.362 -5.959 0.411 464 HG22 VAL 57 1HG2 VAL 57 1.362 -6.801 1.591 465 HG23 VAL 57 2HG2 VAL 57 -0.208 -7.468 1.124 466 H GLU 58 H GLU 58 -2.746 -7.191 3.397 467 HA GLU 58 HA GLU 58 -2.232 -10.092 3.034 468 HB2 GLU 58 1HB GLU 58 -4.390 -10.554 4.154 469 HB3 GLU 58 2HB GLU 58 -3.200 -9.891 5.274 470 HG2 GLU 58 1HG GLU 58 -4.292 -7.873 5.500 471 HG3 GLU 58 2HG GLU 58 -5.030 -7.924 3.928 472 H GLU 59 H GLU 59 -3.797 -11.077 1.661 473 HA GLU 59 HA GLU 59 -4.380 -9.435 -0.607 474 HB2 GLU 59 1HB GLU 59 -4.830 -11.593 -1.737 475 HB3 GLU 59 2HB GLU 59 -3.334 -11.660 -0.829 476 HG2 GLU 59 1HG GLU 59 -4.043 -13.346 0.463 477 HG3 GLU 59 2HG GLU 59 -5.551 -12.542 0.873 478 H VAL 60 H VAL 60 -6.055 -8.645 1.382 479 HA VAL 60 HA VAL 60 -8.364 -9.832 1.897 480 HB VAL 60 HB VAL 60 -7.376 -7.752 2.766 481 HG11 VAL 60 1HG1 VAL 60 -9.073 -6.287 0.692 482 HG12 VAL 60 2HG1 VAL 60 -8.063 -5.556 1.950 483 HG13 VAL 60 3HG1 VAL 60 -7.315 -6.454 0.617 484 HG21 VAL 60 3HG2 VAL 60 -9.426 -6.843 3.692 485 HG22 VAL 60 1HG2 VAL 60 -10.375 -7.587 2.388 486 HG23 VAL 60 2HG2 VAL 60 -9.545 -8.605 3.579 487 H GLY 61 H GLY 61 -10.384 -10.028 1.257 488 HA2 GLY 61 1HA GLY 61 -10.816 -10.137 -1.576 489 HA3 GLY 61 2HA GLY 61 -11.991 -10.597 -0.340 490 H ARG 62 H ARG 62 -11.008 -7.437 0.250 491 HA ARG 62 HA ARG 62 -13.785 -6.628 -0.293 492 HB2 ARG 62 1HB ARG 62 -11.646 -5.449 1.558 493 HB3 ARG 62 2HB ARG 62 -13.314 -4.868 1.420 494 HG2 ARG 62 1HG ARG 62 -14.208 -6.996 2.237 495 HG3 ARG 62 2HG ARG 62 -12.602 -7.719 2.150 496 HD2 ARG 62 1HD ARG 62 -11.880 -5.900 3.852 497 HD3 ARG 62 2HD ARG 62 -13.630 -5.743 4.169 498 HE ARG 62 HE ARG 62 -12.802 -8.495 4.141 499 HH11 ARG 62 1HH1 ARG 62 -12.784 -5.612 6.213 500 HH12 ARG 62 2HH1 ARG 62 -12.300 -6.430 7.646 501 HH21 ARG 62 1HH2 ARG 62 -12.184 -9.647 6.099 502 HH22 ARG 62 2HH2 ARG 62 -12.284 -8.840 7.598 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -2.858 -5.405 -13.188 2 HA2 GLY 1 1HA GLY 1 -4.529 -7.163 -12.386 3 HA3 GLY 1 2HA GLY 1 -3.392 -7.344 -11.026 4 H ARG 2 H ARG 2 -5.991 -6.555 -10.410 5 HA ARG 2 HA ARG 2 -5.760 -3.672 -9.685 6 HB2 ARG 2 1HB ARG 2 -7.931 -4.920 -11.402 7 HB3 ARG 2 2HB ARG 2 -8.259 -3.530 -10.386 8 HG2 ARG 2 1HG ARG 2 -7.766 -2.415 -12.273 9 HG3 ARG 2 2HG ARG 2 -6.188 -2.427 -11.493 10 HD2 ARG 2 1HD ARG 2 -5.425 -3.159 -13.490 11 HD3 ARG 2 2HD ARG 2 -6.016 -4.733 -12.975 12 HE ARG 2 HE ARG 2 -7.781 -4.634 -14.427 13 HH11 ARG 2 1HH1 ARG 2 -6.252 -1.379 -14.326 14 HH12 ARG 2 2HH1 ARG 2 -6.910 -0.930 -15.860 15 HH21 ARG 2 1HH2 ARG 2 -8.637 -3.942 -16.471 16 HH22 ARG 2 2HH2 ARG 2 -8.264 -2.376 -17.077 17 H ARG 3 H ARG 3 -5.226 -5.682 -7.917 18 HA ARG 3 HA ARG 3 -7.669 -6.516 -6.589 19 HB2 ARG 3 1HB ARG 3 -4.754 -7.082 -5.850 20 HB3 ARG 3 2HB ARG 3 -6.177 -7.875 -5.204 21 HG2 ARG 3 1HG ARG 3 -4.961 -8.140 -7.947 22 HG3 ARG 3 2HG ARG 3 -5.265 -9.398 -6.746 23 HD2 ARG 3 1HD ARG 3 -7.232 -7.823 -8.372 24 HD3 ARG 3 2HD ARG 3 -6.920 -9.565 -8.469 25 HE ARG 3 HE ARG 3 -8.585 -8.248 -6.423 26 HH11 ARG 3 1HH1 ARG 3 -7.061 -11.316 -7.468 27 HH12 ARG 3 2HH1 ARG 3 -7.418 -12.133 -6.015 28 HH21 ARG 3 1HH2 ARG 3 -8.971 -9.377 -4.449 29 HH22 ARG 3 2HH2 ARG 3 -8.694 -11.076 -4.335 30 H ARG 4 H ARG 4 -7.138 -6.627 -4.120 31 HA ARG 4 HA ARG 4 -6.597 -3.883 -3.095 32 HB2 ARG 4 1HB ARG 4 -9.255 -5.323 -3.106 33 HB3 ARG 4 2HB ARG 4 -8.781 -4.549 -1.587 34 HG2 ARG 4 1HG ARG 4 -9.329 -2.545 -2.352 35 HG3 ARG 4 2HG ARG 4 -8.176 -2.696 -3.654 36 HD2 ARG 4 1HD ARG 4 -10.126 -2.113 -4.649 37 HD3 ARG 4 2HD ARG 4 -9.865 -3.837 -5.046 38 HE ARG 4 HE ARG 4 -11.559 -3.832 -2.803 39 HH11 ARG 4 1HH1 ARG 4 -11.756 -2.701 -6.162 40 HH12 ARG 4 2HH1 ARG 4 -13.438 -2.234 -6.059 41 HH21 ARG 4 1HH2 ARG 4 -13.751 -3.555 -2.777 42 HH22 ARG 4 2HH2 ARG 4 -14.661 -2.776 -4.048 43 H VAL 5 H VAL 5 -5.061 -4.110 -1.624 44 HA VAL 5 HA VAL 5 -5.294 -6.405 0.232 45 HB VAL 5 HB VAL 5 -2.885 -5.867 0.827 46 HG11 VAL 5 1HG1 VAL 5 -3.183 -7.328 -1.786 47 HG12 VAL 5 2HG1 VAL 5 -1.929 -7.485 -0.568 48 HG13 VAL 5 3HG1 VAL 5 -3.578 -7.988 -0.211 49 HG21 VAL 5 3HG2 VAL 5 -1.394 -4.892 -0.658 50 HG22 VAL 5 1HG2 VAL 5 -2.532 -4.952 -1.983 51 HG23 VAL 5 2HG2 VAL 5 -2.775 -3.788 -0.653 52 H ARG 6 H ARG 6 -4.292 -5.835 2.433 53 HA ARG 6 HA ARG 6 -5.093 -3.106 3.346 54 HB2 ARG 6 1HB ARG 6 -7.008 -4.454 3.656 55 HB3 ARG 6 2HB ARG 6 -6.077 -5.864 4.123 56 HG2 ARG 6 1HG ARG 6 -5.689 -5.121 6.294 57 HG3 ARG 6 2HG ARG 6 -6.022 -3.436 5.903 58 HD2 ARG 6 1HD ARG 6 -8.138 -5.636 5.697 59 HD3 ARG 6 2HD ARG 6 -7.851 -4.737 7.178 60 HE ARG 6 HE ARG 6 -9.294 -3.846 4.852 61 HH11 ARG 6 1HH1 ARG 6 -7.264 -2.709 7.464 62 HH12 ARG 6 2HH1 ARG 6 -7.723 -1.037 7.358 63 HH21 ARG 6 1HH2 ARG 6 -10.120 -1.566 4.801 64 HH22 ARG 6 2HH2 ARG 6 -9.269 -0.392 5.725 65 H ALA 7 H ALA 7 -3.668 -2.286 5.029 66 HA ALA 7 HA ALA 7 -1.111 -3.714 5.323 67 HB1 ALA 7 1HB ALA 7 -0.709 -1.414 5.107 68 HB2 ALA 7 2HB ALA 7 -2.175 -0.954 6.029 69 HB3 ALA 7 3HB ALA 7 -0.742 -1.588 6.850 70 H ILE 8 H ILE 8 -0.486 -4.761 7.147 71 HA ILE 8 HA ILE 8 -2.373 -4.641 9.459 72 HB ILE 8 HB ILE 8 -1.967 -6.829 10.072 73 HG12 ILE 8 1HG1 ILE 8 0.411 -6.985 9.024 74 HG13 ILE 8 2HG1 ILE 8 -0.606 -8.407 9.236 75 HG21 ILE 8 1HG2 ILE 8 -3.208 -7.955 8.267 76 HG22 ILE 8 2HG2 ILE 8 -3.806 -6.297 8.479 77 HG23 ILE 8 3HG2 ILE 8 -2.753 -6.692 7.118 78 HD11 ILE 8 3HD1 ILE 8 -0.501 -6.945 6.602 79 HD12 ILE 8 1HD1 ILE 8 0.628 -8.247 7.017 80 HD13 ILE 8 2HD1 ILE 8 -1.104 -8.576 6.933 81 H LEU 9 H LEU 9 0.395 -3.280 8.719 82 HA LEU 9 HA LEU 9 1.007 -2.745 11.548 83 HB2 LEU 9 1HB LEU 9 2.956 -4.208 9.778 84 HB3 LEU 9 2HB LEU 9 3.564 -3.007 10.858 85 HG LEU 9 HG LEU 9 1.742 -4.734 12.345 86 HD11 LEU 9 1HD1 LEU 9 4.004 -6.164 10.895 87 HD12 LEU 9 2HD1 LEU 9 2.268 -6.440 10.692 88 HD13 LEU 9 3HD1 LEU 9 3.040 -6.821 12.237 89 HD21 LEU 9 3HD2 LEU 9 3.466 -3.381 13.416 90 HD22 LEU 9 1HD2 LEU 9 4.746 -4.296 12.554 91 HD23 LEU 9 2HD2 LEU 9 3.718 -5.092 13.764 92 HA PRO 10 HA PRO 10 2.049 1.080 9.429 93 HB2 PRO 10 1HB PRO 10 3.436 2.420 11.293 94 HB3 PRO 10 2HB PRO 10 1.739 1.963 11.606 95 HG2 PRO 10 1HG PRO 10 4.231 0.545 12.597 96 HG3 PRO 10 2HG PRO 10 2.713 0.929 13.484 97 HD2 PRO 10 1HD PRO 10 3.218 -1.490 12.351 98 HD3 PRO 10 2HD PRO 10 1.586 -0.821 12.664 99 H TYR 11 H TYR 11 4.056 2.344 8.677 100 HA TYR 11 HA TYR 11 6.590 0.878 8.787 101 HB2 TYR 11 1HB TYR 11 5.268 -0.136 6.937 102 HB3 TYR 11 2HB TYR 11 5.157 1.439 6.179 103 HD1 TYR 11 2HD TYR 11 7.545 -1.247 7.236 104 HD2 TYR 11 1HD TYR 11 6.908 2.240 4.783 105 HE1 TYR 11 2HE TYR 11 9.674 -1.703 6.006 106 HE2 TYR 11 1HE TYR 11 9.012 1.800 3.587 107 HH TYR 11 HH TYR 11 11.110 0.651 3.907 108 H THR 12 H THR 12 8.103 2.275 7.076 109 HA THR 12 HA THR 12 7.856 5.142 7.718 110 HB THR 12 HB THR 12 10.325 3.383 8.153 111 HG1 THR 12 1HG THR 12 9.131 2.970 9.832 112 HG21 THR 12 3HG2 THR 12 11.239 5.461 9.245 113 HG22 THR 12 1HG2 THR 12 9.854 6.372 8.575 114 HG23 THR 12 2HG2 THR 12 11.022 5.591 7.491 115 H LYS 13 H LYS 13 7.649 5.923 5.621 116 HA LYS 13 HA LYS 13 8.724 4.603 3.340 117 HB2 LYS 13 1HB LYS 13 8.213 6.598 2.129 118 HB3 LYS 13 2HB LYS 13 6.844 6.127 3.122 119 HG2 LYS 13 1HG LYS 13 7.144 7.989 4.572 120 HG3 LYS 13 2HG LYS 13 8.779 8.328 3.992 121 HD2 LYS 13 1HD LYS 13 6.294 8.585 2.272 122 HD3 LYS 13 2HD LYS 13 7.073 9.908 3.152 123 HE2 LYS 13 1HE LYS 13 9.118 9.692 1.856 124 HE3 LYS 13 2HE LYS 13 8.531 8.229 1.056 125 HZ1 LYS 13 3HZ LYS 13 6.776 9.546 0.069 126 HZ2 LYS 13 1HZ LYS 13 8.245 10.080 -0.391 127 HZ3 LYS 13 2HZ LYS 13 7.389 10.931 0.730 128 H VAL 14 H VAL 14 10.600 4.921 2.110 129 HA VAL 14 HA VAL 14 12.903 6.104 3.315 130 HB VAL 14 HB VAL 14 13.237 4.466 1.704 131 HG11 VAL 14 1HG1 VAL 14 12.669 4.604 -0.724 132 HG12 VAL 14 2HG1 VAL 14 11.615 3.972 0.464 133 HG13 VAL 14 3HG1 VAL 14 11.296 5.567 -0.093 134 HG21 VAL 14 3HG2 VAL 14 14.734 5.398 0.016 135 HG22 VAL 14 1HG2 VAL 14 14.284 7.017 0.590 136 HG23 VAL 14 2HG2 VAL 14 15.046 5.853 1.682 137 HA PRO 15 HA PRO 15 12.040 10.446 2.501 138 HB2 PRO 15 1HB PRO 15 14.603 11.475 2.821 139 HB3 PRO 15 2HB PRO 15 13.521 11.034 4.160 140 HG2 PRO 15 1HG PRO 15 15.772 9.424 2.926 141 HG3 PRO 15 2HG PRO 15 15.372 9.602 4.666 142 HD2 PRO 15 1HD PRO 15 14.665 7.418 3.260 143 HD3 PRO 15 2HD PRO 15 13.620 8.091 4.548 144 H ASP 16 H ASP 16 12.005 11.692 0.684 145 HA ASP 16 HA ASP 16 12.330 12.538 -1.356 146 HB2 ASP 16 1HB ASP 16 14.677 12.824 -0.615 147 HB3 ASP 16 2HB ASP 16 15.102 11.300 -1.399 148 H THR 17 H THR 17 10.708 10.360 -1.270 149 HA THR 17 HA THR 17 11.340 8.789 -3.694 150 HB THR 17 HB THR 17 10.944 6.644 -2.470 151 HG1 THR 17 1HG THR 17 10.791 7.846 0.007 152 HG21 THR 17 3HG2 THR 17 13.257 7.921 -2.400 153 HG22 THR 17 1HG2 THR 17 13.007 6.529 -1.414 154 HG23 THR 17 2HG2 THR 17 12.847 8.121 -0.677 155 H ASP 18 H ASP 18 9.546 7.329 -4.241 156 HA ASP 18 HA ASP 18 7.082 8.856 -4.312 157 HB2 ASP 18 1HB ASP 18 7.902 6.252 -5.627 158 HB3 ASP 18 2HB ASP 18 6.470 7.206 -6.012 159 H GLU 19 H GLU 19 8.308 6.716 -2.039 160 HA GLU 19 HA GLU 19 5.999 5.060 -1.440 161 HB2 GLU 19 1HB GLU 19 8.462 5.931 0.101 162 HB3 GLU 19 2HB GLU 19 7.120 5.094 0.882 163 HG2 GLU 19 1HG GLU 19 7.459 3.279 -0.950 164 HG3 GLU 19 2HG GLU 19 9.090 3.976 -1.053 165 H ILE 20 H ILE 20 4.835 5.260 0.677 166 HA ILE 20 HA ILE 20 4.112 8.013 1.449 167 HB ILE 20 HB ILE 20 1.696 7.190 1.329 168 HG12 ILE 20 1HG1 ILE 20 2.792 5.292 -0.825 169 HG13 ILE 20 2HG1 ILE 20 2.282 4.761 0.770 170 HG21 ILE 20 1HG2 ILE 20 2.705 8.960 -0.064 171 HG22 ILE 20 2HG2 ILE 20 3.173 7.759 -1.268 172 HG23 ILE 20 3HG2 ILE 20 1.454 8.043 -0.930 173 HD11 ILE 20 3HD1 ILE 20 0.002 5.711 0.323 174 HD12 ILE 20 1HD1 ILE 20 0.515 6.021 -1.357 175 HD13 ILE 20 2HD1 ILE 20 0.475 4.360 -0.728 176 H SER 21 H SER 21 4.019 8.195 3.654 177 HA SER 21 HA SER 21 4.540 6.010 5.371 178 HB2 SER 21 1HB SER 21 3.606 7.911 7.004 179 HB3 SER 21 2HB SER 21 5.259 7.844 6.377 180 HG SER 21 HG SER 21 3.263 9.646 5.826 181 H PHE 22 H PHE 22 3.131 4.512 6.206 182 HA PHE 22 HA PHE 22 0.210 5.119 6.252 183 HB2 PHE 22 1HB PHE 22 -0.328 2.937 5.298 184 HB3 PHE 22 2HB PHE 22 0.520 3.976 4.174 185 HD1 PHE 22 1HD PHE 22 1.286 1.203 6.672 186 HD2 PHE 22 2HD PHE 22 2.135 2.986 2.824 187 HE1 PHE 22 1HE PHE 22 2.979 -0.532 6.238 188 HE2 PHE 22 2HE PHE 22 3.768 1.175 2.370 189 HZ PHE 22 HZ PHE 22 4.246 -0.540 4.075 190 H LEU 23 H LEU 23 -1.045 3.521 7.488 191 HA LEU 23 HA LEU 23 0.491 2.675 9.918 192 HB2 LEU 23 1HB LEU 23 -2.375 3.633 9.536 193 HB3 LEU 23 2HB LEU 23 -1.780 2.921 11.021 194 HG LEU 23 HG LEU 23 -1.886 5.219 11.338 195 HD11 LEU 23 1HD1 LEU 23 1.060 4.535 11.001 196 HD12 LEU 23 2HD1 LEU 23 0.041 4.020 12.360 197 HD13 LEU 23 3HD1 LEU 23 0.365 5.739 12.092 198 HD21 LEU 23 3HD2 LEU 23 -1.751 5.937 8.958 199 HD22 LEU 23 1HD2 LEU 23 0.013 5.779 9.040 200 HD23 LEU 23 2HD2 LEU 23 -0.825 6.938 10.095 201 H LYS 24 H LYS 24 -0.520 0.924 11.175 202 HA LYS 24 HA LYS 24 -1.477 -1.409 9.729 203 HB2 LYS 24 1HB LYS 24 -0.608 -1.497 12.094 204 HB3 LYS 24 2HB LYS 24 -1.988 -0.545 12.624 205 HG2 LYS 24 1HG LYS 24 -3.544 -2.326 12.164 206 HG3 LYS 24 2HG LYS 24 -2.357 -3.197 11.201 207 HD2 LYS 24 1HD LYS 24 -0.971 -3.397 13.367 208 HD3 LYS 24 2HD LYS 24 -2.430 -2.882 14.225 209 HE2 LYS 24 1HE LYS 24 -2.530 -5.217 12.281 210 HE3 LYS 24 2HE LYS 24 -1.788 -5.440 13.862 211 HZ1 LYS 24 3HZ LYS 24 -4.103 -6.057 13.843 212 HZ2 LYS 24 1HZ LYS 24 -4.572 -4.518 13.509 213 HZ3 LYS 24 2HZ LYS 24 -3.831 -4.878 14.929 214 H GLY 25 H GLY 25 -3.596 -1.893 9.089 215 HA2 GLY 25 1HA GLY 25 -5.903 -1.777 9.209 216 HA3 GLY 25 2HA GLY 25 -5.808 -0.340 10.227 217 H ASP 26 H ASP 26 -3.725 0.168 7.541 218 HA ASP 26 HA ASP 26 -5.793 1.763 6.187 219 HB2 ASP 26 1HB ASP 26 -2.786 1.475 5.886 220 HB3 ASP 26 2HB ASP 26 -3.757 2.239 4.634 221 H MET 27 H MET 27 -5.720 1.600 3.627 222 HA MET 27 HA MET 27 -5.721 -1.184 2.776 223 HB2 MET 27 1HB MET 27 -8.055 -0.129 3.736 224 HB3 MET 27 2HB MET 27 -8.148 0.441 2.067 225 HG2 MET 27 1HG MET 27 -7.577 -1.925 1.355 226 HG3 MET 27 2HG MET 27 -7.665 -2.366 3.062 227 HE1 MET 27 3HE MET 27 -10.820 -2.712 0.022 228 HE2 MET 27 1HE MET 27 -9.308 -1.812 -0.237 229 HE3 MET 27 2HE MET 27 -9.239 -3.486 0.353 230 H PHE 28 H PHE 28 -5.770 -1.410 0.507 231 HA PHE 28 HA PHE 28 -5.039 1.024 -0.963 232 HB2 PHE 28 1HB PHE 28 -3.411 -1.537 -0.894 233 HB3 PHE 28 2HB PHE 28 -2.981 -0.065 -1.742 234 HD1 PHE 28 1HD PHE 28 -2.173 1.936 -0.546 235 HD2 PHE 28 2HD PHE 28 -3.119 -1.725 1.509 236 HE1 PHE 28 1HE PHE 28 -0.868 2.700 1.438 237 HE2 PHE 28 2HE PHE 28 -2.008 -0.871 3.523 238 HZ PHE 28 HZ PHE 28 -0.763 1.285 3.460 239 H ILE 29 H ILE 29 -4.542 0.436 -3.287 240 HA ILE 29 HA ILE 29 -6.198 -1.731 -4.385 241 HB ILE 29 HB ILE 29 -7.115 -0.277 -6.082 242 HG12 ILE 29 1HG1 ILE 29 -5.640 1.988 -4.661 243 HG13 ILE 29 2HG1 ILE 29 -5.395 1.423 -6.319 244 HG21 ILE 29 1HG2 ILE 29 -8.763 0.840 -4.773 245 HG22 ILE 29 2HG2 ILE 29 -8.292 -0.572 -3.846 246 HG23 ILE 29 3HG2 ILE 29 -7.670 1.025 -3.378 247 HD11 ILE 29 3HD1 ILE 29 -7.736 2.098 -6.849 248 HD12 ILE 29 1HD1 ILE 29 -7.833 2.847 -5.235 249 HD13 ILE 29 2HD1 ILE 29 -6.659 3.454 -6.398 250 H VAL 30 H VAL 30 -5.105 -2.803 -5.996 251 HA VAL 30 HA VAL 30 -2.344 -2.183 -6.529 252 HB VAL 30 HB VAL 30 -4.292 -4.122 -7.914 253 HG11 VAL 30 1HG1 VAL 30 -1.253 -4.216 -8.013 254 HG12 VAL 30 2HG1 VAL 30 -2.431 -5.349 -8.748 255 HG13 VAL 30 3HG1 VAL 30 -2.299 -3.682 -9.342 256 HG21 VAL 30 3HG2 VAL 30 -2.282 -4.595 -5.687 257 HG22 VAL 30 1HG2 VAL 30 -4.032 -4.694 -5.569 258 HG23 VAL 30 2HG2 VAL 30 -3.148 -5.858 -6.551 259 H HIS 31 H HIS 31 -1.697 -0.461 -7.869 260 HA HIS 31 HA HIS 31 -3.521 0.238 -10.119 261 HB2 HIS 31 1HB HIS 31 -2.252 1.852 -8.032 262 HB3 HIS 31 2HB HIS 31 -1.794 2.391 -9.625 263 HD1 HIS 31 1HD HIS 31 -4.375 2.325 -11.312 264 HD2 HIS 31 2HD HIS 31 -4.070 3.434 -7.277 265 HE1 HIS 31 1HE HIS 31 -6.423 3.719 -10.836 266 H ASN 32 H ASN 32 -0.265 -0.840 -9.326 267 HA ASN 32 HA ASN 32 -0.025 -1.511 -12.088 268 HB2 ASN 32 1HB ASN 32 1.130 0.859 -11.742 269 HB3 ASN 32 2HB ASN 32 2.391 -0.069 -10.967 270 HD21 ASN 32 1HD2 ASN 32 3.973 -0.881 -12.455 271 HD22 ASN 32 2HD2 ASN 32 3.685 -0.922 -14.172 272 H GLU 33 H GLU 33 2.318 -2.662 -12.133 273 HA GLU 33 HA GLU 33 2.865 -4.145 -9.579 274 HB2 GLU 33 1HB GLU 33 2.197 -5.310 -12.296 275 HB3 GLU 33 2HB GLU 33 3.104 -6.225 -11.091 276 HG2 GLU 33 1HG GLU 33 1.338 -6.395 -9.597 277 HG3 GLU 33 2HG GLU 33 0.522 -4.970 -10.205 278 H LEU 34 H LEU 34 5.022 -4.070 -9.174 279 HA LEU 34 HA LEU 34 6.910 -3.421 -11.398 280 HB2 LEU 34 1HB LEU 34 7.254 -2.948 -8.431 281 HB3 LEU 34 2HB LEU 34 8.398 -2.514 -9.670 282 HG LEU 34 HG LEU 34 5.667 -1.363 -10.025 283 HD11 LEU 34 1HD1 LEU 34 5.990 0.413 -8.422 284 HD12 LEU 34 2HD1 LEU 34 7.552 -0.308 -7.905 285 HD13 LEU 34 3HD1 LEU 34 6.028 -1.138 -7.571 286 HD21 LEU 34 3HD2 LEU 34 8.405 -0.215 -10.346 287 HD22 LEU 34 1HD2 LEU 34 6.890 0.652 -10.607 288 HD23 LEU 34 2HD2 LEU 34 7.299 -0.758 -11.624 289 H GLU 35 H GLU 35 9.265 -4.274 -10.149 290 HA GLU 35 HA GLU 35 8.928 -7.235 -9.958 291 HB2 GLU 35 1HB GLU 35 10.722 -5.626 -11.823 292 HB3 GLU 35 2HB GLU 35 10.803 -7.367 -11.559 293 HG2 GLU 35 1HG GLU 35 8.632 -7.712 -12.549 294 HG3 GLU 35 2HG GLU 35 8.318 -5.988 -12.578 295 H ASP 36 H ASP 36 9.233 -5.861 -7.818 296 HA ASP 36 HA ASP 36 11.929 -6.423 -6.765 297 HB2 ASP 36 1HB ASP 36 11.960 -4.126 -7.963 298 HB3 ASP 36 2HB ASP 36 11.026 -3.531 -6.626 299 H GLY 37 H GLY 37 9.034 -7.178 -6.324 300 HA2 GLY 37 1HA GLY 37 7.565 -7.579 -4.609 301 HA3 GLY 37 2HA GLY 37 8.828 -7.069 -3.482 302 H TRP 38 H TRP 38 8.456 -4.466 -5.482 303 HA TRP 38 HA TRP 38 6.751 -3.044 -3.576 304 HB2 TRP 38 1HB TRP 38 8.430 -2.094 -5.968 305 HB3 TRP 38 2HB TRP 38 7.381 -1.115 -5.005 306 HD1 TRP 38 HD TRP 38 10.815 -2.807 -4.655 307 HE1 TRP 38 1HE TRP 38 11.876 -2.111 -2.432 308 HE3 TRP 38 3HE TRP 38 6.899 -0.232 -2.725 309 HZ2 TRP 38 2HZ TRP 38 11.055 -0.712 -0.038 310 HZ3 TRP 38 3HZ TRP 38 6.956 0.668 -0.451 311 HH2 TRP 38 HH TRP 38 9.074 0.388 0.949 312 H MET 39 H MET 39 4.854 -1.924 -4.145 313 HA MET 39 HA MET 39 3.733 -2.377 -6.848 314 HB2 MET 39 1HB MET 39 2.228 -2.711 -4.260 315 HB3 MET 39 2HB MET 39 1.496 -2.695 -5.858 316 HG2 MET 39 1HG MET 39 2.671 -4.705 -6.510 317 HG3 MET 39 2HG MET 39 3.582 -4.745 -5.002 318 HE1 MET 39 3HE MET 39 1.431 -4.153 -2.707 319 HE2 MET 39 1HE MET 39 1.203 -5.861 -2.298 320 HE3 MET 39 2HE MET 39 2.810 -5.245 -2.782 321 H TRP 40 H TRP 40 2.925 -0.564 -7.623 322 HA TRP 40 HA TRP 40 2.687 1.939 -6.136 323 HB2 TRP 40 1HB TRP 40 3.466 1.689 -8.562 324 HB3 TRP 40 2HB TRP 40 1.814 1.252 -8.979 325 HD1 TRP 40 HD TRP 40 -0.075 3.257 -8.404 326 HE1 TRP 40 1HE TRP 40 0.108 5.787 -8.494 327 HE3 TRP 40 3HE TRP 40 5.039 3.612 -8.130 328 HZ2 TRP 40 2HZ TRP 40 2.271 7.760 -8.384 329 HZ3 TRP 40 3HZ TRP 40 6.106 5.808 -8.013 330 HH2 TRP 40 HH TRP 40 4.736 7.912 -8.138 331 H VAL 41 H VAL 41 0.829 2.619 -5.191 332 HA VAL 41 HA VAL 41 -1.763 1.371 -5.882 333 HB VAL 41 HB VAL 41 -2.176 0.924 -3.537 334 HG11 VAL 41 1HG1 VAL 41 -1.110 -0.883 -4.859 335 HG12 VAL 41 2HG1 VAL 41 0.477 -0.376 -4.230 336 HG13 VAL 41 3HG1 VAL 41 -0.771 -0.950 -3.114 337 HG21 VAL 41 3HG2 VAL 41 -0.703 2.711 -2.534 338 HG22 VAL 41 1HG2 VAL 41 -0.469 1.122 -1.808 339 HG23 VAL 41 2HG2 VAL 41 0.708 1.730 -2.977 340 H THR 42 H THR 42 -3.430 2.463 -4.189 341 HA THR 42 HA THR 42 -2.751 5.245 -3.585 342 HB THR 42 HB THR 42 -5.527 4.214 -4.287 343 HG1 THR 42 1HG THR 42 -4.988 6.173 -5.813 344 HG21 THR 42 3HG2 THR 42 -5.597 5.961 -2.552 345 HG22 THR 42 1HG2 THR 42 -6.251 6.542 -4.082 346 HG23 THR 42 2HG2 THR 42 -4.622 7.025 -3.569 347 H ASN 43 H ASN 43 -3.045 5.579 -1.384 348 HA ASN 43 HA ASN 43 -4.010 3.390 0.381 349 HB2 ASN 43 1HB ASN 43 -1.851 4.621 0.929 350 HB3 ASN 43 2HB ASN 43 -2.805 6.091 1.126 351 HD21 ASN 43 1HD2 ASN 43 -1.320 5.053 3.298 352 HD22 ASN 43 2HD2 ASN 43 -2.394 4.396 4.521 353 H LEU 44 H LEU 44 -6.136 3.495 0.759 354 HA LEU 44 HA LEU 44 -7.680 5.820 -0.029 355 HB2 LEU 44 1HB LEU 44 -8.646 3.424 1.570 356 HB3 LEU 44 2HB LEU 44 -9.611 4.607 0.690 357 HG LEU 44 HG LEU 44 -7.834 2.438 -0.463 358 HD11 LEU 44 1HD1 LEU 44 -10.083 1.755 0.137 359 HD12 LEU 44 2HD1 LEU 44 -9.984 1.897 -1.631 360 HD13 LEU 44 3HD1 LEU 44 -10.783 3.158 -0.702 361 HD21 LEU 44 3HD2 LEU 44 -8.412 3.274 -2.725 362 HD22 LEU 44 1HD2 LEU 44 -7.380 4.401 -1.867 363 HD23 LEU 44 2HD2 LEU 44 -9.124 4.731 -1.996 364 H ARG 45 H ARG 45 -5.829 5.460 2.805 365 HA ARG 45 HA ARG 45 -7.690 6.502 4.714 366 HB2 ARG 45 1HB ARG 45 -5.892 6.851 6.124 367 HB3 ARG 45 2HB ARG 45 -5.330 5.519 5.118 368 HG2 ARG 45 1HG ARG 45 -3.993 7.148 3.765 369 HG3 ARG 45 2HG ARG 45 -4.528 8.442 4.858 370 HD2 ARG 45 1HD ARG 45 -3.534 7.247 6.779 371 HD3 ARG 45 2HD ARG 45 -2.893 6.044 5.657 372 HE ARG 45 HE ARG 45 -1.737 7.943 4.477 373 HH11 ARG 45 1HH1 ARG 45 -2.226 8.009 7.951 374 HH12 ARG 45 2HH1 ARG 45 -1.061 9.249 8.256 375 HH21 ARG 45 1HH2 ARG 45 -0.351 9.608 4.742 376 HH22 ARG 45 2HH2 ARG 45 0.279 10.039 6.313 377 H THR 46 H THR 46 -5.867 8.161 2.166 378 HA THR 46 HA THR 46 -7.361 10.580 2.670 379 HB THR 46 HB THR 46 -5.526 10.491 4.434 380 HG1 THR 46 1HG THR 46 -6.673 12.422 3.617 381 HG21 THR 46 3HG2 THR 46 -3.310 11.154 3.951 382 HG22 THR 46 1HG2 THR 46 -3.705 11.457 2.248 383 HG23 THR 46 2HG2 THR 46 -3.661 9.785 2.886 384 H ASP 47 H ASP 47 -6.421 8.489 0.499 385 HA ASP 47 HA ASP 47 -6.290 8.485 -1.669 386 HB2 ASP 47 1HB ASP 47 -7.910 10.557 -1.272 387 HB3 ASP 47 2HB ASP 47 -6.537 11.497 -1.891 388 H GLU 48 H GLU 48 -3.960 8.996 0.008 389 HA GLU 48 HA GLU 48 -1.829 10.265 -1.503 390 HB2 GLU 48 1HB GLU 48 -2.119 8.256 0.765 391 HB3 GLU 48 2HB GLU 48 -0.549 8.434 -0.024 392 HG2 GLU 48 1HG GLU 48 -0.369 10.736 0.545 393 HG3 GLU 48 2HG GLU 48 -2.063 10.819 1.058 394 H GLN 49 H GLN 49 -0.650 9.335 -3.171 395 HA GLN 49 HA GLN 49 -1.174 6.477 -3.877 396 HB2 GLN 49 1HB GLN 49 -0.551 8.869 -5.648 397 HB3 GLN 49 2HB GLN 49 -0.585 7.212 -6.245 398 HG2 GLN 49 1HG GLN 49 -2.850 7.064 -6.242 399 HG3 GLN 49 2HG GLN 49 -3.066 8.101 -4.826 400 HE21 GLN 49 1HE2 GLN 49 -3.915 7.982 -7.999 401 HE22 GLN 49 2HE2 GLN 49 -3.913 9.714 -8.314 402 H GLY 50 H GLY 50 0.674 5.354 -4.803 403 HA2 GLY 50 1HA GLY 50 3.101 5.880 -5.457 404 HA3 GLY 50 2HA GLY 50 3.250 6.463 -3.797 405 H LEU 51 H LEU 51 4.819 4.961 -3.366 406 HA LEU 51 HA LEU 51 4.368 2.177 -4.004 407 HB2 LEU 51 1HB LEU 51 6.710 3.888 -3.103 408 HB3 LEU 51 2HB LEU 51 6.834 2.140 -3.025 409 HG LEU 51 HG LEU 51 7.633 3.328 -5.207 410 HD11 LEU 51 1HD1 LEU 51 7.387 0.941 -5.069 411 HD12 LEU 51 2HD1 LEU 51 6.917 1.574 -6.642 412 HD13 LEU 51 3HD1 LEU 51 5.656 1.058 -5.479 413 HD21 LEU 51 3HD2 LEU 51 6.493 3.936 -6.770 414 HD22 LEU 51 1HD2 LEU 51 5.973 4.874 -5.364 415 HD23 LEU 51 2HD2 LEU 51 4.905 3.543 -5.977 416 H ILE 52 H ILE 52 4.306 0.484 -2.761 417 HA ILE 52 HA ILE 52 4.754 0.559 0.126 418 HB ILE 52 HB ILE 52 2.702 -0.546 0.730 419 HG12 ILE 52 1HG1 ILE 52 0.830 -0.554 -1.184 420 HG13 ILE 52 2HG1 ILE 52 2.264 -0.782 -2.208 421 HG21 ILE 52 1HG2 ILE 52 1.021 1.131 0.410 422 HG22 ILE 52 2HG2 ILE 52 2.584 1.956 0.602 423 HG23 ILE 52 3HG2 ILE 52 1.864 1.807 -0.996 424 HD11 ILE 52 3HD1 ILE 52 2.634 -2.915 -1.310 425 HD12 ILE 52 1HD1 ILE 52 1.878 -2.538 0.235 426 HD13 ILE 52 2HD1 ILE 52 0.853 -2.790 -1.167 427 H VAL 53 H VAL 53 5.149 -1.709 0.889 428 HA VAL 53 HA VAL 53 6.136 -3.423 -1.319 429 HB VAL 53 HB VAL 53 7.755 -2.492 0.315 430 HG11 VAL 53 1HG1 VAL 53 6.442 -4.325 2.357 431 HG12 VAL 53 2HG1 VAL 53 7.922 -3.373 2.577 432 HG13 VAL 53 3HG1 VAL 53 6.366 -2.551 2.357 433 HG21 VAL 53 3HG2 VAL 53 7.591 -5.522 0.343 434 HG22 VAL 53 1HG2 VAL 53 8.280 -4.518 -0.945 435 HG23 VAL 53 2HG2 VAL 53 9.025 -4.523 0.653 436 H GLU 54 H GLU 54 5.594 -5.633 -1.408 437 HA GLU 54 HA GLU 54 2.978 -6.306 -0.498 438 HB2 GLU 54 1HB GLU 54 3.389 -8.400 -1.615 439 HB3 GLU 54 2HB GLU 54 4.067 -7.080 -2.573 440 HG2 GLU 54 1HG GLU 54 6.343 -7.642 -1.532 441 HG3 GLU 54 2HG GLU 54 5.586 -9.060 -0.801 442 H ASP 55 H ASP 55 6.031 -6.600 1.039 443 HA ASP 55 HA ASP 55 5.776 -9.074 2.336 444 HB2 ASP 55 1HB ASP 55 7.845 -7.760 2.015 445 HB3 ASP 55 2HB ASP 55 7.304 -6.592 3.210 446 H LEU 56 H LEU 56 4.099 -6.247 3.013 447 HA LEU 56 HA LEU 56 3.754 -6.813 5.931 448 HB2 LEU 56 1HB LEU 56 3.954 -4.176 4.450 449 HB3 LEU 56 2HB LEU 56 3.674 -4.326 6.173 450 HG LEU 56 HG LEU 56 6.160 -5.435 4.833 451 HD11 LEU 56 1HD1 LEU 56 5.992 -2.847 6.398 452 HD12 LEU 56 2HD1 LEU 56 5.919 -2.924 4.641 453 HD13 LEU 56 3HD1 LEU 56 7.364 -3.506 5.452 454 HD21 LEU 56 3HD2 LEU 56 7.057 -5.553 7.104 455 HD22 LEU 56 1HD2 LEU 56 5.564 -6.461 7.030 456 HD23 LEU 56 2HD2 LEU 56 5.559 -4.862 7.775 457 H VAL 57 H VAL 57 1.859 -7.209 3.336 458 HA VAL 57 HA VAL 57 -0.510 -5.843 4.526 459 HB VAL 57 HB VAL 57 -1.420 -5.943 2.254 460 HG11 VAL 57 1HG1 VAL 57 -0.380 -3.897 3.154 461 HG12 VAL 57 2HG1 VAL 57 1.166 -4.375 2.421 462 HG13 VAL 57 3HG1 VAL 57 -0.242 -4.020 1.390 463 HG21 VAL 57 3HG2 VAL 57 0.081 -7.753 1.311 464 HG22 VAL 57 1HG2 VAL 57 -0.002 -6.308 0.296 465 HG23 VAL 57 2HG2 VAL 57 1.403 -6.569 1.317 466 H GLU 58 H GLU 58 -2.595 -7.006 3.916 467 HA GLU 58 HA GLU 58 -2.346 -9.968 3.758 468 HB2 GLU 58 1HB GLU 58 -4.343 -10.193 5.076 469 HB3 GLU 58 2HB GLU 58 -3.219 -9.243 6.045 470 HG2 GLU 58 1HG GLU 58 -4.466 -7.191 5.539 471 HG3 GLU 58 2HG GLU 58 -5.492 -8.040 4.377 472 H GLU 59 H GLU 59 -3.583 -10.982 2.452 473 HA GLU 59 HA GLU 59 -4.907 -9.663 0.282 474 HB2 GLU 59 1HB GLU 59 -4.345 -12.443 1.232 475 HB3 GLU 59 2HB GLU 59 -5.922 -12.276 0.448 476 HG2 GLU 59 1HG GLU 59 -3.649 -10.946 -0.993 477 HG3 GLU 59 2HG GLU 59 -3.575 -12.690 -0.848 478 H VAL 60 H VAL 60 -6.682 -8.527 0.595 479 HA VAL 60 HA VAL 60 -8.811 -9.719 2.256 480 HB VAL 60 HB VAL 60 -7.873 -7.618 3.216 481 HG11 VAL 60 1HG1 VAL 60 -7.225 -6.367 1.231 482 HG12 VAL 60 2HG1 VAL 60 -8.906 -6.291 0.665 483 HG13 VAL 60 3HG1 VAL 60 -8.417 -5.434 2.138 484 HG21 VAL 60 3HG2 VAL 60 -10.148 -8.264 3.677 485 HG22 VAL 60 1HG2 VAL 60 -9.981 -6.494 3.577 486 HG23 VAL 60 2HG2 VAL 60 -10.693 -7.404 2.216 487 H GLY 61 H GLY 61 -10.933 -9.368 1.222 488 HA2 GLY 61 1HA GLY 61 -10.838 -9.256 -1.767 489 HA3 GLY 61 2HA GLY 61 -12.242 -9.651 -0.773 490 H ARG 62 H ARG 62 -13.068 -8.035 0.608 491 HA ARG 62 HA ARG 62 -14.317 -6.259 0.795 492 HB2 ARG 62 1HB ARG 62 -12.147 -5.913 2.052 493 HB3 ARG 62 2HB ARG 62 -11.683 -4.730 0.818 494 HG2 ARG 62 1HG ARG 62 -13.581 -3.352 1.391 495 HG3 ARG 62 2HG ARG 62 -14.351 -4.687 2.289 496 HD2 ARG 62 1HD ARG 62 -11.680 -3.494 3.138 497 HD3 ARG 62 2HD ARG 62 -13.265 -2.855 3.679 498 HE ARG 62 HE ARG 62 -12.944 -5.717 4.080 499 HH11 ARG 62 1HH1 ARG 62 -12.479 -2.484 5.515 500 HH12 ARG 62 2HH1 ARG 62 -12.558 -3.067 7.146 501 HH21 ARG 62 1HH2 ARG 62 -12.879 -6.488 6.318 502 HH22 ARG 62 2HH2 ARG 62 -12.476 -5.341 7.550 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -6.247 -0.786 -11.564 2 HA2 GLY 1 1HA GLY 1 -7.385 -2.834 -12.309 3 HA3 GLY 1 2HA GLY 1 -5.858 -3.185 -11.474 4 H ARG 2 H ARG 2 -7.976 -5.024 -11.677 5 HA ARG 2 HA ARG 2 -9.785 -4.959 -9.434 6 HB2 ARG 2 1HB ARG 2 -10.635 -6.990 -10.391 7 HB3 ARG 2 2HB ARG 2 -10.308 -5.842 -11.678 8 HG2 ARG 2 1HG ARG 2 -7.911 -7.341 -11.488 9 HG3 ARG 2 2HG ARG 2 -9.182 -8.526 -11.177 10 HD2 ARG 2 1HD ARG 2 -10.324 -7.606 -13.283 11 HD3 ARG 2 2HD ARG 2 -8.786 -6.753 -13.602 12 HE ARG 2 HE ARG 2 -8.157 -9.422 -13.065 13 HH11 ARG 2 1HH1 ARG 2 -9.673 -7.528 -15.623 14 HH12 ARG 2 2HH1 ARG 2 -9.679 -8.803 -16.804 15 HH21 ARG 2 1HH2 ARG 2 -8.414 -11.157 -14.398 16 HH22 ARG 2 2HH2 ARG 2 -8.940 -11.013 -16.066 17 H ARG 3 H ARG 3 -7.455 -4.785 -8.034 18 HA ARG 3 HA ARG 3 -7.813 -7.080 -6.396 19 HB2 ARG 3 1HB ARG 3 -5.648 -7.298 -8.159 20 HB3 ARG 3 2HB ARG 3 -4.887 -6.592 -6.753 21 HG2 ARG 3 1HG ARG 3 -6.689 -8.997 -6.552 22 HG3 ARG 3 2HG ARG 3 -4.997 -9.158 -6.988 23 HD2 ARG 3 1HD ARG 3 -4.271 -8.938 -4.883 24 HD3 ARG 3 2HD ARG 3 -5.207 -7.471 -4.641 25 HE ARG 3 HE ARG 3 -6.710 -8.764 -3.395 26 HH11 ARG 3 1HH1 ARG 3 -4.597 -11.035 -4.898 27 HH12 ARG 3 2HH1 ARG 3 -5.623 -12.367 -4.927 28 HH21 ARG 3 1HH2 ARG 3 -7.963 -10.556 -2.956 29 HH22 ARG 3 2HH2 ARG 3 -7.647 -12.128 -3.683 30 H ARG 4 H ARG 4 -6.866 -6.550 -4.146 31 HA ARG 4 HA ARG 4 -5.961 -3.808 -3.765 32 HB2 ARG 4 1HB ARG 4 -8.436 -4.883 -2.311 33 HB3 ARG 4 2HB ARG 4 -7.680 -3.303 -2.098 34 HG2 ARG 4 1HG ARG 4 -8.275 -2.840 -4.564 35 HG3 ARG 4 2HG ARG 4 -9.248 -4.321 -4.499 36 HD2 ARG 4 1HD ARG 4 -10.529 -3.298 -2.603 37 HD3 ARG 4 2HD ARG 4 -9.569 -1.812 -2.856 38 HE ARG 4 HE ARG 4 -11.111 -2.927 -5.112 39 HH11 ARG 4 1HH1 ARG 4 -10.917 -0.451 -2.599 40 HH12 ARG 4 2HH1 ARG 4 -11.870 0.726 -3.444 41 HH21 ARG 4 1HH2 ARG 4 -12.359 -1.480 -6.232 42 HH22 ARG 4 2HH2 ARG 4 -12.771 0.102 -5.637 43 H VAL 5 H VAL 5 -4.780 -3.632 -1.762 44 HA VAL 5 HA VAL 5 -4.772 -6.067 -0.070 45 HB VAL 5 HB VAL 5 -2.542 -5.630 0.649 46 HG11 VAL 5 1HG1 VAL 5 -2.522 -5.655 -2.376 47 HG12 VAL 5 2HG1 VAL 5 -1.310 -6.336 -1.272 48 HG13 VAL 5 3HG1 VAL 5 -2.894 -7.079 -1.357 49 HG21 VAL 5 3HG2 VAL 5 -2.265 -3.414 -1.387 50 HG22 VAL 5 1HG2 VAL 5 -2.456 -3.158 0.339 51 HG23 VAL 5 2HG2 VAL 5 -1.028 -4.033 -0.295 52 H ARG 6 H ARG 6 -4.148 -5.666 2.155 53 HA ARG 6 HA ARG 6 -5.456 -3.246 3.327 54 HB2 ARG 6 1HB ARG 6 -7.032 -5.068 3.379 55 HB3 ARG 6 2HB ARG 6 -5.811 -6.222 3.825 56 HG2 ARG 6 1HG ARG 6 -5.669 -5.509 6.030 57 HG3 ARG 6 2HG ARG 6 -6.366 -3.914 5.689 58 HD2 ARG 6 1HD ARG 6 -7.994 -6.435 5.223 59 HD3 ARG 6 2HD ARG 6 -7.820 -5.785 6.845 60 HE ARG 6 HE ARG 6 -9.309 -4.612 4.608 61 HH11 ARG 6 1HH1 ARG 6 -7.734 -3.892 7.760 62 HH12 ARG 6 2HH1 ARG 6 -8.787 -2.537 8.085 63 HH21 ARG 6 1HH2 ARG 6 -10.808 -2.844 5.262 64 HH22 ARG 6 2HH2 ARG 6 -10.522 -2.049 6.782 65 H ALA 7 H ALA 7 -4.187 -2.428 5.125 66 HA ALA 7 HA ALA 7 -1.462 -3.537 5.382 67 HB1 ALA 7 1HB ALA 7 -1.179 -1.611 6.936 68 HB2 ALA 7 2HB ALA 7 -1.892 -1.050 5.421 69 HB3 ALA 7 3HB ALA 7 -2.912 -1.251 6.849 70 H ILE 8 H ILE 8 -0.749 -4.665 7.019 71 HA ILE 8 HA ILE 8 -2.623 -5.162 9.325 72 HB ILE 8 HB ILE 8 -1.935 -7.301 9.648 73 HG12 ILE 8 1HG1 ILE 8 0.536 -6.853 8.804 74 HG13 ILE 8 2HG1 ILE 8 -0.166 -8.450 8.979 75 HG21 ILE 8 1HG2 ILE 8 -3.693 -6.940 7.986 76 HG22 ILE 8 2HG2 ILE 8 -2.511 -7.040 6.679 77 HG23 ILE 8 3HG2 ILE 8 -2.803 -8.444 7.713 78 HD11 ILE 8 3HD1 ILE 8 -0.158 -6.936 6.377 79 HD12 ILE 8 1HD1 ILE 8 1.137 -8.063 6.866 80 HD13 ILE 8 2HD1 ILE 8 -0.517 -8.658 6.625 81 H LEU 9 H LEU 9 0.065 -3.460 8.574 82 HA LEU 9 HA LEU 9 0.936 -3.170 11.379 83 HB2 LEU 9 1HB LEU 9 2.608 -4.202 9.065 84 HB3 LEU 9 2HB LEU 9 3.364 -3.188 10.278 85 HG LEU 9 HG LEU 9 1.820 -5.660 11.142 86 HD11 LEU 9 1HD1 LEU 9 3.880 -6.945 11.073 87 HD12 LEU 9 2HD1 LEU 9 4.733 -5.577 10.319 88 HD13 LEU 9 3HD1 LEU 9 3.418 -6.419 9.454 89 HD21 LEU 9 3HD2 LEU 9 3.385 -5.566 13.055 90 HD22 LEU 9 1HD2 LEU 9 2.450 -4.075 12.915 91 HD23 LEU 9 2HD2 LEU 9 4.141 -4.108 12.369 92 HA PRO 10 HA PRO 10 1.383 0.962 9.652 93 HB2 PRO 10 1HB PRO 10 2.719 2.210 11.688 94 HB3 PRO 10 2HB PRO 10 1.046 1.634 11.896 95 HG2 PRO 10 1HG PRO 10 3.617 0.190 12.663 96 HG3 PRO 10 2HG PRO 10 2.186 0.492 13.692 97 HD2 PRO 10 1HD PRO 10 2.707 -1.816 12.316 98 HD3 PRO 10 2HD PRO 10 1.035 -1.246 12.622 99 H TYR 11 H TYR 11 3.090 2.610 9.081 100 HA TYR 11 HA TYR 11 5.873 1.745 9.027 101 HB2 TYR 11 1HB TYR 11 4.875 0.463 7.175 102 HB3 TYR 11 2HB TYR 11 4.060 1.912 6.599 103 HD1 TYR 11 2HD TYR 11 7.554 0.683 7.352 104 HD2 TYR 11 1HD TYR 11 5.000 3.055 4.783 105 HE1 TYR 11 2HE TYR 11 9.496 1.287 5.959 106 HE2 TYR 11 1HE TYR 11 6.922 3.619 3.379 107 HH TYR 11 HH TYR 11 10.226 2.425 4.130 108 H THR 12 H THR 12 7.286 3.498 8.367 109 HA THR 12 HA THR 12 6.010 6.068 7.689 110 HB THR 12 HB THR 12 6.959 6.171 9.991 111 HG1 THR 12 1HG THR 12 8.586 7.925 8.844 112 HG21 THR 12 3HG2 THR 12 8.979 4.740 9.517 113 HG22 THR 12 1HG2 THR 12 9.369 6.315 10.250 114 HG23 THR 12 2HG2 THR 12 9.592 6.065 8.493 115 H LYS 13 H LYS 13 6.717 6.885 5.937 116 HA LYS 13 HA LYS 13 8.608 5.345 4.207 117 HB2 LYS 13 1HB LYS 13 7.500 6.243 2.333 118 HB3 LYS 13 2HB LYS 13 6.246 5.861 3.491 119 HG2 LYS 13 1HG LYS 13 5.465 7.973 3.129 120 HG3 LYS 13 2HG LYS 13 6.786 8.469 4.150 121 HD2 LYS 13 1HD LYS 13 8.163 8.569 1.935 122 HD3 LYS 13 2HD LYS 13 6.642 8.388 1.117 123 HE2 LYS 13 1HE LYS 13 7.296 10.749 1.264 124 HE3 LYS 13 2HE LYS 13 5.767 10.390 2.067 125 HZ1 LYS 13 3HZ LYS 13 7.102 11.859 3.389 126 HZ2 LYS 13 1HZ LYS 13 8.332 10.777 3.460 127 HZ3 LYS 13 2HZ LYS 13 6.866 10.463 4.181 128 H VAL 14 H VAL 14 9.902 6.750 2.594 129 HA VAL 14 HA VAL 14 11.349 8.711 4.283 130 HB VAL 14 HB VAL 14 12.266 7.028 1.923 131 HG11 VAL 14 1HG1 VAL 14 13.840 8.946 3.714 132 HG12 VAL 14 2HG1 VAL 14 14.538 7.832 2.526 133 HG13 VAL 14 3HG1 VAL 14 13.514 9.151 1.978 134 HG21 VAL 14 3HG2 VAL 14 12.965 6.880 4.908 135 HG22 VAL 14 1HG2 VAL 14 11.908 5.740 4.047 136 HG23 VAL 14 2HG2 VAL 14 13.598 5.846 3.610 137 HA PRO 15 HA PRO 15 9.468 11.683 1.422 138 HB2 PRO 15 1HB PRO 15 10.938 13.900 2.228 139 HB3 PRO 15 2HB PRO 15 9.479 13.305 3.042 140 HG2 PRO 15 1HG PRO 15 12.370 12.824 3.752 141 HG3 PRO 15 2HG PRO 15 10.995 13.147 4.860 142 HD2 PRO 15 1HD PRO 15 11.989 10.675 4.444 143 HD3 PRO 15 2HD PRO 15 10.247 10.956 4.778 144 H ASP 16 H ASP 16 10.318 13.152 -0.202 145 HA ASP 16 HA ASP 16 11.570 13.734 -1.974 146 HB2 ASP 16 1HB ASP 16 13.556 13.508 -0.212 147 HB3 ASP 16 2HB ASP 16 13.988 12.118 -1.203 148 H THR 17 H THR 17 10.777 10.563 -1.145 149 HA THR 17 HA THR 17 11.638 9.449 -3.757 150 HB THR 17 HB THR 17 11.598 7.298 -2.779 151 HG1 THR 17 1HG THR 17 10.618 8.302 -0.313 152 HG21 THR 17 3HG2 THR 17 13.597 8.643 -2.103 153 HG22 THR 17 1HG2 THR 17 13.171 7.343 -0.971 154 HG23 THR 17 2HG2 THR 17 12.784 9.027 -0.571 155 H ASP 18 H ASP 18 10.112 7.538 -4.466 156 HA ASP 18 HA ASP 18 7.493 8.717 -4.959 157 HB2 ASP 18 1HB ASP 18 8.935 6.231 -5.964 158 HB3 ASP 18 2HB ASP 18 7.254 6.563 -6.367 159 H GLU 19 H GLU 19 8.480 7.283 -2.269 160 HA GLU 19 HA GLU 19 6.617 5.081 -1.897 161 HB2 GLU 19 1HB GLU 19 8.403 6.610 0.049 162 HB3 GLU 19 2HB GLU 19 7.572 5.085 0.391 163 HG2 GLU 19 1HG GLU 19 8.861 3.886 -1.269 164 HG3 GLU 19 2HG GLU 19 9.608 5.361 -1.850 165 H ILE 20 H ILE 20 5.342 5.133 0.313 166 HA ILE 20 HA ILE 20 4.210 7.665 1.118 167 HB ILE 20 HB ILE 20 1.842 6.586 0.906 168 HG12 ILE 20 1HG1 ILE 20 3.176 5.009 -1.350 169 HG13 ILE 20 2HG1 ILE 20 2.710 4.311 0.200 170 HG21 ILE 20 1HG2 ILE 20 1.446 7.629 -1.215 171 HG22 ILE 20 2HG2 ILE 20 2.673 8.569 -0.373 172 HG23 ILE 20 3HG2 ILE 20 3.141 7.471 -1.692 173 HD11 ILE 20 3HD1 ILE 20 0.852 5.497 -1.900 174 HD12 ILE 20 1HD1 ILE 20 0.998 3.809 -1.392 175 HD13 ILE 20 2HD1 ILE 20 0.343 5.019 -0.272 176 H SER 21 H SER 21 2.913 7.360 3.175 177 HA SER 21 HA SER 21 3.955 5.032 4.689 178 HB2 SER 21 1HB SER 21 3.944 6.669 6.600 179 HB3 SER 21 2HB SER 21 5.111 7.013 5.318 180 HG SER 21 HG SER 21 4.263 8.914 5.403 181 H PHE 22 H PHE 22 2.642 4.385 6.539 182 HA PHE 22 HA PHE 22 -0.249 4.897 6.276 183 HB2 PHE 22 1HB PHE 22 -0.822 2.618 5.526 184 HB3 PHE 22 2HB PHE 22 0.110 3.501 4.329 185 HD1 PHE 22 1HD PHE 22 2.406 2.939 3.747 186 HD2 PHE 22 2HD PHE 22 0.169 0.589 6.604 187 HE1 PHE 22 1HE PHE 22 4.033 1.136 3.540 188 HE2 PHE 22 2HE PHE 22 1.803 -1.253 6.337 189 HZ PHE 22 HZ PHE 22 3.754 -0.996 4.824 190 H LEU 23 H LEU 23 -1.550 3.198 7.629 191 HA LEU 23 HA LEU 23 0.050 2.431 10.033 192 HB2 LEU 23 1HB LEU 23 -2.514 3.980 9.845 193 HB3 LEU 23 2HB LEU 23 -2.018 3.172 11.321 194 HG LEU 23 HG LEU 23 0.167 4.825 10.167 195 HD11 LEU 23 1HD1 LEU 23 -2.408 6.254 10.896 196 HD12 LEU 23 2HD1 LEU 23 -1.649 6.185 9.294 197 HD13 LEU 23 3HD1 LEU 23 -0.823 7.007 10.618 198 HD21 LEU 23 3HD2 LEU 23 0.196 3.954 12.429 199 HD22 LEU 23 1HD2 LEU 23 -1.265 4.890 12.843 200 HD23 LEU 23 2HD2 LEU 23 0.258 5.716 12.430 201 H LYS 24 H LYS 24 -1.192 0.759 11.391 202 HA LYS 24 HA LYS 24 -1.946 -1.460 9.743 203 HB2 LYS 24 1HB LYS 24 -1.025 -1.743 12.005 204 HB3 LYS 24 2HB LYS 24 -2.402 -0.889 12.707 205 HG2 LYS 24 1HG LYS 24 -3.920 -2.678 12.025 206 HG3 LYS 24 2HG LYS 24 -2.616 -3.514 11.189 207 HD2 LYS 24 1HD LYS 24 -1.436 -3.767 13.421 208 HD3 LYS 24 2HD LYS 24 -2.833 -2.982 14.177 209 HE2 LYS 24 1HE LYS 24 -4.187 -4.865 12.835 210 HE3 LYS 24 2HE LYS 24 -2.619 -5.668 12.808 211 HZ1 LYS 24 3HZ LYS 24 -4.246 -4.937 15.150 212 HZ2 LYS 24 1HZ LYS 24 -2.678 -5.503 15.309 213 HZ3 LYS 24 2HZ LYS 24 -3.882 -6.419 14.678 214 H GLY 25 H GLY 25 -4.051 -2.264 9.184 215 HA2 GLY 25 1HA GLY 25 -6.354 -2.331 9.192 216 HA3 GLY 25 2HA GLY 25 -6.415 -0.953 10.285 217 H ASP 26 H ASP 26 -4.393 0.220 7.959 218 HA ASP 26 HA ASP 26 -6.519 1.555 6.464 219 HB2 ASP 26 1HB ASP 26 -3.479 1.559 6.271 220 HB3 ASP 26 2HB ASP 26 -4.480 2.307 5.053 221 H MET 27 H MET 27 -6.253 1.542 4.041 222 HA MET 27 HA MET 27 -6.037 -1.218 2.971 223 HB2 MET 27 1HB MET 27 -8.324 0.727 2.965 224 HB3 MET 27 2HB MET 27 -8.097 -0.246 1.541 225 HG2 MET 27 1HG MET 27 -8.292 -1.418 4.320 226 HG3 MET 27 2HG MET 27 -9.644 -1.167 3.201 227 HE1 MET 27 3HE MET 27 -7.897 -2.227 0.363 228 HE2 MET 27 1HE MET 27 -8.808 -3.742 0.291 229 HE3 MET 27 2HE MET 27 -9.651 -2.219 0.657 230 H PHE 28 H PHE 28 -5.954 -1.231 0.738 231 HA PHE 28 HA PHE 28 -5.075 1.253 -0.599 232 HB2 PHE 28 1HB PHE 28 -3.556 -1.373 -0.547 233 HB3 PHE 28 2HB PHE 28 -3.156 -0.050 -1.614 234 HD1 PHE 28 2HD PHE 28 -3.195 -1.086 1.945 235 HD2 PHE 28 1HD PHE 28 -2.037 1.942 -0.871 236 HE1 PHE 28 2HE PHE 28 -1.394 -0.323 3.507 237 HE2 PHE 28 1HE PHE 28 -0.264 2.719 0.693 238 HZ PHE 28 HZ PHE 28 0.098 1.549 2.824 239 H ILE 29 H ILE 29 -4.606 0.406 -3.077 240 HA ILE 29 HA ILE 29 -6.472 -1.639 -3.946 241 HB ILE 29 HB ILE 29 -7.500 -0.287 -5.626 242 HG12 ILE 29 1HG1 ILE 29 -5.836 2.069 -4.611 243 HG13 ILE 29 2HG1 ILE 29 -5.725 1.284 -6.203 244 HG21 ILE 29 1HG2 ILE 29 -7.813 1.365 -3.102 245 HG22 ILE 29 2HG2 ILE 29 -9.031 1.032 -4.364 246 HG23 ILE 29 3HG2 ILE 29 -8.471 -0.252 -3.311 247 HD11 ILE 29 3HD1 ILE 29 -8.001 2.921 -5.126 248 HD12 ILE 29 1HD1 ILE 29 -6.966 3.229 -6.549 249 HD13 ILE 29 2HD1 ILE 29 -8.148 1.877 -6.552 250 H VAL 30 H VAL 30 -5.678 -2.571 -6.009 251 HA VAL 30 HA VAL 30 -2.909 -1.934 -6.520 252 HB VAL 30 HB VAL 30 -4.915 -3.891 -7.731 253 HG11 VAL 30 1HG1 VAL 30 -2.005 -3.640 -8.578 254 HG12 VAL 30 2HG1 VAL 30 -3.148 -4.909 -9.036 255 HG13 VAL 30 3HG1 VAL 30 -3.414 -3.257 -9.585 256 HG21 VAL 30 3HG2 VAL 30 -2.537 -4.061 -5.880 257 HG22 VAL 30 1HG2 VAL 30 -4.179 -4.643 -5.633 258 HG23 VAL 30 2HG2 VAL 30 -3.083 -5.450 -6.781 259 H HIS 31 H HIS 31 -2.082 -0.583 -7.958 260 HA HIS 31 HA HIS 31 -3.804 0.423 -10.186 261 HB2 HIS 31 1HB HIS 31 -2.097 1.918 -8.228 262 HB3 HIS 31 2HB HIS 31 -1.904 2.349 -9.917 263 HD1 HIS 31 1HD HIS 31 -4.608 2.693 -11.172 264 HD2 HIS 31 2HD HIS 31 -3.761 3.572 -7.125 265 HE1 HIS 31 1HE HIS 31 -6.361 4.356 -10.410 266 H ASN 32 H ASN 32 -0.437 -0.415 -9.074 267 HA ASN 32 HA ASN 32 -0.050 -1.591 -11.733 268 HB2 ASN 32 1HB ASN 32 0.986 0.855 -11.506 269 HB3 ASN 32 2HB ASN 32 2.270 0.023 -10.664 270 HD21 ASN 32 1HD2 ASN 32 3.850 -0.986 -12.029 271 HD22 ASN 32 2HD2 ASN 32 3.662 -1.085 -13.739 272 H GLU 33 H GLU 33 1.965 -2.750 -11.757 273 HA GLU 33 HA GLU 33 2.734 -4.108 -9.218 274 HB2 GLU 33 1HB GLU 33 1.427 -5.426 -11.630 275 HB3 GLU 33 2HB GLU 33 2.384 -6.324 -10.440 276 HG2 GLU 33 1HG GLU 33 0.891 -5.807 -8.679 277 HG3 GLU 33 2HG GLU 33 0.048 -4.568 -9.589 278 H LEU 34 H LEU 34 4.859 -4.210 -9.205 279 HA LEU 34 HA LEU 34 6.412 -3.847 -11.718 280 HB2 LEU 34 1HB LEU 34 7.163 -3.174 -8.865 281 HB3 LEU 34 2HB LEU 34 8.124 -2.833 -10.278 282 HG LEU 34 HG LEU 34 5.388 -1.693 -10.530 283 HD11 LEU 34 1HD1 LEU 34 5.640 0.078 -8.900 284 HD12 LEU 34 2HD1 LEU 34 7.143 -0.669 -8.278 285 HD13 LEU 34 3HD1 LEU 34 5.597 -1.493 -8.097 286 HD21 LEU 34 3HD2 LEU 34 6.607 0.293 -11.156 287 HD22 LEU 34 1HD2 LEU 34 7.234 -1.131 -12.013 288 HD23 LEU 34 2HD2 LEU 34 8.153 -0.456 -10.642 289 H GLU 35 H GLU 35 8.928 -4.645 -10.678 290 HA GLU 35 HA GLU 35 8.601 -7.547 -10.056 291 HB2 GLU 35 1HB GLU 35 9.963 -6.114 -12.326 292 HB3 GLU 35 2HB GLU 35 10.571 -7.657 -11.792 293 HG2 GLU 35 1HG GLU 35 7.633 -7.322 -12.492 294 HG3 GLU 35 2HG GLU 35 8.860 -7.596 -13.722 295 H ASP 36 H ASP 36 9.051 -6.422 -7.941 296 HA ASP 36 HA ASP 36 11.864 -6.796 -7.272 297 HB2 ASP 36 1HB ASP 36 11.398 -4.325 -8.177 298 HB3 ASP 36 2HB ASP 36 10.869 -4.034 -6.539 299 H GLY 37 H GLY 37 8.745 -7.276 -6.471 300 HA2 GLY 37 1HA GLY 37 7.694 -7.957 -4.544 301 HA3 GLY 37 2HA GLY 37 9.010 -7.440 -3.512 302 H TRP 38 H TRP 38 7.838 -5.251 -5.930 303 HA TRP 38 HA TRP 38 6.642 -3.487 -3.864 304 HB2 TRP 38 1HB TRP 38 8.691 -2.949 -6.046 305 HB3 TRP 38 2HB TRP 38 7.688 -1.660 -5.374 306 HD1 TRP 38 HD TRP 38 10.666 -3.885 -4.388 307 HE1 TRP 38 1HE TRP 38 11.601 -3.125 -2.170 308 HE3 TRP 38 3HE TRP 38 7.084 -0.496 -3.209 309 HZ2 TRP 38 2HZ TRP 38 10.766 -1.362 0.018 310 HZ3 TRP 38 3HZ TRP 38 7.075 0.653 -1.015 311 HH2 TRP 38 HH TRP 38 8.881 0.183 0.618 312 H MET 39 H MET 39 4.874 -2.247 -4.496 313 HA MET 39 HA MET 39 3.811 -2.566 -7.265 314 HB2 MET 39 1HB MET 39 2.025 -2.983 -4.878 315 HB3 MET 39 2HB MET 39 1.726 -3.339 -6.563 316 HG2 MET 39 1HG MET 39 2.355 -5.436 -6.368 317 HG3 MET 39 2HG MET 39 3.893 -5.042 -5.641 318 HE1 MET 39 3HE MET 39 3.499 -3.645 -3.123 319 HE2 MET 39 1HE MET 39 3.111 -4.828 -1.851 320 HE3 MET 39 2HE MET 39 4.420 -5.170 -3.013 321 H TRP 40 H TRP 40 2.508 -0.767 -7.922 322 HA TRP 40 HA TRP 40 2.503 1.597 -6.148 323 HB2 TRP 40 1HB TRP 40 3.156 1.636 -8.621 324 HB3 TRP 40 2HB TRP 40 1.452 1.397 -8.980 325 HD1 TRP 40 HD TRP 40 -0.239 3.470 -8.002 326 HE1 TRP 40 1HE TRP 40 0.183 5.974 -7.960 327 HE3 TRP 40 3HE TRP 40 4.814 3.316 -8.369 328 HZ2 TRP 40 2HZ TRP 40 2.548 7.743 -8.080 329 HZ3 TRP 40 3HZ TRP 40 6.164 5.429 -8.445 330 HH2 TRP 40 HH TRP 40 5.030 7.619 -8.309 331 H VAL 41 H VAL 41 0.697 2.500 -5.262 332 HA VAL 41 HA VAL 41 -2.002 1.374 -5.806 333 HB VAL 41 HB VAL 41 -2.216 0.934 -3.387 334 HG11 VAL 41 1HG1 VAL 41 -1.038 -1.119 -3.203 335 HG12 VAL 41 2HG1 VAL 41 -1.473 -0.923 -4.911 336 HG13 VAL 41 3HG1 VAL 41 0.186 -0.624 -4.387 337 HG21 VAL 41 3HG2 VAL 41 0.778 1.514 -3.210 338 HG22 VAL 41 1HG2 VAL 41 -0.507 2.510 -2.522 339 HG23 VAL 41 2HG2 VAL 41 -0.236 0.865 -1.918 340 H THR 42 H THR 42 -3.492 2.523 -3.961 341 HA THR 42 HA THR 42 -2.573 5.256 -3.380 342 HB THR 42 HB THR 42 -5.474 4.532 -3.982 343 HG1 THR 42 1HG THR 42 -3.456 5.590 -5.583 344 HG21 THR 42 3HG2 THR 42 -5.267 6.379 -2.385 345 HG22 THR 42 1HG2 THR 42 -5.804 7.007 -3.944 346 HG23 THR 42 2HG2 THR 42 -4.120 7.214 -3.438 347 H ASN 43 H ASN 43 -2.707 5.608 -1.217 348 HA ASN 43 HA ASN 43 -3.596 3.473 0.610 349 HB2 ASN 43 1HB ASN 43 -1.404 4.684 0.895 350 HB3 ASN 43 2HB ASN 43 -2.292 6.170 1.114 351 HD21 ASN 43 1HD2 ASN 43 -4.211 3.817 2.819 352 HD22 ASN 43 2HD2 ASN 43 -3.346 4.068 4.315 353 H LEU 44 H LEU 44 -5.760 3.509 0.959 354 HA LEU 44 HA LEU 44 -7.298 5.931 0.579 355 HB2 LEU 44 1HB LEU 44 -8.205 3.288 1.725 356 HB3 LEU 44 2HB LEU 44 -9.219 4.582 1.086 357 HG LEU 44 HG LEU 44 -7.509 2.605 -0.424 358 HD11 LEU 44 1HD1 LEU 44 -10.315 3.687 -0.847 359 HD12 LEU 44 2HD1 LEU 44 -9.945 2.218 0.047 360 HD13 LEU 44 3HD1 LEU 44 -9.590 2.343 -1.717 361 HD21 LEU 44 3HD2 LEU 44 -8.468 5.254 -1.590 362 HD22 LEU 44 1HD2 LEU 44 -7.905 3.868 -2.543 363 HD23 LEU 44 2HD2 LEU 44 -6.789 4.699 -1.467 364 H ARG 45 H ARG 45 -5.298 5.735 2.978 365 HA ARG 45 HA ARG 45 -6.998 6.458 5.218 366 HB2 ARG 45 1HB ARG 45 -5.069 7.090 6.313 367 HB3 ARG 45 2HB ARG 45 -4.593 5.644 5.426 368 HG2 ARG 45 1HG ARG 45 -3.480 7.148 3.734 369 HG3 ARG 45 2HG ARG 45 -3.882 8.526 4.769 370 HD2 ARG 45 1HD ARG 45 -2.340 6.195 5.896 371 HD3 ARG 45 2HD ARG 45 -1.530 7.435 4.978 372 HE ARG 45 HE ARG 45 -3.075 7.861 7.509 373 HH11 ARG 45 1HH1 ARG 45 -0.798 9.283 5.101 374 HH12 ARG 45 2HH1 ARG 45 -0.064 10.330 6.256 375 HH21 ARG 45 1HH2 ARG 45 -2.165 9.476 8.966 376 HH22 ARG 45 2HH2 ARG 45 -0.848 10.437 8.394 377 H THR 46 H THR 46 -5.516 8.062 2.377 378 HA THR 46 HA THR 46 -7.102 10.416 2.785 379 HB THR 46 HB THR 46 -5.303 10.491 4.616 380 HG1 THR 46 1HG THR 46 -5.450 12.687 2.830 381 HG21 THR 46 3HG2 THR 46 -3.478 9.763 2.957 382 HG22 THR 46 1HG2 THR 46 -3.107 10.983 4.192 383 HG23 THR 46 2HG2 THR 46 -3.425 11.493 2.519 384 H ASP 47 H ASP 47 -6.001 8.425 0.570 385 HA ASP 47 HA ASP 47 -5.803 8.563 -1.642 386 HB2 ASP 47 1HB ASP 47 -7.368 10.555 -1.393 387 HB3 ASP 47 2HB ASP 47 -5.945 11.598 -1.487 388 H GLU 48 H GLU 48 -3.462 8.955 0.295 389 HA GLU 48 HA GLU 48 -1.357 10.223 -1.239 390 HB2 GLU 48 1HB GLU 48 -1.502 8.241 1.052 391 HB3 GLU 48 2HB GLU 48 0.051 8.611 0.291 392 HG2 GLU 48 1HG GLU 48 -0.123 10.929 0.772 393 HG3 GLU 48 2HG GLU 48 -1.801 10.804 1.267 394 H GLN 49 H GLN 49 -0.105 9.372 -2.886 395 HA GLN 49 HA GLN 49 -0.816 6.638 -3.877 396 HB2 GLN 49 1HB GLN 49 -0.313 9.251 -5.354 397 HB3 GLN 49 2HB GLN 49 -0.455 7.688 -6.167 398 HG2 GLN 49 1HG GLN 49 -2.748 7.471 -5.587 399 HG3 GLN 49 2HG GLN 49 -2.685 8.788 -4.425 400 HE21 GLN 49 1HE2 GLN 49 -4.566 8.568 -6.650 401 HE22 GLN 49 2HE2 GLN 49 -4.270 9.989 -7.637 402 H GLY 50 H GLY 50 0.913 5.419 -4.698 403 HA2 GLY 50 1HA GLY 50 3.427 5.973 -5.441 404 HA3 GLY 50 2HA GLY 50 3.512 6.310 -3.703 405 H LEU 51 H LEU 51 5.017 4.623 -3.646 406 HA LEU 51 HA LEU 51 4.213 1.923 -4.430 407 HB2 LEU 51 1HB LEU 51 6.801 3.253 -3.510 408 HB3 LEU 51 2HB LEU 51 6.711 1.545 -3.895 409 HG LEU 51 HG LEU 51 5.839 3.662 -5.896 410 HD11 LEU 51 1HD1 LEU 51 8.168 4.108 -5.337 411 HD12 LEU 51 2HD1 LEU 51 8.036 3.430 -6.964 412 HD13 LEU 51 3HD1 LEU 51 8.587 2.409 -5.611 413 HD21 LEU 51 3HD2 LEU 51 6.673 0.743 -6.161 414 HD22 LEU 51 1HD2 LEU 51 6.266 1.830 -7.503 415 HD23 LEU 51 2HD2 LEU 51 5.022 1.376 -6.337 416 H ILE 52 H ILE 52 4.196 0.085 -3.195 417 HA ILE 52 HA ILE 52 4.815 0.255 -0.324 418 HB ILE 52 HB ILE 52 2.906 -1.256 0.181 419 HG12 ILE 52 1HG1 ILE 52 1.613 -0.525 -2.461 420 HG13 ILE 52 2HG1 ILE 52 2.725 -1.853 -2.408 421 HG21 ILE 52 1HG2 ILE 52 2.057 1.436 -1.000 422 HG22 ILE 52 2HG2 ILE 52 1.115 0.423 0.115 423 HG23 ILE 52 3HG2 ILE 52 2.644 1.125 0.649 424 HD11 ILE 52 3HD1 ILE 52 0.455 -2.676 -2.108 425 HD12 ILE 52 1HD1 ILE 52 1.398 -2.957 -0.649 426 HD13 ILE 52 2HD1 ILE 52 0.220 -1.621 -0.683 427 H VAL 53 H VAL 53 5.386 -1.820 0.581 428 HA VAL 53 HA VAL 53 6.459 -3.791 -1.362 429 HB VAL 53 HB VAL 53 8.138 -2.817 0.087 430 HG11 VAL 53 1HG1 VAL 53 8.199 -3.180 2.533 431 HG12 VAL 53 2HG1 VAL 53 6.895 -2.125 2.034 432 HG13 VAL 53 3HG1 VAL 53 6.529 -3.804 2.478 433 HG21 VAL 53 3HG2 VAL 53 9.168 -4.780 1.019 434 HG22 VAL 53 1HG2 VAL 53 7.630 -5.654 1.012 435 HG23 VAL 53 2HG2 VAL 53 8.401 -5.191 -0.523 436 H GLU 54 H GLU 54 5.903 -5.982 -1.069 437 HA GLU 54 HA GLU 54 3.256 -6.371 -0.020 438 HB2 GLU 54 1HB GLU 54 3.377 -8.544 -0.977 439 HB3 GLU 54 2HB GLU 54 3.943 -7.305 -2.100 440 HG2 GLU 54 1HG GLU 54 6.283 -7.943 -1.700 441 HG3 GLU 54 2HG GLU 54 5.743 -9.274 -0.670 442 H ASP 55 H ASP 55 5.968 -6.196 1.727 443 HA ASP 55 HA ASP 55 5.889 -8.599 3.301 444 HB2 ASP 55 1HB ASP 55 7.895 -7.256 2.721 445 HB3 ASP 55 2HB ASP 55 7.303 -5.956 3.755 446 H LEU 56 H LEU 56 4.156 -5.623 3.531 447 HA LEU 56 HA LEU 56 3.558 -6.022 6.465 448 HB2 LEU 56 1HB LEU 56 3.863 -3.445 4.885 449 HB3 LEU 56 2HB LEU 56 3.410 -3.537 6.586 450 HG LEU 56 HG LEU 56 6.066 -4.616 5.536 451 HD11 LEU 56 1HD1 LEU 56 5.966 -2.227 5.152 452 HD12 LEU 56 2HD1 LEU 56 7.081 -2.584 6.467 453 HD13 LEU 56 3HD1 LEU 56 5.463 -1.931 6.836 454 HD21 LEU 56 3HD2 LEU 56 5.305 -5.579 7.718 455 HD22 LEU 56 1HD2 LEU 56 5.134 -3.934 8.365 456 HD23 LEU 56 2HD2 LEU 56 6.735 -4.556 7.898 457 H VAL 57 H VAL 57 2.046 -6.839 3.896 458 HA VAL 57 HA VAL 57 -0.545 -5.519 4.422 459 HB VAL 57 HB VAL 57 -0.829 -5.209 2.085 460 HG11 VAL 57 1HG1 VAL 57 2.056 -4.346 2.529 461 HG12 VAL 57 2HG1 VAL 57 0.789 -3.518 1.604 462 HG13 VAL 57 3HG1 VAL 57 0.714 -3.587 3.388 463 HG21 VAL 57 3HG2 VAL 57 0.948 -5.751 0.385 464 HG22 VAL 57 1HG2 VAL 57 1.775 -6.695 1.642 465 HG23 VAL 57 2HG2 VAL 57 0.168 -7.176 1.076 466 H GLU 58 H GLU 58 -2.388 -6.844 3.566 467 HA GLU 58 HA GLU 58 -1.769 -9.720 3.148 468 HB2 GLU 58 1HB GLU 58 -3.705 -10.381 4.325 469 HB3 GLU 58 2HB GLU 58 -2.795 -9.349 5.423 470 HG2 GLU 58 1HG GLU 58 -4.301 -7.472 4.962 471 HG3 GLU 58 2HG GLU 58 -5.183 -8.419 3.752 472 H GLU 59 H GLU 59 -2.973 -10.786 1.665 473 HA GLU 59 HA GLU 59 -4.167 -9.171 -0.415 474 HB2 GLU 59 1HB GLU 59 -4.067 -12.192 0.048 475 HB3 GLU 59 2HB GLU 59 -4.912 -11.428 -1.298 476 HG2 GLU 59 1HG GLU 59 -2.452 -10.238 -1.536 477 HG3 GLU 59 2HG GLU 59 -1.989 -11.815 -0.881 478 H VAL 60 H VAL 60 -6.210 -8.450 -0.324 479 HA VAL 60 HA VAL 60 -8.254 -9.937 1.229 480 HB VAL 60 HB VAL 60 -7.782 -7.926 2.417 481 HG11 VAL 60 1HG1 VAL 60 -8.042 -6.422 -0.222 482 HG12 VAL 60 2HG1 VAL 60 -7.981 -5.657 1.377 483 HG13 VAL 60 3HG1 VAL 60 -6.603 -6.583 0.821 484 HG21 VAL 60 3HG2 VAL 60 -9.862 -6.750 2.448 485 HG22 VAL 60 1HG2 VAL 60 -10.224 -7.225 0.780 486 HG23 VAL 60 2HG2 VAL 60 -10.235 -8.440 2.069 487 H GLY 61 H GLY 61 -10.407 -9.734 0.253 488 HA2 GLY 61 1HA GLY 61 -10.510 -9.694 -2.687 489 HA3 GLY 61 2HA GLY 61 -11.864 -9.883 -1.564 490 H ARG 62 H ARG 62 -12.884 -8.102 -0.704 491 HA ARG 62 HA ARG 62 -13.931 -6.177 -0.880 492 HB2 ARG 62 1HB ARG 62 -11.828 -5.805 0.616 493 HB3 ARG 62 2HB ARG 62 -11.211 -4.842 -0.743 494 HG2 ARG 62 1HG ARG 62 -13.172 -3.391 -0.564 495 HG3 ARG 62 2HG ARG 62 -13.904 -4.488 0.627 496 HD2 ARG 62 1HD ARG 62 -11.175 -3.613 1.383 497 HD3 ARG 62 2HD ARG 62 -12.282 -2.258 1.138 498 HE ARG 62 HE ARG 62 -12.928 -4.571 2.923 499 HH11 ARG 62 1HH1 ARG 62 -12.498 -1.012 2.553 500 HH12 ARG 62 2HH1 ARG 62 -13.153 -0.647 4.097 501 HH21 ARG 62 1HH2 ARG 62 -13.849 -4.009 5.011 502 HH22 ARG 62 2HH2 ARG 62 -13.617 -2.398 5.589 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -3.873 -2.168 -12.108 2 HA2 GLY 1 1HA GLY 1 -5.752 -2.402 -10.568 3 HA3 GLY 1 2HA GLY 1 -6.318 -2.278 -12.238 4 H ARG 2 H ARG 2 -6.430 -4.224 -9.399 5 HA ARG 2 HA ARG 2 -8.173 -6.023 -10.856 6 HB2 ARG 2 1HB ARG 2 -7.323 -8.120 -10.189 7 HB3 ARG 2 2HB ARG 2 -6.191 -7.292 -11.246 8 HG2 ARG 2 1HG ARG 2 -4.651 -6.878 -9.376 9 HG3 ARG 2 2HG ARG 2 -5.855 -7.463 -8.257 10 HD2 ARG 2 1HD ARG 2 -4.484 -9.231 -8.384 11 HD3 ARG 2 2HD ARG 2 -5.798 -9.724 -9.428 12 HE ARG 2 HE ARG 2 -4.358 -9.093 -11.359 13 HH11 ARG 2 1HH1 ARG 2 -2.931 -10.192 -8.309 14 HH12 ARG 2 2HH1 ARG 2 -1.382 -10.523 -8.989 15 HH21 ARG 2 1HH2 ARG 2 -2.233 -9.471 -12.290 16 HH22 ARG 2 2HH2 ARG 2 -1.008 -10.046 -11.242 17 H ARG 3 H ARG 3 -6.681 -5.845 -7.534 18 HA ARG 3 HA ARG 3 -9.413 -5.798 -6.457 19 HB2 ARG 3 1HB ARG 3 -9.409 -7.630 -5.253 20 HB3 ARG 3 2HB ARG 3 -8.480 -8.200 -6.591 21 HG2 ARG 3 1HG ARG 3 -7.461 -7.587 -3.803 22 HG3 ARG 3 2HG ARG 3 -7.775 -9.130 -4.521 23 HD2 ARG 3 1HD ARG 3 -5.681 -9.283 -5.125 24 HD3 ARG 3 2HD ARG 3 -5.968 -8.037 -6.319 25 HE ARG 3 HE ARG 3 -5.432 -6.770 -3.830 26 HH11 ARG 3 1HH1 ARG 3 -3.726 -9.161 -5.990 27 HH12 ARG 3 2HH1 ARG 3 -2.191 -8.418 -5.780 28 HH21 ARG 3 1HH2 ARG 3 -3.024 -5.887 -3.638 29 HH22 ARG 3 2HH2 ARG 3 -1.824 -6.775 -4.508 30 H ARG 4 H ARG 4 -8.564 -5.853 -3.696 31 HA ARG 4 HA ARG 4 -6.917 -3.331 -3.603 32 HB2 ARG 4 1HB ARG 4 -9.013 -4.450 -1.754 33 HB3 ARG 4 2HB ARG 4 -8.117 -2.943 -1.499 34 HG2 ARG 4 1HG ARG 4 -9.110 -2.475 -4.028 35 HG3 ARG 4 2HG ARG 4 -10.399 -3.462 -3.352 36 HD2 ARG 4 1HD ARG 4 -10.644 -1.833 -1.478 37 HD3 ARG 4 2HD ARG 4 -9.343 -0.858 -2.196 38 HE ARG 4 HE ARG 4 -10.675 -0.412 -4.114 39 HH11 ARG 4 1HH1 ARG 4 -12.727 -2.230 -1.795 40 HH12 ARG 4 2HH1 ARG 4 -14.083 -1.235 -2.107 41 HH21 ARG 4 1HH2 ARG 4 -12.778 0.442 -4.827 42 HH22 ARG 4 2HH2 ARG 4 -14.164 0.060 -3.867 43 H VAL 5 H VAL 5 -5.766 -3.144 -1.347 44 HA VAL 5 HA VAL 5 -5.221 -5.774 -0.094 45 HB VAL 5 HB VAL 5 -2.777 -4.699 0.261 46 HG11 VAL 5 1HG1 VAL 5 -1.994 -6.166 -1.687 47 HG12 VAL 5 2HG1 VAL 5 -2.921 -6.922 -0.420 48 HG13 VAL 5 3HG1 VAL 5 -3.737 -6.548 -1.925 49 HG21 VAL 5 3HG2 VAL 5 -1.817 -3.753 -1.715 50 HG22 VAL 5 1HG2 VAL 5 -3.332 -3.885 -2.619 51 HG23 VAL 5 2HG2 VAL 5 -3.201 -2.774 -1.237 52 H ARG 6 H ARG 6 -4.418 -5.503 2.143 53 HA ARG 6 HA ARG 6 -4.973 -2.798 3.319 54 HB2 ARG 6 1HB ARG 6 -6.996 -4.197 3.396 55 HB3 ARG 6 2HB ARG 6 -6.134 -5.428 4.318 56 HG2 ARG 6 1HG ARG 6 -6.473 -4.380 6.274 57 HG3 ARG 6 2HG ARG 6 -6.016 -2.808 5.639 58 HD2 ARG 6 1HD ARG 6 -8.366 -2.838 6.446 59 HD3 ARG 6 2HD ARG 6 -8.212 -2.380 4.746 60 HE ARG 6 HE ARG 6 -9.393 -4.202 4.117 61 HH11 ARG 6 1HH1 ARG 6 -8.648 -4.614 7.578 62 HH12 ARG 6 2HH1 ARG 6 -9.261 -6.223 7.640 63 HH21 ARG 6 1HH2 ARG 6 -10.222 -6.483 4.281 64 HH22 ARG 6 2HH2 ARG 6 -10.159 -7.203 5.818 65 H ALA 7 H ALA 7 -3.752 -2.311 5.175 66 HA ALA 7 HA ALA 7 -1.273 -3.820 5.441 67 HB1 ALA 7 1HB ALA 7 -2.398 -1.325 6.783 68 HB2 ALA 7 2HB ALA 7 -0.751 -1.948 7.025 69 HB3 ALA 7 3HB ALA 7 -1.249 -1.367 5.428 70 H ILE 8 H ILE 8 -0.766 -5.239 6.989 71 HA ILE 8 HA ILE 8 -2.546 -5.491 9.364 72 HB ILE 8 HB ILE 8 -1.708 -7.721 9.651 73 HG12 ILE 8 1HG1 ILE 8 0.493 -7.251 8.272 74 HG13 ILE 8 2HG1 ILE 8 -0.184 -8.854 8.441 75 HG21 ILE 8 1HG2 ILE 8 -2.970 -8.776 7.811 76 HG22 ILE 8 2HG2 ILE 8 -3.809 -7.377 8.503 77 HG23 ILE 8 3HG2 ILE 8 -2.986 -7.230 6.938 78 HD11 ILE 8 3HD1 ILE 8 -0.820 -7.136 6.028 79 HD12 ILE 8 1HD1 ILE 8 0.594 -8.201 6.119 80 HD13 ILE 8 2HD1 ILE 8 -1.036 -8.887 6.229 81 H LEU 9 H LEU 9 0.368 -4.074 8.457 82 HA LEU 9 HA LEU 9 1.181 -3.725 11.264 83 HB2 LEU 9 1HB LEU 9 2.792 -5.009 9.066 84 HB3 LEU 9 2HB LEU 9 3.622 -3.941 10.171 85 HG LEU 9 HG LEU 9 1.919 -6.031 11.482 86 HD11 LEU 9 1HD1 LEU 9 3.577 -7.800 11.176 87 HD12 LEU 9 2HD1 LEU 9 4.501 -6.772 10.056 88 HD13 LEU 9 3HD1 LEU 9 2.863 -7.323 9.634 89 HD21 LEU 9 3HD2 LEU 9 4.761 -5.041 11.974 90 HD22 LEU 9 1HD2 LEU 9 3.873 -6.198 12.984 91 HD23 LEU 9 2HD2 LEU 9 3.298 -4.540 12.856 92 HA PRO 10 HA PRO 10 1.708 0.351 9.556 93 HB2 PRO 10 1HB PRO 10 3.258 1.533 11.452 94 HB3 PRO 10 2HB PRO 10 1.594 0.981 11.831 95 HG2 PRO 10 1HG PRO 10 4.185 -0.562 12.296 96 HG3 PRO 10 2HG PRO 10 2.907 -0.182 13.502 97 HD2 PRO 10 1HD PRO 10 3.077 -2.512 12.120 98 HD3 PRO 10 2HD PRO 10 1.485 -1.805 12.520 99 H TYR 11 H TYR 11 3.317 1.768 8.559 100 HA TYR 11 HA TYR 11 6.058 0.700 8.298 101 HB2 TYR 11 1HB TYR 11 4.683 -0.228 6.453 102 HB3 TYR 11 2HB TYR 11 4.234 1.406 5.989 103 HD1 TYR 11 1HD TYR 11 7.314 -0.668 6.680 104 HD2 TYR 11 2HD TYR 11 5.541 2.504 4.314 105 HE1 TYR 11 1HE TYR 11 9.411 -0.461 5.381 106 HE2 TYR 11 2HE TYR 11 7.651 2.716 3.037 107 HH TYR 11 HH TYR 11 10.537 0.724 3.703 108 H THR 12 H THR 12 7.467 2.329 7.157 109 HA THR 12 HA THR 12 6.620 5.124 7.422 110 HB THR 12 HB THR 12 9.045 3.866 8.763 111 HG1 THR 12 1HG THR 12 7.566 3.843 10.301 112 HG21 THR 12 3HG2 THR 12 8.282 6.777 8.347 113 HG22 THR 12 1HG2 THR 12 9.723 5.938 7.711 114 HG23 THR 12 2HG2 THR 12 9.565 6.210 9.453 115 H LYS 13 H LYS 13 6.903 5.895 5.389 116 HA LYS 13 HA LYS 13 8.888 4.714 3.594 117 HB2 LYS 13 1HB LYS 13 8.009 6.107 1.939 118 HB3 LYS 13 2HB LYS 13 6.609 5.731 2.897 119 HG2 LYS 13 1HG LYS 13 6.571 7.917 3.944 120 HG3 LYS 13 2HG LYS 13 8.210 8.272 3.407 121 HD2 LYS 13 1HD LYS 13 7.214 7.965 1.016 122 HD3 LYS 13 2HD LYS 13 5.732 8.515 1.832 123 HE2 LYS 13 1HE LYS 13 8.440 9.811 1.820 124 HE3 LYS 13 2HE LYS 13 7.104 10.303 0.774 125 HZ1 LYS 13 3HZ LYS 13 7.219 11.766 2.558 126 HZ2 LYS 13 1HZ LYS 13 7.212 10.563 3.712 127 HZ3 LYS 13 2HZ LYS 13 5.860 10.864 2.781 128 H VAL 14 H VAL 14 10.736 5.879 2.887 129 HA VAL 14 HA VAL 14 11.866 7.997 4.606 130 HB VAL 14 HB VAL 14 12.790 6.723 1.986 131 HG11 VAL 14 1HG1 VAL 14 15.022 7.502 2.596 132 HG12 VAL 14 2HG1 VAL 14 13.897 8.840 2.425 133 HG13 VAL 14 3HG1 VAL 14 14.381 8.287 4.057 134 HG21 VAL 14 3HG2 VAL 14 12.737 4.919 3.655 135 HG22 VAL 14 1HG2 VAL 14 14.404 5.390 3.382 136 HG23 VAL 14 2HG2 VAL 14 13.566 5.955 4.843 137 HA PRO 15 HA PRO 15 9.893 10.914 1.727 138 HB2 PRO 15 1HB PRO 15 11.096 13.228 2.441 139 HB3 PRO 15 2HB PRO 15 9.978 12.390 3.548 140 HG2 PRO 15 1HG PRO 15 12.995 12.291 3.481 141 HG3 PRO 15 2HG PRO 15 11.941 12.480 4.920 142 HD2 PRO 15 1HD PRO 15 13.018 10.088 4.223 143 HD3 PRO 15 2HD PRO 15 11.448 10.246 5.043 144 H ASP 16 H ASP 16 10.506 12.490 0.100 145 HA ASP 16 HA ASP 16 11.581 13.330 -1.647 146 HB2 ASP 16 1HB ASP 16 13.521 13.611 -0.094 147 HB3 ASP 16 2HB ASP 16 14.144 12.067 -0.692 148 H THR 17 H THR 17 10.538 10.453 -1.235 149 HA THR 17 HA THR 17 11.316 9.410 -3.887 150 HB THR 17 HB THR 17 11.191 7.143 -2.860 151 HG1 THR 17 1HG THR 17 11.260 7.070 -0.567 152 HG21 THR 17 3HG2 THR 17 13.356 7.188 -1.809 153 HG22 THR 17 1HG2 THR 17 13.214 8.891 -1.381 154 HG23 THR 17 2HG2 THR 17 13.380 8.417 -3.089 155 H ASP 18 H ASP 18 9.634 7.718 -4.590 156 HA ASP 18 HA ASP 18 7.060 9.080 -4.665 157 HB2 ASP 18 1HB ASP 18 8.133 6.604 -6.037 158 HB3 ASP 18 2HB ASP 18 6.571 7.338 -6.383 159 H GLU 19 H GLU 19 8.344 7.030 -2.476 160 HA GLU 19 HA GLU 19 6.311 5.057 -2.096 161 HB2 GLU 19 1HB GLU 19 8.337 5.865 -0.085 162 HB3 GLU 19 2HB GLU 19 7.588 4.293 -0.322 163 HG2 GLU 19 1HG GLU 19 9.915 5.605 -1.642 164 HG3 GLU 19 2HG GLU 19 9.772 3.978 -1.021 165 H ILE 20 H ILE 20 5.221 4.823 0.182 166 HA ILE 20 HA ILE 20 4.143 7.375 1.241 167 HB ILE 20 HB ILE 20 1.811 6.253 1.045 168 HG12 ILE 20 1HG1 ILE 20 3.088 5.141 -1.463 169 HG13 ILE 20 2HG1 ILE 20 2.852 4.155 -0.024 170 HG21 ILE 20 1HG2 ILE 20 1.411 7.497 -1.039 171 HG22 ILE 20 2HG2 ILE 20 2.475 8.414 0.037 172 HG23 ILE 20 3HG2 ILE 20 3.138 7.560 -1.371 173 HD11 ILE 20 3HD1 ILE 20 1.139 3.920 -1.838 174 HD12 ILE 20 1HD1 ILE 20 0.506 4.212 -0.214 175 HD13 ILE 20 2HD1 ILE 20 0.530 5.522 -1.432 176 H SER 21 H SER 21 3.707 7.319 3.344 177 HA SER 21 HA SER 21 4.404 4.935 4.929 178 HB2 SER 21 1HB SER 21 3.302 6.963 6.598 179 HB3 SER 21 2HB SER 21 4.989 6.503 6.408 180 HG SER 21 HG SER 21 3.638 8.451 4.795 181 H PHE 22 H PHE 22 2.862 3.865 6.431 182 HA PHE 22 HA PHE 22 0.087 4.643 6.279 183 HB2 PHE 22 1HB PHE 22 -0.668 2.422 5.432 184 HB3 PHE 22 2HB PHE 22 0.209 3.348 4.234 185 HD1 PHE 22 2HD PHE 22 0.364 0.423 6.516 186 HD2 PHE 22 1HD PHE 22 2.294 2.546 3.300 187 HE1 PHE 22 2HE PHE 22 1.772 -1.579 6.031 188 HE2 PHE 22 1HE PHE 22 3.718 0.570 2.839 189 HZ PHE 22 HZ PHE 22 3.415 -1.513 4.158 190 H LEU 23 H LEU 23 -1.265 3.242 7.715 191 HA LEU 23 HA LEU 23 0.326 2.120 9.990 192 HB2 LEU 23 1HB LEU 23 -2.335 3.530 9.838 193 HB3 LEU 23 2HB LEU 23 -2.000 2.479 11.166 194 HG LEU 23 HG LEU 23 -1.640 4.812 11.702 195 HD11 LEU 23 1HD1 LEU 23 0.988 3.270 11.821 196 HD12 LEU 23 2HD1 LEU 23 -0.398 3.020 12.920 197 HD13 LEU 23 3HD1 LEU 23 0.459 4.569 12.893 198 HD21 LEU 23 3HD2 LEU 23 0.174 6.129 10.896 199 HD22 LEU 23 1HD2 LEU 23 -0.745 5.564 9.487 200 HD23 LEU 23 2HD2 LEU 23 0.810 4.806 9.906 201 H LYS 24 H LYS 24 -0.715 0.314 11.189 202 HA LYS 24 HA LYS 24 -1.849 -1.793 9.584 203 HB2 LYS 24 1HB LYS 24 -0.614 -2.194 11.686 204 HB3 LYS 24 2HB LYS 24 -1.810 -1.274 12.606 205 HG2 LYS 24 1HG LYS 24 -3.527 -2.954 12.098 206 HG3 LYS 24 2HG LYS 24 -2.419 -3.826 11.049 207 HD2 LYS 24 1HD LYS 24 -0.902 -4.150 13.048 208 HD3 LYS 24 2HD LYS 24 -2.120 -3.435 14.075 209 HE2 LYS 24 1HE LYS 24 -2.497 -5.932 12.349 210 HE3 LYS 24 2HE LYS 24 -2.073 -5.946 14.053 211 HZ1 LYS 24 3HZ LYS 24 -4.400 -6.327 13.708 212 HZ2 LYS 24 1HZ LYS 24 -4.616 -4.875 12.996 213 HZ3 LYS 24 2HZ LYS 24 -4.187 -4.960 14.586 214 H GLY 25 H GLY 25 -3.972 -2.087 9.025 215 HA2 GLY 25 1HA GLY 25 -6.315 -2.049 9.507 216 HA3 GLY 25 2HA GLY 25 -6.120 -0.594 10.451 217 H ASP 26 H ASP 26 -4.229 0.013 7.798 218 HA ASP 26 HA ASP 26 -6.405 1.583 6.543 219 HB2 ASP 26 1HB ASP 26 -3.389 1.867 6.742 220 HB3 ASP 26 2HB ASP 26 -4.308 2.874 5.674 221 H MET 27 H MET 27 -6.465 1.719 4.154 222 HA MET 27 HA MET 27 -5.788 -0.920 2.996 223 HB2 MET 27 1HB MET 27 -8.165 -0.365 3.846 224 HB3 MET 27 2HB MET 27 -8.269 0.715 2.443 225 HG2 MET 27 1HG MET 27 -7.688 -1.156 0.983 226 HG3 MET 27 2HG MET 27 -7.507 -2.218 2.383 227 HE1 MET 27 3HE MET 27 -10.286 -3.973 0.622 228 HE2 MET 27 1HE MET 27 -8.565 -3.544 0.502 229 HE3 MET 27 2HE MET 27 -9.182 -4.234 1.998 230 H PHE 28 H PHE 28 -5.694 -1.008 0.603 231 HA PHE 28 HA PHE 28 -5.149 1.509 -0.801 232 HB2 PHE 28 1HB PHE 28 -3.178 -0.673 -1.308 233 HB3 PHE 28 2HB PHE 28 -3.008 1.046 -1.409 234 HD1 PHE 28 1HD PHE 28 -3.323 -1.724 1.071 235 HD2 PHE 28 2HD PHE 28 -1.709 2.167 0.179 236 HE1 PHE 28 1HE PHE 28 -2.019 -1.772 3.179 237 HE2 PHE 28 2HE PHE 28 -0.342 2.071 2.208 238 HZ PHE 28 HZ PHE 28 -0.491 0.085 3.731 239 H ILE 29 H ILE 29 -4.519 0.847 -3.157 240 HA ILE 29 HA ILE 29 -6.303 -1.318 -4.158 241 HB ILE 29 HB ILE 29 -7.006 0.297 -5.905 242 HG12 ILE 29 1HG1 ILE 29 -5.582 2.414 -4.231 243 HG13 ILE 29 2HG1 ILE 29 -5.218 1.959 -5.897 244 HG21 ILE 29 1HG2 ILE 29 -8.672 1.295 -4.463 245 HG22 ILE 29 2HG2 ILE 29 -8.201 -0.254 -3.780 246 HG23 ILE 29 3HG2 ILE 29 -7.565 1.260 -3.075 247 HD11 ILE 29 3HD1 ILE 29 -6.535 3.981 -5.942 248 HD12 ILE 29 1HD1 ILE 29 -7.561 2.646 -6.523 249 HD13 ILE 29 2HD1 ILE 29 -7.754 3.267 -4.867 250 H VAL 30 H VAL 30 -5.409 -2.637 -5.713 251 HA VAL 30 HA VAL 30 -2.599 -2.186 -6.227 252 HB VAL 30 HB VAL 30 -3.038 -4.390 -5.715 253 HG11 VAL 30 1HG1 VAL 30 -4.545 -5.871 -7.093 254 HG12 VAL 30 2HG1 VAL 30 -5.162 -4.824 -5.821 255 HG13 VAL 30 3HG1 VAL 30 -5.359 -4.345 -7.545 256 HG21 VAL 30 3HG2 VAL 30 -2.267 -5.734 -7.559 257 HG22 VAL 30 1HG2 VAL 30 -2.783 -4.518 -8.747 258 HG23 VAL 30 2HG2 VAL 30 -1.442 -4.194 -7.641 259 H HIS 31 H HIS 31 -2.158 -0.495 -7.638 260 HA HIS 31 HA HIS 31 -3.859 -0.187 -10.018 261 HB2 HIS 31 1HB HIS 31 -1.796 1.522 -8.633 262 HB3 HIS 31 2HB HIS 31 -2.100 1.732 -10.358 263 HD1 HIS 31 1HD HIS 31 -5.135 1.799 -10.749 264 HD2 HIS 31 2HD HIS 31 -3.106 3.423 -7.415 265 HE1 HIS 31 1HE HIS 31 -6.628 3.569 -9.800 266 H ASN 32 H ASN 32 -0.356 -0.620 -9.135 267 HA ASN 32 HA ASN 32 -0.068 -2.271 -11.577 268 HB2 ASN 32 1HB ASN 32 0.722 0.145 -11.853 269 HB3 ASN 32 2HB ASN 32 2.006 -0.262 -10.723 270 HD21 ASN 32 1HD2 ASN 32 3.827 -1.593 -11.756 271 HD22 ASN 32 2HD2 ASN 32 3.746 -1.940 -13.455 272 H GLU 33 H GLU 33 1.937 -3.383 -11.541 273 HA GLU 33 HA GLU 33 2.741 -4.376 -8.811 274 HB2 GLU 33 1HB GLU 33 1.873 -6.004 -11.224 275 HB3 GLU 33 2HB GLU 33 2.680 -6.681 -9.813 276 HG2 GLU 33 1HG GLU 33 0.875 -6.170 -8.357 277 HG3 GLU 33 2HG GLU 33 0.132 -5.050 -9.489 278 H LEU 34 H LEU 34 4.884 -4.543 -8.563 279 HA LEU 34 HA LEU 34 6.602 -4.123 -10.978 280 HB2 LEU 34 1HB LEU 34 7.057 -3.129 -8.152 281 HB3 LEU 34 2HB LEU 34 8.121 -2.878 -9.513 282 HG LEU 34 HG LEU 34 5.239 -1.939 -9.785 283 HD11 LEU 34 1HD1 LEU 34 5.900 -1.082 -7.607 284 HD12 LEU 34 2HD1 LEU 34 5.788 0.193 -8.838 285 HD13 LEU 34 3HD1 LEU 34 7.380 -0.380 -8.301 286 HD21 LEU 34 3HD2 LEU 34 7.828 -0.639 -10.707 287 HD22 LEU 34 1HD2 LEU 34 6.159 -0.281 -11.208 288 HD23 LEU 34 2HD2 LEU 34 6.911 -1.810 -11.667 289 H GLU 35 H GLU 35 9.062 -4.700 -9.825 290 HA GLU 35 HA GLU 35 8.825 -7.622 -9.287 291 HB2 GLU 35 1HB GLU 35 10.367 -6.163 -11.459 292 HB3 GLU 35 2HB GLU 35 10.618 -7.844 -11.022 293 HG2 GLU 35 1HG GLU 35 7.924 -6.745 -11.953 294 HG3 GLU 35 2HG GLU 35 9.147 -7.334 -13.067 295 H ASP 36 H ASP 36 9.243 -6.079 -7.317 296 HA ASP 36 HA ASP 36 12.004 -6.516 -6.440 297 HB2 ASP 36 1HB ASP 36 12.099 -4.354 -7.745 298 HB3 ASP 36 2HB ASP 36 11.049 -3.630 -6.516 299 H GLY 37 H GLY 37 9.033 -7.050 -5.657 300 HA2 GLY 37 1HA GLY 37 7.894 -7.384 -3.709 301 HA3 GLY 37 2HA GLY 37 9.220 -6.787 -2.775 302 H TRP 38 H TRP 38 7.875 -4.821 -5.363 303 HA TRP 38 HA TRP 38 6.665 -2.945 -3.372 304 HB2 TRP 38 1HB TRP 38 8.489 -2.363 -5.737 305 HB3 TRP 38 2HB TRP 38 7.422 -1.161 -5.057 306 HD1 TRP 38 HD TRP 38 10.741 -2.840 -4.398 307 HE1 TRP 38 1HE TRP 38 11.846 -1.836 -2.390 308 HE3 TRP 38 3HE TRP 38 6.853 0.006 -2.782 309 HZ2 TRP 38 2HZ TRP 38 11.082 -0.052 -0.142 310 HZ3 TRP 38 3HZ TRP 38 6.988 1.299 -0.685 311 HH2 TRP 38 HH TRP 38 9.117 1.282 0.664 312 H MET 39 H MET 39 4.828 -1.791 -4.142 313 HA MET 39 HA MET 39 3.777 -2.537 -6.817 314 HB2 MET 39 1HB MET 39 2.064 -2.788 -4.332 315 HB3 MET 39 2HB MET 39 1.760 -3.359 -5.970 316 HG2 MET 39 1HG MET 39 3.356 -5.128 -5.792 317 HG3 MET 39 2HG MET 39 3.813 -4.605 -4.163 318 HE1 MET 39 3HE MET 39 2.500 -4.602 -2.171 319 HE2 MET 39 1HE MET 39 0.909 -3.989 -2.654 320 HE3 MET 39 2HE MET 39 1.042 -5.577 -1.855 321 H TRP 40 H TRP 40 2.813 -0.789 -7.757 322 HA TRP 40 HA TRP 40 2.644 1.745 -6.291 323 HB2 TRP 40 1HB TRP 40 3.196 1.525 -8.777 324 HB3 TRP 40 2HB TRP 40 1.486 1.182 -9.050 325 HD1 TRP 40 HD TRP 40 -0.239 3.259 -8.325 326 HE1 TRP 40 1HE TRP 40 0.094 5.791 -8.316 327 HE3 TRP 40 3HE TRP 40 4.831 3.370 -8.570 328 HZ2 TRP 40 2HZ TRP 40 2.342 7.642 -8.179 329 HZ3 TRP 40 3HZ TRP 40 6.077 5.531 -8.480 330 HH2 TRP 40 HH TRP 40 4.809 7.641 -8.297 331 H VAL 41 H VAL 41 0.856 2.562 -5.254 332 HA VAL 41 HA VAL 41 -1.801 1.405 -5.790 333 HB VAL 41 HB VAL 41 -2.187 1.028 -3.423 334 HG11 VAL 41 1HG1 VAL 41 -1.331 -0.901 -4.631 335 HG12 VAL 41 2HG1 VAL 41 0.335 -0.470 -4.177 336 HG13 VAL 41 3HG1 VAL 41 -0.843 -0.916 -2.937 337 HG21 VAL 41 3HG2 VAL 41 0.737 1.714 -2.917 338 HG22 VAL 41 1HG2 VAL 41 -0.653 2.726 -2.461 339 HG23 VAL 41 2HG2 VAL 41 -0.442 1.148 -1.718 340 H THR 42 H THR 42 -3.163 2.690 -3.708 341 HA THR 42 HA THR 42 -2.265 5.418 -3.517 342 HB THR 42 HB THR 42 -5.133 4.762 -4.306 343 HG1 THR 42 1HG THR 42 -2.858 5.393 -5.764 344 HG21 THR 42 3HG2 THR 42 -3.665 7.410 -3.943 345 HG22 THR 42 1HG2 THR 42 -4.989 6.772 -2.945 346 HG23 THR 42 2HG2 THR 42 -5.293 7.234 -4.628 347 H ASN 43 H ASN 43 -2.342 5.904 -1.403 348 HA ASN 43 HA ASN 43 -3.268 3.920 0.477 349 HB2 ASN 43 1HB ASN 43 -1.116 5.427 0.558 350 HB3 ASN 43 2HB ASN 43 -2.169 6.693 1.142 351 HD21 ASN 43 1HD2 ASN 43 -1.798 6.773 3.499 352 HD22 ASN 43 2HD2 ASN 43 -1.757 5.330 4.443 353 H LEU 44 H LEU 44 -5.455 3.855 0.615 354 HA LEU 44 HA LEU 44 -7.252 6.002 0.197 355 HB2 LEU 44 1HB LEU 44 -7.692 3.401 1.713 356 HB3 LEU 44 2HB LEU 44 -8.954 4.458 1.076 357 HG LEU 44 HG LEU 44 -6.955 2.878 -0.586 358 HD11 LEU 44 1HD1 LEU 44 -8.678 1.470 0.393 359 HD12 LEU 44 2HD1 LEU 44 -8.994 1.660 -1.338 360 HD13 LEU 44 3HD1 LEU 44 -9.943 2.584 -0.162 361 HD21 LEU 44 3HD2 LEU 44 -7.432 4.945 -1.787 362 HD22 LEU 44 1HD2 LEU 44 -9.172 4.748 -1.486 363 HD23 LEU 44 2HD2 LEU 44 -8.309 3.617 -2.546 364 H ARG 45 H ARG 45 -5.259 5.702 2.875 365 HA ARG 45 HA ARG 45 -6.819 6.787 5.002 366 HB2 ARG 45 1HB ARG 45 -4.437 6.008 5.156 367 HB3 ARG 45 2HB ARG 45 -3.934 7.406 4.195 368 HG2 ARG 45 1HG ARG 45 -4.794 8.919 6.010 369 HG3 ARG 45 2HG ARG 45 -5.248 7.491 6.940 370 HD2 ARG 45 1HD ARG 45 -3.151 8.256 7.792 371 HD3 ARG 45 2HD ARG 45 -2.844 6.760 6.938 372 HE ARG 45 HE ARG 45 -1.449 7.908 5.509 373 HH11 ARG 45 1HH1 ARG 45 -3.143 10.271 7.529 374 HH12 ARG 45 2HH1 ARG 45 -2.217 11.589 6.940 375 HH21 ARG 45 1HH2 ARG 45 -0.558 9.816 4.358 376 HH22 ARG 45 2HH2 ARG 45 -0.687 11.299 5.177 377 H THR 46 H THR 46 -5.143 8.433 2.243 378 HA THR 46 HA THR 46 -6.969 10.692 2.532 379 HB THR 46 HB THR 46 -5.147 10.901 4.312 380 HG1 THR 46 1HG THR 46 -6.443 12.599 3.714 381 HG21 THR 46 3HG2 THR 46 -3.037 11.872 3.749 382 HG22 THR 46 1HG2 THR 46 -3.443 11.880 2.024 383 HG23 THR 46 2HG2 THR 46 -3.182 10.336 2.872 384 H ASP 47 H ASP 47 -5.825 8.601 0.559 385 HA ASP 47 HA ASP 47 -5.780 8.375 -1.603 386 HB2 ASP 47 1HB ASP 47 -7.541 10.343 -1.431 387 HB3 ASP 47 2HB ASP 47 -6.268 11.270 -2.254 388 H GLU 48 H GLU 48 -3.409 9.278 -0.013 389 HA GLU 48 HA GLU 48 -1.518 10.587 -1.759 390 HB2 GLU 48 1HB GLU 48 -1.268 8.692 0.608 391 HB3 GLU 48 2HB GLU 48 0.136 9.164 -0.361 392 HG2 GLU 48 1HG GLU 48 -0.295 11.520 0.059 393 HG3 GLU 48 2HG GLU 48 -1.666 11.102 1.084 394 H GLN 49 H GLN 49 -1.191 9.825 -3.781 395 HA GLN 49 HA GLN 49 -1.232 6.960 -4.406 396 HB2 GLN 49 1HB GLN 49 -0.308 9.434 -5.956 397 HB3 GLN 49 2HB GLN 49 -0.339 7.802 -6.617 398 HG2 GLN 49 1HG GLN 49 -2.751 7.645 -6.333 399 HG3 GLN 49 2HG GLN 49 -2.799 9.224 -5.523 400 HE21 GLN 49 1HE2 GLN 49 -4.469 8.899 -7.569 401 HE22 GLN 49 2HE2 GLN 49 -3.964 9.895 -8.931 402 H GLY 50 H GLY 50 0.684 5.746 -5.063 403 HA2 GLY 50 1HA GLY 50 3.239 6.368 -5.332 404 HA3 GLY 50 2HA GLY 50 3.095 6.630 -3.592 405 H LEU 51 H LEU 51 4.738 5.023 -3.583 406 HA LEU 51 HA LEU 51 3.958 2.238 -4.231 407 HB2 LEU 51 1HB LEU 51 6.537 3.805 -3.870 408 HB3 LEU 51 2HB LEU 51 6.584 2.044 -3.840 409 HG LEU 51 HG LEU 51 5.080 3.445 -6.054 410 HD11 LEU 51 1HD1 LEU 51 8.094 3.091 -5.995 411 HD12 LEU 51 2HD1 LEU 51 7.180 4.587 -6.160 412 HD13 LEU 51 3HD1 LEU 51 7.148 3.391 -7.467 413 HD21 LEU 51 3HD2 LEU 51 5.377 1.475 -7.203 414 HD22 LEU 51 1HD2 LEU 51 5.119 0.899 -5.559 415 HD23 LEU 51 2HD2 LEU 51 6.764 0.944 -6.204 416 H ILE 52 H ILE 52 4.010 0.522 -2.845 417 HA ILE 52 HA ILE 52 4.923 0.894 -0.061 418 HB ILE 52 HB ILE 52 3.069 -0.352 0.830 419 HG12 ILE 52 1HG1 ILE 52 1.002 -0.357 -1.032 420 HG13 ILE 52 2HG1 ILE 52 2.405 -0.806 -2.011 421 HG21 ILE 52 1HG2 ILE 52 2.038 1.989 -0.800 422 HG22 ILE 52 2HG2 ILE 52 1.272 1.281 0.627 423 HG23 ILE 52 3HG2 ILE 52 2.846 2.072 0.790 424 HD11 ILE 52 3HD1 ILE 52 1.046 -2.680 -0.916 425 HD12 ILE 52 1HD1 ILE 52 2.802 -2.746 -0.642 426 HD13 ILE 52 2HD1 ILE 52 1.708 -2.158 0.633 427 H VAL 53 H VAL 53 5.631 -1.051 0.923 428 HA VAL 53 HA VAL 53 6.670 -3.015 -0.946 429 HB VAL 53 HB VAL 53 8.083 -1.907 0.764 430 HG11 VAL 53 1HG1 VAL 53 6.457 -1.752 2.648 431 HG12 VAL 53 2HG1 VAL 53 6.571 -3.518 2.863 432 HG13 VAL 53 3HG1 VAL 53 7.995 -2.486 3.115 433 HG21 VAL 53 3HG2 VAL 53 7.884 -4.915 1.141 434 HG22 VAL 53 1HG2 VAL 53 8.743 -4.057 -0.156 435 HG23 VAL 53 2HG2 VAL 53 9.285 -3.883 1.512 436 H GLU 54 H GLU 54 5.999 -5.155 -1.055 437 HA GLU 54 HA GLU 54 3.295 -5.504 -0.115 438 HB2 GLU 54 1HB GLU 54 3.110 -7.313 -1.509 439 HB3 GLU 54 2HB GLU 54 4.028 -6.083 -2.354 440 HG2 GLU 54 1HG GLU 54 6.080 -7.348 -2.084 441 HG3 GLU 54 2HG GLU 54 5.200 -8.643 -1.228 442 H ASP 55 H ASP 55 6.061 -6.030 1.486 443 HA ASP 55 HA ASP 55 5.889 -8.526 2.741 444 HB2 ASP 55 1HB ASP 55 7.870 -7.154 2.808 445 HB3 ASP 55 2HB ASP 55 7.003 -5.843 3.608 446 H LEU 56 H LEU 56 4.080 -5.595 3.397 447 HA LEU 56 HA LEU 56 3.268 -6.535 6.118 448 HB2 LEU 56 1HB LEU 56 3.583 -3.748 4.967 449 HB3 LEU 56 2HB LEU 56 3.091 -4.100 6.626 450 HG LEU 56 HG LEU 56 5.783 -4.828 5.403 451 HD11 LEU 56 1HD1 LEU 56 6.680 -3.027 6.800 452 HD12 LEU 56 2HD1 LEU 56 5.039 -2.620 7.363 453 HD13 LEU 56 3HD1 LEU 56 5.487 -2.410 5.655 454 HD21 LEU 56 3HD2 LEU 56 6.483 -5.402 7.657 455 HD22 LEU 56 1HD2 LEU 56 5.077 -6.363 7.273 456 HD23 LEU 56 2HD2 LEU 56 4.913 -4.936 8.327 457 H VAL 57 H VAL 57 1.829 -6.817 3.319 458 HA VAL 57 HA VAL 57 -0.785 -5.736 4.206 459 HB VAL 57 HB VAL 57 -1.194 -5.197 1.781 460 HG11 VAL 57 1HG1 VAL 57 -0.640 -3.465 3.475 461 HG12 VAL 57 2HG1 VAL 57 1.071 -3.609 3.059 462 HG13 VAL 57 3HG1 VAL 57 -0.096 -3.036 1.851 463 HG21 VAL 57 3HG2 VAL 57 0.648 -4.829 0.273 464 HG22 VAL 57 1HG2 VAL 57 1.838 -5.278 1.507 465 HG23 VAL 57 2HG2 VAL 57 0.764 -6.507 0.818 466 H GLU 58 H GLU 58 -2.656 -6.845 3.404 467 HA GLU 58 HA GLU 58 -2.172 -9.619 2.436 468 HB2 GLU 58 1HB GLU 58 -4.067 -10.330 3.760 469 HB3 GLU 58 2HB GLU 58 -2.859 -9.580 4.811 470 HG2 GLU 58 1HG GLU 58 -4.201 -7.518 4.907 471 HG3 GLU 58 2HG GLU 58 -5.369 -8.167 3.773 472 H GLU 59 H GLU 59 -3.520 -10.455 0.912 473 HA GLU 59 HA GLU 59 -4.787 -8.769 -0.880 474 HB2 GLU 59 1HB GLU 59 -3.722 -11.417 -0.610 475 HB3 GLU 59 2HB GLU 59 -5.368 -11.725 -0.967 476 HG2 GLU 59 1HG GLU 59 -4.116 -9.625 -2.673 477 HG3 GLU 59 2HG GLU 59 -3.321 -11.186 -2.651 478 H VAL 60 H VAL 60 -6.530 -7.664 -0.050 479 HA VAL 60 HA VAL 60 -8.676 -9.209 1.271 480 HB VAL 60 HB VAL 60 -8.490 -6.241 0.706 481 HG11 VAL 60 1HG1 VAL 60 -10.181 -6.191 2.582 482 HG12 VAL 60 2HG1 VAL 60 -10.755 -6.773 1.032 483 HG13 VAL 60 3HG1 VAL 60 -10.401 -7.939 2.348 484 HG21 VAL 60 3HG2 VAL 60 -7.824 -7.822 3.227 485 HG22 VAL 60 1HG2 VAL 60 -6.743 -6.756 2.306 486 HG23 VAL 60 2HG2 VAL 60 -8.117 -6.089 3.206 487 H GLY 61 H GLY 61 -10.429 -9.784 0.317 488 HA2 GLY 61 1HA GLY 61 -11.264 -8.721 -2.343 489 HA3 GLY 61 2HA GLY 61 -11.444 -10.408 -1.834 490 H ARG 62 H ARG 62 -11.961 -7.755 0.370 491 HA ARG 62 HA ARG 62 -14.550 -8.479 1.240 492 HB2 ARG 62 1HB ARG 62 -14.695 -6.530 2.447 493 HB3 ARG 62 2HB ARG 62 -12.996 -7.040 2.497 494 HG2 ARG 62 1HG ARG 62 -12.735 -5.393 0.470 495 HG3 ARG 62 2HG ARG 62 -14.277 -4.700 1.036 496 HD2 ARG 62 1HD ARG 62 -11.853 -5.208 2.715 497 HD3 ARG 62 2HD ARG 62 -12.115 -3.652 1.899 498 HE ARG 62 HE ARG 62 -13.216 -4.711 4.337 499 HH11 ARG 62 1HH1 ARG 62 -13.711 -2.220 1.784 500 HH12 ARG 62 2HH1 ARG 62 -14.462 -1.119 2.877 501 HH21 ARG 62 1HH2 ARG 62 -14.342 -3.270 5.666 502 HH22 ARG 62 2HH2 ARG 62 -14.897 -1.721 5.093 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -8.888 -10.068 -10.803 2 HA2 GLY 1 1HA GLY 1 -9.313 -7.163 -11.273 3 HA3 GLY 1 2HA GLY 1 -10.631 -8.358 -11.125 4 H ARG 2 H ARG 2 -10.929 -6.419 -9.289 5 HA ARG 2 HA ARG 2 -10.908 -5.911 -7.010 6 HB2 ARG 2 1HB ARG 2 -11.681 -8.833 -7.193 7 HB3 ARG 2 2HB ARG 2 -11.874 -7.845 -5.744 8 HG2 ARG 2 1HG ARG 2 -13.229 -6.188 -7.125 9 HG3 ARG 2 2HG ARG 2 -13.186 -7.379 -8.435 10 HD2 ARG 2 1HD ARG 2 -15.263 -7.656 -7.288 11 HD3 ARG 2 2HD ARG 2 -14.241 -9.047 -6.894 12 HE ARG 2 HE ARG 2 -13.863 -7.067 -4.874 13 HH11 ARG 2 1HH1 ARG 2 -16.165 -9.531 -5.881 14 HH12 ARG 2 2HH1 ARG 2 -17.137 -9.444 -4.446 15 HH21 ARG 2 1HH2 ARG 2 -14.855 -7.286 -2.833 16 HH22 ARG 2 2HH2 ARG 2 -16.225 -8.272 -2.627 17 H ARG 3 H ARG 3 -8.315 -5.642 -7.186 18 HA ARG 3 HA ARG 3 -6.815 -7.733 -5.908 19 HB2 ARG 3 1HB ARG 3 -5.069 -6.191 -7.006 20 HB3 ARG 3 2HB ARG 3 -6.091 -7.189 -7.996 21 HG2 ARG 3 1HG ARG 3 -5.733 -4.872 -8.898 22 HG3 ARG 3 2HG ARG 3 -7.389 -5.400 -8.799 23 HD2 ARG 3 1HD ARG 3 -6.626 -3.915 -6.355 24 HD3 ARG 3 2HD ARG 3 -6.268 -3.005 -7.783 25 HE ARG 3 HE ARG 3 -8.879 -3.509 -6.695 26 HH11 ARG 3 1HH1 ARG 3 -6.993 -2.546 -9.570 27 HH12 ARG 3 2HH1 ARG 3 -8.335 -1.972 -10.447 28 HH21 ARG 3 1HH2 ARG 3 -10.823 -2.768 -8.036 29 HH22 ARG 3 2HH2 ARG 3 -10.423 -2.034 -9.537 30 H ARG 4 H ARG 4 -8.408 -6.144 -4.193 31 HA ARG 4 HA ARG 4 -6.671 -3.930 -3.190 32 HB2 ARG 4 1HB ARG 4 -9.398 -4.912 -2.250 33 HB3 ARG 4 2HB ARG 4 -8.450 -3.635 -1.449 34 HG2 ARG 4 1HG ARG 4 -8.309 -2.510 -3.753 35 HG3 ARG 4 2HG ARG 4 -9.573 -3.621 -4.284 36 HD2 ARG 4 1HD ARG 4 -9.830 -1.859 -1.807 37 HD3 ARG 4 2HD ARG 4 -10.197 -1.309 -3.430 38 HE ARG 4 HE ARG 4 -11.679 -3.400 -1.851 39 HH11 ARG 4 1HH1 ARG 4 -11.471 -1.593 -4.928 40 HH12 ARG 4 2HH1 ARG 4 -13.178 -1.783 -5.234 41 HH21 ARG 4 1HH2 ARG 4 -13.816 -3.712 -2.363 42 HH22 ARG 4 2HH2 ARG 4 -14.516 -3.020 -3.815 43 H VAL 5 H VAL 5 -5.649 -3.847 -1.193 44 HA VAL 5 HA VAL 5 -5.479 -6.387 0.286 45 HB VAL 5 HB VAL 5 -3.063 -6.253 0.400 46 HG11 VAL 5 1HG1 VAL 5 -4.092 -7.640 -1.378 47 HG12 VAL 5 2HG1 VAL 5 -3.962 -6.274 -2.516 48 HG13 VAL 5 3HG1 VAL 5 -2.508 -7.019 -1.841 49 HG21 VAL 5 3HG2 VAL 5 -2.685 -3.853 0.090 50 HG22 VAL 5 1HG2 VAL 5 -1.750 -4.789 -1.074 51 HG23 VAL 5 2HG2 VAL 5 -3.237 -3.963 -1.596 52 H ARG 6 H ARG 6 -4.629 -6.088 2.401 53 HA ARG 6 HA ARG 6 -5.314 -3.430 3.607 54 HB2 ARG 6 1HB ARG 6 -7.094 -4.965 4.020 55 HB3 ARG 6 2HB ARG 6 -6.016 -6.314 4.326 56 HG2 ARG 6 1HG ARG 6 -5.506 -5.654 6.465 57 HG3 ARG 6 2HG ARG 6 -5.838 -3.941 6.164 58 HD2 ARG 6 1HD ARG 6 -8.032 -6.057 6.121 59 HD3 ARG 6 2HD ARG 6 -7.576 -5.203 7.589 60 HE ARG 6 HE ARG 6 -9.017 -4.123 5.301 61 HH11 ARG 6 1HH1 ARG 6 -7.085 -3.266 8.187 62 HH12 ARG 6 2HH1 ARG 6 -7.942 -1.755 8.385 63 HH21 ARG 6 1HH2 ARG 6 -9.827 -1.957 5.464 64 HH22 ARG 6 2HH2 ARG 6 -9.078 -0.823 6.518 65 H ALA 7 H ALA 7 -3.632 -2.631 4.861 66 HA ALA 7 HA ALA 7 -1.273 -4.406 5.128 67 HB1 ALA 7 1HB ALA 7 -0.251 -2.476 4.773 68 HB2 ALA 7 2HB ALA 7 -1.615 -1.485 5.310 69 HB3 ALA 7 3HB ALA 7 -0.497 -2.231 6.496 70 H ILE 8 H ILE 8 -0.457 -5.039 7.024 71 HA ILE 8 HA ILE 8 -2.308 -5.053 9.374 72 HB ILE 8 HB ILE 8 -1.636 -7.298 9.890 73 HG12 ILE 8 1HG1 ILE 8 0.604 -7.156 8.526 74 HG13 ILE 8 2HG1 ILE 8 -0.222 -8.677 8.794 75 HG21 ILE 8 1HG2 ILE 8 -2.847 -7.057 7.110 76 HG22 ILE 8 2HG2 ILE 8 -2.970 -8.446 8.211 77 HG23 ILE 8 3HG2 ILE 8 -3.675 -6.892 8.667 78 HD11 ILE 8 3HD1 ILE 8 -0.685 -7.114 6.243 79 HD12 ILE 8 1HD1 ILE 8 0.666 -8.238 6.454 80 HD13 ILE 8 2HD1 ILE 8 -1.004 -8.823 6.574 81 H LEU 9 H LEU 9 0.493 -3.700 8.417 82 HA LEU 9 HA LEU 9 1.500 -3.473 11.164 83 HB2 LEU 9 1HB LEU 9 2.980 -4.565 8.743 84 HB3 LEU 9 2HB LEU 9 3.880 -3.596 9.882 85 HG LEU 9 HG LEU 9 2.272 -5.899 10.977 86 HD11 LEU 9 1HD1 LEU 9 4.058 -7.491 10.577 87 HD12 LEU 9 2HD1 LEU 9 4.986 -6.289 9.673 88 HD13 LEU 9 3HD1 LEU 9 3.439 -6.889 9.033 89 HD21 LEU 9 3HD2 LEU 9 3.502 -4.369 12.508 90 HD22 LEU 9 1HD2 LEU 9 5.022 -4.809 11.662 91 HD23 LEU 9 2HD2 LEU 9 4.117 -6.025 12.577 92 HA PRO 10 HA PRO 10 1.921 0.660 9.534 93 HB2 PRO 10 1HB PRO 10 3.440 1.844 11.406 94 HB3 PRO 10 2HB PRO 10 1.870 1.127 11.859 95 HG2 PRO 10 1HG PRO 10 4.621 -0.120 12.166 96 HG3 PRO 10 2HG PRO 10 3.299 -0.026 13.377 97 HD2 PRO 10 1HD PRO 10 3.725 -2.208 11.772 98 HD3 PRO 10 2HD PRO 10 2.127 -1.748 12.439 99 H TYR 11 H TYR 11 3.629 2.284 8.834 100 HA TYR 11 HA TYR 11 6.322 1.230 8.368 101 HB2 TYR 11 1HB TYR 11 4.700 0.544 6.469 102 HB3 TYR 11 2HB TYR 11 4.618 2.246 6.055 103 HD1 TYR 11 2HD TYR 11 6.900 -0.631 6.573 104 HD2 TYR 11 1HD TYR 11 6.471 3.234 4.720 105 HE1 TYR 11 2HE TYR 11 8.802 -1.159 5.078 106 HE2 TYR 11 1HE TYR 11 8.408 2.742 3.260 107 HH TYR 11 HH TYR 11 9.948 -0.488 3.164 108 H THR 12 H THR 12 7.737 2.881 7.572 109 HA THR 12 HA THR 12 6.833 5.694 7.680 110 HB THR 12 HB THR 12 9.163 4.399 9.144 111 HG1 THR 12 1HG THR 12 7.388 4.545 10.366 112 HG21 THR 12 3HG2 THR 12 10.051 6.339 7.937 113 HG22 THR 12 1HG2 THR 12 9.952 6.664 9.676 114 HG23 THR 12 2HG2 THR 12 8.737 7.360 8.571 115 H LYS 13 H LYS 13 7.066 6.252 5.575 116 HA LYS 13 HA LYS 13 8.880 4.916 3.751 117 HB2 LYS 13 1HB LYS 13 8.212 6.566 2.184 118 HB3 LYS 13 2HB LYS 13 6.761 5.999 2.998 119 HG2 LYS 13 1HG LYS 13 6.635 8.104 4.266 120 HG3 LYS 13 2HG LYS 13 8.229 8.592 3.677 121 HD2 LYS 13 1HD LYS 13 6.976 8.199 1.306 122 HD3 LYS 13 2HD LYS 13 5.601 8.731 2.284 123 HE2 LYS 13 1HE LYS 13 8.249 10.196 2.144 124 HE3 LYS 13 2HE LYS 13 6.976 10.468 0.949 125 HZ1 LYS 13 3HZ LYS 13 5.512 11.188 2.694 126 HZ2 LYS 13 1HZ LYS 13 6.870 12.089 2.714 127 HZ3 LYS 13 2HZ LYS 13 6.686 10.923 3.857 128 H VAL 14 H VAL 14 10.617 6.136 2.558 129 HA VAL 14 HA VAL 14 11.906 8.294 4.149 130 HB VAL 14 HB VAL 14 12.771 7.472 1.363 131 HG11 VAL 14 1HG1 VAL 14 14.979 8.146 2.215 132 HG12 VAL 14 2HG1 VAL 14 13.803 9.429 2.413 133 HG13 VAL 14 3HG1 VAL 14 14.294 8.471 3.813 134 HG21 VAL 14 3HG2 VAL 14 12.785 5.309 2.413 135 HG22 VAL 14 1HG2 VAL 14 14.439 5.882 2.399 136 HG23 VAL 14 2HG2 VAL 14 13.499 5.955 3.911 137 HA PRO 15 HA PRO 15 9.702 11.122 1.281 138 HB2 PRO 15 1HB PRO 15 11.087 13.401 1.855 139 HB3 PRO 15 2HB PRO 15 9.863 12.731 2.940 140 HG2 PRO 15 1HG PRO 15 12.872 12.389 3.099 141 HG3 PRO 15 2HG PRO 15 11.737 12.777 4.439 142 HD2 PRO 15 1HD PRO 15 12.598 10.281 4.050 143 HD3 PRO 15 2HD PRO 15 10.954 10.652 4.624 144 H ASP 16 H ASP 16 10.532 12.622 -0.449 145 HA ASP 16 HA ASP 16 11.729 13.158 -2.248 146 HB2 ASP 16 1HB ASP 16 13.522 13.667 -0.673 147 HB3 ASP 16 2HB ASP 16 14.171 12.042 -0.854 148 H THR 17 H THR 17 10.559 10.395 -1.666 149 HA THR 17 HA THR 17 11.446 9.092 -4.168 150 HB THR 17 HB THR 17 11.125 6.914 -2.924 151 HG1 THR 17 1HG THR 17 11.109 7.075 -0.620 152 HG21 THR 17 3HG2 THR 17 13.247 6.886 -1.818 153 HG22 THR 17 1HG2 THR 17 13.230 8.652 -1.603 154 HG23 THR 17 2HG2 THR 17 13.412 7.963 -3.221 155 H ASP 18 H ASP 18 9.795 7.432 -4.800 156 HA ASP 18 HA ASP 18 7.184 8.588 -5.015 157 HB2 ASP 18 1HB ASP 18 8.314 5.864 -5.765 158 HB3 ASP 18 2HB ASP 18 6.697 6.419 -6.182 159 H GLU 19 H GLU 19 8.510 6.979 -2.379 160 HA GLU 19 HA GLU 19 6.601 4.985 -1.685 161 HB2 GLU 19 1HB GLU 19 8.415 6.720 -0.001 162 HB3 GLU 19 2HB GLU 19 7.559 5.268 0.574 163 HG2 GLU 19 1HG GLU 19 8.930 3.820 -0.721 164 HG3 GLU 19 2HG GLU 19 9.665 5.175 -1.599 165 H ILE 20 H ILE 20 5.103 5.027 0.106 166 HA ILE 20 HA ILE 20 4.220 7.597 1.232 167 HB ILE 20 HB ILE 20 1.868 6.732 1.202 168 HG12 ILE 20 1HG1 ILE 20 2.741 5.018 -1.172 169 HG13 ILE 20 2HG1 ILE 20 2.515 4.360 0.449 170 HG21 ILE 20 1HG2 ILE 20 2.555 8.616 -0.137 171 HG22 ILE 20 2HG2 ILE 20 3.176 7.562 -1.424 172 HG23 ILE 20 3HG2 ILE 20 1.445 7.634 -1.098 173 HD11 ILE 20 3HD1 ILE 20 0.373 5.657 -1.267 174 HD12 ILE 20 1HD1 ILE 20 0.491 3.969 -0.739 175 HD13 ILE 20 2HD1 ILE 20 0.186 5.239 0.457 176 H SER 21 H SER 21 3.696 7.344 3.550 177 HA SER 21 HA SER 21 4.352 4.678 4.657 178 HB2 SER 21 1HB SER 21 3.913 6.146 6.819 179 HB3 SER 21 2HB SER 21 5.455 6.117 5.986 180 HG SER 21 HG SER 21 5.181 8.179 6.132 181 H PHE 22 H PHE 22 2.897 4.104 6.597 182 HA PHE 22 HA PHE 22 0.117 4.807 6.509 183 HB2 PHE 22 1HB PHE 22 -0.635 2.414 6.008 184 HB3 PHE 22 2HB PHE 22 -0.061 3.337 4.637 185 HD1 PHE 22 2HD PHE 22 2.056 2.798 3.493 186 HD2 PHE 22 1HD PHE 22 0.675 0.444 6.851 187 HE1 PHE 22 2HE PHE 22 3.549 0.952 2.827 188 HE2 PHE 22 1HE PHE 22 2.181 -1.395 6.159 189 HZ PHE 22 HZ PHE 22 3.596 -1.154 4.122 190 H LEU 23 H LEU 23 -1.021 3.307 8.126 191 HA LEU 23 HA LEU 23 0.800 2.464 10.337 192 HB2 LEU 23 1HB LEU 23 -1.895 3.803 10.371 193 HB3 LEU 23 2HB LEU 23 -1.153 3.152 11.812 194 HG LEU 23 HG LEU 23 0.519 5.130 10.283 195 HD11 LEU 23 1HD1 LEU 23 -2.080 5.939 11.644 196 HD12 LEU 23 2HD1 LEU 23 -1.612 6.182 9.956 197 HD13 LEU 23 3HD1 LEU 23 -0.762 7.056 11.227 198 HD21 LEU 23 3HD2 LEU 23 1.269 4.186 12.409 199 HD22 LEU 23 1HD2 LEU 23 -0.185 4.772 13.235 200 HD23 LEU 23 2HD2 LEU 23 1.014 5.921 12.564 201 H LYS 24 H LYS 24 -0.307 0.593 11.640 202 HA LYS 24 HA LYS 24 -1.481 -1.366 9.950 203 HB2 LYS 24 1HB LYS 24 -0.301 -1.924 12.033 204 HB3 LYS 24 2HB LYS 24 -1.542 -1.094 12.993 205 HG2 LYS 24 1HG LYS 24 -3.252 -2.695 12.256 206 HG3 LYS 24 2HG LYS 24 -2.094 -3.471 11.168 207 HD2 LYS 24 1HD LYS 24 -0.690 -3.964 13.267 208 HD3 LYS 24 2HD LYS 24 -2.073 -3.425 14.211 209 HE2 LYS 24 1HE LYS 24 -2.083 -5.720 12.190 210 HE3 LYS 24 2HE LYS 24 -1.919 -5.897 13.932 211 HZ1 LYS 24 3HZ LYS 24 -4.155 -6.305 13.324 212 HZ2 LYS 24 1HZ LYS 24 -4.328 -4.855 12.548 213 HZ3 LYS 24 2HZ LYS 24 -4.135 -4.900 14.158 214 H GLY 25 H GLY 25 -3.476 -1.430 9.130 215 HA2 GLY 25 1HA GLY 25 -5.867 -1.701 9.535 216 HA3 GLY 25 2HA GLY 25 -5.803 -0.378 10.691 217 H ASP 26 H ASP 26 -4.468 -0.773 7.314 218 HA ASP 26 HA ASP 26 -6.273 1.326 6.340 219 HB2 ASP 26 1HB ASP 26 -3.648 1.884 7.051 220 HB3 ASP 26 2HB ASP 26 -3.397 1.385 5.405 221 H MET 27 H MET 27 -6.128 1.280 3.832 222 HA MET 27 HA MET 27 -5.666 -1.417 2.797 223 HB2 MET 27 1HB MET 27 -8.366 -0.287 3.290 224 HB3 MET 27 2HB MET 27 -8.098 -0.884 1.664 225 HG2 MET 27 1HG MET 27 -7.479 -3.071 2.464 226 HG3 MET 27 2HG MET 27 -7.585 -2.519 4.131 227 HE1 MET 27 3HE MET 27 -9.398 -3.475 0.840 228 HE2 MET 27 1HE MET 27 -11.125 -3.287 1.205 229 HE3 MET 27 2HE MET 27 -10.104 -1.859 0.995 230 H PHE 28 H PHE 28 -5.286 -1.458 0.740 231 HA PHE 28 HA PHE 28 -4.938 1.131 -0.707 232 HB2 PHE 28 1HB PHE 28 -3.274 -1.418 -0.893 233 HB3 PHE 28 2HB PHE 28 -2.954 0.099 -1.712 234 HD1 PHE 28 1HD PHE 28 -2.454 2.200 -0.340 235 HD2 PHE 28 2HD PHE 28 -2.329 -1.816 1.252 236 HE1 PHE 28 1HE PHE 28 -1.017 2.978 1.547 237 HE2 PHE 28 2HE PHE 28 -0.907 -1.026 3.121 238 HZ PHE 28 HZ PHE 28 -0.276 1.355 3.261 239 H ILE 29 H ILE 29 -4.731 0.786 -3.076 240 HA ILE 29 HA ILE 29 -6.398 -1.415 -4.151 241 HB ILE 29 HB ILE 29 -7.302 0.079 -5.799 242 HG12 ILE 29 1HG1 ILE 29 -5.905 2.397 -4.374 243 HG13 ILE 29 2HG1 ILE 29 -5.467 1.764 -5.968 244 HG21 ILE 29 1HG2 ILE 29 -7.743 1.419 -3.100 245 HG22 ILE 29 2HG2 ILE 29 -8.919 1.128 -4.393 246 HG23 ILE 29 3HG2 ILE 29 -8.309 -0.217 -3.427 247 HD11 ILE 29 3HD1 ILE 29 -7.617 2.377 -6.884 248 HD12 ILE 29 1HD1 ILE 29 -8.127 3.055 -5.318 249 HD13 ILE 29 2HD1 ILE 29 -6.767 3.772 -6.200 250 H VAL 30 H VAL 30 -5.203 -2.668 -5.533 251 HA VAL 30 HA VAL 30 -2.488 -1.892 -6.204 252 HB VAL 30 HB VAL 30 -4.314 -3.999 -7.384 253 HG11 VAL 30 1HG1 VAL 30 -1.367 -3.511 -7.999 254 HG12 VAL 30 2HG1 VAL 30 -2.252 -4.983 -8.415 255 HG13 VAL 30 3HG1 VAL 30 -2.717 -3.454 -9.156 256 HG21 VAL 30 3HG2 VAL 30 -1.826 -4.469 -5.738 257 HG22 VAL 30 1HG2 VAL 30 -3.423 -4.246 -4.995 258 HG23 VAL 30 2HG2 VAL 30 -3.161 -5.584 -6.110 259 H HIS 31 H HIS 31 -1.779 -0.554 -7.783 260 HA HIS 31 HA HIS 31 -3.667 0.283 -9.934 261 HB2 HIS 31 1HB HIS 31 -2.065 1.856 -8.023 262 HB3 HIS 31 2HB HIS 31 -1.712 2.260 -9.686 263 HD1 HIS 31 1HD HIS 31 -4.090 2.689 -11.211 264 HD2 HIS 31 2HD HIS 31 -3.997 3.268 -7.054 265 HE1 HIS 31 1HE HIS 31 -6.173 4.102 -10.620 266 H ASN 32 H ASN 32 -0.239 -0.413 -9.037 267 HA ASN 32 HA ASN 32 0.109 -1.592 -11.674 268 HB2 ASN 32 1HB ASN 32 1.178 0.869 -11.475 269 HB3 ASN 32 2HB ASN 32 2.464 0.011 -10.671 270 HD21 ASN 32 1HD2 ASN 32 3.714 -1.641 -12.050 271 HD22 ASN 32 2HD2 ASN 32 3.603 -1.432 -13.759 272 H GLU 33 H GLU 33 2.213 -2.725 -11.583 273 HA GLU 33 HA GLU 33 2.782 -3.928 -8.894 274 HB2 GLU 33 1HB GLU 33 2.111 -5.444 -11.455 275 HB3 GLU 33 2HB GLU 33 2.724 -6.162 -9.957 276 HG2 GLU 33 1HG GLU 33 0.738 -5.271 -8.735 277 HG3 GLU 33 2HG GLU 33 0.095 -4.637 -10.254 278 H LEU 34 H LEU 34 4.879 -4.374 -8.577 279 HA LEU 34 HA LEU 34 6.859 -3.872 -10.763 280 HB2 LEU 34 1HB LEU 34 7.004 -3.084 -7.839 281 HB3 LEU 34 2HB LEU 34 8.289 -2.857 -8.991 282 HG LEU 34 HG LEU 34 5.565 -1.656 -9.635 283 HD11 LEU 34 1HD1 LEU 34 6.109 0.366 -8.459 284 HD12 LEU 34 2HD1 LEU 34 7.568 -0.387 -7.768 285 HD13 LEU 34 3HD1 LEU 34 5.959 -0.995 -7.332 286 HD21 LEU 34 3HD2 LEU 34 7.377 -1.602 -11.323 287 HD22 LEU 34 1HD2 LEU 34 8.417 -0.740 -10.164 288 HD23 LEU 34 2HD2 LEU 34 6.936 0.019 -10.764 289 H GLU 35 H GLU 35 9.212 -4.735 -9.751 290 HA GLU 35 HA GLU 35 8.598 -7.631 -9.386 291 HB2 GLU 35 1HB GLU 35 10.552 -6.177 -11.207 292 HB3 GLU 35 2HB GLU 35 10.585 -7.924 -10.970 293 HG2 GLU 35 1HG GLU 35 8.483 -8.230 -12.023 294 HG3 GLU 35 2HG GLU 35 8.042 -6.532 -11.882 295 H ASP 36 H ASP 36 9.559 -5.473 -7.593 296 HA ASP 36 HA ASP 36 11.870 -6.848 -6.350 297 HB2 ASP 36 1HB ASP 36 12.848 -4.685 -5.812 298 HB3 ASP 36 2HB ASP 36 12.671 -4.933 -7.553 299 H GLY 37 H GLY 37 8.893 -6.894 -5.866 300 HA2 GLY 37 1HA GLY 37 7.847 -7.585 -3.914 301 HA3 GLY 37 2HA GLY 37 9.085 -6.794 -2.931 302 H TRP 38 H TRP 38 7.899 -4.720 -5.372 303 HA TRP 38 HA TRP 38 6.272 -3.257 -3.361 304 HB2 TRP 38 1HB TRP 38 8.070 -2.339 -5.621 305 HB3 TRP 38 2HB TRP 38 7.001 -1.270 -4.741 306 HD1 TRP 38 HD TRP 38 10.281 -3.203 -4.236 307 HE1 TRP 38 1HE TRP 38 11.479 -2.310 -2.163 308 HE3 TRP 38 3HE TRP 38 6.586 -0.247 -2.523 309 HZ2 TRP 38 2HZ TRP 38 10.878 -0.354 -0.040 310 HZ3 TRP 38 3HZ TRP 38 6.810 1.075 -0.471 311 HH2 TRP 38 HH TRP 38 8.998 1.090 0.775 312 H MET 39 H MET 39 4.554 -1.897 -4.187 313 HA MET 39 HA MET 39 3.462 -2.534 -6.875 314 HB2 MET 39 1HB MET 39 1.981 -2.572 -4.216 315 HB3 MET 39 2HB MET 39 1.156 -2.468 -5.777 316 HG2 MET 39 1HG MET 39 1.782 -4.633 -6.425 317 HG3 MET 39 2HG MET 39 3.048 -4.766 -5.198 318 HE1 MET 39 3HE MET 39 1.470 -5.816 -2.008 319 HE2 MET 39 1HE MET 39 2.883 -5.849 -3.078 320 HE3 MET 39 2HE MET 39 2.274 -4.295 -2.480 321 H TRP 40 H TRP 40 2.512 -0.780 -7.789 322 HA TRP 40 HA TRP 40 2.568 1.837 -6.343 323 HB2 TRP 40 1HB TRP 40 2.975 1.656 -8.877 324 HB3 TRP 40 2HB TRP 40 1.240 1.360 -9.024 325 HD1 TRP 40 HD TRP 40 -0.405 3.460 -8.239 326 HE1 TRP 40 1HE TRP 40 0.025 5.960 -8.002 327 HE3 TRP 40 3HE TRP 40 4.660 3.347 -8.393 328 HZ2 TRP 40 2HZ TRP 40 2.365 7.725 -7.735 329 HZ3 TRP 40 3HZ TRP 40 5.989 5.404 -8.051 330 HH2 TRP 40 HH TRP 40 4.866 7.592 -7.712 331 H VAL 41 H VAL 41 0.793 2.692 -5.324 332 HA VAL 41 HA VAL 41 -1.884 1.503 -5.788 333 HB VAL 41 HB VAL 41 -2.241 1.326 -3.389 334 HG11 VAL 41 1HG1 VAL 41 -0.961 -0.646 -2.879 335 HG12 VAL 41 2HG1 VAL 41 -1.325 -0.666 -4.607 336 HG13 VAL 41 3HG1 VAL 41 0.301 -0.221 -4.048 337 HG21 VAL 41 3HG2 VAL 41 -0.623 3.083 -2.624 338 HG22 VAL 41 1HG2 VAL 41 -0.495 1.569 -1.727 339 HG23 VAL 41 2HG2 VAL 41 0.708 1.958 -2.966 340 H THR 42 H THR 42 -3.501 2.771 -4.387 341 HA THR 42 HA THR 42 -2.628 5.512 -3.811 342 HB THR 42 HB THR 42 -5.504 4.783 -4.499 343 HG1 THR 42 1HG THR 42 -5.186 5.639 -6.477 344 HG21 THR 42 3HG2 THR 42 -5.408 6.694 -3.054 345 HG22 THR 42 1HG2 THR 42 -5.640 7.330 -4.688 346 HG23 THR 42 2HG2 THR 42 -4.034 7.394 -3.928 347 H ASN 43 H ASN 43 -3.034 6.033 -1.681 348 HA ASN 43 HA ASN 43 -4.180 3.941 0.069 349 HB2 ASN 43 1HB ASN 43 -1.969 5.048 0.632 350 HB3 ASN 43 2HB ASN 43 -2.847 6.550 0.912 351 HD21 ASN 43 1HD2 ASN 43 -1.713 5.721 3.292 352 HD22 ASN 43 2HD2 ASN 43 -2.884 4.823 4.264 353 H LEU 44 H LEU 44 -6.291 4.091 0.338 354 HA LEU 44 HA LEU 44 -7.788 6.495 -0.303 355 HB2 LEU 44 1HB LEU 44 -8.876 4.066 1.133 356 HB3 LEU 44 2HB LEU 44 -9.727 5.253 0.140 357 HG LEU 44 HG LEU 44 -7.851 3.084 -0.827 358 HD11 LEU 44 1HD1 LEU 44 -9.783 2.163 -1.838 359 HD12 LEU 44 2HD1 LEU 44 -10.750 3.629 -1.536 360 HD13 LEU 44 3HD1 LEU 44 -10.277 2.594 -0.186 361 HD21 LEU 44 3HD2 LEU 44 -9.179 5.278 -2.477 362 HD22 LEU 44 1HD2 LEU 44 -8.389 3.840 -3.138 363 HD23 LEU 44 2HD2 LEU 44 -7.435 5.043 -2.270 364 H ARG 45 H ARG 45 -5.899 5.999 2.352 365 HA ARG 45 HA ARG 45 -7.461 7.215 4.446 366 HB2 ARG 45 1HB ARG 45 -5.181 6.170 4.733 367 HB3 ARG 45 2HB ARG 45 -4.501 7.449 3.744 368 HG2 ARG 45 1HG ARG 45 -4.014 8.410 5.718 369 HG3 ARG 45 2HG ARG 45 -5.655 9.016 5.623 370 HD2 ARG 45 1HD ARG 45 -5.160 8.258 7.826 371 HD3 ARG 45 2HD ARG 45 -6.447 7.271 7.121 372 HE ARG 45 HE ARG 45 -4.215 5.866 6.469 373 HH11 ARG 45 1HH1 ARG 45 -5.175 7.214 9.685 374 HH12 ARG 45 2HH1 ARG 45 -4.557 5.811 10.508 375 HH21 ARG 45 1HH2 ARG 45 -3.459 4.176 7.614 376 HH22 ARG 45 2HH2 ARG 45 -3.564 4.113 9.402 377 H THR 46 H THR 46 -5.569 8.526 1.672 378 HA THR 46 HA THR 46 -6.637 11.254 2.206 379 HB THR 46 HB THR 46 -4.119 11.870 1.796 380 HG1 THR 46 1HG THR 46 -2.735 10.240 2.582 381 HG21 THR 46 3HG2 THR 46 -3.588 11.757 4.141 382 HG22 THR 46 1HG2 THR 46 -4.741 10.469 4.413 383 HG23 THR 46 2HG2 THR 46 -5.324 12.106 4.005 384 H ASP 47 H ASP 47 -5.862 8.884 -0.178 385 HA ASP 47 HA ASP 47 -5.841 8.871 -2.407 386 HB2 ASP 47 1HB ASP 47 -7.352 10.950 -2.397 387 HB3 ASP 47 2HB ASP 47 -5.873 11.875 -2.727 388 H GLU 48 H GLU 48 -3.599 9.440 -0.323 389 HA GLU 48 HA GLU 48 -1.384 10.499 -1.832 390 HB2 GLU 48 1HB GLU 48 -1.751 8.668 0.551 391 HB3 GLU 48 2HB GLU 48 -0.165 8.818 -0.198 392 HG2 GLU 48 1HG GLU 48 -0.013 11.143 0.237 393 HG3 GLU 48 2HG GLU 48 -1.717 11.264 0.686 394 H GLN 49 H GLN 49 -0.707 9.640 -3.736 395 HA GLN 49 HA GLN 49 -0.955 6.714 -4.192 396 HB2 GLN 49 1HB GLN 49 -0.246 9.106 -5.999 397 HB3 GLN 49 2HB GLN 49 0.113 7.444 -6.460 398 HG2 GLN 49 1HG GLN 49 -1.885 7.312 -7.359 399 HG3 GLN 49 2HG GLN 49 -2.520 7.224 -5.727 400 HE21 GLN 49 1HE2 GLN 49 -4.216 8.534 -5.478 401 HE22 GLN 49 2HE2 GLN 49 -4.465 10.124 -6.078 402 H GLY 50 H GLY 50 0.889 5.464 -4.644 403 HA2 GLY 50 1HA GLY 50 3.430 6.226 -5.085 404 HA3 GLY 50 2HA GLY 50 3.305 6.413 -3.324 405 H LEU 51 H LEU 51 5.014 4.843 -3.488 406 HA LEU 51 HA LEU 51 4.293 2.075 -4.170 407 HB2 LEU 51 1HB LEU 51 6.894 3.293 -3.125 408 HB3 LEU 51 2HB LEU 51 6.691 1.635 -3.657 409 HG LEU 51 HG LEU 51 6.299 4.062 -5.431 410 HD11 LEU 51 1HD1 LEU 51 8.548 2.012 -5.427 411 HD12 LEU 51 2HD1 LEU 51 8.676 3.662 -4.779 412 HD13 LEU 51 3HD1 LEU 51 8.370 3.416 -6.509 413 HD21 LEU 51 3HD2 LEU 51 4.913 2.257 -6.248 414 HD22 LEU 51 1HD2 LEU 51 6.217 1.080 -5.993 415 HD23 LEU 51 2HD2 LEU 51 6.361 2.325 -7.259 416 H ILE 52 H ILE 52 4.065 0.416 -2.818 417 HA ILE 52 HA ILE 52 4.676 0.624 0.051 418 HB ILE 52 HB ILE 52 2.635 -0.496 0.713 419 HG12 ILE 52 1HG1 ILE 52 0.786 -0.232 -1.356 420 HG13 ILE 52 2HG1 ILE 52 2.247 -0.775 -2.192 421 HG21 ILE 52 1HG2 ILE 52 2.624 1.961 0.767 422 HG22 ILE 52 2HG2 ILE 52 1.976 2.007 -0.890 423 HG23 ILE 52 3HG2 ILE 52 1.008 1.307 0.417 424 HD11 ILE 52 3HD1 ILE 52 2.345 -2.739 -0.651 425 HD12 ILE 52 1HD1 ILE 52 0.914 -2.119 0.200 426 HD13 ILE 52 2HD1 ILE 52 0.780 -2.650 -1.486 427 H VAL 53 H VAL 53 5.185 -1.439 0.968 428 HA VAL 53 HA VAL 53 6.146 -3.347 -1.050 429 HB VAL 53 HB VAL 53 7.584 -2.225 0.701 430 HG11 VAL 53 1HG1 VAL 53 6.050 -2.456 2.653 431 HG12 VAL 53 2HG1 VAL 53 6.304 -4.194 2.630 432 HG13 VAL 53 3HG1 VAL 53 7.669 -3.101 2.961 433 HG21 VAL 53 3HG2 VAL 53 8.964 -4.192 1.147 434 HG22 VAL 53 1HG2 VAL 53 7.640 -5.260 0.628 435 HG23 VAL 53 2HG2 VAL 53 8.394 -4.147 -0.526 436 H GLU 54 H GLU 54 5.698 -5.555 -1.051 437 HA GLU 54 HA GLU 54 3.106 -6.388 -0.250 438 HB2 GLU 54 1HB GLU 54 3.726 -8.503 -1.177 439 HB3 GLU 54 2HB GLU 54 4.367 -7.204 -2.197 440 HG2 GLU 54 1HG GLU 54 6.610 -7.517 -1.015 441 HG3 GLU 54 2HG GLU 54 5.928 -8.926 -0.216 442 H ASP 55 H ASP 55 6.017 -6.276 1.453 443 HA ASP 55 HA ASP 55 6.103 -8.600 2.995 444 HB2 ASP 55 1HB ASP 55 7.820 -6.751 2.516 445 HB3 ASP 55 2HB ASP 55 7.096 -5.865 3.843 446 H LEU 56 H LEU 56 3.934 -5.970 3.281 447 HA LEU 56 HA LEU 56 3.299 -6.502 6.153 448 HB2 LEU 56 1HB LEU 56 3.426 -3.829 4.713 449 HB3 LEU 56 2HB LEU 56 3.085 -4.072 6.427 450 HG LEU 56 HG LEU 56 5.728 -4.667 5.042 451 HD11 LEU 56 1HD1 LEU 56 5.311 -2.283 5.191 452 HD12 LEU 56 2HD1 LEU 56 6.590 -2.785 6.304 453 HD13 LEU 56 3HD1 LEU 56 4.958 -2.424 6.931 454 HD21 LEU 56 3HD2 LEU 56 6.700 -5.028 7.215 455 HD22 LEU 56 1HD2 LEU 56 5.348 -6.141 7.050 456 HD23 LEU 56 2HD2 LEU 56 5.171 -4.662 8.026 457 H VAL 57 H VAL 57 1.859 -7.182 3.372 458 HA VAL 57 HA VAL 57 -0.781 -6.098 4.164 459 HB VAL 57 HB VAL 57 -1.290 -5.915 1.699 460 HG11 VAL 57 1HG1 VAL 57 -0.996 -3.901 2.977 461 HG12 VAL 57 2HG1 VAL 57 0.779 -3.999 2.826 462 HG13 VAL 57 3HG1 VAL 57 -0.242 -3.710 1.401 463 HG21 VAL 57 3HG2 VAL 57 0.740 -7.212 0.898 464 HG22 VAL 57 1HG2 VAL 57 0.461 -5.664 0.094 465 HG23 VAL 57 2HG2 VAL 57 1.724 -5.800 1.341 466 H GLU 58 H GLU 58 -2.631 -7.242 3.538 467 HA GLU 58 HA GLU 58 -2.293 -10.061 2.635 468 HB2 GLU 58 1HB GLU 58 -3.925 -10.762 4.274 469 HB3 GLU 58 2HB GLU 58 -2.657 -9.903 5.148 470 HG2 GLU 58 1HG GLU 58 -4.113 -7.856 5.167 471 HG3 GLU 58 2HG GLU 58 -5.384 -8.756 4.343 472 H GLU 59 H GLU 59 -3.759 -10.851 1.449 473 HA GLU 59 HA GLU 59 -5.236 -9.390 -0.340 474 HB2 GLU 59 1HB GLU 59 -4.180 -11.980 0.147 475 HB3 GLU 59 2HB GLU 59 -5.899 -12.271 0.113 476 HG2 GLU 59 1HG GLU 59 -4.739 -10.519 -2.031 477 HG3 GLU 59 2HG GLU 59 -4.285 -12.219 -2.005 478 H VAL 60 H VAL 60 -6.865 -8.085 0.460 479 HA VAL 60 HA VAL 60 -9.026 -9.476 1.939 480 HB VAL 60 HB VAL 60 -7.901 -7.616 3.022 481 HG11 VAL 60 1HG1 VAL 60 -7.647 -6.044 1.093 482 HG12 VAL 60 2HG1 VAL 60 -9.417 -5.851 1.039 483 HG13 VAL 60 3HG1 VAL 60 -8.522 -5.298 2.443 484 HG21 VAL 60 3HG2 VAL 60 -10.107 -8.386 3.703 485 HG22 VAL 60 1HG2 VAL 60 -9.853 -6.659 3.990 486 HG23 VAL 60 2HG2 VAL 60 -10.840 -7.191 2.603 487 H GLY 61 H GLY 61 -10.842 -9.750 1.189 488 HA2 GLY 61 1HA GLY 61 -11.391 -9.251 -1.662 489 HA3 GLY 61 2HA GLY 61 -12.303 -10.290 -0.573 490 H ARG 62 H ARG 62 -11.818 -7.193 0.774 491 HA ARG 62 HA ARG 62 -14.658 -6.762 0.859 492 HB2 ARG 62 1HB ARG 62 -12.280 -5.170 1.881 493 HB3 ARG 62 2HB ARG 62 -13.947 -4.609 2.066 494 HG2 ARG 62 1HG ARG 62 -14.563 -6.584 3.333 495 HG3 ARG 62 2HG ARG 62 -13.043 -7.369 3.001 496 HD2 ARG 62 1HD ARG 62 -13.023 -6.611 5.265 497 HD3 ARG 62 2HD ARG 62 -11.843 -5.660 4.358 498 HE ARG 62 HE ARG 62 -13.813 -3.975 4.174 499 HH11 ARG 62 1HH1 ARG 62 -13.119 -5.916 7.149 500 HH12 ARG 62 2HH1 ARG 62 -14.016 -4.831 8.142 501 HH21 ARG 62 1HH2 ARG 62 -14.650 -2.432 5.650 502 HH22 ARG 62 2HH2 ARG 62 -14.575 -2.740 7.360 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -7.211 -8.346 -13.481 2 HA2 GLY 1 1HA GLY 1 -9.092 -6.102 -13.941 3 HA3 GLY 1 2HA GLY 1 -9.358 -7.378 -12.752 4 H ARG 2 H ARG 2 -9.536 -5.225 -11.427 5 HA ARG 2 HA ARG 2 -6.851 -4.458 -10.308 6 HB2 ARG 2 1HB ARG 2 -9.147 -2.810 -11.262 7 HB3 ARG 2 2HB ARG 2 -8.752 -2.492 -9.601 8 HG2 ARG 2 1HG ARG 2 -7.437 -0.942 -10.768 9 HG3 ARG 2 2HG ARG 2 -6.307 -2.218 -10.323 10 HD2 ARG 2 1HD ARG 2 -5.786 -1.711 -12.553 11 HD3 ARG 2 2HD ARG 2 -6.710 -3.218 -12.646 12 HE ARG 2 HE ARG 2 -8.525 -1.049 -12.906 13 HH11 ARG 2 1HH1 ARG 2 -5.916 -2.578 -14.763 14 HH12 ARG 2 2HH1 ARG 2 -6.491 -2.076 -16.303 15 HH21 ARG 2 1HH2 ARG 2 -9.152 -0.162 -14.898 16 HH22 ARG 2 2HH2 ARG 2 -8.518 -0.797 -16.390 17 H ARG 3 H ARG 3 -6.637 -5.022 -7.988 18 HA ARG 3 HA ARG 3 -9.208 -5.297 -6.570 19 HB2 ARG 3 1HB ARG 3 -8.502 -7.278 -5.449 20 HB3 ARG 3 2HB ARG 3 -8.473 -7.481 -7.182 21 HG2 ARG 3 1HG ARG 3 -6.657 -8.640 -6.579 22 HG3 ARG 3 2HG ARG 3 -5.949 -7.133 -7.101 23 HD2 ARG 3 1HD ARG 3 -4.784 -7.907 -5.150 24 HD3 ARG 3 2HD ARG 3 -5.662 -6.469 -4.693 25 HE ARG 3 HE ARG 3 -6.835 -7.671 -3.159 26 HH11 ARG 3 1HH1 ARG 3 -5.212 -10.015 -5.347 27 HH12 ARG 3 2HH1 ARG 3 -5.565 -11.343 -4.285 28 HH21 ARG 3 1HH2 ARG 3 -7.624 -9.563 -2.047 29 HH22 ARG 3 2HH2 ARG 3 -7.011 -11.119 -2.530 30 H ARG 4 H ARG 4 -8.365 -5.657 -4.056 31 HA ARG 4 HA ARG 4 -6.492 -3.411 -3.518 32 HB2 ARG 4 1HB ARG 4 -9.130 -4.067 -2.119 33 HB3 ARG 4 2HB ARG 4 -8.071 -2.680 -1.812 34 HG2 ARG 4 1HG ARG 4 -8.417 -2.041 -4.260 35 HG3 ARG 4 2HG ARG 4 -9.748 -3.206 -4.290 36 HD2 ARG 4 1HD ARG 4 -9.461 -0.930 -2.334 37 HD3 ARG 4 2HD ARG 4 -10.336 -0.885 -3.874 38 HE ARG 4 HE ARG 4 -11.569 -2.931 -2.827 39 HH11 ARG 4 1HH1 ARG 4 -10.908 0.188 -1.255 40 HH12 ARG 4 2HH1 ARG 4 -12.420 0.283 -0.456 41 HH21 ARG 4 1HH2 ARG 4 -13.553 -2.784 -2.014 42 HH22 ARG 4 2HH2 ARG 4 -14.119 -1.428 -1.079 43 H VAL 5 H VAL 5 -5.361 -3.493 -1.489 44 HA VAL 5 HA VAL 5 -5.296 -6.163 -0.270 45 HB VAL 5 HB VAL 5 -2.884 -6.011 0.104 46 HG11 VAL 5 1HG1 VAL 5 -3.612 -5.853 -2.863 47 HG12 VAL 5 2HG1 VAL 5 -2.201 -6.649 -2.140 48 HG13 VAL 5 3HG1 VAL 5 -3.813 -7.288 -1.823 49 HG21 VAL 5 3HG2 VAL 5 -2.472 -3.630 -0.001 50 HG22 VAL 5 1HG2 VAL 5 -1.525 -4.428 -1.257 51 HG23 VAL 5 2HG2 VAL 5 -3.003 -3.558 -1.699 52 H ARG 6 H ARG 6 -4.150 -5.861 2.079 53 HA ARG 6 HA ARG 6 -4.958 -3.210 3.222 54 HB2 ARG 6 1HB ARG 6 -6.845 -4.781 3.143 55 HB3 ARG 6 2HB ARG 6 -5.928 -5.971 4.071 56 HG2 ARG 6 1HG ARG 6 -5.942 -4.541 6.013 57 HG3 ARG 6 2HG ARG 6 -6.532 -3.169 5.083 58 HD2 ARG 6 1HD ARG 6 -8.279 -5.562 4.810 59 HD3 ARG 6 2HD ARG 6 -8.143 -5.046 6.464 60 HE ARG 6 HE ARG 6 -9.563 -3.719 4.360 61 HH11 ARG 6 1HH1 ARG 6 -7.765 -3.149 7.375 62 HH12 ARG 6 2HH1 ARG 6 -8.149 -1.462 7.440 63 HH21 ARG 6 1HH2 ARG 6 -10.502 -1.546 4.772 64 HH22 ARG 6 2HH2 ARG 6 -10.044 -0.729 6.206 65 H ALA 7 H ALA 7 -3.518 -2.435 4.764 66 HA ALA 7 HA ALA 7 -1.119 -3.915 5.361 67 HB1 ALA 7 1HB ALA 7 -1.225 -1.399 5.286 68 HB2 ALA 7 2HB ALA 7 -2.310 -1.424 6.682 69 HB3 ALA 7 3HB ALA 7 -0.646 -2.010 6.833 70 H ILE 8 H ILE 8 -0.654 -5.119 7.024 71 HA ILE 8 HA ILE 8 -2.482 -5.073 9.371 72 HB ILE 8 HB ILE 8 -2.218 -7.331 9.838 73 HG12 ILE 8 1HG1 ILE 8 0.071 -7.649 8.834 74 HG13 ILE 8 2HG1 ILE 8 -1.070 -8.964 8.745 75 HG21 ILE 8 1HG2 ILE 8 -3.578 -8.271 8.052 76 HG22 ILE 8 2HG2 ILE 8 -4.021 -6.584 8.403 77 HG23 ILE 8 3HG2 ILE 8 -3.079 -6.984 6.937 78 HD11 ILE 8 3HD1 ILE 8 0.312 -8.618 6.656 79 HD12 ILE 8 1HD1 ILE 8 -1.433 -8.711 6.422 80 HD13 ILE 8 2HD1 ILE 8 -0.628 -7.141 6.378 81 H LEU 9 H LEU 9 0.407 -3.934 8.410 82 HA LEU 9 HA LEU 9 1.097 -3.466 11.207 83 HB2 LEU 9 1HB LEU 9 3.005 -4.661 9.165 84 HB3 LEU 9 2HB LEU 9 3.602 -3.758 10.529 85 HG LEU 9 HG LEU 9 1.991 -6.344 10.762 86 HD11 LEU 9 1HD1 LEU 9 4.193 -6.741 9.824 87 HD12 LEU 9 2HD1 LEU 9 4.153 -7.304 11.495 88 HD13 LEU 9 3HD1 LEU 9 4.955 -5.760 11.097 89 HD21 LEU 9 3HD2 LEU 9 2.705 -6.275 13.138 90 HD22 LEU 9 1HD2 LEU 9 1.674 -4.902 12.745 91 HD23 LEU 9 2HD2 LEU 9 3.431 -4.677 12.873 92 HA PRO 10 HA PRO 10 1.889 0.491 9.278 93 HB2 PRO 10 1HB PRO 10 3.274 1.766 11.206 94 HB3 PRO 10 2HB PRO 10 1.603 1.218 11.546 95 HG2 PRO 10 1HG PRO 10 4.187 -0.166 12.303 96 HG3 PRO 10 2HG PRO 10 2.742 0.126 13.325 97 HD2 PRO 10 1HD PRO 10 3.203 -2.228 12.028 98 HD3 PRO 10 2HD PRO 10 1.582 -1.609 12.421 99 H TYR 11 H TYR 11 3.582 1.761 8.350 100 HA TYR 11 HA TYR 11 6.306 0.724 8.461 101 HB2 TYR 11 1HB TYR 11 4.998 -0.545 6.663 102 HB3 TYR 11 2HB TYR 11 4.817 0.968 5.822 103 HD1 TYR 11 1HD TYR 11 7.616 -0.994 7.486 104 HD2 TYR 11 2HD TYR 11 6.314 1.265 4.069 105 HE1 TYR 11 1HE TYR 11 9.868 -1.243 6.443 106 HE2 TYR 11 2HE TYR 11 8.586 1.146 3.094 107 HH TYR 11 HH TYR 11 11.000 0.824 4.152 108 H THR 12 H THR 12 7.547 2.281 6.631 109 HA THR 12 HA THR 12 6.549 5.009 6.969 110 HB THR 12 HB THR 12 7.792 4.154 9.057 111 HG1 THR 12 1HG THR 12 8.328 6.054 9.489 112 HG21 THR 12 3HG2 THR 12 10.214 4.472 9.043 113 HG22 THR 12 1HG2 THR 12 10.163 4.842 7.304 114 HG23 THR 12 2HG2 THR 12 9.758 3.205 7.881 115 H LYS 13 H LYS 13 7.156 6.193 5.232 116 HA LYS 13 HA LYS 13 8.465 4.831 3.048 117 HB2 LYS 13 1HB LYS 13 8.199 6.787 1.772 118 HB3 LYS 13 2HB LYS 13 6.691 6.454 2.597 119 HG2 LYS 13 1HG LYS 13 7.113 8.329 4.128 120 HG3 LYS 13 2HG LYS 13 8.724 8.577 3.448 121 HD2 LYS 13 1HD LYS 13 6.212 8.792 1.771 122 HD3 LYS 13 2HD LYS 13 6.916 10.156 2.620 123 HE2 LYS 13 1HE LYS 13 9.016 9.971 1.390 124 HE3 LYS 13 2HE LYS 13 8.506 8.451 0.649 125 HZ1 LYS 13 3HZ LYS 13 7.257 11.072 0.113 126 HZ2 LYS 13 1HZ LYS 13 6.776 9.604 -0.495 127 HZ3 LYS 13 2HZ LYS 13 8.237 10.201 -0.902 128 H VAL 14 H VAL 14 10.508 5.098 2.155 129 HA VAL 14 HA VAL 14 12.638 6.266 3.745 130 HB VAL 14 HB VAL 14 12.413 5.493 0.812 131 HG11 VAL 14 1HG1 VAL 14 14.808 5.438 0.683 132 HG12 VAL 14 2HG1 VAL 14 14.370 7.038 1.247 133 HG13 VAL 14 3HG1 VAL 14 14.987 5.846 2.409 134 HG21 VAL 14 3HG2 VAL 14 13.554 3.932 3.169 135 HG22 VAL 14 1HG2 VAL 14 12.084 3.535 2.248 136 HG23 VAL 14 2HG2 VAL 14 13.660 3.450 1.468 137 HA PRO 15 HA PRO 15 11.873 10.533 2.505 138 HB2 PRO 15 1HB PRO 15 14.382 11.601 3.024 139 HB3 PRO 15 2HB PRO 15 13.151 11.279 4.254 140 HG2 PRO 15 1HG PRO 15 15.514 9.556 3.445 141 HG3 PRO 15 2HG PRO 15 14.924 9.885 5.103 142 HD2 PRO 15 1HD PRO 15 14.370 7.592 3.848 143 HD3 PRO 15 2HD PRO 15 13.186 8.398 4.926 144 H ASP 16 H ASP 16 12.244 11.787 0.687 145 HA ASP 16 HA ASP 16 12.728 12.294 -1.394 146 HB2 ASP 16 1HB ASP 16 14.967 12.669 -0.446 147 HB3 ASP 16 2HB ASP 16 15.461 11.065 -1.013 148 H THR 17 H THR 17 11.211 10.004 -1.068 149 HA THR 17 HA THR 17 11.864 8.590 -3.588 150 HB THR 17 HB THR 17 11.279 6.455 -2.714 151 HG1 THR 17 1HG THR 17 11.007 7.490 -0.095 152 HG21 THR 17 3HG2 THR 17 13.093 5.949 -1.252 153 HG22 THR 17 1HG2 THR 17 13.164 7.620 -0.634 154 HG23 THR 17 2HG2 THR 17 13.645 7.265 -2.293 155 H ASP 18 H ASP 18 9.949 7.386 -4.381 156 HA ASP 18 HA ASP 18 7.614 9.061 -4.548 157 HB2 ASP 18 1HB ASP 18 8.145 6.257 -5.612 158 HB3 ASP 18 2HB ASP 18 6.901 7.377 -6.167 159 H GLU 19 H GLU 19 8.561 6.714 -2.280 160 HA GLU 19 HA GLU 19 6.273 5.099 -1.887 161 HB2 GLU 19 1HB GLU 19 8.501 6.054 -0.103 162 HB3 GLU 19 2HB GLU 19 7.318 4.852 0.404 163 HG2 GLU 19 1HG GLU 19 8.145 3.295 -1.291 164 HG3 GLU 19 2HG GLU 19 9.270 4.525 -1.912 165 H ILE 20 H ILE 20 4.916 5.122 0.159 166 HA ILE 20 HA ILE 20 4.341 7.793 1.306 167 HB ILE 20 HB ILE 20 1.889 7.072 1.288 168 HG12 ILE 20 1HG1 ILE 20 2.723 5.449 -1.164 169 HG13 ILE 20 2HG1 ILE 20 2.334 4.732 0.393 170 HG21 ILE 20 1HG2 ILE 20 2.846 8.981 0.064 171 HG22 ILE 20 2HG2 ILE 20 3.221 7.920 -1.308 172 HG23 ILE 20 3HG2 ILE 20 1.536 8.242 -0.846 173 HD11 ILE 20 3HD1 ILE 20 0.053 5.690 0.278 174 HD12 ILE 20 1HD1 ILE 20 0.415 6.328 -1.341 175 HD13 ILE 20 2HD1 ILE 20 0.415 4.583 -1.053 176 H SER 21 H SER 21 3.953 7.719 3.546 177 HA SER 21 HA SER 21 4.572 5.190 4.905 178 HB2 SER 21 1HB SER 21 4.396 6.975 6.864 179 HB3 SER 21 2HB SER 21 5.846 6.740 5.912 180 HG SER 21 HG SER 21 5.456 8.893 6.028 181 H PHE 22 H PHE 22 2.928 3.965 5.800 182 HA PHE 22 HA PHE 22 0.667 5.408 6.995 183 HB2 PHE 22 1HB PHE 22 0.054 3.644 4.629 184 HB3 PHE 22 2HB PHE 22 -1.131 3.984 5.871 185 HD1 PHE 22 1HD PHE 22 -1.253 6.572 6.626 186 HD2 PHE 22 2HD PHE 22 0.006 5.166 2.750 187 HE1 PHE 22 1HE PHE 22 -1.418 8.881 5.700 188 HE2 PHE 22 2HE PHE 22 -0.342 7.434 1.818 189 HZ PHE 22 HZ PHE 22 -1.041 9.290 3.295 190 H LEU 23 H LEU 23 -1.064 3.769 7.974 191 HA LEU 23 HA LEU 23 0.718 2.441 9.891 192 HB2 LEU 23 1HB LEU 23 -2.223 3.200 10.085 193 HB3 LEU 23 2HB LEU 23 -1.281 2.514 11.376 194 HG LEU 23 HG LEU 23 -1.472 4.740 11.896 195 HD11 LEU 23 1HD1 LEU 23 0.803 3.811 12.248 196 HD12 LEU 23 2HD1 LEU 23 0.801 5.565 12.027 197 HD13 LEU 23 3HD1 LEU 23 1.322 4.519 10.700 198 HD21 LEU 23 3HD2 LEU 23 -0.981 6.646 10.552 199 HD22 LEU 23 1HD2 LEU 23 -2.099 5.613 9.635 200 HD23 LEU 23 2HD2 LEU 23 -0.371 5.669 9.227 201 H LYS 24 H LYS 24 -0.671 0.633 11.174 202 HA LYS 24 HA LYS 24 -1.289 -1.658 9.488 203 HB2 LYS 24 1HB LYS 24 -0.411 -1.900 11.773 204 HB3 LYS 24 2HB LYS 24 -1.735 -0.946 12.437 205 HG2 LYS 24 1HG LYS 24 -3.334 -2.681 12.010 206 HG3 LYS 24 2HG LYS 24 -2.198 -3.575 10.997 207 HD2 LYS 24 1HD LYS 24 -0.693 -3.871 12.986 208 HD3 LYS 24 2HD LYS 24 -1.874 -3.041 13.979 209 HE2 LYS 24 1HE LYS 24 -2.276 -5.696 12.532 210 HE3 LYS 24 2HE LYS 24 -1.960 -5.472 14.251 211 HZ1 LYS 24 3HZ LYS 24 -4.093 -4.094 14.207 212 HZ2 LYS 24 1HZ LYS 24 -4.211 -5.744 14.131 213 HZ3 LYS 24 2HZ LYS 24 -4.424 -4.872 12.787 214 H GLY 25 H GLY 25 -3.466 -2.383 9.029 215 HA2 GLY 25 1HA GLY 25 -5.710 -2.342 8.925 216 HA3 GLY 25 2HA GLY 25 -5.749 -1.095 10.177 217 H ASP 26 H ASP 26 -3.711 0.214 7.908 218 HA ASP 26 HA ASP 26 -5.742 1.743 6.477 219 HB2 ASP 26 1HB ASP 26 -2.716 1.658 6.637 220 HB3 ASP 26 2HB ASP 26 -3.439 2.231 5.158 221 H MET 27 H MET 27 -5.948 1.539 4.090 222 HA MET 27 HA MET 27 -5.434 -1.211 3.083 223 HB2 MET 27 1HB MET 27 -7.615 -0.991 4.150 224 HB3 MET 27 2HB MET 27 -8.079 0.251 2.964 225 HG2 MET 27 1HG MET 27 -7.557 -1.408 1.187 226 HG3 MET 27 2HG MET 27 -7.162 -2.595 2.430 227 HE1 MET 27 3HE MET 27 -9.571 -2.323 -0.189 228 HE2 MET 27 1HE MET 27 -8.322 -3.436 0.411 229 HE3 MET 27 2HE MET 27 -10.029 -3.933 0.433 230 H PHE 28 H PHE 28 -5.374 -1.357 0.829 231 HA PHE 28 HA PHE 28 -4.724 1.199 -0.586 232 HB2 PHE 28 1HB PHE 28 -3.066 -1.353 -0.610 233 HB3 PHE 28 2HB PHE 28 -2.712 0.117 -1.493 234 HD1 PHE 28 2HD PHE 28 -2.157 2.255 -0.205 235 HD2 PHE 28 1HD PHE 28 -2.177 -1.684 1.560 236 HE1 PHE 28 2HE PHE 28 -0.683 3.057 1.636 237 HE2 PHE 28 1HE PHE 28 -0.686 -0.875 3.363 238 HZ PHE 28 HZ PHE 28 0.014 1.495 3.435 239 H ILE 29 H ILE 29 -4.812 1.006 -2.922 240 HA ILE 29 HA ILE 29 -6.164 -1.470 -3.894 241 HB ILE 29 HB ILE 29 -7.247 -0.305 -5.531 242 HG12 ILE 29 1HG1 ILE 29 -5.667 2.223 -4.951 243 HG13 ILE 29 2HG1 ILE 29 -5.346 1.158 -6.323 244 HG21 ILE 29 1HG2 ILE 29 -7.325 1.757 -3.316 245 HG22 ILE 29 2HG2 ILE 29 -8.674 1.094 -4.263 246 HG23 ILE 29 3HG2 ILE 29 -7.864 0.113 -3.029 247 HD11 ILE 29 3HD1 ILE 29 -6.773 3.164 -6.817 248 HD12 ILE 29 1HD1 ILE 29 -7.400 1.584 -7.362 249 HD13 ILE 29 2HD1 ILE 29 -8.078 2.378 -5.933 250 H VAL 30 H VAL 30 -5.209 -2.672 -5.500 251 HA VAL 30 HA VAL 30 -2.392 -2.069 -6.078 252 HB VAL 30 HB VAL 30 -2.877 -4.395 -5.905 253 HG11 VAL 30 1HG1 VAL 30 -4.960 -4.842 -6.026 254 HG12 VAL 30 2HG1 VAL 30 -5.177 -4.088 -7.670 255 HG13 VAL 30 3HG1 VAL 30 -4.312 -5.635 -7.455 256 HG21 VAL 30 3HG2 VAL 30 -2.019 -5.292 -7.947 257 HG22 VAL 30 1HG2 VAL 30 -2.577 -3.885 -8.870 258 HG23 VAL 30 2HG2 VAL 30 -1.258 -3.722 -7.687 259 H HIS 31 H HIS 31 -1.775 -0.593 -7.615 260 HA HIS 31 HA HIS 31 -3.603 -0.146 -9.922 261 HB2 HIS 31 1HB HIS 31 -2.390 1.675 -7.982 262 HB3 HIS 31 2HB HIS 31 -1.846 2.056 -9.599 263 HD1 HIS 31 1HD HIS 31 -4.503 1.644 -11.302 264 HD2 HIS 31 2HD HIS 31 -4.147 3.402 -7.492 265 HE1 HIS 31 1HE HIS 31 -6.380 3.345 -11.136 266 H ASN 32 H ASN 32 -0.244 -0.931 -8.981 267 HA ASN 32 HA ASN 32 0.064 -1.957 -11.627 268 HB2 ASN 32 1HB ASN 32 0.954 0.391 -11.894 269 HB3 ASN 32 2HB ASN 32 2.213 0.031 -10.718 270 HD21 ASN 32 1HD2 ASN 32 4.125 -0.967 -11.623 271 HD22 ASN 32 2HD2 ASN 32 4.166 -1.542 -13.263 272 H GLU 33 H GLU 33 1.909 -3.224 -11.714 273 HA GLU 33 HA GLU 33 2.753 -4.325 -9.040 274 HB2 GLU 33 1HB GLU 33 2.114 -5.882 -11.571 275 HB3 GLU 33 2HB GLU 33 2.766 -6.549 -10.084 276 HG2 GLU 33 1HG GLU 33 0.602 -6.921 -9.553 277 HG3 GLU 33 2HG GLU 33 0.636 -5.238 -9.026 278 H LEU 34 H LEU 34 4.780 -4.274 -8.670 279 HA LEU 34 HA LEU 34 6.695 -3.723 -10.903 280 HB2 LEU 34 1HB LEU 34 6.930 -3.152 -7.947 281 HB3 LEU 34 2HB LEU 34 8.131 -2.736 -9.140 282 HG LEU 34 HG LEU 34 5.292 -1.744 -9.592 283 HD11 LEU 34 1HD1 LEU 34 5.641 0.241 -8.326 284 HD12 LEU 34 2HD1 LEU 34 7.218 -0.361 -7.733 285 HD13 LEU 34 3HD1 LEU 34 5.707 -1.171 -7.271 286 HD21 LEU 34 3HD2 LEU 34 7.967 -0.426 -10.108 287 HD22 LEU 34 1HD2 LEU 34 6.356 0.111 -10.657 288 HD23 LEU 34 2HD2 LEU 34 7.065 -1.385 -11.296 289 H GLU 35 H GLU 35 9.086 -4.514 -9.675 290 HA GLU 35 HA GLU 35 8.800 -7.494 -9.696 291 HB2 GLU 35 1HB GLU 35 10.525 -5.686 -11.438 292 HB3 GLU 35 2HB GLU 35 10.721 -7.438 -11.278 293 HG2 GLU 35 1HG GLU 35 8.540 -7.874 -12.229 294 HG3 GLU 35 2HG GLU 35 8.150 -6.144 -12.259 295 H ASP 36 H ASP 36 9.262 -5.749 -7.557 296 HA ASP 36 HA ASP 36 11.840 -6.666 -6.475 297 HB2 ASP 36 1HB ASP 36 12.427 -4.672 -7.762 298 HB3 ASP 36 2HB ASP 36 11.233 -3.716 -6.889 299 H GLY 37 H GLY 37 9.013 -7.128 -5.797 300 HA2 GLY 37 1HA GLY 37 7.746 -7.344 -3.903 301 HA3 GLY 37 2HA GLY 37 9.121 -6.751 -2.971 302 H TRP 38 H TRP 38 7.231 -5.018 -5.513 303 HA TRP 38 HA TRP 38 6.348 -3.013 -3.501 304 HB2 TRP 38 1HB TRP 38 8.018 -2.448 -5.995 305 HB3 TRP 38 2HB TRP 38 7.015 -1.235 -5.219 306 HD1 TRP 38 HD TRP 38 10.431 -2.671 -5.039 307 HE1 TRP 38 1HE TRP 38 11.715 -1.726 -3.069 308 HE3 TRP 38 3HE TRP 38 6.616 -0.263 -2.741 309 HZ2 TRP 38 2HZ TRP 38 11.104 -0.235 -0.630 310 HZ3 TRP 38 3HZ TRP 38 6.951 0.941 -0.595 311 HH2 TRP 38 HH TRP 38 9.214 0.931 0.494 312 H MET 39 H MET 39 4.546 -1.798 -4.235 313 HA MET 39 HA MET 39 3.455 -2.405 -6.939 314 HB2 MET 39 1HB MET 39 1.865 -2.429 -4.351 315 HB3 MET 39 2HB MET 39 1.155 -2.491 -5.963 316 HG2 MET 39 1HG MET 39 2.016 -4.659 -6.411 317 HG3 MET 39 2HG MET 39 3.139 -4.609 -5.060 318 HE1 MET 39 3HE MET 39 1.107 -3.551 -2.556 319 HE2 MET 39 1HE MET 39 1.113 -5.209 -1.912 320 HE3 MET 39 2HE MET 39 2.582 -4.518 -2.644 321 H TRP 40 H TRP 40 2.552 -0.601 -7.866 322 HA TRP 40 HA TRP 40 2.581 1.973 -6.371 323 HB2 TRP 40 1HB TRP 40 3.010 1.860 -8.906 324 HB3 TRP 40 2HB TRP 40 1.284 1.523 -9.080 325 HD1 TRP 40 HD TRP 40 -0.400 3.584 -8.492 326 HE1 TRP 40 1HE TRP 40 -0.069 6.086 -8.117 327 HE3 TRP 40 3HE TRP 40 4.655 3.600 -8.112 328 HZ2 TRP 40 2HZ TRP 40 2.186 7.894 -7.625 329 HZ3 TRP 40 3HZ TRP 40 5.904 5.717 -7.665 330 HH2 TRP 40 HH TRP 40 4.682 7.852 -7.410 331 H VAL 41 H VAL 41 0.741 2.847 -5.428 332 HA VAL 41 HA VAL 41 -1.799 1.371 -5.755 333 HB VAL 41 HB VAL 41 -2.072 1.227 -3.332 334 HG11 VAL 41 1HG1 VAL 41 0.576 -0.084 -4.025 335 HG12 VAL 41 2HG1 VAL 41 -0.631 -0.609 -2.836 336 HG13 VAL 41 3HG1 VAL 41 -1.005 -0.688 -4.559 337 HG21 VAL 41 3HG2 VAL 41 -0.613 3.176 -2.701 338 HG22 VAL 41 1HG2 VAL 41 -0.319 1.724 -1.749 339 HG23 VAL 41 2HG2 VAL 41 0.805 2.168 -3.047 340 H THR 42 H THR 42 -3.477 2.510 -4.182 341 HA THR 42 HA THR 42 -2.849 5.316 -3.770 342 HB THR 42 HB THR 42 -5.560 4.372 -4.750 343 HG1 THR 42 1HG THR 42 -3.351 5.366 -5.981 344 HG21 THR 42 3HG2 THR 42 -4.683 7.232 -4.161 345 HG22 THR 42 1HG2 THR 42 -5.768 6.271 -3.136 346 HG23 THR 42 2HG2 THR 42 -6.260 6.694 -4.771 347 H ASN 43 H ASN 43 -3.638 6.005 -1.806 348 HA ASN 43 HA ASN 43 -3.991 3.919 0.259 349 HB2 ASN 43 1HB ASN 43 -2.185 5.269 0.855 350 HB3 ASN 43 2HB ASN 43 -2.864 6.701 0.098 351 HD21 ASN 43 1HD2 ASN 43 -3.082 4.675 3.081 352 HD22 ASN 43 2HD2 ASN 43 -3.640 6.021 4.032 353 H LEU 44 H LEU 44 -5.979 3.553 0.955 354 HA LEU 44 HA LEU 44 -8.219 5.268 0.290 355 HB2 LEU 44 1HB LEU 44 -7.950 2.732 1.931 356 HB3 LEU 44 2HB LEU 44 -9.487 3.421 1.421 357 HG LEU 44 HG LEU 44 -7.355 2.489 -0.557 358 HD11 LEU 44 1HD1 LEU 44 -8.729 0.527 -0.916 359 HD12 LEU 44 2HD1 LEU 44 -9.860 1.051 0.375 360 HD13 LEU 44 3HD1 LEU 44 -8.191 0.620 0.752 361 HD21 LEU 44 3HD2 LEU 44 -10.305 3.216 -0.920 362 HD22 LEU 44 1HD2 LEU 44 -9.209 2.574 -2.178 363 HD23 LEU 44 2HD2 LEU 44 -8.907 4.152 -1.482 364 H ARG 45 H ARG 45 -6.174 6.300 2.273 365 HA ARG 45 HA ARG 45 -7.944 6.740 4.656 366 HB2 ARG 45 1HB ARG 45 -5.485 5.907 4.896 367 HB3 ARG 45 2HB ARG 45 -5.037 7.561 4.491 368 HG2 ARG 45 1HG ARG 45 -6.540 8.310 6.427 369 HG3 ARG 45 2HG ARG 45 -6.668 6.601 6.863 370 HD2 ARG 45 1HD ARG 45 -4.869 7.465 8.191 371 HD3 ARG 45 2HD ARG 45 -4.117 6.516 6.919 372 HE ARG 45 HE ARG 45 -3.108 8.391 6.114 373 HH11 ARG 45 1HH1 ARG 45 -5.729 9.443 8.306 374 HH12 ARG 45 2HH1 ARG 45 -5.214 11.094 8.306 375 HH21 ARG 45 1HH2 ARG 45 -2.540 10.762 6.025 376 HH22 ARG 45 2HH2 ARG 45 -3.497 11.827 6.954 377 H THR 46 H THR 46 -5.778 8.409 2.319 378 HA THR 46 HA THR 46 -7.404 10.864 2.564 379 HB THR 46 HB THR 46 -5.594 10.590 4.337 380 HG1 THR 46 1HG THR 46 -5.397 12.917 2.750 381 HG21 THR 46 3HG2 THR 46 -3.350 11.269 3.839 382 HG22 THR 46 1HG2 THR 46 -3.700 11.340 2.113 383 HG23 THR 46 2HG2 THR 46 -3.727 9.780 2.964 384 H ASP 47 H ASP 47 -6.812 8.679 0.501 385 HA ASP 47 HA ASP 47 -6.663 8.483 -1.668 386 HB2 ASP 47 1HB ASP 47 -8.109 10.722 -1.347 387 HB3 ASP 47 2HB ASP 47 -6.771 11.416 -2.259 388 H GLU 48 H GLU 48 -4.214 8.852 -0.078 389 HA GLU 48 HA GLU 48 -2.443 10.378 -1.724 390 HB2 GLU 48 1HB GLU 48 -2.190 8.859 0.782 391 HB3 GLU 48 2HB GLU 48 -0.717 8.856 -0.202 392 HG2 GLU 48 1HG GLU 48 -2.302 11.379 0.445 393 HG3 GLU 48 2HG GLU 48 -0.959 10.741 1.396 394 H GLN 49 H GLN 49 -0.384 9.485 -2.696 395 HA GLN 49 HA GLN 49 -0.766 6.774 -3.863 396 HB2 GLN 49 1HB GLN 49 -0.434 9.287 -5.558 397 HB3 GLN 49 2HB GLN 49 -0.183 7.635 -6.129 398 HG2 GLN 49 1HG GLN 49 -2.545 7.118 -5.319 399 HG3 GLN 49 2HG GLN 49 -2.782 8.857 -5.154 400 HE21 GLN 49 1HE2 GLN 49 -4.112 9.432 -6.873 401 HE22 GLN 49 2HE2 GLN 49 -3.960 8.834 -8.501 402 H GLY 50 H GLY 50 1.055 5.793 -4.639 403 HA2 GLY 50 1HA GLY 50 3.607 6.582 -4.979 404 HA3 GLY 50 2HA GLY 50 3.427 6.640 -3.214 405 H LEU 51 H LEU 51 5.103 5.043 -3.465 406 HA LEU 51 HA LEU 51 4.301 2.296 -4.230 407 HB2 LEU 51 1HB LEU 51 6.936 3.510 -3.279 408 HB3 LEU 51 2HB LEU 51 6.731 1.823 -3.713 409 HG LEU 51 HG LEU 51 6.223 4.125 -5.639 410 HD11 LEU 51 1HD1 LEU 51 8.659 2.313 -5.436 411 HD12 LEU 51 2HD1 LEU 51 8.601 4.013 -4.936 412 HD13 LEU 51 3HD1 LEU 51 8.362 3.595 -6.640 413 HD21 LEU 51 3HD2 LEU 51 5.017 2.092 -6.281 414 HD22 LEU 51 1HD2 LEU 51 6.467 1.112 -5.989 415 HD23 LEU 51 2HD2 LEU 51 6.432 2.276 -7.332 416 H ILE 52 H ILE 52 4.124 0.583 -2.820 417 HA ILE 52 HA ILE 52 4.805 0.940 0.019 418 HB ILE 52 HB ILE 52 2.781 0.014 0.839 419 HG12 ILE 52 1HG1 ILE 52 0.820 -0.043 -1.062 420 HG13 ILE 52 2HG1 ILE 52 2.199 -0.683 -1.968 421 HG21 ILE 52 1HG2 ILE 52 1.218 1.788 0.420 422 HG22 ILE 52 2HG2 ILE 52 2.866 2.431 0.499 423 HG23 ILE 52 3HG2 ILE 52 2.053 2.255 -1.067 424 HD11 ILE 52 3HD1 ILE 52 1.272 -1.709 0.764 425 HD12 ILE 52 1HD1 ILE 52 0.736 -2.388 -0.772 426 HD13 ILE 52 2HD1 ILE 52 2.452 -2.480 -0.322 427 H VAL 53 H VAL 53 5.363 -1.037 1.030 428 HA VAL 53 HA VAL 53 6.457 -2.971 -0.874 429 HB VAL 53 HB VAL 53 7.948 -1.983 0.798 430 HG11 VAL 53 1HG1 VAL 53 7.926 -2.726 3.157 431 HG12 VAL 53 2HG1 VAL 53 6.576 -1.670 2.770 432 HG13 VAL 53 3HG1 VAL 53 6.314 -3.431 2.923 433 HG21 VAL 53 3HG2 VAL 53 7.560 -4.965 1.213 434 HG22 VAL 53 1HG2 VAL 53 8.387 -4.198 -0.143 435 HG23 VAL 53 2HG2 VAL 53 9.050 -4.034 1.485 436 H GLU 54 H GLU 54 5.714 -5.011 -1.086 437 HA GLU 54 HA GLU 54 3.028 -5.528 -0.212 438 HB2 GLU 54 1HB GLU 54 3.217 -7.516 -1.566 439 HB3 GLU 54 2HB GLU 54 3.954 -6.149 -2.397 440 HG2 GLU 54 1HG GLU 54 6.218 -6.957 -1.640 441 HG3 GLU 54 2HG GLU 54 5.429 -8.374 -0.921 442 H ASP 55 H ASP 55 5.968 -6.049 1.312 443 HA ASP 55 HA ASP 55 5.840 -8.505 2.597 444 HB2 ASP 55 1HB ASP 55 7.783 -7.027 2.505 445 HB3 ASP 55 2HB ASP 55 6.968 -5.839 3.505 446 H LEU 56 H LEU 56 3.964 -5.632 3.220 447 HA LEU 56 HA LEU 56 3.331 -6.560 5.960 448 HB2 LEU 56 1HB LEU 56 3.568 -3.778 4.830 449 HB3 LEU 56 2HB LEU 56 3.111 -4.144 6.501 450 HG LEU 56 HG LEU 56 5.768 -4.922 5.236 451 HD11 LEU 56 1HD1 LEU 56 5.467 -2.491 5.460 452 HD12 LEU 56 2HD1 LEU 56 6.734 -3.126 6.511 453 HD13 LEU 56 3HD1 LEU 56 5.144 -2.708 7.201 454 HD21 LEU 56 3HD2 LEU 56 6.506 -5.323 7.548 455 HD22 LEU 56 1HD2 LEU 56 5.185 -6.416 7.124 456 HD23 LEU 56 2HD2 LEU 56 4.874 -4.991 8.154 457 H VAL 57 H VAL 57 1.659 -6.928 3.309 458 HA VAL 57 HA VAL 57 -0.905 -5.812 4.305 459 HB VAL 57 HB VAL 57 -1.594 -5.633 1.952 460 HG11 VAL 57 1HG1 VAL 57 0.823 -3.931 2.689 461 HG12 VAL 57 2HG1 VAL 57 -0.385 -3.547 1.451 462 HG13 VAL 57 3HG1 VAL 57 -0.863 -3.623 3.155 463 HG21 VAL 57 3HG2 VAL 57 0.177 -7.180 1.005 464 HG22 VAL 57 1HG2 VAL 57 -0.005 -5.649 0.137 465 HG23 VAL 57 2HG2 VAL 57 1.356 -5.883 1.254 466 H GLU 58 H GLU 58 -2.830 -7.076 3.595 467 HA GLU 58 HA GLU 58 -2.257 -9.911 2.968 468 HB2 GLU 58 1HB GLU 58 -4.127 -10.660 4.243 469 HB3 GLU 58 2HB GLU 58 -3.063 -9.752 5.308 470 HG2 GLU 58 1HG GLU 58 -4.602 -7.834 5.271 471 HG3 GLU 58 2HG GLU 58 -5.619 -8.621 4.075 472 H GLU 59 H GLU 59 -3.580 -10.893 1.571 473 HA GLU 59 HA GLU 59 -4.791 -9.391 -0.475 474 HB2 GLU 59 1HB GLU 59 -4.071 -12.238 0.142 475 HB3 GLU 59 2HB GLU 59 -5.476 -12.087 -0.861 476 HG2 GLU 59 1HG GLU 59 -3.933 -10.344 -2.196 477 HG3 GLU 59 2HG GLU 59 -2.664 -11.336 -1.488 478 H VAL 60 H VAL 60 -6.228 -8.339 1.246 479 HA VAL 60 HA VAL 60 -8.552 -9.592 2.153 480 HB VAL 60 HB VAL 60 -7.683 -7.423 2.836 481 HG11 VAL 60 1HG1 VAL 60 -8.266 -5.356 1.618 482 HG12 VAL 60 2HG1 VAL 60 -7.170 -6.383 0.690 483 HG13 VAL 60 3HG1 VAL 60 -8.884 -6.313 0.260 484 HG21 VAL 60 3HG2 VAL 60 -10.581 -7.207 1.956 485 HG22 VAL 60 1HG2 VAL 60 -9.998 -8.048 3.417 486 HG23 VAL 60 2HG2 VAL 60 -9.788 -6.298 3.260 487 H GLY 61 H GLY 61 -10.524 -9.939 1.408 488 HA2 GLY 61 1HA GLY 61 -11.053 -9.813 -1.506 489 HA3 GLY 61 2HA GLY 61 -11.883 -10.826 -0.322 490 H ARG 62 H ARG 62 -12.627 -9.158 1.544 491 HA ARG 62 HA ARG 62 -14.512 -8.269 2.159 492 HB2 ARG 62 1HB ARG 62 -14.613 -5.963 2.148 493 HB3 ARG 62 2HB ARG 62 -13.043 -6.638 2.617 494 HG2 ARG 62 1HG ARG 62 -12.206 -6.090 0.262 495 HG3 ARG 62 2HG ARG 62 -13.689 -5.164 0.030 496 HD2 ARG 62 1HD ARG 62 -11.538 -4.880 2.092 497 HD3 ARG 62 2HD ARG 62 -12.068 -3.634 0.919 498 HE ARG 62 HE ARG 62 -13.217 -4.417 3.511 499 HH11 ARG 62 1HH1 ARG 62 -14.435 -2.998 0.520 500 HH12 ARG 62 2HH1 ARG 62 -15.101 -1.597 1.246 501 HH21 ARG 62 1HH2 ARG 62 -14.533 -2.857 4.506 502 HH22 ARG 62 2HH2 ARG 62 -15.526 -1.800 3.552 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -6.611 -8.429 -14.134 2 HA2 GLY 1 1HA GLY 1 -7.557 -6.247 -14.765 3 HA3 GLY 1 2HA GLY 1 -8.671 -7.192 -13.755 4 H ARG 2 H ARG 2 -8.576 -6.780 -11.329 5 HA ARG 2 HA ARG 2 -6.893 -4.668 -10.396 6 HB2 ARG 2 1HB ARG 2 -8.795 -3.444 -9.220 7 HB3 ARG 2 2HB ARG 2 -8.582 -3.095 -10.921 8 HG2 ARG 2 1HG ARG 2 -10.592 -5.223 -10.118 9 HG3 ARG 2 2HG ARG 2 -10.995 -3.522 -9.872 10 HD2 ARG 2 1HD ARG 2 -11.208 -3.056 -12.076 11 HD3 ARG 2 2HD ARG 2 -9.856 -4.088 -12.536 12 HE ARG 2 HE ARG 2 -12.104 -5.677 -11.722 13 HH11 ARG 2 1HH1 ARG 2 -10.912 -3.690 -14.380 14 HH12 ARG 2 2HH1 ARG 2 -11.731 -4.534 -15.639 15 HH21 ARG 2 1HH2 ARG 2 -13.145 -6.945 -13.361 16 HH22 ARG 2 2HH2 ARG 2 -13.063 -6.493 -15.016 17 H ARG 3 H ARG 3 -6.600 -4.902 -7.990 18 HA ARG 3 HA ARG 3 -8.536 -6.653 -6.707 19 HB2 ARG 3 1HB ARG 3 -6.395 -7.920 -7.530 20 HB3 ARG 3 2HB ARG 3 -5.572 -7.047 -6.245 21 HG2 ARG 3 1HG ARG 3 -7.920 -8.099 -5.031 22 HG3 ARG 3 2HG ARG 3 -7.377 -9.359 -6.139 23 HD2 ARG 3 1HD ARG 3 -5.159 -9.383 -5.097 24 HD3 ARG 3 2HD ARG 3 -5.529 -7.937 -4.191 25 HE ARG 3 HE ARG 3 -6.886 -9.205 -2.703 26 HH11 ARG 3 1HH1 ARG 3 -5.861 -11.241 -5.491 27 HH12 ARG 3 2HH1 ARG 3 -6.370 -12.710 -4.729 28 HH21 ARG 3 1HH2 ARG 3 -7.446 -11.229 -1.750 29 HH22 ARG 3 2HH2 ARG 3 -7.461 -12.670 -2.659 30 H ARG 4 H ARG 4 -7.219 -6.515 -4.127 31 HA ARG 4 HA ARG 4 -6.729 -3.677 -3.599 32 HB2 ARG 4 1HB ARG 4 -8.899 -5.329 -2.213 33 HB3 ARG 4 2HB ARG 4 -8.361 -3.750 -1.694 34 HG2 ARG 4 1HG ARG 4 -9.792 -4.329 -4.306 35 HG3 ARG 4 2HG ARG 4 -10.521 -3.688 -2.837 36 HD2 ARG 4 1HD ARG 4 -9.946 -1.553 -3.336 37 HD3 ARG 4 2HD ARG 4 -8.287 -2.044 -3.571 38 HE ARG 4 HE ARG 4 -8.537 -2.033 -5.821 39 HH11 ARG 4 1HH1 ARG 4 -11.865 -2.612 -4.728 40 HH12 ARG 4 2HH1 ARG 4 -12.579 -1.904 -6.113 41 HH21 ARG 4 1HH2 ARG 4 -9.440 -1.246 -7.676 42 HH22 ARG 4 2HH2 ARG 4 -11.171 -1.230 -7.915 43 H VAL 5 H VAL 5 -5.523 -3.482 -1.475 44 HA VAL 5 HA VAL 5 -4.980 -6.048 -0.178 45 HB VAL 5 HB VAL 5 -2.563 -5.083 0.249 46 HG11 VAL 5 1HG1 VAL 5 -1.924 -6.313 -2.086 47 HG12 VAL 5 2HG1 VAL 5 -2.356 -7.162 -0.615 48 HG13 VAL 5 3HG1 VAL 5 -3.582 -6.929 -1.843 49 HG21 VAL 5 3HG2 VAL 5 -1.552 -3.956 -1.605 50 HG22 VAL 5 1HG2 VAL 5 -3.060 -3.974 -2.535 51 HG23 VAL 5 2HG2 VAL 5 -2.931 -3.004 -1.046 52 H ARG 6 H ARG 6 -4.295 -5.753 2.155 53 HA ARG 6 HA ARG 6 -5.093 -3.077 3.276 54 HB2 ARG 6 1HB ARG 6 -6.949 -4.487 3.804 55 HB3 ARG 6 2HB ARG 6 -5.924 -5.843 4.165 56 HG2 ARG 6 1HG ARG 6 -5.587 -5.327 6.299 57 HG3 ARG 6 2HG ARG 6 -5.275 -3.634 5.981 58 HD2 ARG 6 1HD ARG 6 -7.175 -3.992 7.475 59 HD3 ARG 6 2HD ARG 6 -7.536 -3.022 6.053 60 HE ARG 6 HE ARG 6 -8.568 -4.906 5.009 61 HH11 ARG 6 1HH1 ARG 6 -8.111 -5.306 8.594 62 HH12 ARG 6 2HH1 ARG 6 -9.144 -6.673 8.610 63 HH21 ARG 6 1HH2 ARG 6 -9.808 -6.909 5.260 64 HH22 ARG 6 2HH2 ARG 6 -10.474 -7.241 6.813 65 H ALA 7 H ALA 7 -3.634 -2.321 4.854 66 HA ALA 7 HA ALA 7 -1.075 -3.758 5.208 67 HB1 ALA 7 1HB ALA 7 -0.670 -1.804 6.778 68 HB2 ALA 7 2HB ALA 7 -0.964 -1.326 5.104 69 HB3 ALA 7 3HB ALA 7 -2.263 -1.172 6.305 70 H ILE 8 H ILE 8 -0.673 -5.134 6.824 71 HA ILE 8 HA ILE 8 -2.492 -5.090 9.185 72 HB ILE 8 HB ILE 8 -2.133 -7.339 9.638 73 HG12 ILE 8 1HG1 ILE 8 0.238 -7.454 8.633 74 HG13 ILE 8 2HG1 ILE 8 -0.794 -8.883 8.628 75 HG21 ILE 8 1HG2 ILE 8 -3.987 -6.753 8.176 76 HG22 ILE 8 2HG2 ILE 8 -2.981 -6.997 6.744 77 HG23 ILE 8 3HG2 ILE 8 -3.372 -8.373 7.793 78 HD11 ILE 8 3HD1 ILE 8 0.512 -8.549 6.537 79 HD12 ILE 8 1HD1 ILE 8 -1.238 -8.638 6.269 80 HD13 ILE 8 2HD1 ILE 8 -0.419 -7.067 6.246 81 H LEU 9 H LEU 9 0.471 -3.969 8.215 82 HA LEU 9 HA LEU 9 1.238 -3.669 11.032 83 HB2 LEU 9 1HB LEU 9 2.933 -4.916 8.867 84 HB3 LEU 9 2HB LEU 9 3.699 -3.864 10.051 85 HG LEU 9 HG LEU 9 2.038 -6.250 10.917 86 HD11 LEU 9 1HD1 LEU 9 5.028 -6.180 10.357 87 HD12 LEU 9 2HD1 LEU 9 3.805 -7.101 9.458 88 HD13 LEU 9 3HD1 LEU 9 4.145 -7.506 11.141 89 HD21 LEU 9 3HD2 LEU 9 3.396 -6.054 12.972 90 HD22 LEU 9 1HD2 LEU 9 2.525 -4.549 12.666 91 HD23 LEU 9 2HD2 LEU 9 4.266 -4.672 12.280 92 HA PRO 10 HA PRO 10 1.687 0.400 9.343 93 HB2 PRO 10 1HB PRO 10 3.237 1.632 11.223 94 HB3 PRO 10 2HB PRO 10 1.593 1.035 11.615 95 HG2 PRO 10 1HG PRO 10 4.258 -0.302 12.162 96 HG3 PRO 10 2HG PRO 10 2.844 -0.132 13.259 97 HD2 PRO 10 1HD PRO 10 3.353 -2.383 11.805 98 HD3 PRO 10 2HD PRO 10 1.715 -1.866 12.308 99 H TYR 11 H TYR 11 3.253 1.853 8.275 100 HA TYR 11 HA TYR 11 6.051 1.095 8.321 101 HB2 TYR 11 1HB TYR 11 4.862 -0.215 6.410 102 HB3 TYR 11 2HB TYR 11 4.654 1.356 5.651 103 HD1 TYR 11 2HD TYR 11 7.450 -0.528 7.395 104 HD2 TYR 11 1HD TYR 11 6.237 1.871 4.016 105 HE1 TYR 11 2HE TYR 11 9.714 -0.769 6.406 106 HE2 TYR 11 1HE TYR 11 8.509 1.625 3.039 107 HH TYR 11 HH TYR 11 10.415 -0.444 3.349 108 H THR 12 H THR 12 7.361 2.776 7.069 109 HA THR 12 HA THR 12 5.950 5.307 6.724 110 HB THR 12 HB THR 12 6.859 5.035 9.083 111 HG1 THR 12 1HG THR 12 6.271 6.995 8.641 112 HG21 THR 12 3HG2 THR 12 9.190 5.532 9.457 113 HG22 THR 12 1HG2 THR 12 9.472 5.689 7.692 114 HG23 THR 12 2HG2 THR 12 9.067 4.114 8.402 115 H LYS 13 H LYS 13 6.760 6.441 5.016 116 HA LYS 13 HA LYS 13 8.327 4.990 3.073 117 HB2 LYS 13 1HB LYS 13 8.303 7.287 1.908 118 HB3 LYS 13 2HB LYS 13 6.768 6.464 2.125 119 HG2 LYS 13 1HG LYS 13 6.047 7.905 3.848 120 HG3 LYS 13 2HG LYS 13 7.666 8.528 4.165 121 HD2 LYS 13 1HD LYS 13 6.342 8.994 1.474 122 HD3 LYS 13 2HD LYS 13 5.966 10.003 2.876 123 HE2 LYS 13 1HE LYS 13 8.326 10.472 3.228 124 HE3 LYS 13 2HE LYS 13 8.766 9.454 1.861 125 HZ1 LYS 13 3HZ LYS 13 7.564 10.953 0.409 126 HZ2 LYS 13 1HZ LYS 13 8.768 11.730 1.197 127 HZ3 LYS 13 2HZ LYS 13 7.229 11.950 1.710 128 H VAL 14 H VAL 14 10.372 5.432 2.323 129 HA VAL 14 HA VAL 14 12.341 6.661 4.058 130 HB VAL 14 HB VAL 14 13.792 6.182 2.008 131 HG11 VAL 14 1HG1 VAL 14 13.458 4.580 3.921 132 HG12 VAL 14 2HG1 VAL 14 12.099 3.848 3.024 133 HG13 VAL 14 3HG1 VAL 14 13.754 3.759 2.378 134 HG21 VAL 14 3HG2 VAL 14 12.770 4.519 0.386 135 HG22 VAL 14 1HG2 VAL 14 11.259 5.411 0.711 136 HG23 VAL 14 2HG2 VAL 14 12.708 6.248 0.188 137 HA PRO 15 HA PRO 15 11.867 10.785 2.527 138 HB2 PRO 15 1HB PRO 15 14.423 11.802 2.431 139 HB3 PRO 15 2HB PRO 15 13.600 11.438 3.953 140 HG2 PRO 15 1HG PRO 15 15.805 9.955 2.621 141 HG3 PRO 15 2HG PRO 15 15.329 9.964 4.346 142 HD2 PRO 15 1HD PRO 15 14.699 8.053 2.298 143 HD3 PRO 15 2HD PRO 15 14.202 7.984 4.012 144 H ASP 16 H ASP 16 12.036 12.153 0.731 145 HA ASP 16 HA ASP 16 12.143 12.790 -1.386 146 HB2 ASP 16 1HB ASP 16 14.417 13.325 -0.519 147 HB3 ASP 16 2HB ASP 16 15.025 11.864 -1.307 148 H THR 17 H THR 17 10.824 10.507 -1.363 149 HA THR 17 HA THR 17 11.755 9.104 -3.803 150 HB THR 17 HB THR 17 11.147 6.919 -2.405 151 HG1 THR 17 1HG THR 17 12.195 8.512 -0.374 152 HG21 THR 17 3HG2 THR 17 13.789 8.386 -1.976 153 HG22 THR 17 1HG2 THR 17 13.389 7.302 -3.309 154 HG23 THR 17 2HG2 THR 17 13.507 6.676 -1.652 155 H ASP 18 H ASP 18 10.047 7.315 -4.315 156 HA ASP 18 HA ASP 18 7.524 8.785 -4.661 157 HB2 ASP 18 1HB ASP 18 8.613 6.297 -6.015 158 HB3 ASP 18 2HB ASP 18 7.197 7.234 -6.511 159 H GLU 19 H GLU 19 8.456 7.021 -2.215 160 HA GLU 19 HA GLU 19 6.335 4.999 -1.975 161 HB2 GLU 19 1HB GLU 19 8.588 6.030 -0.192 162 HB3 GLU 19 2HB GLU 19 7.340 4.921 0.383 163 HG2 GLU 19 1HG GLU 19 7.981 3.265 -1.338 164 HG3 GLU 19 2HG GLU 19 9.280 4.347 -1.881 165 H ILE 20 H ILE 20 5.038 5.006 0.011 166 HA ILE 20 HA ILE 20 4.422 7.626 1.210 167 HB ILE 20 HB ILE 20 1.980 6.949 1.170 168 HG12 ILE 20 1HG1 ILE 20 2.831 5.129 -1.137 169 HG13 ILE 20 2HG1 ILE 20 2.378 4.572 0.471 170 HG21 ILE 20 1HG2 ILE 20 1.626 7.972 -1.032 171 HG22 ILE 20 2HG2 ILE 20 2.963 8.764 -0.183 172 HG23 ILE 20 3HG2 ILE 20 3.296 7.621 -1.499 173 HD11 ILE 20 3HD1 ILE 20 0.610 5.953 -1.583 174 HD12 ILE 20 1HD1 ILE 20 0.456 4.314 -0.926 175 HD13 ILE 20 2HD1 ILE 20 0.116 5.717 0.109 176 H SER 21 H SER 21 3.606 7.499 3.318 177 HA SER 21 HA SER 21 4.369 5.148 4.926 178 HB2 SER 21 1HB SER 21 3.638 6.901 6.754 179 HB3 SER 21 2HB SER 21 5.135 7.170 5.858 180 HG SER 21 HG SER 21 3.984 9.072 5.891 181 H PHE 22 H PHE 22 2.842 4.050 6.382 182 HA PHE 22 HA PHE 22 0.005 4.774 6.310 183 HB2 PHE 22 1HB PHE 22 -0.704 2.597 5.339 184 HB3 PHE 22 2HB PHE 22 0.163 3.583 4.186 185 HD1 PHE 22 1HD PHE 22 0.407 0.571 6.367 186 HD2 PHE 22 2HD PHE 22 2.294 2.871 3.232 187 HE1 PHE 22 1HE PHE 22 1.924 -1.332 5.865 188 HE2 PHE 22 2HE PHE 22 3.792 0.974 2.741 189 HZ PHE 22 HZ PHE 22 3.585 -1.150 4.024 190 H LEU 23 H LEU 23 -1.323 2.984 7.537 191 HA LEU 23 HA LEU 23 0.308 2.071 9.868 192 HB2 LEU 23 1HB LEU 23 -2.417 3.366 9.596 193 HB3 LEU 23 2HB LEU 23 -1.976 2.482 11.038 194 HG LEU 23 HG LEU 23 -0.002 4.559 10.087 195 HD11 LEU 23 1HD1 LEU 23 -1.247 6.353 11.235 196 HD12 LEU 23 2HD1 LEU 23 -2.673 5.266 11.334 197 HD13 LEU 23 3HD1 LEU 23 -2.021 5.756 9.754 198 HD21 LEU 23 3HD2 LEU 23 0.557 3.248 12.028 199 HD22 LEU 23 1HD2 LEU 23 -0.999 3.571 12.799 200 HD23 LEU 23 2HD2 LEU 23 0.192 4.881 12.571 201 H LYS 24 H LYS 24 -0.661 0.293 11.065 202 HA LYS 24 HA LYS 24 -1.656 -1.920 9.499 203 HB2 LYS 24 1HB LYS 24 -0.475 -2.254 11.616 204 HB3 LYS 24 2HB LYS 24 -1.665 -1.280 12.479 205 HG2 LYS 24 1HG LYS 24 -3.382 -2.959 12.215 206 HG3 LYS 24 2HG LYS 24 -2.405 -3.847 11.047 207 HD2 LYS 24 1HD LYS 24 -0.673 -4.119 12.967 208 HD3 LYS 24 2HD LYS 24 -1.962 -3.610 14.054 209 HE2 LYS 24 1HE LYS 24 -2.223 -5.926 12.076 210 HE3 LYS 24 2HE LYS 24 -1.589 -6.126 13.710 211 HZ1 LYS 24 3HZ LYS 24 -3.901 -6.658 13.578 212 HZ2 LYS 24 1HZ LYS 24 -4.313 -5.130 13.102 213 HZ3 LYS 24 2HZ LYS 24 -3.646 -5.407 14.597 214 H GLY 25 H GLY 25 -3.743 -2.326 8.896 215 HA2 GLY 25 1HA GLY 25 -6.044 -2.432 9.215 216 HA3 GLY 25 2HA GLY 25 -5.994 -1.036 10.297 217 H ASP 26 H ASP 26 -4.038 -0.052 7.682 218 HA ASP 26 HA ASP 26 -6.272 1.462 6.491 219 HB2 ASP 26 1HB ASP 26 -3.274 1.423 5.959 220 HB3 ASP 26 2HB ASP 26 -4.458 2.407 5.093 221 H MET 27 H MET 27 -6.212 1.509 4.011 222 HA MET 27 HA MET 27 -5.947 -1.203 2.884 223 HB2 MET 27 1HB MET 27 -8.464 0.327 3.283 224 HB3 MET 27 2HB MET 27 -8.260 -0.440 1.740 225 HG2 MET 27 1HG MET 27 -7.743 -2.604 2.853 226 HG3 MET 27 2HG MET 27 -7.936 -1.812 4.411 227 HE1 MET 27 3HE MET 27 -9.815 -3.430 1.303 228 HE2 MET 27 1HE MET 27 -11.462 -2.793 1.509 229 HE3 MET 27 2HE MET 27 -10.146 -1.709 1.029 230 H PHE 28 H PHE 28 -5.439 -1.176 0.832 231 HA PHE 28 HA PHE 28 -5.143 1.407 -0.624 232 HB2 PHE 28 1HB PHE 28 -3.254 -0.836 -1.250 233 HB3 PHE 28 2HB PHE 28 -3.059 0.872 -1.474 234 HD1 PHE 28 1HD PHE 28 -2.988 -1.842 1.035 235 HD2 PHE 28 2HD PHE 28 -1.865 2.214 0.085 236 HE1 PHE 28 1HE PHE 28 -1.438 -1.814 2.977 237 HE2 PHE 28 2HE PHE 28 -0.305 2.224 2.033 238 HZ PHE 28 HZ PHE 28 -0.035 0.155 3.397 239 H ILE 29 H ILE 29 -4.916 1.039 -3.008 240 HA ILE 29 HA ILE 29 -6.382 -1.384 -3.945 241 HB ILE 29 HB ILE 29 -7.477 -0.076 -5.569 242 HG12 ILE 29 1HG1 ILE 29 -5.696 2.252 -4.746 243 HG13 ILE 29 2HG1 ILE 29 -5.678 1.397 -6.297 244 HG21 ILE 29 1HG2 ILE 29 -8.228 0.103 -3.061 245 HG22 ILE 29 2HG2 ILE 29 -7.583 1.737 -3.138 246 HG23 ILE 29 3HG2 ILE 29 -8.911 1.250 -4.215 247 HD11 ILE 29 3HD1 ILE 29 -7.973 3.073 -5.258 248 HD12 ILE 29 1HD1 ILE 29 -6.793 3.517 -6.497 249 HD13 ILE 29 2HD1 ILE 29 -7.930 2.168 -6.795 250 H VAL 30 H VAL 30 -5.250 -2.659 -5.434 251 HA VAL 30 HA VAL 30 -2.492 -1.911 -5.948 252 HB VAL 30 HB VAL 30 -3.033 -4.195 -5.621 253 HG11 VAL 30 1HG1 VAL 30 -5.163 -3.966 -7.633 254 HG12 VAL 30 2HG1 VAL 30 -4.370 -5.513 -7.241 255 HG13 VAL 30 3HG1 VAL 30 -5.095 -4.584 -5.937 256 HG21 VAL 30 3HG2 VAL 30 -2.425 -3.964 -8.571 257 HG22 VAL 30 1HG2 VAL 30 -1.231 -3.779 -7.257 258 HG23 VAL 30 2HG2 VAL 30 -2.079 -5.317 -7.467 259 H HIS 31 H HIS 31 -1.871 -0.527 -7.569 260 HA HIS 31 HA HIS 31 -3.740 -0.088 -9.858 261 HB2 HIS 31 1HB HIS 31 -1.910 1.687 -8.247 262 HB3 HIS 31 2HB HIS 31 -2.115 2.012 -9.947 263 HD1 HIS 31 1HD HIS 31 -5.459 1.343 -9.918 264 HD2 HIS 31 2HD HIS 31 -2.994 3.974 -7.724 265 HE1 HIS 31 1HE HIS 31 -6.847 3.376 -9.451 266 H ASN 32 H ASN 32 -0.314 -0.831 -8.931 267 HA ASN 32 HA ASN 32 -0.060 -1.863 -11.636 268 HB2 ASN 32 1HB ASN 32 0.844 0.522 -11.750 269 HB3 ASN 32 2HB ASN 32 2.125 0.011 -10.625 270 HD21 ASN 32 1HD2 ASN 32 3.928 0.094 -12.021 271 HD22 ASN 32 2HD2 ASN 32 4.054 -0.953 -13.391 272 H GLU 33 H GLU 33 1.826 -3.080 -11.879 273 HA GLU 33 HA GLU 33 2.623 -4.560 -9.394 274 HB2 GLU 33 1HB GLU 33 1.776 -5.447 -12.160 275 HB3 GLU 33 2HB GLU 33 2.770 -6.496 -11.144 276 HG2 GLU 33 1HG GLU 33 1.062 -6.718 -9.524 277 HG3 GLU 33 2HG GLU 33 0.157 -5.336 -10.141 278 H LEU 34 H LEU 34 4.677 -4.342 -9.019 279 HA LEU 34 HA LEU 34 6.658 -4.042 -11.239 280 HB2 LEU 34 1HB LEU 34 7.003 -3.303 -8.324 281 HB3 LEU 34 2HB LEU 34 8.119 -2.970 -9.622 282 HG LEU 34 HG LEU 34 5.365 -1.801 -9.999 283 HD11 LEU 34 1HD1 LEU 34 5.804 0.093 -8.571 284 HD12 LEU 34 2HD1 LEU 34 7.284 -0.680 -7.946 285 HD13 LEU 34 3HD1 LEU 34 5.691 -1.390 -7.619 286 HD21 LEU 34 3HD2 LEU 34 8.121 -0.584 -10.272 287 HD22 LEU 34 1HD2 LEU 34 6.573 0.060 -10.878 288 HD23 LEU 34 2HD2 LEU 34 7.255 -1.437 -11.581 289 H GLU 35 H GLU 35 8.953 -4.991 -10.012 290 HA GLU 35 HA GLU 35 8.348 -7.845 -9.651 291 HB2 GLU 35 1HB GLU 35 9.977 -6.154 -11.497 292 HB3 GLU 35 2HB GLU 35 10.907 -7.496 -10.847 293 HG2 GLU 35 1HG GLU 35 8.134 -7.799 -11.941 294 HG3 GLU 35 2HG GLU 35 9.564 -7.894 -13.008 295 H ASP 36 H ASP 36 9.070 -5.695 -7.740 296 HA ASP 36 HA ASP 36 11.464 -6.857 -6.432 297 HB2 ASP 36 1HB ASP 36 12.317 -4.488 -6.249 298 HB3 ASP 36 2HB ASP 36 12.293 -5.235 -7.829 299 H GLY 37 H GLY 37 8.600 -7.007 -5.543 300 HA2 GLY 37 1HA GLY 37 7.705 -7.207 -3.458 301 HA3 GLY 37 2HA GLY 37 9.099 -6.388 -2.754 302 H TRP 38 H TRP 38 7.768 -4.621 -5.325 303 HA TRP 38 HA TRP 38 6.391 -2.762 -3.457 304 HB2 TRP 38 1HB TRP 38 8.228 -2.275 -5.844 305 HB3 TRP 38 2HB TRP 38 7.243 -1.025 -5.086 306 HD1 TRP 38 HD TRP 38 10.565 -2.716 -4.690 307 HE1 TRP 38 1HE TRP 38 11.721 -1.945 -2.526 308 HE3 TRP 38 3HE TRP 38 6.697 -0.199 -2.590 309 HZ2 TRP 38 2HZ TRP 38 11.050 -0.345 -0.208 310 HZ3 TRP 38 3HZ TRP 38 6.924 0.924 -0.398 311 HH2 TRP 38 HH TRP 38 9.108 0.835 0.826 312 H MET 39 H MET 39 4.564 -1.719 -4.280 313 HA MET 39 HA MET 39 3.573 -2.450 -6.994 314 HB2 MET 39 1HB MET 39 1.979 -2.564 -4.408 315 HB3 MET 39 2HB MET 39 1.303 -2.771 -6.013 316 HG2 MET 39 1HG MET 39 2.178 -4.896 -6.301 317 HG3 MET 39 2HG MET 39 3.532 -4.640 -5.216 318 HE1 MET 39 3HE MET 39 3.551 -4.709 -2.676 319 HE2 MET 39 1HE MET 39 2.223 -3.553 -2.484 320 HE3 MET 39 2HE MET 39 2.141 -5.124 -1.669 321 H TRP 40 H TRP 40 2.510 -0.706 -7.927 322 HA TRP 40 HA TRP 40 2.520 1.883 -6.434 323 HB2 TRP 40 1HB TRP 40 2.945 1.757 -8.970 324 HB3 TRP 40 2HB TRP 40 1.213 1.442 -9.133 325 HD1 TRP 40 HD TRP 40 -0.405 3.531 -8.890 326 HE1 TRP 40 1HE TRP 40 -0.040 6.082 -8.678 327 HE3 TRP 40 3HE TRP 40 4.566 3.508 -7.852 328 HZ2 TRP 40 2HZ TRP 40 2.150 7.853 -7.987 329 HZ3 TRP 40 3HZ TRP 40 5.787 5.639 -7.402 330 HH2 TRP 40 HH TRP 40 4.593 7.793 -7.466 331 H VAL 41 H VAL 41 0.682 2.758 -5.493 332 HA VAL 41 HA VAL 41 -1.922 1.365 -5.828 333 HB VAL 41 HB VAL 41 -2.144 1.211 -3.394 334 HG11 VAL 41 1HG1 VAL 41 0.440 -0.204 -4.110 335 HG12 VAL 41 2HG1 VAL 41 -0.755 -0.663 -2.886 336 HG13 VAL 41 3HG1 VAL 41 -1.173 -0.754 -4.597 337 HG21 VAL 41 3HG2 VAL 41 -0.575 3.119 -2.810 338 HG22 VAL 41 1HG2 VAL 41 -0.415 1.678 -1.813 339 HG23 VAL 41 2HG2 VAL 41 0.772 2.001 -3.093 340 H THR 42 H THR 42 -3.487 2.517 -4.182 341 HA THR 42 HA THR 42 -2.709 5.270 -3.643 342 HB THR 42 HB THR 42 -5.468 4.530 -4.723 343 HG1 THR 42 1HG THR 42 -3.158 5.343 -5.820 344 HG21 THR 42 3HG2 THR 42 -5.762 7.069 -4.620 345 HG22 THR 42 1HG2 THR 42 -4.332 7.097 -3.577 346 HG23 THR 42 2HG2 THR 42 -5.783 6.228 -3.060 347 H ASN 43 H ASN 43 -3.019 5.626 -1.522 348 HA ASN 43 HA ASN 43 -4.095 3.460 0.160 349 HB2 ASN 43 1HB ASN 43 -1.983 4.764 0.725 350 HB3 ASN 43 2HB ASN 43 -3.013 6.195 0.951 351 HD21 ASN 43 1HD2 ASN 43 -1.631 5.471 3.144 352 HD22 ASN 43 2HD2 ASN 43 -2.579 4.564 4.328 353 H LEU 44 H LEU 44 -6.248 3.437 0.568 354 HA LEU 44 HA LEU 44 -7.962 5.689 -0.111 355 HB2 LEU 44 1HB LEU 44 -8.589 3.168 1.478 356 HB3 LEU 44 2HB LEU 44 -9.763 4.318 0.847 357 HG LEU 44 HG LEU 44 -7.932 2.524 -0.800 358 HD11 LEU 44 1HD1 LEU 44 -10.955 2.590 -0.479 359 HD12 LEU 44 2HD1 LEU 44 -9.858 1.392 0.249 360 HD13 LEU 44 3HD1 LEU 44 -10.023 1.475 -1.518 361 HD21 LEU 44 3HD2 LEU 44 -9.936 4.635 -1.713 362 HD22 LEU 44 1HD2 LEU 44 -9.256 3.378 -2.771 363 HD23 LEU 44 2HD2 LEU 44 -8.195 4.590 -2.060 364 H ARG 45 H ARG 45 -5.902 5.193 2.580 365 HA ARG 45 HA ARG 45 -7.466 6.322 4.667 366 HB2 ARG 45 1HB ARG 45 -5.133 5.229 4.709 367 HB3 ARG 45 2HB ARG 45 -4.506 6.806 4.184 368 HG2 ARG 45 1HG ARG 45 -5.683 7.769 6.256 369 HG3 ARG 45 2HG ARG 45 -6.075 6.097 6.680 370 HD2 ARG 45 1HD ARG 45 -4.101 6.258 7.857 371 HD3 ARG 45 2HD ARG 45 -3.431 5.797 6.300 372 HE ARG 45 HE ARG 45 -2.519 7.870 5.997 373 HH11 ARG 45 1HH1 ARG 45 -4.850 8.100 8.693 374 HH12 ARG 45 2HH1 ARG 45 -4.208 9.607 9.273 375 HH21 ARG 45 1HH2 ARG 45 -1.630 9.740 6.828 376 HH22 ARG 45 2HH2 ARG 45 -2.297 10.599 8.174 377 H THR 46 H THR 46 -5.755 7.887 1.901 378 HA THR 46 HA THR 46 -7.091 10.407 2.322 379 HB THR 46 HB THR 46 -5.695 10.499 4.281 380 HG1 THR 46 1HG THR 46 -4.760 12.100 2.196 381 HG21 THR 46 3HG2 THR 46 -3.200 10.593 4.131 382 HG22 THR 46 1HG2 THR 46 -3.331 9.933 2.490 383 HG23 THR 46 2HG2 THR 46 -3.889 8.986 3.874 384 H ASP 47 H ASP 47 -6.511 8.552 0.087 385 HA ASP 47 HA ASP 47 -6.216 8.716 -2.078 386 HB2 ASP 47 1HB ASP 47 -7.344 11.027 -1.501 387 HB3 ASP 47 2HB ASP 47 -5.776 11.711 -1.903 388 H GLU 48 H GLU 48 -3.681 9.561 -0.146 389 HA GLU 48 HA GLU 48 -1.559 10.280 -1.757 390 HB2 GLU 48 1HB GLU 48 -1.804 8.432 0.641 391 HB3 GLU 48 2HB GLU 48 -0.236 8.703 -0.125 392 HG2 GLU 48 1HG GLU 48 -0.342 11.081 0.276 393 HG3 GLU 48 2HG GLU 48 -1.989 10.960 0.905 394 H GLN 49 H GLN 49 -0.858 9.448 -3.655 395 HA GLN 49 HA GLN 49 -0.865 6.494 -4.023 396 HB2 GLN 49 1HB GLN 49 -0.133 8.548 -6.142 397 HB3 GLN 49 2HB GLN 49 -0.476 6.841 -6.328 398 HG2 GLN 49 1HG GLN 49 -2.520 7.538 -6.943 399 HG3 GLN 49 2HG GLN 49 -2.820 7.579 -5.206 400 HE21 GLN 49 1HE2 GLN 49 -4.393 9.009 -6.802 401 HE22 GLN 49 2HE2 GLN 49 -4.106 10.732 -6.485 402 H GLY 50 H GLY 50 1.067 5.511 -4.802 403 HA2 GLY 50 1HA GLY 50 3.580 6.389 -5.134 404 HA3 GLY 50 2HA GLY 50 3.394 6.458 -3.374 405 H LEU 51 H LEU 51 5.122 4.855 -3.774 406 HA LEU 51 HA LEU 51 4.293 2.092 -4.332 407 HB2 LEU 51 1HB LEU 51 6.911 3.364 -3.410 408 HB3 LEU 51 2HB LEU 51 6.731 1.658 -3.802 409 HG LEU 51 HG LEU 51 6.138 3.875 -5.804 410 HD11 LEU 51 1HD1 LEU 51 8.499 3.990 -5.094 411 HD12 LEU 51 2HD1 LEU 51 8.294 3.499 -6.781 412 HD13 LEU 51 3HD1 LEU 51 8.702 2.281 -5.546 413 HD21 LEU 51 3HD2 LEU 51 6.661 0.894 -6.117 414 HD22 LEU 51 1HD2 LEU 51 6.400 2.038 -7.436 415 HD23 LEU 51 2HD2 LEU 51 5.084 1.689 -6.310 416 H ILE 52 H ILE 52 4.126 0.465 -2.831 417 HA ILE 52 HA ILE 52 4.787 0.947 -0.010 418 HB ILE 52 HB ILE 52 2.746 -0.035 0.805 419 HG12 ILE 52 1HG1 ILE 52 0.834 -0.012 -1.201 420 HG13 ILE 52 2HG1 ILE 52 2.242 -0.664 -2.042 421 HG21 ILE 52 1HG2 ILE 52 1.145 1.758 0.308 422 HG22 ILE 52 2HG2 ILE 52 2.786 2.377 0.580 423 HG23 ILE 52 3HG2 ILE 52 2.109 2.280 -1.062 424 HD11 ILE 52 3HD1 ILE 52 0.779 -2.406 -1.008 425 HD12 ILE 52 1HD1 ILE 52 2.406 -2.436 -0.297 426 HD13 ILE 52 2HD1 ILE 52 1.062 -1.675 0.582 427 H VAL 53 H VAL 53 5.248 -1.103 1.080 428 HA VAL 53 HA VAL 53 6.311 -3.027 -0.845 429 HB VAL 53 HB VAL 53 7.778 -1.904 0.772 430 HG11 VAL 53 1HG1 VAL 53 6.363 -3.469 2.959 431 HG12 VAL 53 2HG1 VAL 53 7.835 -2.487 3.131 432 HG13 VAL 53 3HG1 VAL 53 6.306 -1.710 2.728 433 HG21 VAL 53 3HG2 VAL 53 9.054 -3.865 1.463 434 HG22 VAL 53 1HG2 VAL 53 7.663 -4.912 1.132 435 HG23 VAL 53 2HG2 VAL 53 8.444 -4.024 -0.187 436 H GLU 54 H GLU 54 5.817 -5.211 -0.861 437 HA GLU 54 HA GLU 54 3.218 -5.940 0.079 438 HB2 GLU 54 1HB GLU 54 3.602 -8.043 -0.979 439 HB3 GLU 54 2HB GLU 54 4.184 -6.772 -2.037 440 HG2 GLU 54 1HG GLU 54 6.485 -7.278 -1.556 441 HG3 GLU 54 2HG GLU 54 6.059 -8.314 -0.199 442 H ASP 55 H ASP 55 6.142 -5.918 1.714 443 HA ASP 55 HA ASP 55 6.164 -8.349 3.137 444 HB2 ASP 55 1HB ASP 55 8.078 -6.832 2.938 445 HB3 ASP 55 2HB ASP 55 7.228 -5.587 3.827 446 H LEU 56 H LEU 56 4.164 -5.589 3.538 447 HA LEU 56 HA LEU 56 3.450 -6.265 6.361 448 HB2 LEU 56 1HB LEU 56 3.755 -3.571 4.985 449 HB3 LEU 56 2HB LEU 56 3.248 -3.782 6.664 450 HG LEU 56 HG LEU 56 5.933 -4.764 5.600 451 HD11 LEU 56 1HD1 LEU 56 5.784 -2.314 5.403 452 HD12 LEU 56 2HD1 LEU 56 6.962 -2.843 6.604 453 HD13 LEU 56 3HD1 LEU 56 5.386 -2.224 7.131 454 HD21 LEU 56 3HD2 LEU 56 6.574 -5.023 7.881 455 HD22 LEU 56 1HD2 LEU 56 5.000 -5.784 7.770 456 HD23 LEU 56 2HD2 LEU 56 5.166 -4.154 8.467 457 H VAL 57 H VAL 57 2.037 -6.816 3.580 458 HA VAL 57 HA VAL 57 -0.592 -5.706 4.383 459 HB VAL 57 HB VAL 57 -1.167 -5.339 2.084 460 HG11 VAL 57 1HG1 VAL 57 1.559 -4.050 2.475 461 HG12 VAL 57 2HG1 VAL 57 0.144 -3.438 1.596 462 HG13 VAL 57 3HG1 VAL 57 0.107 -3.548 3.360 463 HG21 VAL 57 3HG2 VAL 57 1.603 -6.393 1.408 464 HG22 VAL 57 1HG2 VAL 57 0.047 -7.074 0.911 465 HG23 VAL 57 2HG2 VAL 57 0.559 -5.512 0.262 466 H GLU 58 H GLU 58 -2.435 -6.897 3.396 467 HA GLU 58 HA GLU 58 -1.954 -9.777 2.861 468 HB2 GLU 58 1HB GLU 58 -4.159 -10.256 3.801 469 HB3 GLU 58 2HB GLU 58 -3.134 -9.562 5.055 470 HG2 GLU 58 1HG GLU 58 -4.291 -7.489 5.032 471 HG3 GLU 58 2HG GLU 58 -4.995 -7.765 3.464 472 H GLU 59 H GLU 59 -3.234 -10.660 1.286 473 HA GLU 59 HA GLU 59 -4.068 -8.892 -0.813 474 HB2 GLU 59 1HB GLU 59 -4.536 -10.979 -2.059 475 HB3 GLU 59 2HB GLU 59 -2.925 -10.929 -1.397 476 HG2 GLU 59 1HG GLU 59 -3.216 -12.840 -0.294 477 HG3 GLU 59 2HG GLU 59 -4.624 -12.224 0.545 478 H VAL 60 H VAL 60 -5.597 -7.944 0.989 479 HA VAL 60 HA VAL 60 -7.885 -9.317 1.763 480 HB VAL 60 HB VAL 60 -6.949 -7.076 2.534 481 HG11 VAL 60 1HG1 VAL 60 -8.884 -5.867 0.531 482 HG12 VAL 60 2HG1 VAL 60 -7.780 -5.020 1.635 483 HG13 VAL 60 3HG1 VAL 60 -7.141 -5.972 0.278 484 HG21 VAL 60 3HG2 VAL 60 -9.007 -6.269 3.484 485 HG22 VAL 60 1HG2 VAL 60 -9.965 -7.237 2.351 486 HG23 VAL 60 2HG2 VAL 60 -8.931 -8.044 3.558 487 H GLY 61 H GLY 61 -10.072 -9.218 1.108 488 HA2 GLY 61 1HA GLY 61 -10.716 -8.278 -1.646 489 HA3 GLY 61 2HA GLY 61 -10.998 -9.962 -1.181 490 H ARG 62 H ARG 62 -11.444 -7.454 1.204 491 HA ARG 62 HA ARG 62 -14.142 -8.378 1.668 492 HB2 ARG 62 1HB ARG 62 -14.074 -7.238 3.634 493 HB3 ARG 62 2HB ARG 62 -12.353 -7.477 3.377 494 HG2 ARG 62 1HG ARG 62 -12.291 -5.125 2.386 495 HG3 ARG 62 2HG ARG 62 -13.982 -4.946 2.929 496 HD2 ARG 62 1HD ARG 62 -13.227 -5.540 5.268 497 HD3 ARG 62 2HD ARG 62 -11.557 -5.589 4.649 498 HE ARG 62 HE ARG 62 -11.473 -3.386 4.377 499 HH11 ARG 62 1HH1 ARG 62 -14.805 -4.050 5.549 500 HH12 ARG 62 2HH1 ARG 62 -15.138 -2.375 5.821 501 HH21 ARG 62 1HH2 ARG 62 -11.855 -1.258 5.039 502 HH22 ARG 62 2HH2 ARG 62 -13.416 -0.776 5.588 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -7.098 -7.732 -13.618 2 HA2 GLY 1 1HA GLY 1 -9.093 -7.454 -12.229 3 HA3 GLY 1 2HA GLY 1 -7.698 -7.957 -11.256 4 H ARG 2 H ARG 2 -6.252 -5.828 -10.627 5 HA ARG 2 HA ARG 2 -6.079 -3.931 -9.435 6 HB2 ARG 2 1HB ARG 2 -8.562 -3.016 -10.930 7 HB3 ARG 2 2HB ARG 2 -7.518 -1.985 -9.965 8 HG2 ARG 2 1HG ARG 2 -5.679 -2.192 -11.454 9 HG3 ARG 2 2HG ARG 2 -6.330 -3.639 -12.222 10 HD2 ARG 2 1HD ARG 2 -6.786 -2.159 -13.856 11 HD3 ARG 2 2HD ARG 2 -8.316 -2.141 -12.962 12 HE ARG 2 HE ARG 2 -6.340 -0.136 -12.161 13 HH11 ARG 2 1HH1 ARG 2 -8.852 -0.845 -14.513 14 HH12 ARG 2 2HH1 ARG 2 -9.259 0.792 -14.895 15 HH21 ARG 2 1HH2 ARG 2 -6.668 2.087 -12.741 16 HH22 ARG 2 2HH2 ARG 2 -7.987 2.511 -13.753 17 H ARG 3 H ARG 3 -6.476 -5.506 -7.735 18 HA ARG 3 HA ARG 3 -9.183 -5.567 -6.515 19 HB2 ARG 3 1HB ARG 3 -8.332 -7.505 -5.243 20 HB3 ARG 3 2HB ARG 3 -8.380 -7.718 -6.965 21 HG2 ARG 3 1HG ARG 3 -6.407 -8.743 -6.500 22 HG3 ARG 3 2HG ARG 3 -5.826 -7.174 -6.972 23 HD2 ARG 3 1HD ARG 3 -4.610 -7.817 -5.004 24 HD3 ARG 3 2HD ARG 3 -5.731 -6.574 -4.478 25 HE ARG 3 HE ARG 3 -6.813 -8.130 -3.147 26 HH11 ARG 3 1HH1 ARG 3 -4.504 -9.839 -5.334 27 HH12 ARG 3 2HH1 ARG 3 -4.858 -11.359 -4.598 28 HH21 ARG 3 1HH2 ARG 3 -7.397 -10.273 -2.475 29 HH22 ARG 3 2HH2 ARG 3 -6.437 -11.637 -3.014 30 H ARG 4 H ARG 4 -8.270 -6.003 -3.814 31 HA ARG 4 HA ARG 4 -6.853 -3.449 -3.225 32 HB2 ARG 4 1HB ARG 4 -9.027 -4.569 -1.453 33 HB3 ARG 4 2HB ARG 4 -8.366 -2.955 -1.544 34 HG2 ARG 4 1HG ARG 4 -10.257 -4.107 -3.599 35 HG3 ARG 4 2HG ARG 4 -10.633 -2.974 -2.310 36 HD2 ARG 4 1HD ARG 4 -9.949 -1.200 -3.484 37 HD3 ARG 4 2HD ARG 4 -8.403 -1.950 -3.844 38 HE ARG 4 HE ARG 4 -9.145 -2.822 -5.837 39 HH11 ARG 4 1HH1 ARG 4 -11.805 -1.052 -4.292 40 HH12 ARG 4 2HH1 ARG 4 -12.512 -0.609 -5.829 41 HH21 ARG 4 1HH2 ARG 4 -10.363 -2.672 -7.734 42 HH22 ARG 4 2HH2 ARG 4 -11.873 -1.825 -7.754 43 H VAL 5 H VAL 5 -5.441 -3.613 -1.328 44 HA VAL 5 HA VAL 5 -5.365 -6.270 -0.100 45 HB VAL 5 HB VAL 5 -2.918 -6.210 0.165 46 HG11 VAL 5 1HG1 VAL 5 -2.371 -7.002 -2.069 47 HG12 VAL 5 2HG1 VAL 5 -3.923 -7.619 -1.505 48 HG13 VAL 5 3HG1 VAL 5 -3.886 -6.337 -2.713 49 HG21 VAL 5 3HG2 VAL 5 -1.653 -4.760 -1.569 50 HG22 VAL 5 1HG2 VAL 5 -3.066 -3.682 -1.466 51 HG23 VAL 5 2HG2 VAL 5 -2.156 -4.057 -0.028 52 H ARG 6 H ARG 6 -4.755 -6.206 2.199 53 HA ARG 6 HA ARG 6 -5.266 -3.435 3.395 54 HB2 ARG 6 1HB ARG 6 -7.100 -4.831 3.837 55 HB3 ARG 6 2HB ARG 6 -6.073 -6.216 4.217 56 HG2 ARG 6 1HG ARG 6 -5.482 -5.475 6.322 57 HG3 ARG 6 2HG ARG 6 -6.039 -3.810 6.022 58 HD2 ARG 6 1HD ARG 6 -7.914 -6.217 5.969 59 HD3 ARG 6 2HD ARG 6 -7.544 -5.306 7.429 60 HE ARG 6 HE ARG 6 -9.136 -4.402 5.136 61 HH11 ARG 6 1HH1 ARG 6 -7.446 -3.462 8.057 62 HH12 ARG 6 2HH1 ARG 6 -8.158 -1.901 8.208 63 HH21 ARG 6 1HH2 ARG 6 -10.461 -2.515 5.517 64 HH22 ARG 6 2HH2 ARG 6 -10.040 -1.398 6.759 65 H ALA 7 H ALA 7 -3.941 -2.725 5.192 66 HA ALA 7 HA ALA 7 -1.343 -4.054 5.360 67 HB1 ALA 7 1HB ALA 7 -0.796 -2.239 6.921 68 HB2 ALA 7 2HB ALA 7 -1.500 -1.614 5.427 69 HB3 ALA 7 3HB ALA 7 -2.491 -1.690 6.896 70 H ILE 8 H ILE 8 -0.604 -5.381 6.866 71 HA ILE 8 HA ILE 8 -2.155 -5.697 9.395 72 HB ILE 8 HB ILE 8 -1.236 -7.865 9.681 73 HG12 ILE 8 1HG1 ILE 8 0.837 -7.314 8.107 74 HG13 ILE 8 2HG1 ILE 8 0.304 -8.942 8.462 75 HG21 ILE 8 1HG2 ILE 8 -3.430 -7.634 8.670 76 HG22 ILE 8 2HG2 ILE 8 -2.729 -7.562 7.047 77 HG23 ILE 8 3HG2 ILE 8 -2.592 -9.045 8.007 78 HD11 ILE 8 3HD1 ILE 8 -0.566 -7.439 5.979 79 HD12 ILE 8 1HD1 ILE 8 0.846 -8.516 6.054 80 HD13 ILE 8 2HD1 ILE 8 -0.780 -9.163 6.318 81 H LEU 9 H LEU 9 0.475 -4.009 8.288 82 HA LEU 9 HA LEU 9 1.368 -3.554 11.033 83 HB2 LEU 9 1HB LEU 9 3.031 -4.835 8.835 84 HB3 LEU 9 2HB LEU 9 3.828 -3.630 9.819 85 HG LEU 9 HG LEU 9 2.502 -6.058 11.084 86 HD11 LEU 9 1HD1 LEU 9 4.137 -6.848 9.450 87 HD12 LEU 9 2HD1 LEU 9 4.705 -7.121 11.097 88 HD13 LEU 9 3HD1 LEU 9 5.385 -5.789 10.140 89 HD21 LEU 9 3HD2 LEU 9 4.053 -5.578 12.930 90 HD22 LEU 9 1HD2 LEU 9 3.021 -4.187 12.617 91 HD23 LEU 9 2HD2 LEU 9 4.714 -4.182 12.050 92 HA PRO 10 HA PRO 10 1.605 0.489 9.235 93 HB2 PRO 10 1HB PRO 10 3.282 1.796 10.952 94 HB3 PRO 10 2HB PRO 10 1.656 1.270 11.460 95 HG2 PRO 10 1HG PRO 10 4.294 -0.008 12.089 96 HG3 PRO 10 2HG PRO 10 2.825 0.126 13.101 97 HD2 PRO 10 1HD PRO 10 3.612 -2.098 11.590 98 HD3 PRO 10 2HD PRO 10 1.990 -1.822 12.275 99 H TYR 11 H TYR 11 2.805 1.324 7.573 100 HA TYR 11 HA TYR 11 5.565 0.312 7.194 101 HB2 TYR 11 1HB TYR 11 4.033 0.312 5.272 102 HB3 TYR 11 2HB TYR 11 3.850 2.066 5.415 103 HD1 TYR 11 1HD TYR 11 6.791 -0.364 5.430 104 HD2 TYR 11 2HD TYR 11 5.027 3.190 3.711 105 HE1 TYR 11 1HE TYR 11 8.894 0.100 4.215 106 HE2 TYR 11 2HE TYR 11 7.108 3.626 2.473 107 HH TYR 11 HH TYR 11 9.353 3.077 2.248 108 H THR 12 H THR 12 6.949 2.338 6.220 109 HA THR 12 HA THR 12 6.703 4.792 7.751 110 HB THR 12 HB THR 12 8.989 2.802 8.118 111 HG1 THR 12 1HG THR 12 6.791 3.220 9.469 112 HG21 THR 12 3HG2 THR 12 9.962 5.032 7.836 113 HG22 THR 12 1HG2 THR 12 10.070 4.518 9.506 114 HG23 THR 12 2HG2 THR 12 8.833 5.704 9.034 115 H LYS 13 H LYS 13 6.614 5.943 5.797 116 HA LYS 13 HA LYS 13 8.308 5.114 3.582 117 HB2 LYS 13 1HB LYS 13 7.489 6.861 2.323 118 HB3 LYS 13 2HB LYS 13 6.126 6.330 3.255 119 HG2 LYS 13 1HG LYS 13 6.177 8.329 4.610 120 HG3 LYS 13 2HG LYS 13 7.828 8.678 4.140 121 HD2 LYS 13 1HD LYS 13 6.822 8.868 1.684 122 HD3 LYS 13 2HD LYS 13 5.304 9.123 2.567 123 HE2 LYS 13 1HE LYS 13 6.848 10.743 3.999 124 HE3 LYS 13 2HE LYS 13 7.892 10.689 2.583 125 HZ1 LYS 13 3HZ LYS 13 6.325 12.563 2.545 126 HZ2 LYS 13 1HZ LYS 13 5.054 11.528 2.391 127 HZ3 LYS 13 2HZ LYS 13 6.232 11.639 1.235 128 H VAL 14 H VAL 14 9.981 6.393 2.618 129 HA VAL 14 HA VAL 14 11.866 7.654 4.509 130 HB VAL 14 HB VAL 14 13.337 7.468 2.422 131 HG11 VAL 14 1HG1 VAL 14 12.234 4.902 3.658 132 HG12 VAL 14 2HG1 VAL 14 13.739 5.033 2.740 133 HG13 VAL 14 3HG1 VAL 14 13.583 5.875 4.279 134 HG21 VAL 14 3HG2 VAL 14 11.317 7.140 0.910 135 HG22 VAL 14 1HG2 VAL 14 12.868 6.288 0.597 136 HG23 VAL 14 2HG2 VAL 14 11.494 5.439 1.341 137 HA PRO 15 HA PRO 15 10.684 11.571 2.712 138 HB2 PRO 15 1HB PRO 15 12.874 13.116 2.911 139 HB3 PRO 15 2HB PRO 15 12.174 12.337 4.336 140 HG2 PRO 15 1HG PRO 15 14.625 11.507 2.822 141 HG3 PRO 15 2HG PRO 15 14.287 11.419 4.565 142 HD2 PRO 15 1HD PRO 15 14.007 9.367 2.665 143 HD3 PRO 15 2HD PRO 15 13.437 9.297 4.361 144 H ASP 16 H ASP 16 10.807 13.051 0.943 145 HA ASP 16 HA ASP 16 11.288 13.951 -1.078 146 HB2 ASP 16 1HB ASP 16 14.021 12.776 -0.526 147 HB3 ASP 16 2HB ASP 16 13.667 13.815 -1.882 148 H THR 17 H THR 17 9.954 11.424 -1.155 149 HA THR 17 HA THR 17 11.095 10.016 -3.505 150 HB THR 17 HB THR 17 10.587 7.873 -1.979 151 HG1 THR 17 1HG THR 17 11.580 9.638 -0.076 152 HG21 THR 17 3HG2 THR 17 12.951 7.874 -1.175 153 HG22 THR 17 1HG2 THR 17 13.124 9.540 -1.754 154 HG23 THR 17 2HG2 THR 17 12.793 8.239 -2.902 155 H ASP 18 H ASP 18 9.724 8.345 -4.309 156 HA ASP 18 HA ASP 18 6.937 9.179 -4.526 157 HB2 ASP 18 1HB ASP 18 8.479 6.897 -5.804 158 HB3 ASP 18 2HB ASP 18 6.892 7.469 -6.313 159 H GLU 19 H GLU 19 7.595 8.237 -1.908 160 HA GLU 19 HA GLU 19 6.143 5.640 -1.765 161 HB2 GLU 19 1HB GLU 19 8.297 6.795 0.026 162 HB3 GLU 19 2HB GLU 19 7.123 5.579 0.584 163 HG2 GLU 19 1HG GLU 19 7.825 4.033 -1.170 164 HG3 GLU 19 2HG GLU 19 9.044 5.201 -1.726 165 H ILE 20 H ILE 20 4.884 5.511 0.327 166 HA ILE 20 HA ILE 20 3.647 7.996 1.287 167 HB ILE 20 HB ILE 20 1.408 6.910 0.787 168 HG12 ILE 20 1HG1 ILE 20 3.073 5.145 -1.093 169 HG13 ILE 20 2HG1 ILE 20 2.143 4.604 0.298 170 HG21 ILE 20 1HG2 ILE 20 2.986 7.668 -1.702 171 HG22 ILE 20 2HG2 ILE 20 1.250 7.861 -1.410 172 HG23 ILE 20 3HG2 ILE 20 2.406 8.830 -0.495 173 HD11 ILE 20 3HD1 ILE 20 1.005 5.783 -2.273 174 HD12 ILE 20 1HD1 ILE 20 1.019 4.093 -1.798 175 HD13 ILE 20 2HD1 ILE 20 0.045 5.247 -0.885 176 H SER 21 H SER 21 2.890 7.673 3.454 177 HA SER 21 HA SER 21 3.252 4.913 4.534 178 HB2 SER 21 1HB SER 21 4.062 5.924 6.578 179 HB3 SER 21 2HB SER 21 5.044 6.403 5.196 180 HG SER 21 HG SER 21 3.651 8.374 5.188 181 H PHE 22 H PHE 22 2.121 4.357 6.430 182 HA PHE 22 HA PHE 22 -0.021 5.882 7.451 183 HB2 PHE 22 1HB PHE 22 -0.763 4.618 5.147 184 HB3 PHE 22 2HB PHE 22 -1.082 3.338 6.246 185 HD1 PHE 22 1HD PHE 22 -1.908 6.051 8.313 186 HD2 PHE 22 2HD PHE 22 -3.198 4.215 4.640 187 HE1 PHE 22 1HE PHE 22 -4.197 6.821 8.741 188 HE2 PHE 22 2HE PHE 22 -5.479 5.095 5.018 189 HZ PHE 22 HZ PHE 22 -6.005 6.353 7.103 190 H LEU 23 H LEU 23 -1.515 3.909 8.524 191 HA LEU 23 HA LEU 23 0.413 2.779 10.518 192 HB2 LEU 23 1HB LEU 23 -2.568 3.378 10.756 193 HB3 LEU 23 2HB LEU 23 -1.609 2.580 11.981 194 HG LEU 23 HG LEU 23 -1.862 4.753 12.706 195 HD11 LEU 23 1HD1 LEU 23 0.939 4.700 11.524 196 HD12 LEU 23 2HD1 LEU 23 0.430 3.852 13.010 197 HD13 LEU 23 3HD1 LEU 23 0.395 5.625 12.929 198 HD21 LEU 23 3HD2 LEU 23 -0.719 5.980 10.193 199 HD22 LEU 23 1HD2 LEU 23 -1.437 6.792 11.585 200 HD23 LEU 23 2HD2 LEU 23 -2.468 5.825 10.521 201 H LYS 24 H LYS 24 -0.384 0.546 11.543 202 HA LYS 24 HA LYS 24 -1.096 -1.426 9.654 203 HB2 LYS 24 1HB LYS 24 -0.096 -1.832 11.869 204 HB3 LYS 24 2HB LYS 24 -1.508 -1.155 12.677 205 HG2 LYS 24 1HG LYS 24 -2.890 -2.977 11.969 206 HG3 LYS 24 2HG LYS 24 -1.639 -3.608 10.887 207 HD2 LYS 24 1HD LYS 24 -0.198 -4.101 12.849 208 HD3 LYS 24 2HD LYS 24 -1.398 -3.395 13.913 209 HE2 LYS 24 1HE LYS 24 -1.642 -5.961 12.282 210 HE3 LYS 24 2HE LYS 24 -1.566 -5.797 14.045 211 HZ1 LYS 24 3HZ LYS 24 -3.784 -6.147 13.484 212 HZ2 LYS 24 1HZ LYS 24 -3.787 -5.046 12.257 213 HZ3 LYS 24 2HZ LYS 24 -3.718 -4.530 13.817 214 H GLY 25 H GLY 25 -3.194 -2.514 9.410 215 HA2 GLY 25 1HA GLY 25 -5.450 -2.726 9.439 216 HA3 GLY 25 2HA GLY 25 -5.546 -1.406 10.611 217 H ASP 26 H ASP 26 -3.802 -0.517 7.722 218 HA ASP 26 HA ASP 26 -6.085 1.056 6.800 219 HB2 ASP 26 1HB ASP 26 -4.655 2.600 6.120 220 HB3 ASP 26 2HB ASP 26 -3.613 1.885 7.327 221 H MET 27 H MET 27 -5.264 1.288 4.042 222 HA MET 27 HA MET 27 -5.909 -1.313 2.895 223 HB2 MET 27 1HB MET 27 -7.969 0.709 3.461 224 HB3 MET 27 2HB MET 27 -7.831 0.327 1.753 225 HG2 MET 27 1HG MET 27 -7.924 -2.145 2.541 226 HG3 MET 27 2HG MET 27 -8.547 -1.485 4.006 227 HE1 MET 27 3HE MET 27 -9.685 -2.761 0.512 228 HE2 MET 27 1HE MET 27 -10.313 -3.457 2.027 229 HE3 MET 27 2HE MET 27 -11.404 -2.633 0.892 230 H PHE 28 H PHE 28 -5.399 -1.322 0.887 231 HA PHE 28 HA PHE 28 -4.508 1.156 -0.556 232 HB2 PHE 28 1HB PHE 28 -3.117 -1.539 -0.489 233 HB3 PHE 28 2HB PHE 28 -2.600 -0.139 -1.412 234 HD1 PHE 28 2HD PHE 28 -2.253 2.105 0.049 235 HD2 PHE 28 1HD PHE 28 -2.226 -1.907 1.647 236 HE1 PHE 28 2HE PHE 28 -1.040 2.899 2.043 237 HE2 PHE 28 1HE PHE 28 -0.716 -1.121 3.490 238 HZ PHE 28 HZ PHE 28 -0.150 1.263 3.690 239 H ILE 29 H ILE 29 -4.582 1.048 -2.836 240 HA ILE 29 HA ILE 29 -6.275 -1.162 -3.949 241 HB ILE 29 HB ILE 29 -7.249 0.335 -5.471 242 HG12 ILE 29 1HG1 ILE 29 -5.500 2.596 -4.429 243 HG13 ILE 29 2HG1 ILE 29 -5.358 1.828 -6.022 244 HG21 ILE 29 1HG2 ILE 29 -7.283 1.779 -2.804 245 HG22 ILE 29 2HG2 ILE 29 -8.581 1.672 -4.009 246 HG23 ILE 29 3HG2 ILE 29 -8.102 0.236 -3.121 247 HD11 ILE 29 3HD1 ILE 29 -7.650 2.490 -6.584 248 HD12 ILE 29 1HD1 ILE 29 -7.705 3.466 -5.091 249 HD13 ILE 29 2HD1 ILE 29 -6.527 3.837 -6.361 250 H VAL 30 H VAL 30 -5.140 -2.556 -5.254 251 HA VAL 30 HA VAL 30 -2.471 -1.884 -6.089 252 HB VAL 30 HB VAL 30 -2.821 -4.185 -5.798 253 HG11 VAL 30 1HG1 VAL 30 -4.419 -5.444 -7.364 254 HG12 VAL 30 2HG1 VAL 30 -4.949 -4.792 -5.812 255 HG13 VAL 30 3HG1 VAL 30 -5.303 -3.901 -7.326 256 HG21 VAL 30 3HG2 VAL 30 -2.693 -3.715 -8.782 257 HG22 VAL 30 1HG2 VAL 30 -1.335 -3.556 -7.646 258 HG23 VAL 30 2HG2 VAL 30 -2.109 -5.128 -7.903 259 H HIS 31 H HIS 31 -1.858 -0.545 -7.644 260 HA HIS 31 HA HIS 31 -3.732 0.028 -9.859 261 HB2 HIS 31 1HB HIS 31 -2.064 1.719 -8.098 262 HB3 HIS 31 2HB HIS 31 -1.792 2.028 -9.793 263 HD1 HIS 31 1HD HIS 31 -4.817 1.754 -10.886 264 HD2 HIS 31 2HD HIS 31 -3.405 3.827 -7.490 265 HE1 HIS 31 1HE HIS 31 -6.464 3.667 -10.484 266 H ASN 32 H ASN 32 -0.351 -0.877 -8.959 267 HA ASN 32 HA ASN 32 -0.162 -2.160 -11.534 268 HB2 ASN 32 1HB ASN 32 0.923 0.251 -11.748 269 HB3 ASN 32 2HB ASN 32 2.232 -0.455 -10.816 270 HD21 ASN 32 1HD2 ASN 32 3.783 -1.710 -12.139 271 HD22 ASN 32 2HD2 ASN 32 3.379 -2.226 -13.746 272 H GLU 33 H GLU 33 1.996 -3.323 -11.597 273 HA GLU 33 HA GLU 33 2.624 -4.589 -8.975 274 HB2 GLU 33 1HB GLU 33 1.729 -5.879 -11.586 275 HB3 GLU 33 2HB GLU 33 2.510 -6.762 -10.260 276 HG2 GLU 33 1HG GLU 33 0.745 -6.376 -8.754 277 HG3 GLU 33 2HG GLU 33 0.019 -5.098 -9.738 278 H LEU 34 H LEU 34 4.713 -4.595 -8.729 279 HA LEU 34 HA LEU 34 6.527 -3.995 -11.025 280 HB2 LEU 34 1HB LEU 34 6.813 -3.564 -8.047 281 HB3 LEU 34 2HB LEU 34 8.090 -3.203 -9.194 282 HG LEU 34 HG LEU 34 5.384 -1.991 -9.769 283 HD11 LEU 34 1HD1 LEU 34 7.188 -0.891 -7.604 284 HD12 LEU 34 2HD1 LEU 34 5.609 -1.640 -7.375 285 HD13 LEU 34 3HD1 LEU 34 5.720 -0.130 -8.297 286 HD21 LEU 34 3HD2 LEU 34 8.186 -0.815 -9.893 287 HD22 LEU 34 1HD2 LEU 34 6.692 -0.128 -10.558 288 HD23 LEU 34 2HD2 LEU 34 7.358 -1.632 -11.237 289 H GLU 35 H GLU 35 8.934 -4.880 -9.643 290 HA GLU 35 HA GLU 35 8.782 -7.820 -9.560 291 HB2 GLU 35 1HB GLU 35 10.346 -6.197 -11.610 292 HB3 GLU 35 2HB GLU 35 10.806 -7.829 -11.188 293 HG2 GLU 35 1HG GLU 35 8.004 -7.140 -12.134 294 HG3 GLU 35 2HG GLU 35 9.304 -7.475 -13.266 295 H ASP 36 H ASP 36 9.188 -7.154 -7.414 296 HA ASP 36 HA ASP 36 11.802 -6.886 -6.367 297 HB2 ASP 36 1HB ASP 36 11.803 -4.477 -5.710 298 HB3 ASP 36 2HB ASP 36 12.022 -4.764 -7.417 299 H GLY 37 H GLY 37 8.517 -7.311 -5.885 300 HA2 GLY 37 1HA GLY 37 7.293 -7.796 -4.021 301 HA3 GLY 37 2HA GLY 37 8.628 -7.409 -2.971 302 H TRP 38 H TRP 38 8.081 -4.809 -5.215 303 HA TRP 38 HA TRP 38 6.436 -3.347 -3.226 304 HB2 TRP 38 1HB TRP 38 8.092 -2.365 -5.591 305 HB3 TRP 38 2HB TRP 38 7.071 -1.372 -4.582 306 HD1 TRP 38 HD TRP 38 10.312 -3.459 -4.255 307 HE1 TRP 38 1HE TRP 38 11.583 -2.718 -2.178 308 HE3 TRP 38 3HE TRP 38 6.922 -0.175 -2.499 309 HZ2 TRP 38 2HZ TRP 38 11.027 -1.025 0.149 310 HZ3 TRP 38 3HZ TRP 38 7.160 0.895 -0.284 311 HH2 TRP 38 HH TRP 38 9.240 0.438 1.074 312 H MET 39 H MET 39 4.709 -1.964 -4.190 313 HA MET 39 HA MET 39 3.659 -2.846 -6.828 314 HB2 MET 39 1HB MET 39 2.059 -2.591 -4.253 315 HB3 MET 39 2HB MET 39 1.334 -2.703 -5.863 316 HG2 MET 39 1HG MET 39 2.302 -4.908 -6.226 317 HG3 MET 39 2HG MET 39 3.154 -4.837 -4.683 318 HE1 MET 39 3HE MET 39 0.689 -5.372 -1.968 319 HE2 MET 39 1HE MET 39 2.232 -4.648 -2.482 320 HE3 MET 39 2HE MET 39 0.748 -3.696 -2.572 321 H TRP 40 H TRP 40 2.264 -1.112 -7.734 322 HA TRP 40 HA TRP 40 2.620 1.560 -6.403 323 HB2 TRP 40 1HB TRP 40 2.984 1.274 -8.933 324 HB3 TRP 40 2HB TRP 40 1.236 1.108 -9.051 325 HD1 TRP 40 HD TRP 40 -0.209 3.375 -8.624 326 HE1 TRP 40 1HE TRP 40 0.427 5.853 -8.588 327 HE3 TRP 40 3HE TRP 40 4.802 2.836 -8.075 328 HZ2 TRP 40 2HZ TRP 40 2.885 7.423 -8.331 329 HZ3 TRP 40 3HZ TRP 40 6.301 4.870 -7.900 330 HH2 TRP 40 HH TRP 40 5.325 7.135 -8.073 331 H VAL 41 H VAL 41 0.906 2.446 -5.256 332 HA VAL 41 HA VAL 41 -1.786 1.431 -5.736 333 HB VAL 41 HB VAL 41 -2.280 0.911 -3.481 334 HG11 VAL 41 1HG1 VAL 41 0.415 -0.404 -3.912 335 HG12 VAL 41 2HG1 VAL 41 -0.896 -0.975 -2.893 336 HG13 VAL 41 3HG1 VAL 41 -1.102 -0.917 -4.655 337 HG21 VAL 41 3HG2 VAL 41 0.348 2.108 -2.654 338 HG22 VAL 41 1HG2 VAL 41 -1.274 2.579 -2.182 339 HG23 VAL 41 2HG2 VAL 41 -0.619 1.058 -1.608 340 H THR 42 H THR 42 -3.372 2.738 -4.277 341 HA THR 42 HA THR 42 -2.353 5.481 -3.772 342 HB THR 42 HB THR 42 -5.292 4.722 -4.004 343 HG1 THR 42 1HG THR 42 -5.206 5.768 -6.014 344 HG21 THR 42 3HG2 THR 42 -5.430 7.216 -4.332 345 HG22 THR 42 1HG2 THR 42 -3.720 7.316 -3.945 346 HG23 THR 42 2HG2 THR 42 -4.871 6.702 -2.740 347 H ASN 43 H ASN 43 -2.560 6.198 -1.738 348 HA ASN 43 HA ASN 43 -3.192 4.391 0.496 349 HB2 ASN 43 1HB ASN 43 -1.462 6.647 0.032 350 HB3 ASN 43 2HB ASN 43 -2.631 7.236 1.170 351 HD21 ASN 43 1HD2 ASN 43 -2.667 5.967 3.516 352 HD22 ASN 43 2HD2 ASN 43 -1.174 5.109 3.704 353 H LEU 44 H LEU 44 -5.374 4.211 0.925 354 HA LEU 44 HA LEU 44 -7.347 6.051 0.024 355 HB2 LEU 44 1HB LEU 44 -7.509 4.029 2.300 356 HB3 LEU 44 2HB LEU 44 -8.876 4.940 1.659 357 HG LEU 44 HG LEU 44 -7.308 2.759 0.256 358 HD11 LEU 44 1HD1 LEU 44 -10.267 3.206 0.912 359 HD12 LEU 44 2HD1 LEU 44 -9.184 2.158 1.821 360 HD13 LEU 44 3HD1 LEU 44 -9.614 1.772 0.139 361 HD21 LEU 44 3HD2 LEU 44 -7.653 4.429 -1.480 362 HD22 LEU 44 1HD2 LEU 44 -9.318 4.706 -0.933 363 HD23 LEU 44 2HD2 LEU 44 -8.862 3.162 -1.693 364 H ARG 45 H ARG 45 -5.223 6.603 2.564 365 HA ARG 45 HA ARG 45 -6.751 8.113 4.434 366 HB2 ARG 45 1HB ARG 45 -4.336 7.483 4.681 367 HB3 ARG 45 2HB ARG 45 -3.906 8.610 3.416 368 HG2 ARG 45 1HG ARG 45 -4.423 10.500 4.783 369 HG3 ARG 45 2HG ARG 45 -5.356 9.540 5.922 370 HD2 ARG 45 1HD ARG 45 -3.050 10.296 6.732 371 HD3 ARG 45 2HD ARG 45 -3.465 8.605 6.942 372 HE ARG 45 HE ARG 45 -1.646 8.031 5.749 373 HH11 ARG 45 1HH1 ARG 45 -2.302 11.464 4.812 374 HH12 ARG 45 2HH1 ARG 45 -1.215 11.316 3.448 375 HH21 ARG 45 1HH2 ARG 45 0.006 8.173 4.032 376 HH22 ARG 45 2HH2 ARG 45 -0.021 9.645 3.052 377 H THR 46 H THR 46 -5.563 8.990 1.174 378 HA THR 46 HA THR 46 -6.993 11.533 1.239 379 HB THR 46 HB THR 46 -5.136 11.794 2.889 380 HG1 THR 46 1HG THR 46 -4.819 13.497 0.692 381 HG21 THR 46 3HG2 THR 46 -2.845 12.151 1.986 382 HG22 THR 46 1HG2 THR 46 -3.411 11.384 0.483 383 HG23 THR 46 2HG2 THR 46 -3.378 10.459 1.986 384 H ASP 47 H ASP 47 -5.759 9.047 -0.596 385 HA ASP 47 HA ASP 47 -5.552 8.707 -2.687 386 HB2 ASP 47 1HB ASP 47 -7.355 10.638 -2.930 387 HB3 ASP 47 2HB ASP 47 -6.018 11.446 -3.777 388 H GLU 48 H GLU 48 -3.393 9.837 -0.922 389 HA GLU 48 HA GLU 48 -1.355 10.925 -2.730 390 HB2 GLU 48 1HB GLU 48 -1.368 9.730 0.063 391 HB3 GLU 48 2HB GLU 48 0.141 9.877 -0.827 392 HG2 GLU 48 1HG GLU 48 -0.135 12.262 -1.105 393 HG3 GLU 48 2HG GLU 48 -1.689 12.246 -0.268 394 H GLN 49 H GLN 49 0.123 9.690 -3.924 395 HA GLN 49 HA GLN 49 -0.463 6.772 -4.195 396 HB2 GLN 49 1HB GLN 49 -0.104 8.945 -6.298 397 HB3 GLN 49 2HB GLN 49 -0.034 7.203 -6.664 398 HG2 GLN 49 1HG GLN 49 -2.302 6.878 -5.896 399 HG3 GLN 49 2HG GLN 49 -2.412 8.547 -5.331 400 HE21 GLN 49 1HE2 GLN 49 -4.400 8.765 -6.716 401 HE22 GLN 49 2HE2 GLN 49 -4.126 9.072 -8.412 402 H GLY 50 H GLY 50 1.352 5.493 -4.942 403 HA2 GLY 50 1HA GLY 50 3.925 6.127 -5.493 404 HA3 GLY 50 2HA GLY 50 3.816 6.514 -3.770 405 H LEU 51 H LEU 51 5.324 4.873 -3.462 406 HA LEU 51 HA LEU 51 4.665 2.068 -4.044 407 HB2 LEU 51 1HB LEU 51 7.154 3.567 -3.198 408 HB3 LEU 51 2HB LEU 51 7.111 1.820 -3.401 409 HG LEU 51 HG LEU 51 6.410 3.795 -5.620 410 HD11 LEU 51 1HD1 LEU 51 8.766 4.001 -4.926 411 HD12 LEU 51 2HD1 LEU 51 8.576 3.318 -6.569 412 HD13 LEU 51 3HD1 LEU 51 9.004 2.260 -5.208 413 HD21 LEU 51 3HD2 LEU 51 6.799 1.765 -7.064 414 HD22 LEU 51 1HD2 LEU 51 5.385 1.651 -6.029 415 HD23 LEU 51 2HD2 LEU 51 6.868 0.784 -5.588 416 H ILE 52 H ILE 52 4.542 0.445 -2.609 417 HA ILE 52 HA ILE 52 5.000 0.709 0.257 418 HB ILE 52 HB ILE 52 2.902 -0.239 0.842 419 HG12 ILE 52 1HG1 ILE 52 1.104 -0.246 -1.218 420 HG13 ILE 52 2HG1 ILE 52 2.559 -0.856 -2.002 421 HG21 ILE 52 1HG2 ILE 52 1.305 1.514 0.409 422 HG22 ILE 52 2HG2 ILE 52 2.918 2.261 0.529 423 HG23 ILE 52 3HG2 ILE 52 2.175 2.017 -1.054 424 HD11 ILE 52 3HD1 ILE 52 1.586 -1.993 0.657 425 HD12 ILE 52 1HD1 ILE 52 0.876 -2.501 -0.863 426 HD13 ILE 52 2HD1 ILE 52 2.614 -2.759 -0.581 427 H VAL 53 H VAL 53 5.342 -1.522 1.155 428 HA VAL 53 HA VAL 53 6.293 -3.371 -0.948 429 HB VAL 53 HB VAL 53 7.888 -2.534 0.755 430 HG11 VAL 53 1HG1 VAL 53 7.877 -3.370 3.036 431 HG12 VAL 53 2HG1 VAL 53 6.388 -2.462 2.744 432 HG13 VAL 53 3HG1 VAL 53 6.366 -4.246 2.752 433 HG21 VAL 53 3HG2 VAL 53 7.435 -5.536 0.896 434 HG22 VAL 53 1HG2 VAL 53 8.217 -4.667 -0.436 435 HG23 VAL 53 2HG2 VAL 53 8.951 -4.653 1.185 436 H GLU 54 H GLU 54 5.505 -5.503 -1.092 437 HA GLU 54 HA GLU 54 2.811 -5.704 -0.145 438 HB2 GLU 54 1HB GLU 54 2.538 -7.559 -1.492 439 HB3 GLU 54 2HB GLU 54 3.517 -6.394 -2.382 440 HG2 GLU 54 1HG GLU 54 5.530 -7.698 -1.958 441 HG3 GLU 54 2HG GLU 54 4.601 -8.903 -1.080 442 H ASP 55 H ASP 55 5.760 -6.645 1.185 443 HA ASP 55 HA ASP 55 5.219 -9.032 2.559 444 HB2 ASP 55 1HB ASP 55 7.429 -7.944 2.331 445 HB3 ASP 55 2HB ASP 55 6.912 -6.661 3.413 446 H LEU 56 H LEU 56 3.972 -5.883 3.142 447 HA LEU 56 HA LEU 56 3.329 -6.400 6.016 448 HB2 LEU 56 1HB LEU 56 3.553 -3.831 4.423 449 HB3 LEU 56 2HB LEU 56 3.163 -3.929 6.148 450 HG LEU 56 HG LEU 56 5.794 -4.745 4.846 451 HD11 LEU 56 1HD1 LEU 56 6.702 -2.812 6.040 452 HD12 LEU 56 2HD1 LEU 56 5.080 -2.431 6.699 453 HD13 LEU 56 3HD1 LEU 56 5.395 -2.310 4.951 454 HD21 LEU 56 3HD2 LEU 56 6.666 -4.971 7.131 455 HD22 LEU 56 1HD2 LEU 56 5.437 -6.185 6.789 456 HD23 LEU 56 2HD2 LEU 56 5.038 -4.778 7.795 457 H VAL 57 H VAL 57 1.765 -6.894 3.173 458 HA VAL 57 HA VAL 57 -0.811 -5.981 4.274 459 HB VAL 57 HB VAL 57 -1.584 -5.456 1.989 460 HG11 VAL 57 1HG1 VAL 57 0.898 -3.877 2.806 461 HG12 VAL 57 2HG1 VAL 57 -0.341 -3.348 1.666 462 HG13 VAL 57 3HG1 VAL 57 -0.768 -3.594 3.357 463 HG21 VAL 57 3HG2 VAL 57 1.323 -5.754 1.218 464 HG22 VAL 57 1HG2 VAL 57 0.040 -6.877 0.718 465 HG23 VAL 57 2HG2 VAL 57 0.030 -5.193 0.158 466 H GLU 58 H GLU 58 -2.672 -7.161 3.146 467 HA GLU 58 HA GLU 58 -2.003 -10.014 2.610 468 HB2 GLU 58 1HB GLU 58 -4.056 -10.610 3.911 469 HB3 GLU 58 2HB GLU 58 -2.788 -9.896 4.919 470 HG2 GLU 58 1HG GLU 58 -3.910 -7.846 5.138 471 HG3 GLU 58 2HG GLU 58 -4.962 -8.117 3.784 472 H GLU 59 H GLU 59 -3.404 -11.140 1.382 473 HA GLU 59 HA GLU 59 -4.776 -9.649 -0.668 474 HB2 GLU 59 1HB GLU 59 -4.210 -12.624 -0.102 475 HB3 GLU 59 2HB GLU 59 -5.432 -12.192 -1.275 476 HG2 GLU 59 1HG GLU 59 -3.548 -10.802 -2.428 477 HG3 GLU 59 2HG GLU 59 -2.500 -11.925 -1.552 478 H VAL 60 H VAL 60 -6.326 -8.624 0.657 479 HA VAL 60 HA VAL 60 -8.647 -10.179 1.527 480 HB VAL 60 HB VAL 60 -8.690 -7.265 0.790 481 HG11 VAL 60 1HG1 VAL 60 -9.834 -8.696 3.237 482 HG12 VAL 60 2HG1 VAL 60 -10.183 -7.055 2.658 483 HG13 VAL 60 3HG1 VAL 60 -10.749 -8.466 1.749 484 HG21 VAL 60 3HG2 VAL 60 -6.696 -7.226 2.045 485 HG22 VAL 60 1HG2 VAL 60 -7.985 -6.757 3.157 486 HG23 VAL 60 2HG2 VAL 60 -7.315 -8.399 3.241 487 H GLY 61 H GLY 61 -10.805 -9.973 0.415 488 HA2 GLY 61 1HA GLY 61 -10.717 -9.276 -2.496 489 HA3 GLY 61 2HA GLY 61 -11.744 -10.509 -1.738 490 H ARG 62 H ARG 62 -11.432 -7.749 0.227 491 HA ARG 62 HA ARG 62 -14.224 -7.195 0.145 492 HB2 ARG 62 1HB ARG 62 -11.827 -5.802 1.404 493 HB3 ARG 62 2HB ARG 62 -13.454 -5.128 1.482 494 HG2 ARG 62 1HG ARG 62 -14.310 -7.091 2.640 495 HG3 ARG 62 2HG ARG 62 -12.774 -7.931 2.499 496 HD2 ARG 62 1HD ARG 62 -13.119 -6.932 4.763 497 HD3 ARG 62 2HD ARG 62 -11.671 -6.299 3.974 498 HE ARG 62 HE ARG 62 -12.580 -4.233 3.831 499 HH11 ARG 62 1HH1 ARG 62 -15.135 -6.457 4.884 500 HH12 ARG 62 2HH1 ARG 62 -16.419 -5.342 4.684 501 HH21 ARG 62 1HH2 ARG 62 -14.332 -2.590 3.827 502 HH22 ARG 62 2HH2 ARG 62 -15.919 -3.107 4.217 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -7.791 -6.494 -15.015 2 HA2 GLY 1 1HA GLY 1 -9.508 -5.540 -13.635 3 HA3 GLY 1 2HA GLY 1 -8.583 -6.725 -12.682 4 H ARG 2 H ARG 2 -9.203 -5.609 -10.758 5 HA ARG 2 HA ARG 2 -7.293 -3.534 -9.971 6 HB2 ARG 2 1HB ARG 2 -10.299 -3.105 -9.952 7 HB3 ARG 2 2HB ARG 2 -9.308 -2.434 -8.664 8 HG2 ARG 2 1HG ARG 2 -7.824 -1.368 -10.442 9 HG3 ARG 2 2HG ARG 2 -9.032 -1.867 -11.636 10 HD2 ARG 2 1HD ARG 2 -10.750 -0.562 -10.298 11 HD3 ARG 2 2HD ARG 2 -9.425 0.023 -9.285 12 HE ARG 2 HE ARG 2 -8.584 1.293 -11.063 13 HH11 ARG 2 1HH1 ARG 2 -11.627 -0.371 -12.096 14 HH12 ARG 2 2HH1 ARG 2 -11.541 0.339 -13.675 15 HH21 ARG 2 1HH2 ARG 2 -8.832 2.452 -13.061 16 HH22 ARG 2 2HH2 ARG 2 -10.156 2.019 -14.123 17 H ARG 3 H ARG 3 -6.278 -4.693 -8.380 18 HA ARG 3 HA ARG 3 -7.838 -6.421 -6.573 19 HB2 ARG 3 1HB ARG 3 -5.112 -6.475 -7.759 20 HB3 ARG 3 2HB ARG 3 -5.054 -6.575 -6.005 21 HG2 ARG 3 1HG ARG 3 -5.062 -8.734 -7.296 22 HG3 ARG 3 2HG ARG 3 -6.108 -8.607 -5.892 23 HD2 ARG 3 1HD ARG 3 -7.264 -7.841 -8.528 24 HD3 ARG 3 2HD ARG 3 -6.872 -9.562 -8.285 25 HE ARG 3 HE ARG 3 -8.219 -8.738 -5.956 26 HH11 ARG 3 1HH1 ARG 3 -8.997 -9.024 -9.407 27 HH12 ARG 3 2HH1 ARG 3 -10.656 -9.450 -9.168 28 HH21 ARG 3 1HH2 ARG 3 -10.349 -9.548 -5.640 29 HH22 ARG 3 2HH2 ARG 3 -11.494 -9.596 -6.941 30 H ARG 4 H ARG 4 -6.816 -6.387 -4.392 31 HA ARG 4 HA ARG 4 -6.327 -3.712 -3.293 32 HB2 ARG 4 1HB ARG 4 -8.990 -5.080 -3.414 33 HB3 ARG 4 2HB ARG 4 -8.529 -4.628 -1.762 34 HG2 ARG 4 1HG ARG 4 -8.096 -2.313 -2.475 35 HG3 ARG 4 2HG ARG 4 -8.359 -2.756 -4.147 36 HD2 ARG 4 1HD ARG 4 -10.178 -1.607 -3.705 37 HD3 ARG 4 2HD ARG 4 -10.781 -3.272 -3.479 38 HE ARG 4 HE ARG 4 -9.858 -1.819 -1.121 39 HH11 ARG 4 1HH1 ARG 4 -12.647 -2.673 -3.045 40 HH12 ARG 4 2HH1 ARG 4 -13.762 -1.506 -2.480 41 HH21 ARG 4 1HH2 ARG 4 -11.474 -0.553 0.198 42 HH22 ARG 4 2HH2 ARG 4 -13.124 -0.566 -0.311 43 H VAL 5 H VAL 5 -5.256 -3.846 -1.327 44 HA VAL 5 HA VAL 5 -5.271 -6.411 0.095 45 HB VAL 5 HB VAL 5 -2.876 -6.425 0.461 46 HG11 VAL 5 1HG1 VAL 5 -3.421 -6.442 -2.523 47 HG12 VAL 5 2HG1 VAL 5 -2.195 -7.359 -1.613 48 HG13 VAL 5 3HG1 VAL 5 -3.893 -7.731 -1.404 49 HG21 VAL 5 3HG2 VAL 5 -1.384 -5.033 -0.990 50 HG22 VAL 5 1HG2 VAL 5 -2.772 -4.024 -1.357 51 HG23 VAL 5 2HG2 VAL 5 -2.235 -4.168 0.310 52 H ARG 6 H ARG 6 -4.457 -6.044 2.454 53 HA ARG 6 HA ARG 6 -5.285 -3.258 3.362 54 HB2 ARG 6 1HB ARG 6 -7.072 -4.996 3.294 55 HB3 ARG 6 2HB ARG 6 -6.173 -5.962 4.450 56 HG2 ARG 6 1HG ARG 6 -6.490 -4.394 6.171 57 HG3 ARG 6 2HG ARG 6 -6.966 -3.110 5.065 58 HD2 ARG 6 1HD ARG 6 -8.614 -5.664 5.247 59 HD3 ARG 6 2HD ARG 6 -8.749 -4.407 6.472 60 HE ARG 6 HE ARG 6 -9.151 -3.504 3.700 61 HH11 ARG 6 1HH1 ARG 6 -10.825 -4.905 6.467 62 HH12 ARG 6 2HH1 ARG 6 -12.258 -3.950 6.311 63 HH21 ARG 6 1HH2 ARG 6 -10.959 -1.959 3.683 64 HH22 ARG 6 2HH2 ARG 6 -12.297 -2.209 4.725 65 H ALA 7 H ALA 7 -3.781 -2.484 5.104 66 HA ALA 7 HA ALA 7 -1.309 -3.867 5.297 67 HB1 ALA 7 1HB ALA 7 -0.818 -2.081 6.966 68 HB2 ALA 7 2HB ALA 7 -1.543 -1.413 5.492 69 HB3 ALA 7 3HB ALA 7 -2.512 -1.606 6.971 70 H ILE 8 H ILE 8 -0.351 -4.908 7.119 71 HA ILE 8 HA ILE 8 -2.047 -5.093 9.531 72 HB ILE 8 HB ILE 8 -1.358 -7.316 10.048 73 HG12 ILE 8 1HG1 ILE 8 0.727 -7.250 8.530 74 HG13 ILE 8 2HG1 ILE 8 -0.119 -8.770 8.828 75 HG21 ILE 8 1HG2 ILE 8 -3.518 -6.952 9.021 76 HG22 ILE 8 2HG2 ILE 8 -2.847 -7.134 7.395 77 HG23 ILE 8 3HG2 ILE 8 -2.841 -8.514 8.517 78 HD11 ILE 8 3HD1 ILE 8 -1.125 -8.740 6.631 79 HD12 ILE 8 1HD1 ILE 8 -0.539 -7.093 6.350 80 HD13 ILE 8 2HD1 ILE 8 0.608 -8.435 6.458 81 H LEU 9 H LEU 9 0.563 -3.570 8.432 82 HA LEU 9 HA LEU 9 1.413 -3.135 11.173 83 HB2 LEU 9 1HB LEU 9 3.281 -4.498 9.235 84 HB3 LEU 9 2HB LEU 9 3.938 -3.284 10.303 85 HG LEU 9 HG LEU 9 2.355 -5.100 11.907 86 HD11 LEU 9 1HD1 LEU 9 2.859 -6.705 10.098 87 HD12 LEU 9 2HD1 LEU 9 3.661 -7.128 11.619 88 HD13 LEU 9 3HD1 LEU 9 4.596 -6.397 10.302 89 HD21 LEU 9 3HD2 LEU 9 4.029 -3.697 12.885 90 HD22 LEU 9 1HD2 LEU 9 5.313 -4.484 11.921 91 HD23 LEU 9 2HD2 LEU 9 4.414 -5.396 13.149 92 HA PRO 10 HA PRO 10 2.077 0.906 9.310 93 HB2 PRO 10 1HB PRO 10 3.274 2.217 11.317 94 HB3 PRO 10 2HB PRO 10 1.697 1.435 11.622 95 HG2 PRO 10 1HG PRO 10 4.403 0.286 12.297 96 HG3 PRO 10 2HG PRO 10 2.953 0.454 13.347 97 HD2 PRO 10 1HD PRO 10 3.537 -1.815 11.960 98 HD3 PRO 10 2HD PRO 10 1.872 -1.309 12.362 99 H TYR 11 H TYR 11 3.908 2.511 8.643 100 HA TYR 11 HA TYR 11 6.621 1.423 8.602 101 HB2 TYR 11 1HB TYR 11 5.416 0.168 6.846 102 HB3 TYR 11 2HB TYR 11 4.899 1.631 6.102 103 HD1 TYR 11 2HD TYR 11 6.672 3.082 4.856 104 HD2 TYR 11 1HD TYR 11 7.466 -0.857 6.417 105 HE1 TYR 11 2HE TYR 11 8.619 2.868 3.319 106 HE2 TYR 11 1HE TYR 11 9.317 -1.112 4.764 107 HH TYR 11 HH TYR 11 10.454 1.362 2.557 108 H THR 12 H THR 12 8.053 2.986 7.346 109 HA THR 12 HA THR 12 7.232 5.809 7.812 110 HB THR 12 HB THR 12 9.900 4.364 8.193 111 HG1 THR 12 1HG THR 12 9.608 4.637 10.304 112 HG21 THR 12 3HG2 THR 12 9.195 7.283 8.730 113 HG22 THR 12 1HG2 THR 12 10.267 6.676 7.443 114 HG23 THR 12 2HG2 THR 12 10.730 6.476 9.130 115 H LYS 13 H LYS 13 7.074 6.765 5.677 116 HA LYS 13 HA LYS 13 8.569 5.628 3.458 117 HB2 LYS 13 1HB LYS 13 7.792 7.496 2.169 118 HB3 LYS 13 2HB LYS 13 6.450 6.889 3.134 119 HG2 LYS 13 1HG LYS 13 6.828 8.738 4.768 120 HG3 LYS 13 2HG LYS 13 8.112 9.369 3.727 121 HD2 LYS 13 1HD LYS 13 5.327 8.952 2.672 122 HD3 LYS 13 2HD LYS 13 5.783 10.417 3.537 123 HE2 LYS 13 1HE LYS 13 7.440 11.003 1.916 124 HE3 LYS 13 2HE LYS 13 7.351 9.426 1.119 125 HZ1 LYS 13 3HZ LYS 13 6.073 11.382 0.090 126 HZ2 LYS 13 1HZ LYS 13 4.944 11.105 1.268 127 HZ3 LYS 13 2HZ LYS 13 5.341 9.923 0.188 128 H VAL 14 H VAL 14 10.487 6.397 2.520 129 HA VAL 14 HA VAL 14 12.327 7.994 4.122 130 HB VAL 14 HB VAL 14 12.394 7.152 1.190 131 HG11 VAL 14 1HG1 VAL 14 14.787 7.387 1.255 132 HG12 VAL 14 2HG1 VAL 14 14.087 8.935 1.715 133 HG13 VAL 14 3HG1 VAL 14 14.761 7.840 2.957 134 HG21 VAL 14 3HG2 VAL 14 13.542 5.768 3.647 135 HG22 VAL 14 1HG2 VAL 14 12.268 5.142 2.587 136 HG23 VAL 14 2HG2 VAL 14 13.902 5.319 1.970 137 HA PRO 15 HA PRO 15 10.866 12.032 2.804 138 HB2 PRO 15 1HB PRO 15 13.226 13.477 3.032 139 HB3 PRO 15 2HB PRO 15 12.216 12.991 4.416 140 HG2 PRO 15 1HG PRO 15 14.683 11.615 3.312 141 HG3 PRO 15 2HG PRO 15 14.273 11.941 5.030 142 HD2 PRO 15 1HD PRO 15 13.854 9.546 4.019 143 HD3 PRO 15 2HD PRO 15 12.656 10.287 5.108 144 H ASP 16 H ASP 16 10.717 13.159 0.912 145 HA ASP 16 HA ASP 16 10.925 13.767 -1.224 146 HB2 ASP 16 1HB ASP 16 13.118 14.656 -0.336 147 HB3 ASP 16 2HB ASP 16 13.901 13.248 -1.065 148 H THR 17 H THR 17 10.366 10.836 -0.667 149 HA THR 17 HA THR 17 11.343 9.772 -3.255 150 HB THR 17 HB THR 17 11.501 7.595 -2.352 151 HG1 THR 17 1HG THR 17 10.936 7.069 -0.321 152 HG21 THR 17 3HG2 THR 17 13.376 7.772 -0.930 153 HG22 THR 17 1HG2 THR 17 12.792 9.286 -0.208 154 HG23 THR 17 2HG2 THR 17 13.400 9.283 -1.863 155 H ASP 18 H ASP 18 10.063 7.759 -3.879 156 HA ASP 18 HA ASP 18 7.414 8.704 -4.563 157 HB2 ASP 18 1HB ASP 18 8.614 6.059 -5.388 158 HB3 ASP 18 2HB ASP 18 7.435 7.045 -6.249 159 H GLU 19 H GLU 19 7.938 7.776 -1.769 160 HA GLU 19 HA GLU 19 6.291 5.304 -1.442 161 HB2 GLU 19 1HB GLU 19 8.347 6.817 0.170 162 HB3 GLU 19 2HB GLU 19 7.376 5.546 0.894 163 HG2 GLU 19 1HG GLU 19 8.374 3.840 -0.382 164 HG3 GLU 19 2HG GLU 19 9.041 4.984 -1.579 165 H ILE 20 H ILE 20 5.086 5.431 0.934 166 HA ILE 20 HA ILE 20 3.801 8.029 1.421 167 HB ILE 20 HB ILE 20 1.566 6.889 1.277 168 HG12 ILE 20 1HG1 ILE 20 2.812 5.017 -0.789 169 HG13 ILE 20 2HG1 ILE 20 2.577 4.489 0.867 170 HG21 ILE 20 1HG2 ILE 20 3.071 7.375 -1.324 171 HG22 ILE 20 2HG2 ILE 20 1.330 7.465 -1.108 172 HG23 ILE 20 3HG2 ILE 20 2.372 8.630 -0.286 173 HD11 ILE 20 3HD1 ILE 20 0.318 5.496 -0.894 174 HD12 ILE 20 1HD1 ILE 20 0.702 3.796 -0.539 175 HD13 ILE 20 2HD1 ILE 20 0.192 4.882 0.767 176 H SER 21 H SER 21 3.667 8.255 3.656 177 HA SER 21 HA SER 21 4.279 5.951 5.321 178 HB2 SER 21 1HB SER 21 3.566 7.959 7.075 179 HB3 SER 21 2HB SER 21 5.161 7.506 6.529 180 HG SER 21 HG SER 21 3.469 9.585 5.572 181 H PHE 22 H PHE 22 2.906 4.795 6.681 182 HA PHE 22 HA PHE 22 0.201 5.761 7.270 183 HB2 PHE 22 1HB PHE 22 -0.905 3.674 6.340 184 HB3 PHE 22 2HB PHE 22 -0.366 4.848 5.159 185 HD1 PHE 22 2HD PHE 22 0.817 1.686 6.899 186 HD2 PHE 22 1HD PHE 22 0.938 4.157 3.343 187 HE1 PHE 22 2HE PHE 22 2.336 0.077 5.815 188 HE2 PHE 22 1HE PHE 22 2.434 2.530 2.280 189 HZ PHE 22 HZ PHE 22 3.148 0.487 3.503 190 H LEU 23 H LEU 23 -1.072 4.092 8.513 191 HA LEU 23 HA LEU 23 0.749 2.811 10.461 192 HB2 LEU 23 1HB LEU 23 -1.971 4.114 10.831 193 HB3 LEU 23 2HB LEU 23 -1.202 3.118 12.045 194 HG LEU 23 HG LEU 23 -0.883 5.348 12.629 195 HD11 LEU 23 1HD1 LEU 23 1.501 5.494 12.959 196 HD12 LEU 23 2HD1 LEU 23 1.824 4.431 11.588 197 HD13 LEU 23 3HD1 LEU 23 1.032 3.790 13.047 198 HD21 LEU 23 3HD2 LEU 23 0.120 7.104 11.431 199 HD22 LEU 23 1HD2 LEU 23 -1.094 6.391 10.353 200 HD23 LEU 23 2HD2 LEU 23 0.639 6.047 10.120 201 H LYS 24 H LYS 24 -0.395 0.909 11.675 202 HA LYS 24 HA LYS 24 -1.478 -0.991 9.771 203 HB2 LYS 24 1HB LYS 24 -0.250 -1.658 11.826 204 HB3 LYS 24 2HB LYS 24 -1.555 -1.002 12.826 205 HG2 LYS 24 1HG LYS 24 -3.136 -2.640 11.876 206 HG3 LYS 24 2HG LYS 24 -1.883 -3.228 10.772 207 HD2 LYS 24 1HD LYS 24 -0.480 -3.794 12.843 208 HD3 LYS 24 2HD LYS 24 -1.886 -3.364 13.813 209 HE2 LYS 24 1HE LYS 24 -2.703 -5.256 11.769 210 HE3 LYS 24 2HE LYS 24 -1.231 -5.856 12.558 211 HZ1 LYS 24 3HZ LYS 24 -2.365 -5.618 14.684 212 HZ2 LYS 24 1HZ LYS 24 -3.246 -6.585 13.663 213 HZ3 LYS 24 2HZ LYS 24 -3.713 -5.060 13.920 214 H GLY 25 H GLY 25 -3.550 -0.916 8.960 215 HA2 GLY 25 1HA GLY 25 -5.860 -1.059 9.748 216 HA3 GLY 25 2HA GLY 25 -5.651 0.574 10.399 217 H ASP 26 H ASP 26 -3.815 0.976 7.790 218 HA ASP 26 HA ASP 26 -5.988 1.911 6.054 219 HB2 ASP 26 1HB ASP 26 -2.953 2.117 6.084 220 HB3 ASP 26 2HB ASP 26 -3.837 2.484 4.619 221 H MET 27 H MET 27 -6.042 1.293 3.649 222 HA MET 27 HA MET 27 -4.975 -1.313 3.004 223 HB2 MET 27 1HB MET 27 -6.971 -2.141 2.498 224 HB3 MET 27 2HB MET 27 -7.434 -1.267 3.943 225 HG2 MET 27 1HG MET 27 -7.998 0.576 2.517 226 HG3 MET 27 2HG MET 27 -7.836 -0.397 1.055 227 HE1 MET 27 3HE MET 27 -9.638 -2.394 0.372 228 HE2 MET 27 1HE MET 27 -8.932 -3.104 1.839 229 HE3 MET 27 2HE MET 27 -10.711 -3.074 1.596 230 H PHE 28 H PHE 28 -4.913 -1.562 0.679 231 HA PHE 28 HA PHE 28 -4.624 1.024 -0.766 232 HB2 PHE 28 1HB PHE 28 -2.774 -1.368 -0.986 233 HB3 PHE 28 2HB PHE 28 -2.531 0.269 -1.560 234 HD1 PHE 28 2HD PHE 28 -2.804 2.113 0.515 235 HD2 PHE 28 1HD PHE 28 -1.500 -1.978 0.830 236 HE1 PHE 28 2HE PHE 28 -1.647 2.644 2.650 237 HE2 PHE 28 1HE PHE 28 -0.324 -1.433 2.964 238 HZ PHE 28 HZ PHE 28 -0.374 0.837 3.841 239 H ILE 29 H ILE 29 -4.535 0.814 -3.086 240 HA ILE 29 HA ILE 29 -6.159 -1.454 -4.138 241 HB ILE 29 HB ILE 29 -7.136 0.238 -5.616 242 HG12 ILE 29 1HG1 ILE 29 -5.815 2.426 -3.958 243 HG13 ILE 29 2HG1 ILE 29 -5.260 1.962 -5.579 244 HG21 ILE 29 1HG2 ILE 29 -7.394 1.149 -2.719 245 HG22 ILE 29 2HG2 ILE 29 -8.641 1.160 -3.982 246 HG23 ILE 29 3HG2 ILE 29 -8.092 -0.359 -3.335 247 HD11 ILE 29 3HD1 ILE 29 -7.380 2.473 -6.548 248 HD12 ILE 29 1HD1 ILE 29 -8.052 2.974 -4.975 249 HD13 ILE 29 2HD1 ILE 29 -6.729 3.890 -5.714 250 H VAL 30 H VAL 30 -5.135 -2.682 -5.699 251 HA VAL 30 HA VAL 30 -2.527 -2.071 -6.574 252 HB VAL 30 HB VAL 30 -4.580 -4.001 -7.791 253 HG11 VAL 30 1HG1 VAL 30 -1.576 -3.796 -8.352 254 HG12 VAL 30 2HG1 VAL 30 -2.685 -5.045 -8.951 255 HG13 VAL 30 3HG1 VAL 30 -2.861 -3.382 -9.503 256 HG21 VAL 30 3HG2 VAL 30 -2.158 -4.424 -5.986 257 HG22 VAL 30 1HG2 VAL 30 -3.853 -4.651 -5.506 258 HG23 VAL 30 2HG2 VAL 30 -3.102 -5.708 -6.717 259 H HIS 31 H HIS 31 -1.822 -0.549 -7.923 260 HA HIS 31 HA HIS 31 -3.530 0.262 -10.210 261 HB2 HIS 31 1HB HIS 31 -2.094 1.904 -8.166 262 HB3 HIS 31 2HB HIS 31 -2.059 2.477 -9.815 263 HD1 HIS 31 1HD HIS 31 -4.956 1.920 -10.836 264 HD2 HIS 31 2HD HIS 31 -3.788 3.514 -7.135 265 HE1 HIS 31 1HE HIS 31 -6.894 3.390 -10.020 266 H ASN 32 H ASN 32 -0.278 -0.720 -9.152 267 HA ASN 32 HA ASN 32 0.035 -1.659 -11.814 268 HB2 ASN 32 1HB ASN 32 1.090 0.643 -12.034 269 HB3 ASN 32 2HB ASN 32 2.317 0.124 -10.868 270 HD21 ASN 32 1HD2 ASN 32 3.943 0.527 -12.609 271 HD22 ASN 32 2HD2 ASN 32 4.202 -0.786 -13.710 272 H GLU 33 H GLU 33 1.947 -2.986 -11.998 273 HA GLU 33 HA GLU 33 2.708 -4.454 -9.513 274 HB2 GLU 33 1HB GLU 33 1.910 -5.469 -12.274 275 HB3 GLU 33 2HB GLU 33 2.703 -6.479 -11.058 276 HG2 GLU 33 1HG GLU 33 0.892 -6.415 -9.583 277 HG3 GLU 33 2HG GLU 33 0.211 -4.963 -10.284 278 H LEU 34 H LEU 34 4.796 -4.392 -9.271 279 HA LEU 34 HA LEU 34 6.620 -3.770 -11.579 280 HB2 LEU 34 1HB LEU 34 6.958 -3.368 -8.592 281 HB3 LEU 34 2HB LEU 34 8.156 -2.932 -9.778 282 HG LEU 34 HG LEU 34 5.425 -1.700 -10.161 283 HD11 LEU 34 1HD1 LEU 34 5.875 0.055 -8.493 284 HD12 LEU 34 2HD1 LEU 34 7.256 -0.908 -7.870 285 HD13 LEU 34 3HD1 LEU 34 5.599 -1.520 -7.761 286 HD21 LEU 34 3HD2 LEU 34 7.228 -1.111 -11.649 287 HD22 LEU 34 1HD2 LEU 34 8.282 -0.673 -10.276 288 HD23 LEU 34 2HD2 LEU 34 6.832 0.296 -10.637 289 H GLU 35 H GLU 35 9.038 -4.640 -10.501 290 HA GLU 35 HA GLU 35 8.712 -7.472 -9.645 291 HB2 GLU 35 1HB GLU 35 10.611 -6.393 -11.750 292 HB3 GLU 35 2HB GLU 35 10.762 -7.983 -11.009 293 HG2 GLU 35 1HG GLU 35 8.940 -8.869 -12.151 294 HG3 GLU 35 2HG GLU 35 8.184 -7.283 -12.387 295 H ASP 36 H ASP 36 9.140 -6.848 -7.630 296 HA ASP 36 HA ASP 36 11.630 -7.166 -6.668 297 HB2 ASP 36 1HB ASP 36 11.853 -4.559 -7.563 298 HB3 ASP 36 2HB ASP 36 11.329 -4.276 -5.959 299 H GLY 37 H GLY 37 8.570 -7.425 -6.153 300 HA2 GLY 37 1HA GLY 37 7.352 -7.966 -4.316 301 HA3 GLY 37 2HA GLY 37 8.604 -7.413 -3.243 302 H TRP 38 H TRP 38 8.054 -4.954 -5.416 303 HA TRP 38 HA TRP 38 6.442 -3.355 -3.493 304 HB2 TRP 38 1HB TRP 38 8.380 -2.606 -5.723 305 HB3 TRP 38 2HB TRP 38 7.334 -1.443 -4.934 306 HD1 TRP 38 HD TRP 38 10.531 -3.459 -4.256 307 HE1 TRP 38 1HE TRP 38 11.514 -2.841 -2.019 308 HE3 TRP 38 3HE TRP 38 6.729 -0.548 -2.634 309 HZ2 TRP 38 2HZ TRP 38 10.509 -1.557 0.443 310 HZ3 TRP 38 3HZ TRP 38 6.611 0.133 -0.249 311 HH2 TRP 38 HH TRP 38 8.447 -0.515 1.297 312 H MET 39 H MET 39 4.634 -2.107 -4.303 313 HA MET 39 HA MET 39 3.719 -2.575 -7.096 314 HB2 MET 39 1HB MET 39 2.145 -3.079 -4.548 315 HB3 MET 39 2HB MET 39 1.410 -2.951 -6.152 316 HG2 MET 39 1HG MET 39 2.543 -4.885 -6.970 317 HG3 MET 39 2HG MET 39 3.608 -4.970 -5.569 318 HE1 MET 39 3HE MET 39 1.587 -6.390 -2.708 319 HE2 MET 39 1HE MET 39 3.186 -5.936 -3.352 320 HE3 MET 39 2HE MET 39 1.979 -4.690 -2.997 321 H TRP 40 H TRP 40 2.548 -0.899 -7.906 322 HA TRP 40 HA TRP 40 2.598 1.639 -6.348 323 HB2 TRP 40 1HB TRP 40 3.211 1.508 -8.840 324 HB3 TRP 40 2HB TRP 40 1.481 1.292 -9.137 325 HD1 TRP 40 HD TRP 40 -0.111 3.407 -8.602 326 HE1 TRP 40 1HE TRP 40 0.359 5.907 -8.365 327 HE3 TRP 40 3HE TRP 40 4.908 3.168 -7.922 328 HZ2 TRP 40 2HZ TRP 40 2.673 7.619 -7.884 329 HZ3 TRP 40 3HZ TRP 40 6.245 5.257 -7.468 330 HH2 TRP 40 HH TRP 40 5.113 7.456 -7.435 331 H VAL 41 H VAL 41 0.761 2.571 -5.490 332 HA VAL 41 HA VAL 41 -1.844 1.311 -5.994 333 HB VAL 41 HB VAL 41 -2.278 0.943 -3.634 334 HG11 VAL 41 1HG1 VAL 41 -1.294 -0.915 -4.998 335 HG12 VAL 41 2HG1 VAL 41 0.296 -0.509 -4.320 336 HG13 VAL 41 3HG1 VAL 41 -1.024 -1.047 -3.264 337 HG21 VAL 41 3HG2 VAL 41 -0.921 2.564 -2.523 338 HG22 VAL 41 1HG2 VAL 41 -0.466 0.989 -1.949 339 HG23 VAL 41 2HG2 VAL 41 0.584 1.805 -3.122 340 H THR 42 H THR 42 -3.232 2.552 -3.912 341 HA THR 42 HA THR 42 -2.343 5.261 -3.610 342 HB THR 42 HB THR 42 -5.252 4.695 -4.357 343 HG1 THR 42 1HG THR 42 -3.082 5.174 -5.832 344 HG21 THR 42 3HG2 THR 42 -3.823 7.286 -3.682 345 HG22 THR 42 1HG2 THR 42 -5.258 6.603 -2.901 346 HG23 THR 42 2HG2 THR 42 -5.347 7.233 -4.554 347 H ASN 43 H ASN 43 -3.173 6.048 -1.547 348 HA ASN 43 HA ASN 43 -4.174 3.942 0.315 349 HB2 ASN 43 1HB ASN 43 -2.017 5.144 0.828 350 HB3 ASN 43 2HB ASN 43 -2.937 6.637 0.960 351 HD21 ASN 43 1HD2 ASN 43 -1.601 5.817 3.305 352 HD22 ASN 43 2HD2 ASN 43 -2.810 5.185 4.442 353 H LEU 44 H LEU 44 -6.260 4.007 0.670 354 HA LEU 44 HA LEU 44 -8.011 6.124 -0.189 355 HB2 LEU 44 1HB LEU 44 -8.656 3.827 1.699 356 HB3 LEU 44 2HB LEU 44 -9.777 4.765 0.719 357 HG LEU 44 HG LEU 44 -7.695 2.787 -0.301 358 HD11 LEU 44 1HD1 LEU 44 -9.704 1.776 0.709 359 HD12 LEU 44 2HD1 LEU 44 -9.624 1.484 -1.045 360 HD13 LEU 44 3HD1 LEU 44 -10.728 2.718 -0.393 361 HD21 LEU 44 3HD2 LEU 44 -8.678 3.168 -2.555 362 HD22 LEU 44 1HD2 LEU 44 -7.857 4.594 -1.945 363 HD23 LEU 44 2HD2 LEU 44 -9.631 4.521 -1.896 364 H ARG 45 H ARG 45 -6.044 6.084 2.533 365 HA ARG 45 HA ARG 45 -7.860 7.334 4.427 366 HB2 ARG 45 1HB ARG 45 -5.813 6.105 5.075 367 HB3 ARG 45 2HB ARG 45 -4.832 7.363 4.328 368 HG2 ARG 45 1HG ARG 45 -5.730 9.019 5.893 369 HG3 ARG 45 2HG ARG 45 -6.800 7.815 6.595 370 HD2 ARG 45 1HD ARG 45 -4.802 8.289 7.999 371 HD3 ARG 45 2HD ARG 45 -4.970 6.593 7.540 372 HE ARG 45 HE ARG 45 -3.075 6.621 6.424 373 HH11 ARG 45 1HH1 ARG 45 -3.944 10.082 6.909 374 HH12 ARG 45 2HH1 ARG 45 -2.486 10.677 6.164 375 HH21 ARG 45 1HH2 ARG 45 -1.011 7.535 5.643 376 HH22 ARG 45 2HH2 ARG 45 -0.754 9.236 5.678 377 H THR 46 H THR 46 -5.403 8.686 2.090 378 HA THR 46 HA THR 46 -6.931 11.232 2.242 379 HB THR 46 HB THR 46 -4.892 12.536 2.386 380 HG1 THR 46 1HG THR 46 -3.579 10.045 2.808 381 HG21 THR 46 3HG2 THR 46 -4.915 10.617 4.697 382 HG22 THR 46 1HG2 THR 46 -6.059 11.972 4.504 383 HG23 THR 46 2HG2 THR 46 -4.318 12.287 4.679 384 H ASP 47 H ASP 47 -5.939 8.883 0.177 385 HA ASP 47 HA ASP 47 -5.870 8.744 -2.041 386 HB2 ASP 47 1HB ASP 47 -7.287 11.012 -1.910 387 HB3 ASP 47 2HB ASP 47 -5.831 11.686 -2.636 388 H GLU 48 H GLU 48 -3.573 9.291 -0.141 389 HA GLU 48 HA GLU 48 -1.377 10.464 -1.559 390 HB2 GLU 48 1HB GLU 48 -1.749 8.648 0.808 391 HB3 GLU 48 2HB GLU 48 -0.156 8.649 0.054 392 HG2 GLU 48 1HG GLU 48 0.040 11.064 0.269 393 HG3 GLU 48 2HG GLU 48 -1.583 11.151 0.921 394 H GLN 49 H GLN 49 0.247 9.480 -2.881 395 HA GLN 49 HA GLN 49 -0.370 6.771 -3.835 396 HB2 GLN 49 1HB GLN 49 0.004 9.311 -5.493 397 HB3 GLN 49 2HB GLN 49 0.082 7.702 -6.204 398 HG2 GLN 49 1HG GLN 49 -2.187 7.221 -5.695 399 HG3 GLN 49 2HG GLN 49 -2.342 8.616 -4.631 400 HE21 GLN 49 1HE2 GLN 49 -4.173 8.087 -6.762 401 HE22 GLN 49 2HE2 GLN 49 -4.021 9.499 -7.812 402 H GLY 50 H GLY 50 1.423 5.808 -4.958 403 HA2 GLY 50 1HA GLY 50 4.072 6.193 -5.148 404 HA3 GLY 50 2HA GLY 50 3.829 6.451 -3.421 405 H LEU 51 H LEU 51 5.209 4.579 -3.167 406 HA LEU 51 HA LEU 51 4.281 1.976 -4.124 407 HB2 LEU 51 1HB LEU 51 6.850 3.171 -2.962 408 HB3 LEU 51 2HB LEU 51 6.719 1.481 -3.345 409 HG LEU 51 HG LEU 51 6.295 3.709 -5.375 410 HD11 LEU 51 1HD1 LEU 51 8.448 3.001 -6.305 411 HD12 LEU 51 2HD1 LEU 51 8.664 1.841 -4.973 412 HD13 LEU 51 3HD1 LEU 51 8.633 3.594 -4.646 413 HD21 LEU 51 3HD2 LEU 51 6.516 1.779 -6.994 414 HD22 LEU 51 1HD2 LEU 51 5.042 1.745 -6.024 415 HD23 LEU 51 2HD2 LEU 51 6.396 0.676 -5.604 416 H ILE 52 H ILE 52 3.971 0.115 -2.957 417 HA ILE 52 HA ILE 52 4.491 0.018 -0.054 418 HB ILE 52 HB ILE 52 2.374 -1.055 0.428 419 HG12 ILE 52 1HG1 ILE 52 0.618 -0.779 -1.584 420 HG13 ILE 52 2HG1 ILE 52 2.091 -1.128 -2.518 421 HG21 ILE 52 1HG2 ILE 52 1.781 1.452 -1.126 422 HG22 ILE 52 2HG2 ILE 52 0.884 0.775 0.259 423 HG23 ILE 52 3HG2 ILE 52 2.533 1.409 0.474 424 HD11 ILE 52 3HD1 ILE 52 2.324 -3.243 -1.296 425 HD12 ILE 52 1HD1 ILE 52 0.990 -2.788 -0.207 426 HD13 ILE 52 2HD1 ILE 52 0.664 -3.126 -1.911 427 H VAL 53 H VAL 53 4.828 -2.173 0.623 428 HA VAL 53 HA VAL 53 5.638 -4.088 -1.451 429 HB VAL 53 HB VAL 53 6.503 -5.263 0.885 430 HG11 VAL 53 1HG1 VAL 53 7.971 -3.507 -1.012 431 HG12 VAL 53 2HG1 VAL 53 8.822 -4.222 0.379 432 HG13 VAL 53 3HG1 VAL 53 7.992 -5.254 -0.794 433 HG21 VAL 53 3HG2 VAL 53 5.743 -3.430 2.211 434 HG22 VAL 53 1HG2 VAL 53 7.488 -3.813 2.441 435 HG23 VAL 53 2HG2 VAL 53 6.994 -2.407 1.475 436 H GLU 54 H GLU 54 4.998 -6.158 -1.490 437 HA GLU 54 HA GLU 54 2.393 -6.878 -0.532 438 HB2 GLU 54 1HB GLU 54 2.753 -9.052 -1.190 439 HB3 GLU 54 2HB GLU 54 3.456 -7.948 -2.378 440 HG2 GLU 54 1HG GLU 54 4.804 -9.655 -2.272 441 HG3 GLU 54 2HG GLU 54 5.707 -8.408 -1.429 442 H ASP 55 H ASP 55 5.475 -6.725 0.964 443 HA ASP 55 HA ASP 55 5.431 -8.880 2.581 444 HB2 ASP 55 1HB ASP 55 7.422 -7.577 2.159 445 HB3 ASP 55 2HB ASP 55 6.840 -6.306 3.243 446 H LEU 56 H LEU 56 3.706 -5.957 2.988 447 HA LEU 56 HA LEU 56 3.461 -6.146 5.960 448 HB2 LEU 56 1HB LEU 56 3.388 -3.704 4.134 449 HB3 LEU 56 2HB LEU 56 3.457 -3.730 5.901 450 HG LEU 56 HG LEU 56 5.637 -4.669 4.024 451 HD11 LEU 56 1HD1 LEU 56 5.345 -2.199 4.104 452 HD12 LEU 56 2HD1 LEU 56 6.899 -2.743 4.759 453 HD13 LEU 56 3HD1 LEU 56 5.584 -2.219 5.826 454 HD21 LEU 56 3HD2 LEU 56 5.690 -5.977 6.058 455 HD22 LEU 56 1HD2 LEU 56 5.555 -4.523 7.046 456 HD23 LEU 56 2HD2 LEU 56 7.027 -4.834 6.087 457 H VAL 57 H VAL 57 1.588 -7.028 3.470 458 HA VAL 57 HA VAL 57 -0.924 -5.882 4.520 459 HB VAL 57 HB VAL 57 -1.597 -5.702 2.112 460 HG11 VAL 57 1HG1 VAL 57 0.688 -3.928 3.047 461 HG12 VAL 57 2HG1 VAL 57 -0.232 -3.658 1.576 462 HG13 VAL 57 3HG1 VAL 57 -1.069 -3.639 3.137 463 HG21 VAL 57 3HG2 VAL 57 0.215 -7.220 1.216 464 HG22 VAL 57 1HG2 VAL 57 0.066 -5.693 0.349 465 HG23 VAL 57 2HG2 VAL 57 1.379 -5.911 1.486 466 H GLU 58 H GLU 58 -2.815 -7.155 3.864 467 HA GLU 58 HA GLU 58 -2.248 -10.022 3.293 468 HB2 GLU 58 1HB GLU 58 -4.308 -10.560 4.411 469 HB3 GLU 58 2HB GLU 58 -3.290 -9.659 5.520 470 HG2 GLU 58 1HG GLU 58 -4.866 -8.126 5.838 471 HG3 GLU 58 2HG GLU 58 -4.946 -7.735 4.157 472 H GLU 59 H GLU 59 -3.706 -11.036 1.910 473 HA GLU 59 HA GLU 59 -4.479 -9.358 -0.339 474 HB2 GLU 59 1HB GLU 59 -4.769 -11.425 -1.588 475 HB3 GLU 59 2HB GLU 59 -3.178 -11.134 -0.917 476 HG2 GLU 59 1HG GLU 59 -3.371 -13.304 -0.495 477 HG3 GLU 59 2HG GLU 59 -3.892 -12.655 1.046 478 H VAL 60 H VAL 60 -6.040 -8.399 1.281 479 HA VAL 60 HA VAL 60 -8.410 -9.757 1.881 480 HB VAL 60 HB VAL 60 -7.430 -7.478 2.697 481 HG11 VAL 60 1HG1 VAL 60 -9.256 -6.416 0.506 482 HG12 VAL 60 2HG1 VAL 60 -8.491 -5.456 1.766 483 HG13 VAL 60 3HG1 VAL 60 -7.496 -6.294 0.554 484 HG21 VAL 60 3HG2 VAL 60 -10.411 -7.951 2.435 485 HG22 VAL 60 1HG2 VAL 60 -9.331 -8.577 3.666 486 HG23 VAL 60 2HG2 VAL 60 -9.622 -6.837 3.585 487 H GLY 61 H GLY 61 -10.593 -9.326 1.013 488 HA2 GLY 61 1HA GLY 61 -10.717 -9.416 -1.899 489 HA3 GLY 61 2HA GLY 61 -12.075 -9.540 -0.777 490 H ARG 62 H ARG 62 -13.354 -7.737 -0.510 491 HA ARG 62 HA ARG 62 -14.317 -5.853 -0.930 492 HB2 ARG 62 1HB ARG 62 -11.546 -4.737 -0.362 493 HB3 ARG 62 2HB ARG 62 -13.043 -3.804 -0.618 494 HG2 ARG 62 1HG ARG 62 -12.965 -3.865 1.678 495 HG3 ARG 62 2HG ARG 62 -14.006 -5.235 1.307 496 HD2 ARG 62 1HD ARG 62 -11.728 -6.603 1.354 497 HD3 ARG 62 2HD ARG 62 -11.093 -5.191 2.177 498 HE ARG 62 HE ARG 62 -11.974 -6.077 4.084 499 HH11 ARG 62 1HH1 ARG 62 -14.130 -7.203 1.457 500 HH12 ARG 62 2HH1 ARG 62 -15.045 -8.175 2.564 501 HH21 ARG 62 1HH2 ARG 62 -13.065 -7.459 5.364 502 HH22 ARG 62 2HH2 ARG 62 -14.501 -8.274 4.845 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -9.170 -7.861 -12.608 2 HA2 GLY 1 1HA GLY 1 -7.665 -6.315 -11.422 3 HA3 GLY 1 2HA GLY 1 -8.743 -5.005 -11.932 4 H ARG 2 H ARG 2 -9.786 -4.325 -10.116 5 HA ARG 2 HA ARG 2 -10.940 -4.283 -8.185 6 HB2 ARG 2 1HB ARG 2 -12.116 -6.966 -8.994 7 HB3 ARG 2 2HB ARG 2 -12.735 -5.849 -7.775 8 HG2 ARG 2 1HG ARG 2 -13.139 -4.130 -9.522 9 HG3 ARG 2 2HG ARG 2 -12.455 -5.208 -10.753 10 HD2 ARG 2 1HD ARG 2 -14.764 -5.484 -10.963 11 HD3 ARG 2 2HD ARG 2 -14.182 -6.923 -10.151 12 HE ARG 2 HE ARG 2 -15.451 -6.418 -8.345 13 HH11 ARG 2 1HH1 ARG 2 -15.253 -3.484 -10.367 14 HH12 ARG 2 2HH1 ARG 2 -16.367 -2.596 -9.373 15 HH21 ARG 2 1HH2 ARG 2 -17.109 -5.232 -7.165 16 HH22 ARG 2 2HH2 ARG 2 -17.797 -3.851 -7.955 17 H ARG 3 H ARG 3 -8.477 -4.664 -7.825 18 HA ARG 3 HA ARG 3 -8.011 -7.053 -6.115 19 HB2 ARG 3 1HB ARG 3 -6.886 -7.180 -8.294 20 HB3 ARG 3 2HB ARG 3 -6.317 -5.528 -8.127 21 HG2 ARG 3 1HG ARG 3 -4.430 -6.761 -7.623 22 HG3 ARG 3 2HG ARG 3 -5.037 -6.373 -6.002 23 HD2 ARG 3 1HD ARG 3 -5.853 -8.851 -7.349 24 HD3 ARG 3 2HD ARG 3 -4.240 -8.760 -6.612 25 HE ARG 3 HE ARG 3 -6.119 -7.933 -4.649 26 HH11 ARG 3 1HH1 ARG 3 -4.930 -10.842 -6.361 27 HH12 ARG 3 2HH1 ARG 3 -5.174 -11.871 -4.981 28 HH21 ARG 3 1HH2 ARG 3 -6.732 -9.424 -2.971 29 HH22 ARG 3 2HH2 ARG 3 -6.129 -11.088 -3.119 30 H ARG 4 H ARG 4 -7.584 -6.411 -3.983 31 HA ARG 4 HA ARG 4 -6.291 -3.783 -3.570 32 HB2 ARG 4 1HB ARG 4 -8.664 -5.069 -2.144 33 HB3 ARG 4 2HB ARG 4 -7.819 -3.595 -1.628 34 HG2 ARG 4 1HG ARG 4 -8.323 -2.812 -4.127 35 HG3 ARG 4 2HG ARG 4 -9.590 -4.029 -4.061 36 HD2 ARG 4 1HD ARG 4 -9.270 -1.999 -1.892 37 HD3 ARG 4 2HD ARG 4 -9.962 -1.485 -3.447 38 HE ARG 4 HE ARG 4 -11.474 -3.668 -2.760 39 HH11 ARG 4 1HH1 ARG 4 -10.781 -0.562 -1.211 40 HH12 ARG 4 2HH1 ARG 4 -12.453 -0.154 -0.943 41 HH21 ARG 4 1HH2 ARG 4 -13.678 -3.219 -2.297 42 HH22 ARG 4 2HH2 ARG 4 -14.147 -1.735 -1.545 43 H VAL 5 H VAL 5 -5.384 -3.620 -1.325 44 HA VAL 5 HA VAL 5 -4.764 -6.156 -0.036 45 HB VAL 5 HB VAL 5 -2.391 -5.576 0.216 46 HG11 VAL 5 1HG1 VAL 5 -1.588 -6.366 -1.904 47 HG12 VAL 5 2HG1 VAL 5 -3.077 -7.220 -1.496 48 HG13 VAL 5 3HG1 VAL 5 -3.097 -5.918 -2.718 49 HG21 VAL 5 3HG2 VAL 5 -2.815 -3.506 -1.975 50 HG22 VAL 5 1HG2 VAL 5 -2.453 -3.160 -0.263 51 HG23 VAL 5 2HG2 VAL 5 -1.275 -4.000 -1.260 52 H ARG 6 H ARG 6 -3.957 -5.706 2.199 53 HA ARG 6 HA ARG 6 -4.757 -3.008 3.222 54 HB2 ARG 6 1HB ARG 6 -6.734 -4.576 3.143 55 HB3 ARG 6 2HB ARG 6 -5.845 -5.683 4.171 56 HG2 ARG 6 1HG ARG 6 -5.858 -4.082 6.012 57 HG3 ARG 6 2HG ARG 6 -6.702 -2.892 5.013 58 HD2 ARG 6 1HD ARG 6 -7.832 -5.691 5.544 59 HD3 ARG 6 2HD ARG 6 -8.088 -4.338 6.643 60 HE ARG 6 HE ARG 6 -8.880 -3.859 3.829 61 HH11 ARG 6 1HH1 ARG 6 -10.194 -5.258 6.815 62 HH12 ARG 6 2HH1 ARG 6 -11.603 -4.254 6.820 63 HH21 ARG 6 1HH2 ARG 6 -10.836 -2.633 3.773 64 HH22 ARG 6 2HH2 ARG 6 -12.040 -2.865 4.977 65 H ALA 7 H ALA 7 -3.380 -2.285 4.864 66 HA ALA 7 HA ALA 7 -0.931 -3.822 5.290 67 HB1 ALA 7 1HB ALA 7 -1.951 -1.145 6.334 68 HB2 ALA 7 2HB ALA 7 -0.438 -1.883 6.888 69 HB3 ALA 7 3HB ALA 7 -0.608 -1.459 5.197 70 H ILE 8 H ILE 8 -0.677 -5.364 6.799 71 HA ILE 8 HA ILE 8 -2.485 -5.306 9.167 72 HB ILE 8 HB ILE 8 -1.957 -7.529 9.632 73 HG12 ILE 8 1HG1 ILE 8 0.466 -7.415 8.597 74 HG13 ILE 8 2HG1 ILE 8 -0.420 -8.919 8.771 75 HG21 ILE 8 1HG2 ILE 8 -3.802 -7.069 8.150 76 HG22 ILE 8 2HG2 ILE 8 -2.771 -7.190 6.717 77 HG23 ILE 8 3HG2 ILE 8 -3.069 -8.609 7.730 78 HD11 ILE 8 3HD1 ILE 8 0.775 -8.597 6.563 79 HD12 ILE 8 1HD1 ILE 8 -0.939 -9.034 6.451 80 HD13 ILE 8 2HD1 ILE 8 -0.441 -7.358 6.192 81 H LEU 9 H LEU 9 0.514 -4.055 8.387 82 HA LEU 9 HA LEU 9 1.103 -3.493 11.192 83 HB2 LEU 9 1HB LEU 9 2.789 -5.228 9.376 84 HB3 LEU 9 2HB LEU 9 3.649 -4.104 10.396 85 HG LEU 9 HG LEU 9 1.645 -5.749 11.870 86 HD11 LEU 9 1HD1 LEU 9 2.435 -7.417 10.230 87 HD12 LEU 9 2HD1 LEU 9 2.948 -7.795 11.876 88 HD13 LEU 9 3HD1 LEU 9 4.109 -7.095 10.711 89 HD21 LEU 9 3HD2 LEU 9 3.426 -5.967 13.485 90 HD22 LEU 9 1HD2 LEU 9 3.179 -4.283 13.049 91 HD23 LEU 9 2HD2 LEU 9 4.572 -5.168 12.373 92 HA PRO 10 HA PRO 10 2.216 0.249 9.130 93 HB2 PRO 10 1HB PRO 10 3.777 1.512 10.969 94 HB3 PRO 10 2HB PRO 10 2.077 1.103 11.330 95 HG2 PRO 10 1HG PRO 10 4.536 -0.423 12.169 96 HG3 PRO 10 2HG PRO 10 3.086 0.015 13.142 97 HD2 PRO 10 1HD PRO 10 3.445 -2.416 11.941 98 HD3 PRO 10 2HD PRO 10 1.846 -1.703 12.300 99 H TYR 11 H TYR 11 4.044 1.493 8.148 100 HA TYR 11 HA TYR 11 6.687 0.266 8.109 101 HB2 TYR 11 1HB TYR 11 5.335 -0.850 6.280 102 HB3 TYR 11 2HB TYR 11 5.069 0.709 5.564 103 HD1 TYR 11 2HD TYR 11 7.715 -1.825 6.388 104 HD2 TYR 11 1HD TYR 11 6.774 1.760 4.181 105 HE1 TYR 11 2HE TYR 11 9.775 -2.106 5.048 106 HE2 TYR 11 1HE TYR 11 8.865 1.493 2.887 107 HH TYR 11 HH TYR 11 10.866 0.277 2.603 108 H THR 12 H THR 12 8.136 1.900 6.722 109 HA THR 12 HA THR 12 7.067 4.617 6.880 110 HB THR 12 HB THR 12 8.100 4.309 9.051 111 HG1 THR 12 1HG THR 12 10.015 5.843 7.739 112 HG21 THR 12 3HG2 THR 12 10.630 3.773 7.482 113 HG22 THR 12 1HG2 THR 12 9.732 2.552 8.407 114 HG23 THR 12 2HG2 THR 12 10.497 3.892 9.263 115 H LYS 13 H LYS 13 7.978 5.922 5.502 116 HA LYS 13 HA LYS 13 9.227 4.628 3.159 117 HB2 LYS 13 1HB LYS 13 8.579 6.428 1.845 118 HB3 LYS 13 2HB LYS 13 7.212 6.126 2.885 119 HG2 LYS 13 1HG LYS 13 7.555 8.152 4.114 120 HG3 LYS 13 2HG LYS 13 9.208 8.334 3.551 121 HD2 LYS 13 1HD LYS 13 8.324 8.533 1.186 122 HD3 LYS 13 2HD LYS 13 6.700 8.637 1.879 123 HE2 LYS 13 1HE LYS 13 8.949 10.510 2.669 124 HE3 LYS 13 2HE LYS 13 7.986 10.772 1.214 125 HZ1 LYS 13 3HZ LYS 13 7.024 12.015 2.998 126 HZ2 LYS 13 1HZ LYS 13 6.917 10.725 3.988 127 HZ3 LYS 13 2HZ LYS 13 5.980 10.847 2.626 128 H VAL 14 H VAL 14 10.975 5.437 1.997 129 HA VAL 14 HA VAL 14 13.177 6.600 3.481 130 HB VAL 14 HB VAL 14 13.843 5.260 1.714 131 HG11 VAL 14 1HG1 VAL 14 12.145 4.437 0.729 132 HG12 VAL 14 2HG1 VAL 14 11.588 5.938 0.038 133 HG13 VAL 14 3HG1 VAL 14 13.070 5.153 -0.561 134 HG21 VAL 14 3HG2 VAL 14 14.085 7.975 0.626 135 HG22 VAL 14 1HG2 VAL 14 15.170 7.160 1.712 136 HG23 VAL 14 2HG2 VAL 14 14.988 6.540 0.075 137 HA PRO 15 HA PRO 15 11.559 10.774 2.919 138 HB2 PRO 15 1HB PRO 15 13.810 12.226 3.592 139 HB3 PRO 15 2HB PRO 15 12.773 11.402 4.799 140 HG2 PRO 15 1HG PRO 15 15.381 10.495 3.607 141 HG3 PRO 15 2HG PRO 15 14.842 10.351 5.303 142 HD2 PRO 15 1HD PRO 15 14.744 8.290 3.526 143 HD3 PRO 15 2HD PRO 15 13.588 8.476 4.872 144 H ASP 16 H ASP 16 11.612 12.282 1.202 145 HA ASP 16 HA ASP 16 11.957 13.115 -0.814 146 HB2 ASP 16 1HB ASP 16 14.161 13.645 0.396 147 HB3 ASP 16 2HB ASP 16 14.898 12.417 -0.628 148 H THR 17 H THR 17 10.775 10.844 -1.031 149 HA THR 17 HA THR 17 11.770 9.608 -3.508 150 HB THR 17 HB THR 17 11.349 7.250 -2.446 151 HG1 THR 17 1HG THR 17 11.321 8.624 -0.027 152 HG21 THR 17 3HG2 THR 17 13.409 7.074 -1.458 153 HG22 THR 17 1HG2 THR 17 13.538 8.830 -1.181 154 HG23 THR 17 2HG2 THR 17 13.545 8.176 -2.823 155 H ASP 18 H ASP 18 10.040 7.975 -4.265 156 HA ASP 18 HA ASP 18 7.551 9.460 -4.472 157 HB2 ASP 18 1HB ASP 18 8.349 6.807 -5.721 158 HB3 ASP 18 2HB ASP 18 7.048 7.897 -6.234 159 H GLU 19 H GLU 19 8.658 7.115 -2.310 160 HA GLU 19 HA GLU 19 6.380 5.394 -1.923 161 HB2 GLU 19 1HB GLU 19 8.877 6.108 -0.360 162 HB3 GLU 19 2HB GLU 19 7.623 5.044 0.292 163 HG2 GLU 19 1HG GLU 19 7.901 3.463 -1.539 164 HG3 GLU 19 2HG GLU 19 9.137 4.513 -2.274 165 H ILE 20 H ILE 20 5.440 5.321 0.396 166 HA ILE 20 HA ILE 20 4.622 7.917 1.513 167 HB ILE 20 HB ILE 20 2.227 7.192 1.248 168 HG12 ILE 20 1HG1 ILE 20 3.393 5.275 -0.837 169 HG13 ILE 20 2HG1 ILE 20 2.515 4.815 0.618 170 HG21 ILE 20 1HG2 ILE 20 1.986 8.272 -0.869 171 HG22 ILE 20 2HG2 ILE 20 3.441 8.956 -0.137 172 HG23 ILE 20 3HG2 ILE 20 3.583 7.742 -1.422 173 HD11 ILE 20 3HD1 ILE 20 1.502 6.150 -1.886 174 HD12 ILE 20 1HD1 ILE 20 0.981 4.608 -1.190 175 HD13 ILE 20 2HD1 ILE 20 0.527 6.158 -0.434 176 H SER 21 H SER 21 4.369 7.750 3.701 177 HA SER 21 HA SER 21 5.079 5.155 4.964 178 HB2 SER 21 1HB SER 21 5.308 6.821 6.993 179 HB3 SER 21 2HB SER 21 6.568 6.687 5.777 180 HG SER 21 HG SER 21 4.604 8.613 5.298 181 H PHE 22 H PHE 22 3.605 4.023 6.182 182 HA PHE 22 HA PHE 22 1.168 5.404 7.258 183 HB2 PHE 22 1HB PHE 22 0.973 3.079 5.315 184 HB3 PHE 22 2HB PHE 22 -0.373 3.872 6.111 185 HD1 PHE 22 2HD PHE 22 -0.048 6.718 5.710 186 HD2 PHE 22 1HD PHE 22 0.823 3.416 3.065 187 HE1 PHE 22 2HE PHE 22 -0.470 8.159 3.766 188 HE2 PHE 22 1HE PHE 22 0.216 4.789 1.162 189 HZ PHE 22 HZ PHE 22 -0.378 7.219 1.467 190 H LEU 23 H LEU 23 -0.338 3.941 8.134 191 HA LEU 23 HA LEU 23 1.013 2.615 10.320 192 HB2 LEU 23 1HB LEU 23 -1.865 3.457 9.814 193 HB3 LEU 23 2HB LEU 23 -1.232 2.976 11.386 194 HG LEU 23 HG LEU 23 0.033 5.327 9.890 195 HD11 LEU 23 1HD1 LEU 23 -1.478 6.835 11.027 196 HD12 LEU 23 2HD1 LEU 23 -2.466 5.432 11.561 197 HD13 LEU 23 3HD1 LEU 23 -2.252 5.825 9.814 198 HD21 LEU 23 3HD2 LEU 23 0.638 6.065 12.115 199 HD22 LEU 23 1HD2 LEU 23 1.260 4.451 11.784 200 HD23 LEU 23 2HD2 LEU 23 -0.172 4.647 12.836 201 H LYS 24 H LYS 24 -0.347 0.736 11.355 202 HA LYS 24 HA LYS 24 -1.122 -1.411 9.555 203 HB2 LYS 24 1HB LYS 24 -0.392 -1.705 11.941 204 HB3 LYS 24 2HB LYS 24 -1.800 -0.773 12.470 205 HG2 LYS 24 1HG LYS 24 -3.324 -2.499 11.685 206 HG3 LYS 24 2HG LYS 24 -1.988 -3.380 10.934 207 HD2 LYS 24 1HD LYS 24 -0.966 -3.661 13.250 208 HD3 LYS 24 2HD LYS 24 -2.426 -2.884 13.909 209 HE2 LYS 24 1HE LYS 24 -3.758 -4.671 12.631 210 HE3 LYS 24 2HE LYS 24 -2.227 -5.489 12.354 211 HZ1 LYS 24 3HZ LYS 24 -3.390 -4.904 15.010 212 HZ2 LYS 24 1HZ LYS 24 -1.952 -5.666 14.734 213 HZ3 LYS 24 2HZ LYS 24 -3.356 -6.369 14.227 214 H GLY 25 H GLY 25 -3.347 -1.964 9.015 215 HA2 GLY 25 1HA GLY 25 -5.611 -1.807 9.030 216 HA3 GLY 25 2HA GLY 25 -5.523 -0.483 10.195 217 H ASP 26 H ASP 26 -3.600 0.219 7.421 218 HA ASP 26 HA ASP 26 -5.788 1.800 6.185 219 HB2 ASP 26 1HB ASP 26 -2.802 2.038 6.203 220 HB3 ASP 26 2HB ASP 26 -3.589 2.333 4.659 221 H MET 27 H MET 27 -6.108 1.611 3.828 222 HA MET 27 HA MET 27 -5.535 -1.104 2.845 223 HB2 MET 27 1HB MET 27 -7.783 -1.009 3.980 224 HB3 MET 27 2HB MET 27 -8.282 0.190 2.761 225 HG2 MET 27 1HG MET 27 -7.734 -1.397 0.988 226 HG3 MET 27 2HG MET 27 -7.172 -2.567 2.183 227 HE1 MET 27 3HE MET 27 -8.230 -4.085 0.810 228 HE2 MET 27 1HE MET 27 -9.943 -4.557 0.900 229 HE3 MET 27 2HE MET 27 -9.449 -3.265 -0.193 230 H PHE 28 H PHE 28 -5.518 -1.284 0.677 231 HA PHE 28 HA PHE 28 -5.206 1.243 -0.824 232 HB2 PHE 28 1HB PHE 28 -3.304 -1.110 -0.975 233 HB3 PHE 28 2HB PHE 28 -3.091 0.514 -1.580 234 HD1 PHE 28 1HD PHE 28 -2.549 2.409 -0.070 235 HD2 PHE 28 2HD PHE 28 -2.749 -1.665 1.328 236 HE1 PHE 28 1HE PHE 28 -1.286 3.030 1.949 237 HE2 PHE 28 2HE PHE 28 -1.444 -1.056 3.309 238 HZ PHE 28 HZ PHE 28 -0.707 1.305 3.660 239 H ILE 29 H ILE 29 -4.808 0.717 -3.217 240 HA ILE 29 HA ILE 29 -6.440 -1.588 -4.151 241 HB ILE 29 HB ILE 29 -7.488 -0.199 -5.785 242 HG12 ILE 29 1HG1 ILE 29 -5.828 2.130 -4.703 243 HG13 ILE 29 2HG1 ILE 29 -5.684 1.393 -6.305 244 HG21 ILE 29 1HG2 ILE 29 -9.000 0.955 -4.376 245 HG22 ILE 29 2HG2 ILE 29 -8.269 -0.232 -3.289 246 HG23 ILE 29 3HG2 ILE 29 -7.726 1.445 -3.239 247 HD11 ILE 29 3HD1 ILE 29 -6.910 3.464 -6.450 248 HD12 ILE 29 1HD1 ILE 29 -7.942 2.080 -6.873 249 HD13 ILE 29 2HD1 ILE 29 -8.121 2.904 -5.297 250 H VAL 30 H VAL 30 -5.561 -2.675 -5.985 251 HA VAL 30 HA VAL 30 -2.771 -2.034 -6.495 252 HB VAL 30 HB VAL 30 -4.628 -4.265 -7.502 253 HG11 VAL 30 1HG1 VAL 30 -1.778 -3.680 -8.413 254 HG12 VAL 30 2HG1 VAL 30 -2.434 -5.298 -8.364 255 HG13 VAL 30 3HG1 VAL 30 -3.195 -4.056 -9.362 256 HG21 VAL 30 3HG2 VAL 30 -2.913 -5.570 -6.080 257 HG22 VAL 30 1HG2 VAL 30 -2.497 -4.009 -5.387 258 HG23 VAL 30 2HG2 VAL 30 -4.130 -4.568 -5.244 259 H HIS 31 H HIS 31 -2.164 -0.466 -7.863 260 HA HIS 31 HA HIS 31 -3.901 0.075 -10.213 261 HB2 HIS 31 1HB HIS 31 -2.445 1.877 -8.327 262 HB3 HIS 31 2HB HIS 31 -2.294 2.270 -10.030 263 HD1 HIS 31 1HD HIS 31 -5.190 1.696 -11.115 264 HD2 HIS 31 2HD HIS 31 -4.135 3.720 -7.577 265 HE1 HIS 31 1HE HIS 31 -7.143 3.234 -10.554 266 H ASN 32 H ASN 32 -0.700 -0.980 -9.131 267 HA ASN 32 HA ASN 32 -0.369 -1.960 -11.804 268 HB2 ASN 32 1HB ASN 32 0.841 0.433 -11.490 269 HB3 ASN 32 2HB ASN 32 2.101 -0.531 -10.793 270 HD21 ASN 32 1HD2 ASN 32 3.677 -0.722 -12.485 271 HD22 ASN 32 2HD2 ASN 32 3.224 -0.894 -14.162 272 H GLU 33 H GLU 33 1.868 -3.160 -11.686 273 HA GLU 33 HA GLU 33 2.479 -4.343 -9.024 274 HB2 GLU 33 1HB GLU 33 2.090 -6.653 -9.790 275 HB3 GLU 33 2HB GLU 33 0.613 -5.659 -9.680 276 HG2 GLU 33 1HG GLU 33 0.694 -5.219 -12.045 277 HG3 GLU 33 2HG GLU 33 2.191 -6.195 -12.160 278 H LEU 34 H LEU 34 4.455 -4.467 -8.889 279 HA LEU 34 HA LEU 34 6.394 -4.244 -11.180 280 HB2 LEU 34 1HB LEU 34 6.859 -3.435 -8.287 281 HB3 LEU 34 2HB LEU 34 7.996 -3.218 -9.589 282 HG LEU 34 HG LEU 34 5.355 -1.962 -10.063 283 HD11 LEU 34 1HD1 LEU 34 5.738 -0.059 -8.652 284 HD12 LEU 34 2HD1 LEU 34 7.274 -0.743 -8.048 285 HD13 LEU 34 3HD1 LEU 34 5.729 -1.497 -7.621 286 HD21 LEU 34 3HD2 LEU 34 6.596 -0.156 -10.931 287 HD22 LEU 34 1HD2 LEU 34 7.136 -1.710 -11.622 288 HD23 LEU 34 2HD2 LEU 34 8.129 -0.888 -10.372 289 H GLU 35 H GLU 35 8.716 -5.055 -10.292 290 HA GLU 35 HA GLU 35 8.460 -7.620 -8.827 291 HB2 GLU 35 1HB GLU 35 10.028 -7.051 -11.367 292 HB3 GLU 35 2HB GLU 35 10.120 -8.519 -10.395 293 HG2 GLU 35 1HG GLU 35 7.348 -8.207 -10.885 294 HG3 GLU 35 2HG GLU 35 8.075 -7.679 -12.388 295 H ASP 36 H ASP 36 9.152 -6.266 -7.057 296 HA ASP 36 HA ASP 36 11.846 -6.734 -6.476 297 HB2 ASP 36 1HB ASP 36 12.283 -4.751 -7.874 298 HB3 ASP 36 2HB ASP 36 11.275 -3.770 -6.799 299 H GLY 37 H GLY 37 9.164 -7.217 -5.457 300 HA2 GLY 37 1HA GLY 37 8.116 -7.363 -3.450 301 HA3 GLY 37 2HA GLY 37 9.481 -6.571 -2.677 302 H TRP 38 H TRP 38 7.565 -5.106 -5.335 303 HA TRP 38 HA TRP 38 6.663 -2.956 -3.469 304 HB2 TRP 38 1HB TRP 38 8.433 -2.734 -5.937 305 HB3 TRP 38 2HB TRP 38 7.396 -1.408 -5.446 306 HD1 TRP 38 HD TRP 38 10.789 -2.599 -4.891 307 HE1 TRP 38 1HE TRP 38 11.851 -1.529 -2.875 308 HE3 TRP 38 3HE TRP 38 6.643 -0.430 -2.891 309 HZ2 TRP 38 2HZ TRP 38 10.950 -0.132 -0.434 310 HZ3 TRP 38 3HZ TRP 38 6.745 0.765 -0.713 311 HH2 TRP 38 HH TRP 38 8.904 0.867 0.540 312 H MET 39 H MET 39 4.835 -1.819 -4.126 313 HA MET 39 HA MET 39 3.621 -2.474 -6.732 314 HB2 MET 39 1HB MET 39 2.206 -2.744 -4.072 315 HB3 MET 39 2HB MET 39 1.527 -2.943 -5.681 316 HG2 MET 39 1HG MET 39 2.835 -4.901 -6.128 317 HG3 MET 39 2HG MET 39 3.675 -4.771 -4.584 318 HE1 MET 39 3HE MET 39 1.422 -5.984 -1.926 319 HE2 MET 39 1HE MET 39 2.858 -5.045 -2.409 320 HE3 MET 39 2HE MET 39 1.291 -4.257 -2.335 321 H TRP 40 H TRP 40 2.569 -0.744 -7.569 322 HA TRP 40 HA TRP 40 2.386 1.804 -6.085 323 HB2 TRP 40 1HB TRP 40 3.059 1.585 -8.547 324 HB3 TRP 40 2HB TRP 40 1.370 1.250 -8.895 325 HD1 TRP 40 HD TRP 40 -0.354 3.403 -7.892 326 HE1 TRP 40 1HE TRP 40 0.039 5.922 -7.949 327 HE3 TRP 40 3HE TRP 40 4.668 3.321 -8.664 328 HZ2 TRP 40 2HZ TRP 40 2.328 7.711 -8.419 329 HZ3 TRP 40 3HZ TRP 40 5.958 5.450 -8.914 330 HH2 TRP 40 HH TRP 40 4.798 7.633 -8.750 331 H VAL 41 H VAL 41 0.583 2.583 -5.124 332 HA VAL 41 HA VAL 41 -2.058 1.435 -5.815 333 HB VAL 41 HB VAL 41 -2.500 1.037 -3.491 334 HG11 VAL 41 1HG1 VAL 41 -1.139 -0.868 -2.982 335 HG12 VAL 41 2HG1 VAL 41 -1.383 -0.811 -4.735 336 HG13 VAL 41 3HG1 VAL 41 0.168 -0.311 -4.034 337 HG21 VAL 41 3HG2 VAL 41 -0.838 1.268 -1.694 338 HG22 VAL 41 1HG2 VAL 41 0.368 1.860 -2.845 339 HG23 VAL 41 2HG2 VAL 41 -1.062 2.835 -2.461 340 H THR 42 H THR 42 -3.728 2.606 -4.230 341 HA THR 42 HA THR 42 -3.020 5.423 -3.659 342 HB THR 42 HB THR 42 -5.812 4.339 -4.205 343 HG1 THR 42 1HG THR 42 -5.522 5.850 -6.089 344 HG21 THR 42 3HG2 THR 42 -4.866 7.223 -3.941 345 HG22 THR 42 1HG2 THR 42 -5.676 6.304 -2.655 346 HG23 THR 42 2HG2 THR 42 -6.536 6.631 -4.138 347 H ASN 43 H ASN 43 -3.252 5.889 -1.465 348 HA ASN 43 HA ASN 43 -4.427 3.856 0.361 349 HB2 ASN 43 1HB ASN 43 -2.231 4.963 0.875 350 HB3 ASN 43 2HB ASN 43 -3.074 6.498 1.008 351 HD21 ASN 43 1HD2 ASN 43 -1.661 5.313 3.244 352 HD22 ASN 43 2HD2 ASN 43 -2.832 4.901 4.462 353 H LEU 44 H LEU 44 -6.502 4.058 0.900 354 HA LEU 44 HA LEU 44 -8.132 6.183 -0.134 355 HB2 LEU 44 1HB LEU 44 -8.889 4.052 1.900 356 HB3 LEU 44 2HB LEU 44 -9.984 5.055 0.955 357 HG LEU 44 HG LEU 44 -8.337 2.703 0.043 358 HD11 LEU 44 1HD1 LEU 44 -11.237 3.587 -0.249 359 HD12 LEU 44 2HD1 LEU 44 -10.610 2.352 0.870 360 HD13 LEU 44 3HD1 LEU 44 -10.581 2.085 -0.901 361 HD21 LEU 44 3HD2 LEU 44 -9.071 3.243 -2.325 362 HD22 LEU 44 1HD2 LEU 44 -7.781 4.268 -1.701 363 HD23 LEU 44 2HD2 LEU 44 -9.446 4.882 -1.750 364 H ARG 45 H ARG 45 -6.164 6.506 2.616 365 HA ARG 45 HA ARG 45 -8.114 7.817 4.291 366 HB2 ARG 45 1HB ARG 45 -6.307 8.543 5.593 367 HB3 ARG 45 2HB ARG 45 -6.052 6.853 5.181 368 HG2 ARG 45 1HG ARG 45 -4.246 7.431 3.668 369 HG3 ARG 45 2HG ARG 45 -4.637 9.128 3.746 370 HD2 ARG 45 1HD ARG 45 -2.603 8.466 5.057 371 HD3 ARG 45 2HD ARG 45 -3.805 9.407 5.934 372 HE ARG 45 HE ARG 45 -3.490 6.452 6.089 373 HH11 ARG 45 1HH1 ARG 45 -4.408 9.470 7.845 374 HH12 ARG 45 2HH1 ARG 45 -5.601 8.627 8.769 375 HH21 ARG 45 1HH2 ARG 45 -4.873 5.430 7.522 376 HH22 ARG 45 2HH2 ARG 45 -5.681 6.298 8.794 377 H THR 46 H THR 46 -6.009 8.940 1.661 378 HA THR 46 HA THR 46 -7.396 11.494 1.604 379 HB THR 46 HB THR 46 -5.940 11.810 3.500 380 HG1 THR 46 1HG THR 46 -5.286 13.231 1.181 381 HG21 THR 46 3HG2 THR 46 -3.902 10.459 2.107 382 HG22 THR 46 1HG2 THR 46 -3.826 11.218 3.696 383 HG23 THR 46 2HG2 THR 46 -3.377 12.148 2.264 384 H ASP 47 H ASP 47 -6.748 9.158 -0.193 385 HA ASP 47 HA ASP 47 -6.171 8.735 -2.297 386 HB2 ASP 47 1HB ASP 47 -7.738 10.679 -2.656 387 HB3 ASP 47 2HB ASP 47 -6.324 11.713 -2.848 388 H GLU 48 H GLU 48 -4.026 9.288 -0.316 389 HA GLU 48 HA GLU 48 -1.763 10.305 -1.836 390 HB2 GLU 48 1HB GLU 48 -2.099 8.793 0.763 391 HB3 GLU 48 2HB GLU 48 -0.488 8.914 -0.006 392 HG2 GLU 48 1HG GLU 48 -0.581 11.281 -0.108 393 HG3 GLU 48 2HG GLU 48 -2.249 11.332 0.462 394 H GLN 49 H GLN 49 -1.625 9.369 -3.818 395 HA GLN 49 HA GLN 49 -1.345 6.449 -4.019 396 HB2 GLN 49 1HB GLN 49 -0.616 8.600 -6.069 397 HB3 GLN 49 2HB GLN 49 -0.652 6.869 -6.346 398 HG2 GLN 49 1HG GLN 49 -2.646 7.378 -7.259 399 HG3 GLN 49 2HG GLN 49 -3.151 7.063 -5.600 400 HE21 GLN 49 1HE2 GLN 49 -4.879 8.333 -6.857 401 HE22 GLN 49 2HE2 GLN 49 -5.023 10.006 -6.336 402 H GLY 50 H GLY 50 0.552 5.393 -4.690 403 HA2 GLY 50 1HA GLY 50 2.952 6.165 -5.405 404 HA3 GLY 50 2HA GLY 50 3.065 6.543 -3.670 405 H LEU 51 H LEU 51 4.808 4.869 -4.005 406 HA LEU 51 HA LEU 51 4.072 2.119 -4.404 407 HB2 LEU 51 1HB LEU 51 6.589 3.608 -3.562 408 HB3 LEU 51 2HB LEU 51 6.560 1.855 -3.628 409 HG LEU 51 HG LEU 51 5.748 3.538 -6.030 410 HD11 LEU 51 1HD1 LEU 51 8.003 3.149 -6.949 411 HD12 LEU 51 2HD1 LEU 51 8.505 2.415 -5.409 412 HD13 LEU 51 3HD1 LEU 51 8.076 4.141 -5.475 413 HD21 LEU 51 3HD2 LEU 51 5.020 1.233 -6.103 414 HD22 LEU 51 1HD2 LEU 51 6.676 0.683 -5.741 415 HD23 LEU 51 2HD2 LEU 51 6.320 1.541 -7.262 416 H ILE 52 H ILE 52 3.830 0.447 -2.960 417 HA ILE 52 HA ILE 52 4.567 0.818 -0.151 418 HB ILE 52 HB ILE 52 2.626 -0.293 0.695 419 HG12 ILE 52 1HG1 ILE 52 0.602 -0.294 -1.144 420 HG13 ILE 52 2HG1 ILE 52 1.980 -0.753 -2.158 421 HG21 ILE 52 1HG2 ILE 52 2.526 2.133 0.636 422 HG22 ILE 52 2HG2 ILE 52 1.776 2.097 -0.974 423 HG23 ILE 52 3HG2 ILE 52 0.916 1.430 0.430 424 HD11 ILE 52 3HD1 ILE 52 2.390 -2.690 -0.766 425 HD12 ILE 52 1HD1 ILE 52 1.255 -2.109 0.479 426 HD13 ILE 52 2HD1 ILE 52 0.648 -2.630 -1.095 427 H VAL 53 H VAL 53 5.059 -1.088 0.922 428 HA VAL 53 HA VAL 53 6.402 -3.004 -0.829 429 HB VAL 53 HB VAL 53 7.420 -1.772 1.172 430 HG11 VAL 53 1HG1 VAL 53 7.187 -2.695 3.400 431 HG12 VAL 53 2HG1 VAL 53 5.593 -2.168 2.836 432 HG13 VAL 53 3HG1 VAL 53 5.992 -3.880 2.840 433 HG21 VAL 53 3HG2 VAL 53 8.622 -3.544 0.151 434 HG22 VAL 53 1HG2 VAL 53 8.776 -3.728 1.905 435 HG23 VAL 53 2HG2 VAL 53 7.678 -4.784 0.991 436 H GLU 54 H GLU 54 5.936 -5.167 -0.970 437 HA GLU 54 HA GLU 54 3.286 -6.000 -0.140 438 HB2 GLU 54 1HB GLU 54 3.740 -8.044 -1.297 439 HB3 GLU 54 2HB GLU 54 4.259 -6.663 -2.260 440 HG2 GLU 54 1HG GLU 54 6.630 -7.072 -1.502 441 HG3 GLU 54 2HG GLU 54 6.072 -8.523 -0.670 442 H ASP 55 H ASP 55 6.196 -5.870 1.448 443 HA ASP 55 HA ASP 55 6.469 -8.300 2.784 444 HB2 ASP 55 1HB ASP 55 8.150 -6.488 2.454 445 HB3 ASP 55 2HB ASP 55 7.315 -5.512 3.645 446 H LEU 56 H LEU 56 4.136 -5.921 3.399 447 HA LEU 56 HA LEU 56 3.524 -6.967 6.136 448 HB2 LEU 56 1HB LEU 56 3.954 -4.095 5.266 449 HB3 LEU 56 2HB LEU 56 3.255 -4.546 6.822 450 HG LEU 56 HG LEU 56 6.074 -5.291 5.908 451 HD11 LEU 56 1HD1 LEU 56 5.770 -2.962 6.272 452 HD12 LEU 56 2HD1 LEU 56 6.752 -3.638 7.584 453 HD13 LEU 56 3HD1 LEU 56 5.032 -3.233 7.867 454 HD21 LEU 56 3HD2 LEU 56 6.051 -5.633 8.635 455 HD22 LEU 56 1HD2 LEU 56 5.707 -6.957 7.493 456 HD23 LEU 56 2HD2 LEU 56 4.392 -6.104 8.268 457 H VAL 57 H VAL 57 2.101 -7.243 3.422 458 HA VAL 57 HA VAL 57 -0.500 -6.035 4.311 459 HB VAL 57 HB VAL 57 -1.115 -5.885 1.930 460 HG11 VAL 57 1HG1 VAL 57 -0.417 -3.889 3.177 461 HG12 VAL 57 2HG1 VAL 57 1.275 -4.178 2.717 462 HG13 VAL 57 3HG1 VAL 57 0.061 -3.803 1.481 463 HG21 VAL 57 3HG2 VAL 57 0.628 -7.435 0.993 464 HG22 VAL 57 1HG2 VAL 57 0.589 -5.853 0.194 465 HG23 VAL 57 2HG2 VAL 57 1.851 -6.218 1.389 466 H GLU 58 H GLU 58 -2.429 -7.075 3.819 467 HA GLU 58 HA GLU 58 -2.258 -9.993 3.237 468 HB2 GLU 58 1HB GLU 58 -4.451 -10.214 4.209 469 HB3 GLU 58 2HB GLU 58 -3.397 -9.439 5.394 470 HG2 GLU 58 1HG GLU 58 -4.389 -7.277 4.967 471 HG3 GLU 58 2HG GLU 58 -5.291 -7.894 3.580 472 H GLU 59 H GLU 59 -3.462 -10.874 1.669 473 HA GLU 59 HA GLU 59 -4.199 -9.210 -0.549 474 HB2 GLU 59 1HB GLU 59 -4.283 -12.179 0.171 475 HB3 GLU 59 2HB GLU 59 -5.435 -11.605 -1.028 476 HG2 GLU 59 1HG GLU 59 -3.261 -10.521 -2.121 477 HG3 GLU 59 2HG GLU 59 -2.446 -11.771 -1.212 478 H VAL 60 H VAL 60 -6.040 -8.020 -0.564 479 HA VAL 60 HA VAL 60 -8.513 -9.358 0.437 480 HB VAL 60 HB VAL 60 -8.049 -6.397 0.140 481 HG11 VAL 60 1HG1 VAL 60 -9.748 -6.438 2.037 482 HG12 VAL 60 2HG1 VAL 60 -10.357 -7.061 0.498 483 HG13 VAL 60 3HG1 VAL 60 -9.898 -8.188 1.799 484 HG21 VAL 60 3HG2 VAL 60 -6.312 -6.934 1.676 485 HG22 VAL 60 1HG2 VAL 60 -7.675 -6.442 2.681 486 HG23 VAL 60 2HG2 VAL 60 -7.310 -8.147 2.499 487 H GLY 61 H GLY 61 -10.405 -9.377 -0.819 488 HA2 GLY 61 1HA GLY 61 -10.252 -8.388 -3.639 489 HA3 GLY 61 2HA GLY 61 -11.114 -9.819 -3.087 490 H ARG 62 H ARG 62 -11.238 -7.189 -0.964 491 HA ARG 62 HA ARG 62 -14.052 -6.853 -0.984 492 HB2 ARG 62 1HB ARG 62 -11.831 -5.087 0.151 493 HB3 ARG 62 2HB ARG 62 -13.543 -4.668 0.277 494 HG2 ARG 62 1HG ARG 62 -14.053 -6.642 1.543 495 HG3 ARG 62 2HG ARG 62 -12.490 -7.358 1.176 496 HD2 ARG 62 1HD ARG 62 -11.462 -5.345 2.505 497 HD3 ARG 62 2HD ARG 62 -13.096 -5.136 3.123 498 HE ARG 62 HE ARG 62 -11.306 -7.503 3.462 499 HH11 ARG 62 1HH1 ARG 62 -14.253 -5.874 4.600 500 HH12 ARG 62 2HH1 ARG 62 -14.667 -7.154 5.692 501 HH21 ARG 62 1HH2 ARG 62 -11.817 -9.141 4.959 502 HH22 ARG 62 2HH2 ARG 62 -13.160 -8.923 5.998
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