NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2152 | 1bh1 | 4194 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 3H GLY 1 4.591 0.185 0.185 2 2H GLY 1 2H GLY 1 5.032 1.360 1.360 3 3H GLY 1 1H GLY 1 5.453 -0.271 -0.271 4 1HA GLY 1 2HA GLY 1 3.495 -0.657 -0.657 5 2HA GLY 1 1HA GLY 1 3.077 1.056 1.056 6 H ILE 2 H ILE 2 0.925 -0.615 -0.615 7 HA ILE 2 HA ILE 2 0.769 -1.070 -1.070 8 HB ILE 2 HB ILE 2 -1.054 -2.669 -2.669 9 1HG1 ILE 2 2HG1 ILE 2 -0.320 -2.097 -2.097 10 2HG1 ILE 2 1HG1 ILE 2 -1.849 -1.706 -1.706 11 1HG2 ILE 2 3HG2 ILE 2 1.435 -3.289 -3.289 12 2HG2 ILE 2 2HG2 ILE 2 1.473 -3.291 -3.291 13 3HG2 ILE 2 1HG2 ILE 2 0.446 -4.419 -4.419 14 1HD1 ILE 2 2HD1 ILE 2 -1.822 -4.339 -4.339 15 2HD1 ILE 2 1HD1 ILE 2 -0.761 -4.381 -4.381 16 3HD1 ILE 2 3HD1 ILE 2 -2.388 -3.750 -3.750 17 H GLY 3 H GLY 3 -0.522 0.874 0.874 18 1HA GLY 3 2HA GLY 3 -3.075 1.555 1.555 19 2HA GLY 3 1HA GLY 3 -1.864 2.820 2.820 20 H ALA 4 H ALA 4 -0.639 2.412 2.412 21 HA ALA 4 HA ALA 4 -2.697 3.552 3.552 22 1HB ALA 4 3HB ALA 4 -0.361 4.639 4.639 23 2HB ALA 4 2HB ALA 4 0.282 3.294 3.294 24 3HB ALA 4 1HB ALA 4 -0.869 4.394 4.394 25 H VAL 5 H VAL 5 -0.378 0.921 0.921 26 HA VAL 5 HA VAL 5 -0.666 -0.237 -0.237 27 HB VAL 5 HB VAL 5 -0.435 -1.770 -1.770 28 1HG1 VAL 5 2HG1 VAL 5 0.464 -2.435 -2.435 29 2HG1 VAL 5 1HG1 VAL 5 0.941 -3.360 -3.360 30 3HG1 VAL 5 3HG1 VAL 5 -0.745 -3.278 -3.278 31 1HG2 VAL 5 3HG2 VAL 5 1.782 -0.491 -0.491 32 2HG2 VAL 5 2HG2 VAL 5 1.318 0.068 0.068 33 3HG2 VAL 5 1HG2 VAL 5 2.056 -1.503 -1.503 34 H LEU 6 H LEU 6 -2.780 -0.484 -0.484 35 HA LEU 6 HA LEU 6 -4.598 -2.358 -2.358 36 1HB LEU 6 2HB LEU 6 -5.275 -0.920 -0.920 37 2HB LEU 6 1HB LEU 6 -5.877 -2.448 -2.448 38 HG LEU 6 HG LEU 6 -3.032 -1.919 -1.919 39 1HD1 LEU 6 2HD1 LEU 6 -5.458 -3.298 -3.298 40 2HD1 LEU 6 1HD1 LEU 6 -3.842 -3.565 -3.565 41 3HD1 LEU 6 3HD1 LEU 6 -4.540 -1.958 -1.958 42 1HD2 LEU 6 1HD2 LEU 6 -4.373 -4.414 -4.414 43 2HD2 LEU 6 3HD2 LEU 6 -2.874 -3.672 -3.672 44 3HD2 LEU 6 2HD2 LEU 6 -2.941 -4.514 -4.514 45 H LYS 7 H LYS 7 -4.106 0.857 0.857 46 HA LYS 7 HA LYS 7 -6.925 1.650 1.650 47 1HB LYS 7 2HB LYS 7 -5.205 2.918 2.918 48 2HB LYS 7 1HB LYS 7 -4.530 3.497 3.497 49 1HG LYS 7 2HG LYS 7 -7.309 3.936 3.936 50 2HG LYS 7 1HG LYS 7 -7.039 4.299 4.299 51 1HD LYS 7 2HD LYS 7 -5.332 5.447 5.447 52 2HD LYS 7 1HD LYS 7 -6.796 6.230 6.230 53 1HE LYS 7 2HE LYS 7 -5.892 6.480 6.480 54 2HE LYS 7 1HE LYS 7 -4.450 5.574 5.574 55 1HZ LYS 7 1HZ LYS 7 -4.728 7.662 7.662 56 2HZ LYS 7 3HZ LYS 7 -4.908 8.332 8.332 57 3HZ LYS 7 2HZ LYS 7 -3.513 7.453 7.453 58 H VAL 8 H VAL 8 -4.230 0.563 0.563 59 HA VAL 8 HA VAL 8 -4.634 2.157 2.157 60 HB VAL 8 HB VAL 8 -2.797 -0.208 -0.208 61 1HG1 VAL 8 1HG1 VAL 8 -3.189 0.060 0.060 62 2HG1 VAL 8 3HG1 VAL 8 -2.552 1.696 1.696 63 3HG1 VAL 8 2HG1 VAL 8 -1.520 0.312 0.312 64 1HG2 VAL 8 3HG2 VAL 8 -2.636 2.583 2.583 65 2HG2 VAL 8 2HG2 VAL 8 -1.534 1.281 1.281 66 3HG2 VAL 8 1HG2 VAL 8 -1.296 2.229 2.229 67 H LEU 9 H LEU 9 -5.132 -1.100 -1.100 68 HA LEU 9 HA LEU 9 -6.435 -1.908 -1.908 69 1HB LEU 9 2HB LEU 9 -6.522 -3.814 -3.814 70 2HB LEU 9 1HB LEU 9 -5.983 -4.067 -4.067 71 HG LEU 9 HG LEU 9 -4.311 -2.644 -2.644 72 1HD1 LEU 9 3HD1 LEU 9 -4.182 -5.497 -5.497 73 2HD1 LEU 9 2HD1 LEU 9 -3.006 -4.720 -4.720 74 3HD1 LEU 9 1HD1 LEU 9 -4.654 -4.951 -4.951 75 1HD2 LEU 9 1HD2 LEU 9 -3.661 -3.665 -3.665 76 2HD2 LEU 9 3HD2 LEU 9 -3.622 -1.994 -1.994 77 3HD2 LEU 9 2HD2 LEU 9 -2.441 -3.126 -3.126 78 H THR 10 H THR 10 -7.646 0.066 0.066 79 HA THR 10 HA THR 10 -10.209 -1.407 -1.407 80 HB THR 10 HB THR 10 -10.282 0.807 0.807 81 HG1 THR 10 HG1 THR 10 -7.829 -0.402 -0.402 82 1HG2 THR 10 1HG2 THR 10 -9.315 -2.097 -2.097 83 2HG2 THR 10 3HG2 THR 10 -9.489 -0.977 -0.977 84 3HG2 THR 10 2HG2 THR 10 -10.893 -1.453 -1.453 85 H THR 11 H THR 11 -8.856 1.391 1.391 86 HA THR 11 HA THR 11 -11.626 2.327 2.327 87 HB THR 11 HB THR 11 -11.088 4.332 4.332 88 HG1 THR 11 HG1 THR 11 -10.202 4.714 4.714 89 1HG2 THR 11 3HG2 THR 11 -9.454 3.110 3.110 90 2HG2 THR 11 2HG2 THR 11 -8.188 3.386 3.386 91 3HG2 THR 11 1HG2 THR 11 -8.958 4.743 4.743 92 H GLY 12 H GLY 12 -8.463 3.195 3.195 93 1HA GLY 12 2HA GLY 12 -9.282 2.173 2.173 94 2HA GLY 12 1HA GLY 12 -8.396 3.688 3.688 95 H LEU 13 H LEU 13 -6.254 3.602 3.602 96 HA LEU 13 HA LEU 13 -4.673 1.455 1.455 97 1HB LEU 13 2HB LEU 13 -5.467 1.235 1.235 98 2HB LEU 13 1HB LEU 13 -3.722 1.411 1.411 99 HG LEU 13 HG LEU 13 -5.124 -0.536 -0.536 100 1HD1 LEU 13 3HD1 LEU 13 -4.398 -1.138 -1.138 101 2HD1 LEU 13 2HD1 LEU 13 -4.897 -2.315 -2.315 102 3HD1 LEU 13 1HD1 LEU 13 -6.020 -1.082 -1.082 103 1HD2 LEU 13 3HD2 LEU 13 -2.547 0.121 0.121 104 2HD2 LEU 13 2HD2 LEU 13 -2.991 -1.568 -1.568 105 3HD2 LEU 13 1HD2 LEU 13 -2.469 -0.907 -0.907 106 HA PRO 14 HA DPR 14 -1.872 4.736 4.736 107 1HB PRO 14 2HB DPR 14 -2.181 5.850 5.850 108 2HB PRO 14 1HB DPR 14 -3.745 6.506 6.506 109 1HG PRO 14 2HG DPR 14 -3.128 3.777 3.777 110 2HG PRO 14 1HG DPR 14 -4.514 4.809 4.809 111 1HD PRO 14 2HD DPR 14 -4.757 2.692 2.692 112 2HD PRO 14 1HD DPR 14 -5.606 4.203 4.203 113 H ALA 15 H ALA 15 -1.882 5.310 5.310 114 HA ALA 15 HA ALA 15 -3.008 8.022 8.022 115 1HB ALA 15 1HB ALA 15 -0.560 7.737 7.737 116 2HB ALA 15 3HB ALA 15 -0.793 6.535 6.535 117 3HB ALA 15 2HB ALA 15 -1.275 8.204 8.204 118 H LEU 16 H LEU 16 -3.501 4.781 4.781 119 HA LEU 16 HA LEU 16 -4.131 4.814 4.814 120 1HB LEU 16 2HB LEU 16 -5.293 3.494 3.494 121 2HB LEU 16 1HB LEU 16 -6.267 3.414 3.414 122 HG LEU 16 HG LEU 16 -4.601 1.566 1.566 123 1HD1 LEU 16 3HD1 LEU 16 -5.639 2.249 2.249 124 2HD1 LEU 16 2HD1 LEU 16 -4.060 2.924 2.924 125 3HD1 LEU 16 1HD1 LEU 16 -4.229 1.211 1.211 126 1HD2 LEU 16 2HD2 LEU 16 -2.613 2.847 2.847 127 2HD2 LEU 16 1HD2 LEU 16 -2.251 1.842 1.842 128 3HD2 LEU 16 3HD2 LEU 16 -2.469 3.562 3.562 129 H ILE 17 H ILE 17 -6.136 6.235 6.235 130 HA ILE 17 HA ILE 17 -8.463 6.813 6.813 131 HB ILE 17 HB ILE 17 -7.426 8.989 8.989 132 1HG1 ILE 17 2HG1 ILE 17 -8.339 7.410 7.410 133 2HG1 ILE 17 1HG1 ILE 17 -7.943 6.104 6.104 134 1HG2 ILE 17 1HG2 ILE 17 -9.723 8.984 8.984 135 2HG2 ILE 17 3HG2 ILE 17 -10.088 7.533 7.533 136 3HG2 ILE 17 2HG2 ILE 17 -9.722 9.037 9.037 137 1HD1 ILE 17 3HD1 ILE 17 -5.674 7.871 7.871 138 2HD1 ILE 17 2HD1 ILE 17 -6.165 7.747 7.747 139 3HD1 ILE 17 1HD1 ILE 17 -5.758 6.302 6.302 140 H SER 18 H SER 18 -5.403 8.520 8.520 141 HA SER 18 HA SER 18 -6.485 10.470 10.470 142 1HB SER 18 2HB SER 18 -4.273 10.540 10.540 143 2HB SER 18 1HB SER 18 -3.839 11.233 11.233 144 HG SER 18 HG SER 18 -5.725 12.059 12.059 145 H TRP 19 H TRP 19 -5.354 7.569 7.569 146 HA TRP 19 HA TRP 19 -3.589 7.843 7.843 147 1HB TRP 19 2HB TRP 19 -3.254 6.282 6.282 148 2HB TRP 19 1HB TRP 19 -4.023 5.109 5.109 149 HD1 TRP 19 HD1 TRP 19 -0.781 5.760 5.760 150 HE1 TRP 19 HE1 TRP 19 1.095 5.170 5.170 151 HE3 TRP 19 HE3 TRP 19 -3.521 5.508 5.508 152 HZ2 TRP 19 HZ2 TRP 19 1.355 4.680 4.680 153 HZ3 TRP 19 HZ3 TRP 19 -2.365 4.959 4.959 154 HH2 TRP 19 HH2 TRP 19 0.069 4.544 4.544 155 H ILE 20 H ILE 20 -6.157 5.580 5.580 156 HA ILE 20 HA ILE 20 -6.840 5.163 5.163 157 HB ILE 20 HB ILE 20 -7.153 3.779 3.779 158 1HG1 ILE 20 2HG1 ILE 20 -7.085 1.762 1.762 159 2HG1 ILE 20 1HG1 ILE 20 -6.988 2.839 2.839 160 1HG2 ILE 20 3HG2 ILE 20 -9.394 3.825 3.825 161 2HG2 ILE 20 2HG2 ILE 20 -9.201 2.533 2.533 162 3HG2 ILE 20 1HG2 ILE 20 -9.479 4.191 4.191 163 1HD1 ILE 20 3HD1 ILE 20 -5.002 3.326 3.326 164 2HD1 ILE 20 2HD1 ILE 20 -4.792 1.859 1.859 165 3HD1 ILE 20 1HD1 ILE 20 -4.770 3.412 3.412 166 H LYS 21 H LYS 21 -8.380 6.436 6.436 167 HA LYS 21 HA LYS 21 -10.837 6.967 6.967 168 1HB LYS 21 2HB LYS 21 -9.937 7.270 7.270 169 2HB LYS 21 1HB LYS 21 -10.328 8.897 8.897 170 1HG LYS 21 2HG LYS 21 -12.557 8.236 8.236 171 2HG LYS 21 1HG LYS 21 -12.192 6.531 6.531 172 1HD LYS 21 2HD LYS 21 -11.937 6.786 6.786 173 2HD LYS 21 1HD LYS 21 -12.080 8.529 8.529 174 1HE LYS 21 2HE LYS 21 -14.336 6.974 6.974 175 2HE LYS 21 1HE LYS 21 -14.193 6.783 6.783 176 1HZ LYS 21 2HZ LYS 21 -13.904 9.529 9.529 177 2HZ LYS 21 1HZ LYS 21 -15.231 8.918 8.918 178 3HZ LYS 21 3HZ LYS 21 -15.145 8.779 8.779 179 H ARG 22 H ARG 22 -7.795 8.625 8.625 180 HA ARG 22 HA ARG 22 -8.859 11.116 11.116 181 1HB ARG 22 2HB ARG 22 -6.657 10.605 10.605 182 2HB ARG 22 1HB ARG 22 -5.922 10.240 10.240 183 1HG ARG 22 2HG ARG 22 -6.836 12.544 12.544 184 2HG ARG 22 1HG ARG 22 -7.304 12.840 12.840 185 1HD ARG 22 2HD ARG 22 -4.586 12.121 12.121 186 2HD ARG 22 1HD ARG 22 -4.621 13.015 13.015 187 HE ARG 22 HE ARG 22 -5.988 14.754 14.754 188 1HH1 ARG 22 2HH1 ARG 22 -5.291 13.178 13.178 189 2HH1 ARG 22 1HH1 ARG 22 -3.956 14.041 14.041 190 1HH2 ARG 22 1HH2 ARG 22 -3.448 15.668 15.668 191 2HH2 ARG 22 2HH2 ARG 22 -2.796 15.560 15.560 192 H LYS 23 H LYS 23 -7.664 8.136 8.136 193 HA LYS 23 HA LYS 23 -7.547 9.145 9.145 194 1HB LYS 23 2HB LYS 23 -5.871 7.483 7.483 195 2HB LYS 23 1HB LYS 23 -7.123 6.277 6.277 196 1HG LYS 23 2HG LYS 23 -6.845 7.653 7.653 197 2HG LYS 23 1HG LYS 23 -5.270 7.168 7.168 198 1HD LYS 23 2HD LYS 23 -6.019 5.257 5.257 199 2HD LYS 23 1HD LYS 23 -6.233 4.816 4.816 200 1HE LYS 23 2HE LYS 23 -8.264 4.208 4.208 201 2HE LYS 23 1HE LYS 23 -8.652 5.522 5.522 202 1HZ LYS 23 1HZ LYS 23 -7.743 6.595 6.595 203 2HZ LYS 23 3HZ LYS 23 -8.973 5.471 5.471 204 3HZ LYS 23 2HZ LYS 23 -9.239 6.775 6.775 205 H ARG 24 H ARG 24 -9.739 7.398 7.398 206 HA ARG 24 HA ARG 24 -11.346 6.503 6.503 207 1HB ARG 24 2HB ARG 24 -10.816 5.240 5.240 208 2HB ARG 24 1HB ARG 24 -12.339 5.987 5.987 209 1HG ARG 24 2HG ARG 24 -12.496 4.731 4.731 210 2HG ARG 24 1HG ARG 24 -11.861 3.585 3.585 211 1HD ARG 24 2HD ARG 24 -13.830 3.565 3.565 212 2HD ARG 24 1HD ARG 24 -14.315 5.177 5.177 213 HE ARG 24 HE ARG 24 -14.863 4.177 4.177 214 1HH1 ARG 24 1HH2 ARG 24 -13.923 1.636 1.636 215 2HH1 ARG 24 2HH2 ARG 24 -15.123 0.557 0.557 216 1HH2 ARG 24 2HH1 ARG 24 -16.683 3.231 3.231 217 2HH2 ARG 24 1HH1 ARG 24 -16.810 1.540 1.540 218 H GLN 25 H GLN 25 -11.649 8.776 8.776 219 HA GLN 25 HA GLN 25 -14.338 9.515 9.515 220 1HB GLN 25 2HB GLN 25 -12.922 10.102 10.102 221 2HB GLN 25 1HB GLN 25 -14.362 10.954 10.954 222 1HG GLN 25 2HG GLN 25 -15.281 8.405 8.405 223 2HG GLN 25 1HG GLN 25 -14.073 8.069 8.069 224 1HE2 GLN 25 2HE2 GLN 25 -17.354 10.293 10.293 225 2HE2 GLN 25 1HE2 GLN 25 -16.945 10.154 10.154 226 H GLN 26 H GLN 26 -12.919 10.146 10.146 227 HA GLN 26 HA GLN 26 -12.020 12.997 12.997 228 1HB GLN 26 2HB GLN 26 -10.216 11.145 11.145 229 2HB GLN 26 1HB GLN 26 -11.011 10.986 10.986 230 1HG GLN 26 2HG GLN 26 -9.558 12.607 12.607 231 2HG GLN 26 1HG GLN 26 -10.637 13.740 13.740 232 1HE2 GLN 26 2HE2 GLN 26 -8.400 14.106 14.106 233 2HE2 GLN 26 1HE2 GLN 26 -10.069 14.030 14.030 234 1HN NH2 27 1HT GLN 26 -14.724 12.317 12.317 235 2HN NH2 27 2HT GLN 26 -15.133 12.698 12.698 Start of MODEL 2 1 1H GLY 1 2H GLY 1 5.050 -2.134 -2.134 2 2H GLY 1 1H GLY 1 6.230 -0.998 -0.998 3 3H GLY 1 3H GLY 1 6.464 -2.654 -2.654 4 1HA GLY 1 2HA GLY 1 5.393 -2.442 -2.442 5 2HA GLY 1 1HA GLY 1 5.177 -0.706 -0.706 6 H ILE 2 H ILE 2 2.992 -1.569 -1.569 7 HA ILE 2 HA ILE 2 1.085 -2.286 -2.286 8 HB ILE 2 HB ILE 2 -0.275 -3.376 -3.376 9 1HG1 ILE 2 2HG1 ILE 2 2.297 -3.425 -3.425 10 2HG1 ILE 2 1HG1 ILE 2 1.230 -2.057 -2.057 11 1HG2 ILE 2 3HG2 ILE 2 1.301 -4.614 -4.614 12 2HG2 ILE 2 2HG2 ILE 2 2.483 -4.620 -4.620 13 3HG2 ILE 2 1HG2 ILE 2 0.941 -5.425 -5.425 14 1HD1 ILE 2 3HD1 ILE 2 0.226 -4.926 -4.926 15 2HD1 ILE 2 2HD1 ILE 2 0.851 -4.039 -4.039 16 3HD1 ILE 2 1HD1 ILE 2 -0.585 -3.468 -3.468 17 H GLY 3 H GLY 3 -0.581 -1.654 -1.654 18 1HA GLY 3 2HA GLY 3 -2.010 0.049 0.049 19 2HA GLY 3 1HA GLY 3 -0.623 1.091 1.091 20 H ALA 4 H ALA 4 -0.291 1.765 1.765 21 HA ALA 4 HA ALA 4 -2.911 2.773 2.773 22 1HB ALA 4 2HB ALA 4 -0.996 4.397 4.397 23 2HB ALA 4 1HB ALA 4 -0.126 3.643 3.643 24 3HB ALA 4 3HB ALA 4 -1.648 4.462 4.462 25 H VAL 5 H VAL 5 -0.230 0.729 0.729 26 HA VAL 5 HA VAL 5 -0.661 0.575 0.575 27 HB VAL 5 HB VAL 5 0.287 -1.700 -1.700 28 1HG1 VAL 5 3HG1 VAL 5 0.890 -1.064 -1.064 29 2HG1 VAL 5 2HG1 VAL 5 1.633 -2.366 -2.366 30 3HG1 VAL 5 1HG1 VAL 5 -0.087 -2.396 -2.396 31 1HG2 VAL 5 1HG2 VAL 5 1.729 0.783 0.783 32 2HG2 VAL 5 3HG2 VAL 5 1.756 0.102 0.102 33 3HG2 VAL 5 2HG2 VAL 5 2.628 -0.687 -0.687 34 H LEU 6 H LEU 6 -2.462 -0.528 -0.528 35 HA LEU 6 HA LEU 6 -4.038 -2.480 -2.480 36 1HB LEU 6 2HB LEU 6 -4.760 -1.588 -1.588 37 2HB LEU 6 1HB LEU 6 -5.021 -3.139 -3.139 38 HG LEU 6 HG LEU 6 -2.329 -2.051 -2.051 39 1HD1 LEU 6 1HD1 LEU 6 -3.981 -2.898 -2.898 40 2HD1 LEU 6 3HD1 LEU 6 -3.967 -4.458 -4.458 41 3HD1 LEU 6 2HD1 LEU 6 -2.510 -3.850 -3.850 42 1HD2 LEU 6 2HD2 LEU 6 -3.004 -4.655 -4.655 43 2HD2 LEU 6 1HD2 LEU 6 -1.878 -3.421 -3.421 44 3HD2 LEU 6 3HD2 LEU 6 -1.502 -4.406 -4.406 45 H LYS 7 H LYS 7 -4.082 0.803 0.803 46 HA LYS 7 HA LYS 7 -7.017 1.101 1.101 47 1HB LYS 7 2HB LYS 7 -4.897 2.743 2.743 48 2HB LYS 7 1HB LYS 7 -5.981 3.664 3.664 49 1HG LYS 7 2HG LYS 7 -7.400 3.749 3.749 50 2HG LYS 7 1HG LYS 7 -7.800 2.078 2.078 51 1HD LYS 7 2HD LYS 7 -5.959 1.324 1.324 52 2HD LYS 7 1HD LYS 7 -5.585 2.977 2.977 53 1HE LYS 7 2HE LYS 7 -8.160 1.439 1.439 54 2HE LYS 7 1HE LYS 7 -6.995 2.053 2.053 55 1HZ LYS 7 1HZ LYS 7 -7.883 4.202 4.202 56 2HZ LYS 7 3HZ LYS 7 -9.246 3.365 3.365 57 3HZ LYS 7 2HZ LYS 7 -8.123 3.972 3.972 58 H VAL 8 H VAL 8 -4.291 0.888 0.888 59 HA VAL 8 HA VAL 8 -4.869 2.936 2.936 60 HB VAL 8 HB VAL 8 -2.834 0.676 0.676 61 1HG1 VAL 8 3HG1 VAL 8 -3.317 0.908 0.908 62 2HG1 VAL 8 2HG1 VAL 8 -2.720 2.560 2.560 63 3HG1 VAL 8 1HG1 VAL 8 -1.664 1.214 1.214 64 1HG2 VAL 8 3HG2 VAL 8 -2.644 2.924 2.924 65 2HG2 VAL 8 2HG2 VAL 8 -1.224 2.401 2.401 66 3HG2 VAL 8 1HG2 VAL 8 -2.260 3.649 3.649 67 H LEU 9 H LEU 9 -4.941 -0.574 -0.574 68 HA LEU 9 HA LEU 9 -6.342 -0.766 -0.766 69 1HB LEU 9 2HB LEU 9 -6.195 -3.234 -3.234 70 2HB LEU 9 1HB LEU 9 -4.756 -2.341 -2.341 71 HG LEU 9 HG LEU 9 -4.055 -2.183 -2.183 72 1HD1 LEU 9 1HD1 LEU 9 -6.806 -3.409 -3.409 73 2HD1 LEU 9 3HD1 LEU 9 -5.528 -3.361 -3.361 74 3HD1 LEU 9 2HD1 LEU 9 -6.210 -1.875 -1.875 75 1HD2 LEU 9 2HD2 LEU 9 -3.565 -4.193 -4.193 76 2HD2 LEU 9 1HD2 LEU 9 -3.774 -4.563 -4.563 77 3HD2 LEU 9 3HD2 LEU 9 -5.059 -4.941 -4.941 78 H THR 10 H THR 10 -7.577 0.228 0.228 79 HA THR 10 HA THR 10 -9.916 -1.596 -1.596 80 HB THR 10 HB THR 10 -10.121 0.263 0.263 81 HG1 THR 10 HG1 THR 10 -7.536 -0.665 -0.665 82 1HG2 THR 10 2HG2 THR 10 -8.738 -2.492 -2.492 83 2HG2 THR 10 1HG2 THR 10 -9.009 -1.666 -1.666 84 3HG2 THR 10 3HG2 THR 10 -10.371 -2.185 -2.185 85 H THR 11 H THR 11 -8.834 1.426 1.426 86 HA THR 11 HA THR 11 -11.657 2.364 2.364 87 HB THR 11 HB THR 11 -9.157 4.198 4.198 88 HG1 THR 11 HG1 THR 11 -10.338 2.756 2.756 89 1HG2 THR 11 1HG2 THR 11 -11.777 4.828 4.828 90 2HG2 THR 11 3HG2 THR 11 -11.857 4.949 4.949 91 3HG2 THR 11 2HG2 THR 11 -10.715 5.932 5.932 92 H GLY 12 H GLY 12 -8.379 2.760 2.760 93 1HA GLY 12 2HA GLY 12 -9.412 1.946 1.946 94 2HA GLY 12 1HA GLY 12 -8.608 3.509 3.509 95 H LEU 13 H LEU 13 -6.611 3.400 3.400 96 HA LEU 13 HA LEU 13 -4.740 1.438 1.438 97 1HB LEU 13 2HB LEU 13 -5.825 1.208 1.208 98 2HB LEU 13 1HB LEU 13 -4.079 1.412 1.412 99 HG LEU 13 HG LEU 13 -5.362 -0.565 -0.565 100 1HD1 LEU 13 2HD1 LEU 13 -5.025 -0.785 -0.785 101 2HD1 LEU 13 1HD1 LEU 13 -4.520 -2.166 -2.166 102 3HD1 LEU 13 3HD1 LEU 13 -6.162 -1.578 -1.578 103 1HD2 LEU 13 2HD2 LEU 13 -2.868 0.215 0.215 104 2HD2 LEU 13 1HD2 LEU 13 -3.149 -1.508 -1.508 105 3HD2 LEU 13 3HD2 LEU 13 -2.625 -0.642 -0.642 106 HA PRO 14 HA DPR 14 -2.110 4.837 4.837 107 1HB PRO 14 2HB DPR 14 -2.399 5.854 5.854 108 2HB PRO 14 1HB DPR 14 -3.738 6.810 6.810 109 1HG PRO 14 2HG DPR 14 -3.878 4.399 4.399 110 2HG PRO 14 1HG DPR 14 -5.177 5.484 5.484 111 1HD PRO 14 2HD DPR 14 -4.781 2.870 2.870 112 2HD PRO 14 1HD DPR 14 -5.899 4.082 4.082 113 H ALA 15 H ALA 15 -1.924 5.495 5.495 114 HA ALA 15 HA ALA 15 -3.489 7.879 7.879 115 1HB ALA 15 2HB ALA 15 -0.996 8.042 8.042 116 2HB ALA 15 1HB ALA 15 -0.915 6.803 6.803 117 3HB ALA 15 3HB ALA 15 -1.661 8.351 8.351 118 H LEU 16 H LEU 16 -3.446 4.539 4.539 119 HA LEU 16 HA LEU 16 -3.740 4.490 4.490 120 1HB LEU 16 2HB LEU 16 -4.950 2.888 2.888 121 2HB LEU 16 1HB LEU 16 -5.513 2.594 2.594 122 HG LEU 16 HG LEU 16 -3.549 1.152 1.152 123 1HD1 LEU 16 3HD1 LEU 16 -3.455 2.688 2.688 124 2HD1 LEU 16 2HD1 LEU 16 -2.420 1.314 1.314 125 3HD1 LEU 16 1HD1 LEU 16 -4.155 1.106 1.106 126 1HD2 LEU 16 3HD2 LEU 16 -2.146 2.942 2.942 127 2HD2 LEU 16 2HD2 LEU 16 -1.293 2.028 2.028 128 3HD2 LEU 16 1HD2 LEU 16 -1.894 3.626 3.626 129 H ILE 17 H ILE 17 -6.170 5.249 5.249 130 HA ILE 17 HA ILE 17 -8.401 5.489 5.489 131 HB ILE 17 HB ILE 17 -9.019 7.211 7.211 132 1HG1 ILE 17 2HG1 ILE 17 -7.909 6.668 6.668 133 2HG1 ILE 17 1HG1 ILE 17 -6.677 5.747 5.747 134 1HG2 ILE 17 3HG2 ILE 17 -8.669 4.233 4.233 135 2HG2 ILE 17 2HG2 ILE 17 -9.655 5.272 5.272 136 3HG2 ILE 17 1HG2 ILE 17 -10.082 5.045 5.045 137 1HD1 ILE 17 2HD1 ILE 17 -7.209 8.604 8.604 138 2HD1 ILE 17 1HD1 ILE 17 -6.303 8.262 8.262 139 3HD1 ILE 17 3HD1 ILE 17 -5.712 7.677 7.677 140 H SER 18 H SER 18 -5.710 7.554 7.554 141 HA SER 18 HA SER 18 -6.977 9.786 9.786 142 1HB SER 18 2HB SER 18 -5.547 9.990 9.990 143 2HB SER 18 1HB SER 18 -4.184 10.016 10.016 144 HG SER 18 HG SER 18 -6.062 11.926 11.926 145 H TRP 19 H TRP 19 -5.452 7.125 7.125 146 HA TRP 19 HA TRP 19 -3.716 8.233 8.233 147 1HB TRP 19 2HB TRP 19 -3.222 6.202 6.202 148 2HB TRP 19 1HB TRP 19 -3.760 5.248 5.248 149 HD1 TRP 19 HD1 TRP 19 -0.741 6.329 6.329 150 HE1 TRP 19 HE1 TRP 19 1.230 6.482 6.482 151 HE3 TRP 19 HE3 TRP 19 -3.304 6.246 6.246 152 HZ2 TRP 19 HZ2 TRP 19 1.632 6.534 6.534 153 HZ3 TRP 19 HZ3 TRP 19 -2.025 6.341 6.341 154 HH2 TRP 19 HH2 TRP 19 0.448 6.481 6.481 155 H ILE 20 H ILE 20 -5.950 5.482 5.482 156 HA ILE 20 HA ILE 20 -6.439 5.699 5.699 157 HB ILE 20 HB ILE 20 -6.552 3.636 3.636 158 1HG1 ILE 20 2HG1 ILE 20 -6.744 3.336 3.336 159 2HG1 ILE 20 1HG1 ILE 20 -5.240 3.617 3.617 160 1HG2 ILE 20 1HG2 ILE 20 -8.971 3.960 3.960 161 2HG2 ILE 20 3HG2 ILE 20 -8.604 2.452 2.452 162 3HG2 ILE 20 2HG2 ILE 20 -8.977 3.901 3.901 163 1HD1 ILE 20 2HD1 ILE 20 -5.829 1.515 1.515 164 2HD1 ILE 20 1HD1 ILE 20 -7.042 1.179 1.179 165 3HD1 ILE 20 3HD1 ILE 20 -5.350 1.254 1.254 166 H LYS 21 H LYS 21 -8.256 6.000 6.000 167 HA LYS 21 HA LYS 21 -10.741 6.531 6.531 168 1HB LYS 21 2HB LYS 21 -9.951 6.298 6.298 169 2HB LYS 21 1HB LYS 21 -10.413 7.981 7.981 170 1HG LYS 21 2HG LYS 21 -12.573 7.364 7.364 171 2HG LYS 21 1HG LYS 21 -12.140 5.668 5.668 172 1HD LYS 21 2HD LYS 21 -12.220 5.472 5.472 173 2HD LYS 21 1HD LYS 21 -12.075 7.196 7.196 174 1HE LYS 21 2HE LYS 21 -14.457 6.456 6.456 175 2HE LYS 21 1HE LYS 21 -14.491 5.714 5.714 176 1HZ LYS 21 3HZ LYS 21 -13.708 8.415 8.415 177 2HZ LYS 21 2HZ LYS 21 -15.018 8.342 8.342 178 3HZ LYS 21 1HZ LYS 21 -15.168 7.694 7.694 179 H ARG 22 H ARG 22 -7.976 8.451 8.451 180 HA ARG 22 HA ARG 22 -9.249 10.977 10.977 181 1HB ARG 22 2HB ARG 22 -7.253 10.523 10.523 182 2HB ARG 22 1HB ARG 22 -6.274 10.335 10.335 183 1HG ARG 22 2HG ARG 22 -7.936 12.844 12.844 184 2HG ARG 22 1HG ARG 22 -6.742 12.713 12.713 185 1HD ARG 22 2HD ARG 22 -5.023 12.134 12.134 186 2HD ARG 22 1HD ARG 22 -6.245 12.688 12.688 187 HE ARG 22 HE ARG 22 -5.177 14.429 14.429 188 1HH1 ARG 22 1HH2 ARG 22 -7.401 15.581 15.581 189 2HH1 ARG 22 2HH2 ARG 22 -6.721 16.508 16.508 190 1HH2 ARG 22 2HH1 ARG 22 -3.680 14.690 14.690 191 2HH2 ARG 22 1HH1 ARG 22 -4.436 15.949 15.949 192 H LYS 23 H LYS 23 -7.870 8.449 8.449 193 HA LYS 23 HA LYS 23 -7.272 10.159 10.159 194 1HB LYS 23 2HB LYS 23 -5.871 8.084 8.084 195 2HB LYS 23 1HB LYS 23 -7.177 7.095 7.095 196 1HG LYS 23 2HG LYS 23 -5.859 9.262 9.262 197 2HG LYS 23 1HG LYS 23 -5.081 7.713 7.713 198 1HD LYS 23 2HD LYS 23 -7.893 8.172 8.172 199 2HD LYS 23 1HD LYS 23 -6.442 7.888 7.888 200 1HE LYS 23 2HE LYS 23 -6.315 5.689 5.689 201 2HE LYS 23 1HE LYS 23 -8.047 5.968 5.968 202 1HZ LYS 23 1HZ LYS 23 -7.283 6.181 6.181 203 2HZ LYS 23 3HZ LYS 23 -6.561 4.795 4.795 204 3HZ LYS 23 2HZ LYS 23 -8.239 4.986 4.986 205 H ARG 24 H ARG 24 -9.493 7.653 7.653 206 HA ARG 24 HA ARG 24 -11.045 7.632 7.632 207 1HB ARG 24 2HB ARG 24 -10.929 5.877 5.877 208 2HB ARG 24 1HB ARG 24 -12.296 6.821 6.821 209 1HG ARG 24 2HG ARG 24 -13.261 6.514 6.514 210 2HG ARG 24 1HG ARG 24 -12.050 5.269 5.269 211 1HD ARG 24 2HD ARG 24 -13.258 4.595 4.595 212 2HD ARG 24 1HD ARG 24 -14.587 5.221 5.221 213 HE ARG 24 HE ARG 24 -13.976 3.543 3.543 214 1HH1 ARG 24 1HH2 ARG 24 -11.455 3.180 3.180 215 2HH1 ARG 24 2HH2 ARG 24 -11.628 1.532 1.532 216 1HH2 ARG 24 2HH1 ARG 24 -15.018 1.551 1.551 217 2HH2 ARG 24 1HH1 ARG 24 -13.848 0.533 0.533 218 H GLN 25 H GLN 25 -11.555 9.144 9.144 219 HA GLN 25 HA GLN 25 -13.964 10.512 10.512 220 1HB GLN 25 2HB GLN 25 -12.494 10.854 10.854 221 2HB GLN 25 1HB GLN 25 -14.101 11.428 11.428 222 1HG GLN 25 2HG GLN 25 -14.566 8.812 8.812 223 2HG GLN 25 1HG GLN 25 -13.149 8.573 8.573 224 1HE2 GLN 25 2HE2 GLN 25 -16.377 10.313 10.313 225 2HE2 GLN 25 1HE2 GLN 25 -16.013 10.764 10.764 226 H GLN 26 H GLN 26 -12.521 11.293 11.293 227 HA GLN 26 HA GLN 26 -11.276 13.911 13.911 228 1HB GLN 26 2HB GLN 26 -9.700 12.039 12.039 229 2HB GLN 26 1HB GLN 26 -10.512 12.146 12.146 230 1HG GLN 26 2HG GLN 26 -9.785 14.852 14.852 231 2HG GLN 26 1HG GLN 26 -8.393 13.844 13.844 232 1HE2 GLN 26 2HE2 GLN 26 -7.572 14.273 14.273 233 2HE2 GLN 26 1HE2 GLN 26 -7.103 14.468 14.468 234 1HN NH2 27 1HT GLN 26 -11.434 13.543 13.543 235 2HN NH2 27 2HT GLN 26 -12.910 14.348 14.348 Start of MODEL 3 1 1H GLY 1 1H GLY 1 4.834 -2.860 -2.860 2 2H GLY 1 3H GLY 1 6.078 -2.426 -2.426 3 3H GLY 1 2H GLY 1 5.843 -4.057 -4.057 4 1HA GLY 1 2HA GLY 1 4.370 -4.297 -4.297 5 2HA GLY 1 1HA GLY 1 4.593 -2.585 -2.585 6 H ILE 2 H ILE 2 2.076 -3.262 -3.262 7 HA ILE 2 HA ILE 2 0.616 -2.510 -2.510 8 HB ILE 2 HB ILE 2 -1.286 -3.815 -3.815 9 1HG1 ILE 2 2HG1 ILE 2 0.064 -5.225 -5.225 10 2HG1 ILE 2 1HG1 ILE 2 0.053 -3.519 -3.519 11 1HG2 ILE 2 2HG2 ILE 2 0.547 -4.948 -4.948 12 2HG2 ILE 2 1HG2 ILE 2 1.209 -5.530 -5.530 13 3HG2 ILE 2 3HG2 ILE 2 -0.399 -6.014 -6.014 14 1HD1 ILE 2 2HD1 ILE 2 -2.449 -5.042 -5.042 15 2HD1 ILE 2 1HD1 ILE 2 -1.963 -4.789 -4.789 16 3HD1 ILE 2 3HD1 ILE 2 -2.370 -3.413 -3.413 17 H GLY 3 H GLY 3 -1.831 -2.047 -2.047 18 1HA GLY 3 2HA GLY 3 -2.576 -0.533 -0.533 19 2HA GLY 3 1HA GLY 3 -1.091 0.397 0.397 20 H ALA 4 H ALA 4 -0.792 1.237 1.237 21 HA ALA 4 HA ALA 4 -3.333 2.551 2.551 22 1HB ALA 4 1HB ALA 4 -1.032 3.792 3.792 23 2HB ALA 4 3HB ALA 4 -0.599 3.168 3.168 24 3HB ALA 4 2HB ALA 4 -1.993 4.211 4.211 25 H VAL 5 H VAL 5 -0.685 0.742 0.742 26 HA VAL 5 HA VAL 5 -1.004 0.394 0.394 27 HB VAL 5 HB VAL 5 -0.763 -2.047 -2.047 28 1HG1 VAL 5 1HG1 VAL 5 0.286 -1.360 -1.360 29 2HG1 VAL 5 3HG1 VAL 5 0.975 -2.665 -2.665 30 3HG1 VAL 5 2HG1 VAL 5 -0.707 -2.718 -2.718 31 1HG2 VAL 5 1HG2 VAL 5 1.222 0.198 0.198 32 2HG2 VAL 5 3HG2 VAL 5 0.785 -0.479 -0.479 33 3HG2 VAL 5 2HG2 VAL 5 1.776 -1.397 -1.397 34 H LEU 6 H LEU 6 -3.306 -0.903 -0.903 35 HA LEU 6 HA LEU 6 -4.758 -2.461 -2.461 36 1HB LEU 6 2HB LEU 6 -5.948 -1.519 -1.519 37 2HB LEU 6 1HB LEU 6 -6.315 -2.976 -2.976 38 HG LEU 6 HG LEU 6 -3.523 -2.539 -2.539 39 1HD1 LEU 6 1HD1 LEU 6 -5.225 -2.335 -2.335 40 2HD1 LEU 6 3HD1 LEU 6 -5.862 -3.908 -3.908 41 3HD1 LEU 6 2HD1 LEU 6 -4.225 -3.765 -3.765 42 1HD2 LEU 6 3HD2 LEU 6 -5.107 -4.967 -4.967 43 2HD2 LEU 6 2HD2 LEU 6 -3.603 -4.358 -4.358 44 3HD2 LEU 6 1HD2 LEU 6 -3.620 -5.106 -5.106 45 H LYS 7 H LYS 7 -5.347 0.546 0.546 46 HA LYS 7 HA LYS 7 -7.772 1.351 1.351 47 1HB LYS 7 2HB LYS 7 -5.838 2.607 2.607 48 2HB LYS 7 1HB LYS 7 -5.687 3.513 3.513 49 1HG LYS 7 2HG LYS 7 -8.198 3.837 3.837 50 2HG LYS 7 1HG LYS 7 -8.239 3.062 3.062 51 1HD LYS 7 2HD LYS 7 -7.254 4.895 4.895 52 2HD LYS 7 1HD LYS 7 -6.327 5.379 5.379 53 1HE LYS 7 2HE LYS 7 -8.351 6.881 6.881 54 2HE LYS 7 1HE LYS 7 -8.113 6.593 6.593 55 1HZ LYS 7 2HZ LYS 7 -9.673 4.492 4.492 56 2HZ LYS 7 1HZ LYS 7 -10.355 5.952 5.952 57 3HZ LYS 7 3HZ LYS 7 -10.116 5.664 5.664 58 H VAL 8 H VAL 8 -4.610 1.629 1.629 59 HA VAL 8 HA VAL 8 -4.948 3.071 3.071 60 HB VAL 8 HB VAL 8 -3.278 0.519 0.519 61 1HG1 VAL 8 2HG1 VAL 8 -3.293 1.518 1.518 62 2HG1 VAL 8 1HG1 VAL 8 -2.760 3.050 3.050 63 3HG1 VAL 8 3HG1 VAL 8 -1.718 1.639 1.639 64 1HG2 VAL 8 1HG2 VAL 8 -2.850 3.356 3.356 65 2HG2 VAL 8 3HG2 VAL 8 -2.741 1.867 1.867 66 3HG2 VAL 8 2HG2 VAL 8 -1.496 2.277 2.277 67 H LEU 9 H LEU 9 -5.269 -0.417 -0.417 68 HA LEU 9 HA LEU 9 -6.390 -0.877 -0.877 69 1HB LEU 9 2HB LEU 9 -6.821 -2.853 -2.853 70 2HB LEU 9 1HB LEU 9 -6.353 -3.124 -3.124 71 HG LEU 9 HG LEU 9 -4.545 -2.071 -2.071 72 1HD1 LEU 9 2HD1 LEU 9 -4.677 -4.688 -4.688 73 2HD1 LEU 9 1HD1 LEU 9 -3.361 -4.212 -4.212 74 3HD1 LEU 9 3HD1 LEU 9 -4.985 -4.412 -4.412 75 1HD2 LEU 9 2HD2 LEU 9 -4.013 -1.120 -1.120 76 2HD2 LEU 9 1HD2 LEU 9 -2.741 -2.040 -2.040 77 3HD2 LEU 9 3HD2 LEU 9 -3.710 -2.772 -2.772 78 H THR 10 H THR 10 -7.863 0.726 0.726 79 HA THR 10 HA THR 10 -10.534 -0.538 -0.538 80 HB THR 10 HB THR 10 -10.574 1.571 1.571 81 HG1 THR 10 HG1 THR 10 -8.476 -0.238 -0.238 82 1HG2 THR 10 3HG2 THR 10 -11.085 -1.444 -1.444 83 2HG2 THR 10 2HG2 THR 10 -11.493 -0.339 -0.339 84 3HG2 THR 10 1HG2 THR 10 -12.300 -0.201 -0.201 85 H THR 11 H THR 11 -8.462 1.772 1.772 86 HA THR 11 HA THR 11 -10.628 3.607 3.607 87 HB THR 11 HB THR 11 -7.669 4.306 4.306 88 HG1 THR 11 HG1 THR 11 -9.835 3.896 3.896 89 1HG2 THR 11 3HG2 THR 11 -10.171 6.056 6.056 90 2HG2 THR 11 2HG2 THR 11 -8.537 6.616 6.616 91 3HG2 THR 11 1HG2 THR 11 -8.927 5.933 5.933 92 H GLY 12 H GLY 12 -7.201 2.585 2.585 93 1HA GLY 12 2HA GLY 12 -8.191 1.704 1.704 94 2HA GLY 12 1HA GLY 12 -7.118 3.112 3.112 95 H LEU 13 H LEU 13 -5.233 2.578 2.578 96 HA LEU 13 HA LEU 13 -3.738 0.468 0.468 97 1HB LEU 13 2HB LEU 13 -2.945 -0.522 -0.522 98 2HB LEU 13 1HB LEU 13 -4.694 -0.653 -0.653 99 HG LEU 13 HG LEU 13 -3.274 1.603 1.603 100 1HD1 LEU 13 3HD1 LEU 13 -2.622 -0.609 -0.609 101 2HD1 LEU 13 2HD1 LEU 13 -4.314 -1.009 -1.009 102 3HD1 LEU 13 1HD1 LEU 13 -3.588 0.312 0.312 103 1HD2 LEU 13 3HD2 LEU 13 -6.140 0.775 0.775 104 2HD2 LEU 13 2HD2 LEU 13 -5.495 2.370 2.370 105 3HD2 LEU 13 1HD2 LEU 13 -5.720 1.187 1.187 106 HA PRO 14 HA DPR 14 -1.009 4.030 4.030 107 1HB PRO 14 2HB DPR 14 -1.133 4.629 4.629 108 2HB PRO 14 1HB DPR 14 -1.692 6.149 6.149 109 1HG PRO 14 2HG DPR 14 -3.212 4.649 4.649 110 2HG PRO 14 1HG DPR 14 -3.915 5.726 5.726 111 1HD PRO 14 2HD DPR 14 -4.160 2.835 2.835 112 2HD PRO 14 1HD DPR 14 -4.772 3.985 3.985 113 H ALA 15 H ALA 15 -1.137 6.539 6.539 114 HA ALA 15 HA ALA 15 -2.921 8.158 8.158 115 1HB ALA 15 3HB ALA 15 -0.486 8.526 8.526 116 2HB ALA 15 2HB ALA 15 -0.394 7.412 7.412 117 3HB ALA 15 1HB ALA 15 -1.292 8.914 8.914 118 H LEU 16 H LEU 16 -2.395 5.145 5.145 119 HA LEU 16 HA LEU 16 -3.149 5.430 5.430 120 1HB LEU 16 2HB LEU 16 -3.672 3.311 3.311 121 2HB LEU 16 1HB LEU 16 -4.396 3.134 3.134 122 HG LEU 16 HG LEU 16 -2.123 2.019 2.019 123 1HD1 LEU 16 3HD1 LEU 16 -2.505 3.980 3.980 124 2HD1 LEU 16 2HD1 LEU 16 -1.335 2.675 2.675 125 3HD1 LEU 16 1HD1 LEU 16 -3.042 2.308 2.308 126 1HD2 LEU 16 1HD2 LEU 16 -0.940 3.820 3.820 127 2HD2 LEU 16 3HD2 LEU 16 -0.103 3.373 3.373 128 3HD2 LEU 16 2HD2 LEU 16 -1.039 4.852 4.852 129 H ILE 17 H ILE 17 -5.247 5.421 5.421 130 HA ILE 17 HA ILE 17 -7.729 5.272 5.272 131 HB ILE 17 HB ILE 17 -8.067 7.134 7.134 132 1HG1 ILE 17 2HG1 ILE 17 -7.203 5.520 5.520 133 2HG1 ILE 17 1HG1 ILE 17 -6.103 4.871 4.871 134 1HG2 ILE 17 3HG2 ILE 17 -9.639 5.416 5.416 135 2HG2 ILE 17 2HG2 ILE 17 -8.614 4.168 4.168 136 3HG2 ILE 17 1HG2 ILE 17 -9.405 5.348 5.348 137 1HD1 ILE 17 3HD1 ILE 17 -5.309 7.326 7.326 138 2HD1 ILE 17 2HD1 ILE 17 -6.317 7.729 7.729 139 3HD1 ILE 17 1HD1 ILE 17 -4.965 6.629 6.629 140 H SER 18 H SER 18 -5.602 7.938 7.938 141 HA SER 18 HA SER 18 -7.522 9.838 9.838 142 1HB SER 18 2HB SER 18 -5.336 10.071 10.071 143 2HB SER 18 1HB SER 18 -5.132 11.253 11.253 144 HG SER 18 HG SER 18 -7.188 10.927 10.927 145 H TRP 19 H TRP 19 -5.454 7.706 7.706 146 HA TRP 19 HA TRP 19 -4.179 9.154 9.154 147 1HB TRP 19 2HB TRP 19 -3.074 7.407 7.407 148 2HB TRP 19 1HB TRP 19 -3.610 6.218 6.218 149 HD1 TRP 19 HD1 TRP 19 -0.584 7.842 7.842 150 HE1 TRP 19 HE1 TRP 19 1.177 7.920 7.920 151 HE3 TRP 19 HE3 TRP 19 -3.564 6.847 6.847 152 HZ2 TRP 19 HZ2 TRP 19 1.312 7.618 7.618 153 HZ3 TRP 19 HZ3 TRP 19 -2.497 6.756 6.756 154 HH2 TRP 19 HH2 TRP 19 -0.070 7.139 7.139 155 H ILE 20 H ILE 20 -5.392 5.775 5.775 156 HA ILE 20 HA ILE 20 -6.537 6.057 6.057 157 HB ILE 20 HB ILE 20 -5.747 3.907 3.907 158 1HG1 ILE 20 2HG1 ILE 20 -6.588 3.749 3.749 159 2HG1 ILE 20 1HG1 ILE 20 -5.034 4.368 4.368 160 1HG2 ILE 20 1HG2 ILE 20 -8.460 3.613 3.613 161 2HG2 ILE 20 3HG2 ILE 20 -7.582 2.299 2.299 162 3HG2 ILE 20 2HG2 ILE 20 -8.189 3.648 3.648 163 1HD1 ILE 20 3HD1 ILE 20 -4.950 2.029 2.029 164 2HD1 ILE 20 2HD1 ILE 20 -6.035 1.541 1.541 165 3HD1 ILE 20 1HD1 ILE 20 -4.437 2.146 2.146 166 H LYS 21 H LYS 21 -7.905 5.943 5.943 167 HA LYS 21 HA LYS 21 -10.587 5.821 5.821 168 1HB LYS 21 2HB LYS 21 -9.376 5.778 5.778 169 2HB LYS 21 1HB LYS 21 -10.739 6.869 6.869 170 1HG LYS 21 2HG LYS 21 -11.008 4.181 4.181 171 2HG LYS 21 1HG LYS 21 -10.986 4.206 4.206 172 1HD LYS 21 2HD LYS 21 -12.809 6.198 6.198 173 2HD LYS 21 1HD LYS 21 -12.971 5.460 5.460 174 1HE LYS 21 2HE LYS 21 -14.629 4.514 4.514 175 2HE LYS 21 1HE LYS 21 -13.482 3.254 3.254 176 1HZ LYS 21 2HZ LYS 21 -12.517 4.645 4.645 177 2HZ LYS 21 1HZ LYS 21 -14.137 4.191 4.191 178 3HZ LYS 21 3HZ LYS 21 -12.988 3.024 3.024 179 H ARG 22 H ARG 22 -8.305 8.234 8.234 180 HA ARG 22 HA ARG 22 -10.321 10.415 10.415 181 1HB ARG 22 2HB ARG 22 -8.180 10.862 10.862 182 2HB ARG 22 1HB ARG 22 -7.284 10.281 10.281 183 1HG ARG 22 2HG ARG 22 -7.782 12.195 12.195 184 2HG ARG 22 1HG ARG 22 -9.115 12.692 12.692 185 1HD ARG 22 2HD ARG 22 -6.345 12.713 12.713 186 2HD ARG 22 1HD ARG 22 -6.714 13.927 13.927 187 HE ARG 22 HE ARG 22 -8.781 14.483 14.483 188 1HH1 ARG 22 2HH1 ARG 22 -7.200 12.195 12.195 189 2HH1 ARG 22 1HH1 ARG 22 -7.057 12.935 12.935 190 1HH2 ARG 22 1HH2 ARG 22 -8.070 16.066 16.066 191 2HH2 ARG 22 2HH2 ARG 22 -7.540 15.379 15.379 192 H LYS 23 H LYS 23 -7.879 9.047 9.047 193 HA LYS 23 HA LYS 23 -8.669 10.482 10.482 194 1HB LYS 23 2HB LYS 23 -6.470 9.346 9.346 195 2HB LYS 23 1HB LYS 23 -7.260 7.790 7.790 196 1HG LYS 23 2HG LYS 23 -8.069 9.337 9.337 197 2HG LYS 23 1HG LYS 23 -6.340 9.508 9.508 198 1HD LYS 23 2HD LYS 23 -6.379 7.548 7.548 199 2HD LYS 23 1HD LYS 23 -6.317 6.903 6.903 200 1HE LYS 23 2HE LYS 23 -8.024 5.632 5.632 201 2HE LYS 23 1HE LYS 23 -8.887 6.788 6.788 202 1HZ LYS 23 1HZ LYS 23 -8.455 7.994 7.994 203 2HZ LYS 23 3HZ LYS 23 -9.058 6.443 6.443 204 3HZ LYS 23 2HZ LYS 23 -9.925 7.531 7.531 205 H ARG 24 H ARG 24 -9.647 7.223 7.223 206 HA ARG 24 HA ARG 24 -11.088 6.427 6.427 207 1HB ARG 24 2HB ARG 24 -10.829 5.283 5.283 208 2HB ARG 24 1HB ARG 24 -12.437 5.951 5.951 209 1HG ARG 24 2HG ARG 24 -12.825 4.863 4.863 210 2HG ARG 24 1HG ARG 24 -11.407 3.927 3.927 211 1HD ARG 24 2HD ARG 24 -12.563 2.577 2.577 212 2HD ARG 24 1HD ARG 24 -13.419 3.908 3.908 213 HE ARG 24 HE ARG 24 -14.228 2.727 2.727 214 1HH1 ARG 24 1HH2 ARG 24 -15.068 5.345 5.345 215 2HH1 ARG 24 2HH2 ARG 24 -16.664 4.983 4.983 216 1HH2 ARG 24 2HH1 ARG 24 -16.077 1.489 1.489 217 2HH2 ARG 24 1HH1 ARG 24 -17.279 2.596 2.596 218 H GLN 25 H GLN 25 -12.012 8.892 8.892 219 HA GLN 25 HA GLN 25 -14.692 9.092 9.092 220 1HB GLN 25 2HB GLN 25 -15.030 10.860 10.860 221 2HB GLN 25 1HB GLN 25 -15.088 9.163 9.163 222 1HG GLN 25 2HG GLN 25 -12.770 9.189 9.189 223 2HG GLN 25 1HG GLN 25 -12.599 10.876 10.876 224 1HE2 GLN 25 2HE2 GLN 25 -13.812 11.897 11.897 225 2HE2 GLN 25 1HE2 GLN 25 -12.744 12.193 12.193 226 H GLN 26 H GLN 26 -11.695 10.778 10.778 227 HA GLN 26 HA GLN 26 -12.665 13.015 13.015 228 1HB GLN 26 2HB GLN 26 -10.307 13.039 13.039 229 2HB GLN 26 1HB GLN 26 -10.932 14.410 14.410 230 1HG GLN 26 2HG GLN 26 -13.126 14.173 14.173 231 2HG GLN 26 1HG GLN 26 -12.419 12.865 12.865 232 1HE2 GLN 26 2HE2 GLN 26 -11.304 16.693 16.693 233 2HE2 GLN 26 1HE2 GLN 26 -12.154 16.367 16.367 234 1HN NH2 27 1HT GLN 26 -12.109 11.980 11.980 235 2HN NH2 27 2HT GLN 26 -10.505 11.587 11.587 Start of MODEL 4 1 1H GLY 1 3H GLY 1 4.678 -4.045 -4.045 2 2H GLY 1 2H GLY 1 5.894 -3.256 -3.256 3 3H GLY 1 1H GLY 1 5.386 -4.820 -4.820 4 1HA GLY 1 2HA GLY 1 3.807 -3.953 -3.953 5 2HA GLY 1 1HA GLY 1 4.313 -2.322 -2.322 6 H ILE 2 H ILE 2 1.556 -2.937 -2.937 7 HA ILE 2 HA ILE 2 0.642 -2.952 -2.952 8 HB ILE 2 HB ILE 2 -1.555 -3.878 -3.878 9 1HG1 ILE 2 2HG1 ILE 2 0.555 -4.892 -4.892 10 2HG1 ILE 2 1HG1 ILE 2 -0.585 -3.620 -3.620 11 1HG2 ILE 2 2HG2 ILE 2 1.002 -5.385 -5.385 12 2HG2 ILE 2 1HG2 ILE 2 -0.476 -6.243 -6.243 13 3HG2 ILE 2 3HG2 ILE 2 -0.416 -5.165 -5.165 14 1HD1 ILE 2 1HD1 ILE 2 -1.855 -6.092 -6.092 15 2HD1 ILE 2 3HD1 ILE 2 -1.050 -6.283 -6.283 16 3HD1 ILE 2 2HD1 ILE 2 -2.318 -5.090 -5.090 17 H GLY 3 H GLY 3 0.432 -1.372 -1.372 18 1HA GLY 3 2HA GLY 3 -1.521 0.170 0.170 19 2HA GLY 3 1HA GLY 3 -0.031 1.007 1.007 20 H ALA 4 H ALA 4 0.195 1.408 1.408 21 HA ALA 4 HA ALA 4 -2.337 2.752 2.752 22 1HB ALA 4 1HB ALA 4 0.526 3.082 3.082 23 2HB ALA 4 3HB ALA 4 -0.867 3.968 3.968 24 3HB ALA 4 2HB ALA 4 -0.342 4.191 4.191 25 H VAL 5 H VAL 5 -0.071 0.325 0.325 26 HA VAL 5 HA VAL 5 -0.702 -0.103 -0.103 27 HB VAL 5 HB VAL 5 -0.244 -2.466 -2.466 28 1HG1 VAL 5 3HG1 VAL 5 -0.381 -2.850 -2.850 29 2HG1 VAL 5 2HG1 VAL 5 0.924 -1.710 -1.710 30 3HG1 VAL 5 1HG1 VAL 5 1.235 -3.216 -3.216 31 1HG2 VAL 5 3HG2 VAL 5 1.783 -0.255 -0.255 32 2HG2 VAL 5 2HG2 VAL 5 1.391 -0.936 -0.936 33 3HG2 VAL 5 1HG2 VAL 5 2.297 -1.882 -1.882 34 H LEU 6 H LEU 6 -2.500 -0.787 -0.787 35 HA LEU 6 HA LEU 6 -4.459 -2.482 -2.482 36 1HB LEU 6 2HB LEU 6 -4.276 -1.535 -1.535 37 2HB LEU 6 1HB LEU 6 -5.663 -2.422 -2.422 38 HG LEU 6 HG LEU 6 -2.807 -3.393 -3.393 39 1HD1 LEU 6 3HD1 LEU 6 -5.053 -4.097 -4.097 40 2HD1 LEU 6 2HD1 LEU 6 -3.541 -4.975 -4.975 41 3HD1 LEU 6 1HD1 LEU 6 -3.549 -3.290 -3.290 42 1HD2 LEU 6 2HD2 LEU 6 -5.438 -4.487 -4.487 43 2HD2 LEU 6 1HD2 LEU 6 -3.825 -4.737 -4.737 44 3HD2 LEU 6 3HD2 LEU 6 -4.353 -5.647 -5.647 45 H LYS 7 H LYS 7 -4.079 0.804 0.804 46 HA LYS 7 HA LYS 7 -6.997 1.336 1.336 47 1HB LYS 7 2HB LYS 7 -4.787 2.727 2.727 48 2HB LYS 7 1HB LYS 7 -5.708 3.820 3.820 49 1HG LYS 7 2HG LYS 7 -6.985 1.899 1.899 50 2HG LYS 7 1HG LYS 7 -6.580 3.560 3.560 51 1HD LYS 7 2HD LYS 7 -8.258 4.476 4.476 52 2HD LYS 7 1HD LYS 7 -8.240 3.135 3.135 53 1HE LYS 7 2HE LYS 7 -10.322 2.910 2.910 54 2HE LYS 7 1HE LYS 7 -9.312 1.694 1.694 55 1HZ LYS 7 2HZ LYS 7 -8.961 4.107 4.107 56 2HZ LYS 7 1HZ LYS 7 -10.634 3.841 3.841 57 3HZ LYS 7 3HZ LYS 7 -9.639 2.669 2.669 58 H VAL 8 H VAL 8 -4.472 0.885 0.885 59 HA VAL 8 HA VAL 8 -5.020 3.019 3.019 60 HB VAL 8 HB VAL 8 -2.958 0.788 0.788 61 1HG1 VAL 8 2HG1 VAL 8 -3.459 0.899 0.899 62 2HG1 VAL 8 1HG1 VAL 8 -2.850 2.550 2.550 63 3HG1 VAL 8 3HG1 VAL 8 -1.805 1.217 1.217 64 1HG2 VAL 8 3HG2 VAL 8 -2.941 3.272 3.272 65 2HG2 VAL 8 2HG2 VAL 8 -1.473 2.438 2.438 66 3HG2 VAL 8 1HG2 VAL 8 -2.149 3.640 3.640 67 H LEU 9 H LEU 9 -5.142 -0.473 -0.473 68 HA LEU 9 HA LEU 9 -6.515 -0.687 -0.687 69 1HB LEU 9 2HB LEU 9 -6.234 -2.945 -2.945 70 2HB LEU 9 1HB LEU 9 -4.763 -2.232 -2.232 71 HG LEU 9 HG LEU 9 -6.969 -3.688 -3.688 72 1HD1 LEU 9 3HD1 LEU 9 -4.917 -4.765 -4.765 73 2HD1 LEU 9 2HD1 LEU 9 -3.929 -3.816 -3.816 74 3HD1 LEU 9 1HD1 LEU 9 -5.062 -5.014 -5.014 75 1HD2 LEU 9 1HD2 LEU 9 -4.842 -1.952 -1.952 76 2HD2 LEU 9 3HD2 LEU 9 -6.567 -1.587 -1.587 77 3HD2 LEU 9 2HD2 LEU 9 -5.977 -3.012 -3.012 78 H THR 10 H THR 10 -7.690 0.522 0.522 79 HA THR 10 HA THR 10 -10.106 -1.141 -1.141 80 HB THR 10 HB THR 10 -10.004 1.337 1.337 81 HG1 THR 10 HG1 THR 10 -7.818 -0.299 -0.299 82 1HG2 THR 10 3HG2 THR 10 -9.599 -1.651 -1.651 83 2HG2 THR 10 2HG2 THR 10 -9.758 -0.378 -0.378 84 3HG2 THR 10 1HG2 THR 10 -11.099 -0.758 -0.758 85 H THR 11 H THR 11 -8.960 1.605 1.605 86 HA THR 11 HA THR 11 -11.773 2.329 2.329 87 HB THR 11 HB THR 11 -9.389 4.303 4.303 88 HG1 THR 11 HG1 THR 11 -11.455 4.498 4.498 89 1HG2 THR 11 3HG2 THR 11 -11.459 4.907 4.907 90 2HG2 THR 11 2HG2 THR 11 -12.456 4.776 4.776 91 3HG2 THR 11 1HG2 THR 11 -11.201 6.004 6.004 92 H GLY 12 H GLY 12 -8.396 2.796 2.796 93 1HA GLY 12 2HA GLY 12 -9.139 1.588 1.588 94 2HA GLY 12 1HA GLY 12 -8.454 3.207 3.207 95 H LEU 13 H LEU 13 -6.410 3.220 3.220 96 HA LEU 13 HA LEU 13 -4.481 1.384 1.384 97 1HB LEU 13 2HB LEU 13 -5.146 1.430 1.430 98 2HB LEU 13 1HB LEU 13 -3.439 1.369 1.369 99 HG LEU 13 HG LEU 13 -4.842 -0.575 -0.575 100 1HD1 LEU 13 1HD1 LEU 13 -5.494 -0.652 -0.652 101 2HD1 LEU 13 3HD1 LEU 13 -5.580 -2.064 -2.064 102 3HD1 LEU 13 2HD1 LEU 13 -6.611 -0.682 -0.682 103 1HD2 LEU 13 3HD2 LEU 13 -2.407 -0.593 -0.593 104 2HD2 LEU 13 2HD2 LEU 13 -3.251 -2.108 -2.108 105 3HD2 LEU 13 1HD2 LEU 13 -2.970 -1.045 -1.045 106 HA PRO 14 HA DPR 14 -2.160 5.057 5.057 107 1HB PRO 14 2HB DPR 14 -2.686 6.108 6.108 108 2HB PRO 14 1HB DPR 14 -4.137 6.821 6.821 109 1HG PRO 14 2HG DPR 14 -3.886 4.314 4.314 110 2HG PRO 14 1HG DPR 14 -5.309 5.297 5.297 111 1HD PRO 14 2HD DPR 14 -4.873 2.831 2.831 112 2HD PRO 14 1HD DPR 14 -5.923 4.099 4.099 113 H ALA 15 H ALA 15 -1.917 5.766 5.766 114 HA ALA 15 HA ALA 15 -3.661 8.037 8.037 115 1HB ALA 15 3HB ALA 15 -1.226 8.448 8.448 116 2HB ALA 15 2HB ALA 15 -0.940 7.233 7.233 117 3HB ALA 15 1HB ALA 15 -1.822 8.701 8.701 118 H LEU 16 H LEU 16 -3.261 4.764 4.764 119 HA LEU 16 HA LEU 16 -3.451 4.692 4.692 120 1HB LEU 16 2HB LEU 16 -4.601 3.040 3.040 121 2HB LEU 16 1HB LEU 16 -5.114 2.672 2.672 122 HG LEU 16 HG LEU 16 -3.076 1.381 1.381 123 1HD1 LEU 16 2HD1 LEU 16 -3.725 1.417 1.417 124 2HD1 LEU 16 1HD1 LEU 16 -2.725 2.843 2.843 125 3HD1 LEU 16 3HD1 LEU 16 -1.989 1.316 1.316 126 1HD2 LEU 16 2HD2 LEU 16 -1.803 3.255 3.255 127 2HD2 LEU 16 1HD2 LEU 16 -0.869 2.422 2.422 128 3HD2 LEU 16 3HD2 LEU 16 -1.588 3.973 3.973 129 H ILE 17 H ILE 17 -6.125 5.233 5.233 130 HA ILE 17 HA ILE 17 -8.195 5.281 5.281 131 HB ILE 17 HB ILE 17 -9.149 6.892 6.892 132 1HG1 ILE 17 2HG1 ILE 17 -8.313 6.176 6.176 133 2HG1 ILE 17 1HG1 ILE 17 -7.043 5.223 5.223 134 1HG2 ILE 17 3HG2 ILE 17 -10.007 4.635 4.635 135 2HG2 ILE 17 2HG2 ILE 17 -8.763 3.886 3.886 136 3HG2 ILE 17 1HG2 ILE 17 -10.024 4.852 4.852 137 1HD1 ILE 17 3HD1 ILE 17 -7.277 8.139 8.139 138 2HD1 ILE 17 2HD1 ILE 17 -6.645 7.714 7.714 139 3HD1 ILE 17 1HD1 ILE 17 -5.827 7.153 7.153 140 H SER 18 H SER 18 -5.810 7.590 7.590 141 HA SER 18 HA SER 18 -7.208 9.705 9.705 142 1HB SER 18 2HB SER 18 -4.693 9.840 9.840 143 2HB SER 18 1HB SER 18 -5.514 11.228 11.228 144 HG SER 18 HG SER 18 -6.170 9.989 9.989 145 H TRP 19 H TRP 19 -5.398 7.241 7.241 146 HA TRP 19 HA TRP 19 -3.601 8.499 8.499 147 1HB TRP 19 2HB TRP 19 -3.092 6.481 6.481 148 2HB TRP 19 1HB TRP 19 -3.494 5.500 5.500 149 HD1 TRP 19 HD1 TRP 19 -0.584 6.473 6.473 150 HE1 TRP 19 HE1 TRP 19 1.497 6.662 6.662 151 HE3 TRP 19 HE3 TRP 19 -2.850 6.783 6.783 152 HZ2 TRP 19 HZ2 TRP 19 2.081 6.927 6.927 153 HZ3 TRP 19 HZ3 TRP 19 -1.409 7.024 7.024 154 HH2 TRP 19 HH2 TRP 19 1.037 7.093 7.093 155 H ILE 20 H ILE 20 -5.712 5.619 5.619 156 HA ILE 20 HA ILE 20 -6.126 5.847 5.847 157 HB ILE 20 HB ILE 20 -6.163 3.744 3.744 158 1HG1 ILE 20 2HG1 ILE 20 -4.770 3.869 3.869 159 2HG1 ILE 20 1HG1 ILE 20 -5.567 2.341 2.341 160 1HG2 ILE 20 1HG2 ILE 20 -8.566 3.879 3.879 161 2HG2 ILE 20 3HG2 ILE 20 -7.984 2.391 2.391 162 3HG2 ILE 20 2HG2 ILE 20 -8.546 3.712 3.712 163 1HD1 ILE 20 2HD1 ILE 20 -6.904 4.447 4.447 164 2HD1 ILE 20 1HD1 ILE 20 -5.701 3.335 3.335 165 3HD1 ILE 20 3HD1 ILE 20 -7.182 2.716 2.716 166 H LYS 21 H LYS 21 -8.091 5.792 5.792 167 HA LYS 21 HA LYS 21 -10.547 6.389 6.389 168 1HB LYS 21 2HB LYS 21 -9.635 6.004 6.004 169 2HB LYS 21 1HB LYS 21 -10.649 7.416 7.416 170 1HG LYS 21 2HG LYS 21 -11.574 4.936 4.936 171 2HG LYS 21 1HG LYS 21 -11.569 4.854 4.854 172 1HD LYS 21 2HD LYS 21 -12.920 7.088 7.088 173 2HD LYS 21 1HD LYS 21 -13.768 5.662 5.662 174 1HE LYS 21 2HE LYS 21 -12.288 6.865 6.865 175 2HE LYS 21 1HE LYS 21 -13.226 8.103 8.103 176 1HZ LYS 21 2HZ LYS 21 -14.883 5.842 5.842 177 2HZ LYS 21 1HZ LYS 21 -14.137 6.112 6.112 178 3HZ LYS 21 3HZ LYS 21 -15.039 7.340 7.340 179 H ARG 22 H ARG 22 -7.847 8.335 8.335 180 HA ARG 22 HA ARG 22 -9.430 10.853 10.853 181 1HB ARG 22 2HB ARG 22 -7.398 10.706 10.706 182 2HB ARG 22 1HB ARG 22 -6.456 10.192 10.192 183 1HG ARG 22 2HG ARG 22 -6.787 12.428 12.428 184 2HG ARG 22 1HG ARG 22 -7.831 12.933 12.933 185 1HD ARG 22 2HD ARG 22 -5.941 12.678 12.678 186 2HD ARG 22 1HD ARG 22 -4.910 12.090 12.090 187 HE ARG 22 HE ARG 22 -6.028 14.886 14.886 188 1HH1 ARG 22 2HH1 ARG 22 -4.859 14.680 14.680 189 2HH1 ARG 22 1HH1 ARG 22 -3.157 14.831 14.831 190 1HH2 ARG 22 1HH2 ARG 22 -3.400 14.167 14.167 191 2HH2 ARG 22 2HH2 ARG 22 -2.250 14.585 14.585 192 H LYS 23 H LYS 23 -7.840 8.629 8.629 193 HA LYS 23 HA LYS 23 -7.863 10.493 10.493 194 1HB LYS 23 2HB LYS 23 -7.004 7.578 7.578 195 2HB LYS 23 1HB LYS 23 -6.934 8.419 8.419 196 1HG LYS 23 2HG LYS 23 -5.389 10.072 10.072 197 2HG LYS 23 1HG LYS 23 -5.625 9.623 9.623 198 1HD LYS 23 2HD LYS 23 -3.560 8.719 8.719 199 2HD LYS 23 1HD LYS 23 -3.708 8.542 8.542 200 1HE LYS 23 2HE LYS 23 -3.611 6.294 6.294 201 2HE LYS 23 1HE LYS 23 -5.333 6.511 6.511 202 1HZ LYS 23 2HZ LYS 23 -4.354 7.225 7.225 203 2HZ LYS 23 1HZ LYS 23 -3.642 5.741 5.741 204 3HZ LYS 23 3HZ LYS 23 -5.319 5.896 5.896 205 H ARG 24 H ARG 24 -9.181 7.256 7.256 206 HA ARG 24 HA ARG 24 -11.064 7.111 7.111 207 1HB ARG 24 2HB ARG 24 -10.896 5.923 5.923 208 2HB ARG 24 1HB ARG 24 -12.343 5.622 5.622 209 1HG ARG 24 2HG ARG 24 -9.539 5.093 5.093 210 2HG ARG 24 1HG ARG 24 -10.449 3.871 3.871 211 1HD ARG 24 2HD ARG 24 -11.141 5.166 5.166 212 2HD ARG 24 1HD ARG 24 -10.821 3.478 3.478 213 HE ARG 24 HE ARG 24 -13.010 3.588 3.588 214 1HH1 ARG 24 1HH2 ARG 24 -13.797 6.251 6.251 215 2HH1 ARG 24 2HH2 ARG 24 -14.796 6.293 6.293 216 1HH2 ARG 24 2HH1 ARG 24 -13.448 3.124 3.124 217 2HH2 ARG 24 1HH1 ARG 24 -14.565 4.341 4.341 218 H GLN 25 H GLN 25 -11.215 9.586 9.586 219 HA GLN 25 HA GLN 25 -14.158 9.645 9.645 220 1HB GLN 25 2HB GLN 25 -11.833 11.132 11.132 221 2HB GLN 25 1HB GLN 25 -13.175 12.164 12.164 222 1HG GLN 25 2HG GLN 25 -14.579 10.254 10.254 223 2HG GLN 25 1HG GLN 25 -13.029 9.967 9.967 224 1HE2 GLN 25 2HE2 GLN 25 -14.717 12.548 12.548 225 2HE2 GLN 25 1HE2 GLN 25 -14.974 10.901 10.901 226 H GLN 26 H GLN 26 -11.586 10.768 10.768 227 HA GLN 26 HA GLN 26 -13.410 12.267 12.267 228 1HB GLN 26 2HB GLN 26 -11.244 13.734 13.734 229 2HB GLN 26 1HB GLN 26 -12.152 14.017 14.017 230 1HG GLN 26 2HG GLN 26 -10.332 13.656 13.656 231 2HG GLN 26 1HG GLN 26 -10.225 12.012 12.012 232 1HE2 GLN 26 2HE2 GLN 26 -7.437 14.511 14.511 233 2HE2 GLN 26 1HE2 GLN 26 -8.539 14.983 14.983 234 1HN NH2 27 1HT GLN 26 -10.196 12.218 12.218 235 2HN NH2 27 2HT GLN 26 -10.361 10.825 10.825 Start of MODEL 5 1 1H GLY 1 3H GLY 1 4.598 -3.136 -3.136 2 2H GLY 1 2H GLY 1 5.606 -2.472 -2.472 3 3H GLY 1 1H GLY 1 5.631 -4.149 -4.149 4 1HA GLY 1 2HA GLY 1 3.964 -4.467 -4.467 5 2HA GLY 1 1HA GLY 1 3.962 -2.718 -2.718 6 H ILE 2 H ILE 2 1.424 -3.736 -3.736 7 HA ILE 2 HA ILE 2 0.402 -3.309 -3.309 8 HB ILE 2 HB ILE 2 -1.726 -4.444 -4.444 9 1HG1 ILE 2 2HG1 ILE 2 -1.198 -6.097 -6.097 10 2HG1 ILE 2 1HG1 ILE 2 0.310 -5.296 -5.296 11 1HG2 ILE 2 3HG2 ILE 2 0.876 -5.970 -5.970 12 2HG2 ILE 2 2HG2 ILE 2 -0.708 -6.716 -6.716 13 3HG2 ILE 2 1HG2 ILE 2 -0.319 -5.558 -5.558 14 1HD1 ILE 2 3HD1 ILE 2 -2.105 -3.508 -3.508 15 2HD1 ILE 2 2HD1 ILE 2 -2.102 -4.765 -4.765 16 3HD1 ILE 2 1HD1 ILE 2 -0.793 -3.612 -3.612 17 H GLY 3 H GLY 3 0.179 -2.139 -2.139 18 1HA GLY 3 2HA GLY 3 -1.865 -0.757 -0.757 19 2HA GLY 3 1HA GLY 3 -0.376 0.138 0.138 20 H ALA 4 H ALA 4 -0.114 0.631 0.631 21 HA ALA 4 HA ALA 4 -2.424 2.413 2.413 22 1HB ALA 4 3HB ALA 4 -0.179 3.487 3.487 23 2HB ALA 4 2HB ALA 4 0.405 2.423 2.423 24 3HB ALA 4 1HB ALA 4 -0.841 3.607 3.607 25 H VAL 5 H VAL 5 -0.555 -0.228 -0.228 26 HA VAL 5 HA VAL 5 -1.342 -0.138 -0.138 27 HB VAL 5 HB VAL 5 -1.103 -2.726 -2.726 28 1HG1 VAL 5 1HG1 VAL 5 -1.712 -2.570 -2.570 29 2HG1 VAL 5 3HG1 VAL 5 0.001 -2.238 -2.238 30 3HG1 VAL 5 2HG1 VAL 5 -0.521 -3.742 -3.742 31 1HG2 VAL 5 2HG2 VAL 5 1.143 -0.893 -0.893 32 2HG2 VAL 5 1HG2 VAL 5 0.884 -1.398 -1.398 33 3HG2 VAL 5 3HG2 VAL 5 1.404 -2.561 -2.561 34 H LEU 6 H LEU 6 -2.885 -1.458 -1.458 35 HA LEU 6 HA LEU 6 -5.193 -2.576 -2.576 36 1HB LEU 6 2HB LEU 6 -5.111 -1.380 -1.380 37 2HB LEU 6 1HB LEU 6 -6.264 -2.547 -2.547 38 HG LEU 6 HG LEU 6 -3.279 -3.012 -3.012 39 1HD1 LEU 6 1HD1 LEU 6 -5.760 -4.185 -4.185 40 2HD1 LEU 6 3HD1 LEU 6 -4.117 -4.694 -4.694 41 3HD1 LEU 6 2HD1 LEU 6 -4.626 -3.062 -3.062 42 1HD2 LEU 6 2HD2 LEU 6 -5.402 -4.800 -4.800 43 2HD2 LEU 6 1HD2 LEU 6 -3.845 -4.341 -4.341 44 3HD2 LEU 6 3HD2 LEU 6 -3.925 -5.454 -5.454 45 H LYS 7 H LYS 7 -4.322 0.632 0.632 46 HA LYS 7 HA LYS 7 -7.079 1.694 1.694 47 1HB LYS 7 2HB LYS 7 -4.497 3.152 3.152 48 2HB LYS 7 1HB LYS 7 -6.104 3.855 3.855 49 1HG LYS 7 2HG LYS 7 -6.837 2.202 2.202 50 2HG LYS 7 1HG LYS 7 -5.179 1.636 1.636 51 1HD LYS 7 2HD LYS 7 -4.451 3.957 3.957 52 2HD LYS 7 1HD LYS 7 -6.092 4.524 4.524 53 1HE LYS 7 2HE LYS 7 -5.586 4.082 4.082 54 2HE LYS 7 1HE LYS 7 -6.895 3.066 3.066 55 1HZ LYS 7 3HZ LYS 7 -4.442 1.750 1.750 56 2HZ LYS 7 2HZ LYS 7 -4.445 2.251 2.251 57 3HZ LYS 7 1HZ LYS 7 -5.694 1.266 1.266 58 H VAL 8 H VAL 8 -4.496 0.782 0.782 59 HA VAL 8 HA VAL 8 -4.697 2.912 2.912 60 HB VAL 8 HB VAL 8 -2.991 0.397 0.397 61 1HG1 VAL 8 1HG1 VAL 8 -3.393 0.818 0.818 62 2HG1 VAL 8 3HG1 VAL 8 -2.525 2.341 2.341 63 3HG1 VAL 8 2HG1 VAL 8 -1.728 0.815 0.815 64 1HG2 VAL 8 2HG2 VAL 8 -2.612 2.610 2.610 65 2HG2 VAL 8 1HG2 VAL 8 -1.216 1.866 1.866 66 3HG2 VAL 8 3HG2 VAL 8 -1.984 3.256 3.256 67 H LEU 9 H LEU 9 -5.082 -0.601 -0.601 68 HA LEU 9 HA LEU 9 -6.498 -0.761 -0.761 69 1HB LEU 9 2HB LEU 9 -6.863 -3.133 -3.133 70 2HB LEU 9 1HB LEU 9 -5.246 -2.584 -2.584 71 HG LEU 9 HG LEU 9 -4.763 -2.351 -2.351 72 1HD1 LEU 9 1HD1 LEU 9 -7.707 -3.123 -3.123 73 2HD1 LEU 9 3HD1 LEU 9 -6.610 -3.424 -3.424 74 3HD1 LEU 9 2HD1 LEU 9 -6.888 -1.787 -1.787 75 1HD2 LEU 9 2HD2 LEU 9 -5.961 -4.950 -4.950 76 2HD2 LEU 9 1HD2 LEU 9 -4.301 -4.398 -4.398 77 3HD2 LEU 9 3HD2 LEU 9 -4.920 -4.800 -4.800 78 H THR 10 H THR 10 -7.611 0.711 0.711 79 HA THR 10 HA THR 10 -10.289 -0.558 -0.558 80 HB THR 10 HB THR 10 -10.095 1.663 1.663 81 HG1 THR 10 HG1 THR 10 -7.958 0.013 0.013 82 1HG2 THR 10 2HG2 THR 10 -9.729 -1.374 -1.374 83 2HG2 THR 10 1HG2 THR 10 -9.760 -0.259 -0.259 84 3HG2 THR 10 3HG2 THR 10 -11.173 -0.444 -0.444 85 H THR 11 H THR 11 -8.450 2.110 2.110 86 HA THR 11 HA THR 11 -10.889 3.551 3.551 87 HB THR 11 HB THR 11 -9.536 4.848 4.848 88 HG1 THR 11 HG1 THR 11 -9.791 5.385 5.385 89 1HG2 THR 11 1HG2 THR 11 -7.186 3.995 3.995 90 2HG2 THR 11 3HG2 THR 11 -7.126 5.451 5.451 91 3HG2 THR 11 2HG2 THR 11 -7.348 3.898 3.898 92 H GLY 12 H GLY 12 -7.892 2.099 2.099 93 1HA GLY 12 2HA GLY 12 -8.486 1.265 1.265 94 2HA GLY 12 1HA GLY 12 -7.931 2.914 2.914 95 H LEU 13 H LEU 13 -5.900 3.325 3.325 96 HA LEU 13 HA LEU 13 -3.810 1.698 1.698 97 1HB LEU 13 2HB LEU 13 -4.544 1.410 1.410 98 2HB LEU 13 1HB LEU 13 -2.834 1.679 1.679 99 HG LEU 13 HG LEU 13 -4.057 -0.335 -0.335 100 1HD1 LEU 13 3HD1 LEU 13 -4.032 -0.765 -0.765 101 2HD1 LEU 13 2HD1 LEU 13 -3.976 -2.092 -2.092 102 3HD1 LEU 13 1HD1 LEU 13 -5.355 -1.012 -1.012 103 1HD2 LEU 13 1HD2 LEU 13 -1.541 0.302 0.302 104 2HD2 LEU 13 3HD2 LEU 13 -1.975 -1.381 -1.381 105 3HD2 LEU 13 2HD2 LEU 13 -1.675 -0.731 -0.731 106 HA PRO 14 HA DPR 14 -1.872 5.507 5.507 107 1HB PRO 14 2HB DPR 14 -2.624 6.681 6.681 108 2HB PRO 14 1HB DPR 14 -4.248 6.891 6.891 109 1HG PRO 14 2HG DPR 14 -3.131 4.460 4.460 110 2HG PRO 14 1HG DPR 14 -4.715 5.206 5.206 111 1HD PRO 14 2HD DPR 14 -4.452 3.015 3.015 112 2HD PRO 14 1HD DPR 14 -5.502 4.331 4.331 113 H ALA 15 H ALA 15 -1.808 5.900 5.900 114 HA ALA 15 HA ALA 15 -3.386 8.307 8.307 115 1HB ALA 15 1HB ALA 15 -0.877 8.425 8.425 116 2HB ALA 15 3HB ALA 15 -0.878 7.217 7.217 117 3HB ALA 15 2HB ALA 15 -1.624 8.786 8.786 118 H LEU 16 H LEU 16 -3.182 4.957 4.957 119 HA LEU 16 HA LEU 16 -3.692 4.846 4.846 120 1HB LEU 16 2HB LEU 16 -4.553 3.231 3.231 121 2HB LEU 16 1HB LEU 16 -5.319 2.870 2.870 122 HG LEU 16 HG LEU 16 -3.213 1.571 1.571 123 1HD1 LEU 16 1HD1 LEU 16 -4.212 2.262 2.262 124 2HD1 LEU 16 3HD1 LEU 16 -2.650 3.054 3.054 125 3HD1 LEU 16 2HD1 LEU 16 -2.737 1.328 1.328 126 1HD2 LEU 16 3HD2 LEU 16 -1.825 3.366 3.366 127 2HD2 LEU 16 2HD2 LEU 16 -1.022 2.574 2.574 128 3HD2 LEU 16 1HD2 LEU 16 -1.738 4.152 4.152 129 H ILE 17 H ILE 17 -6.092 5.519 5.519 130 HA ILE 17 HA ILE 17 -8.370 5.521 5.521 131 HB ILE 17 HB ILE 17 -8.963 7.363 7.363 132 1HG1 ILE 17 2HG1 ILE 17 -8.120 6.328 6.328 133 2HG1 ILE 17 1HG1 ILE 17 -7.080 5.264 5.264 134 1HG2 ILE 17 3HG2 ILE 17 -10.309 5.403 5.403 135 2HG2 ILE 17 2HG2 ILE 17 -9.157 4.341 4.341 136 3HG2 ILE 17 1HG2 ILE 17 -10.110 5.479 5.479 137 1HD1 ILE 17 3HD1 ILE 17 -6.748 8.149 8.149 138 2HD1 ILE 17 2HD1 ILE 17 -6.427 7.781 7.781 139 3HD1 ILE 17 1HD1 ILE 17 -5.537 6.952 6.952 140 H SER 18 H SER 18 -5.859 7.737 7.737 141 HA SER 18 HA SER 18 -7.245 9.927 9.927 142 1HB SER 18 2HB SER 18 -4.646 9.872 9.872 143 2HB SER 18 1HB SER 18 -5.365 11.324 11.324 144 HG SER 18 HG SER 18 -7.269 9.898 9.898 145 H TRP 19 H TRP 19 -5.547 7.314 7.314 146 HA TRP 19 HA TRP 19 -3.905 8.406 8.406 147 1HB TRP 19 2HB TRP 19 -3.187 6.623 6.623 148 2HB TRP 19 1HB TRP 19 -3.765 5.458 5.458 149 HD1 TRP 19 HD1 TRP 19 -0.632 6.559 6.559 150 HE1 TRP 19 HE1 TRP 19 1.237 6.486 6.486 151 HE3 TRP 19 HE3 TRP 19 -3.462 6.334 6.334 152 HZ2 TRP 19 HZ2 TRP 19 1.484 6.364 6.364 153 HZ3 TRP 19 HZ3 TRP 19 -2.285 6.231 6.231 154 HH2 TRP 19 HH2 TRP 19 0.182 6.249 6.249 155 H ILE 20 H ILE 20 -5.729 5.351 5.351 156 HA ILE 20 HA ILE 20 -6.365 5.502 5.502 157 HB ILE 20 HB ILE 20 -6.147 3.382 3.382 158 1HG1 ILE 20 2HG1 ILE 20 -6.300 1.964 1.964 159 2HG1 ILE 20 1HG1 ILE 20 -6.464 3.471 3.471 160 1HG2 ILE 20 3HG2 ILE 20 -8.604 3.559 3.559 161 2HG2 ILE 20 2HG2 ILE 20 -8.697 3.359 3.359 162 3HG2 ILE 20 1HG2 ILE 20 -8.102 2.039 2.039 163 1HD1 ILE 20 2HD1 ILE 20 -4.270 4.235 4.235 164 2HD1 ILE 20 1HD1 ILE 20 -4.149 2.706 2.706 165 3HD1 ILE 20 3HD1 ILE 20 -4.085 2.741 2.741 166 H LYS 21 H LYS 21 -8.126 6.043 6.043 167 HA LYS 21 HA LYS 21 -10.656 6.051 6.051 168 1HB LYS 21 2HB LYS 21 -9.887 6.710 6.710 169 2HB LYS 21 1HB LYS 21 -11.454 7.172 7.172 170 1HG LYS 21 2HG LYS 21 -11.434 4.575 4.575 171 2HG LYS 21 1HG LYS 21 -10.251 4.423 4.423 172 1HD LYS 21 2HD LYS 21 -12.249 3.981 3.981 173 2HD LYS 21 1HD LYS 21 -12.008 5.685 5.685 174 1HE LYS 21 2HE LYS 21 -13.508 6.158 6.158 175 2HE LYS 21 1HE LYS 21 -13.887 4.443 4.443 176 1HZ LYS 21 3HZ LYS 21 -14.253 5.431 5.431 177 2HZ LYS 21 2HZ LYS 21 -15.063 6.455 6.455 178 3HZ LYS 21 1HZ LYS 21 -15.417 4.805 4.805 179 H ARG 22 H ARG 22 -8.166 8.273 8.273 180 HA ARG 22 HA ARG 22 -9.730 10.665 10.665 181 1HB ARG 22 2HB ARG 22 -7.616 10.555 10.555 182 2HB ARG 22 1HB ARG 22 -6.684 10.258 10.258 183 1HG ARG 22 2HG ARG 22 -6.534 12.514 12.514 184 2HG ARG 22 1HG ARG 22 -8.254 12.589 12.589 185 1HD ARG 22 2HD ARG 22 -8.289 14.021 14.021 186 2HD ARG 22 1HD ARG 22 -8.196 12.566 12.566 187 HE ARG 22 HE ARG 22 -5.651 12.851 12.851 188 1HH1 ARG 22 2HH1 ARG 22 -5.890 15.208 15.208 189 2HH1 ARG 22 1HH1 ARG 22 -5.630 16.562 16.562 190 1HH2 ARG 22 1HH2 ARG 22 -6.262 14.484 14.484 191 2HH2 ARG 22 2HH2 ARG 22 -5.852 16.102 16.102 192 H LYS 23 H LYS 23 -7.791 8.382 8.382 193 HA LYS 23 HA LYS 23 -7.951 10.032 10.032 194 1HB LYS 23 2HB LYS 23 -6.197 8.764 8.764 195 2HB LYS 23 1HB LYS 23 -5.981 8.322 8.322 196 1HG LYS 23 2HG LYS 23 -7.465 6.287 6.287 197 2HG LYS 23 1HG LYS 23 -7.487 6.720 6.720 198 1HD LYS 23 2HD LYS 23 -4.732 6.702 6.702 199 2HD LYS 23 1HD LYS 23 -5.332 5.454 5.454 200 1HE LYS 23 2HE LYS 23 -4.957 4.241 4.241 201 2HE LYS 23 1HE LYS 23 -6.679 4.556 4.556 202 1HZ LYS 23 3HZ LYS 23 -5.290 6.748 6.748 203 2HZ LYS 23 2HZ LYS 23 -4.755 5.320 5.320 204 3HZ LYS 23 1HZ LYS 23 -6.416 5.726 5.726 205 H ARG 24 H ARG 24 -9.450 7.114 7.114 206 HA ARG 24 HA ARG 24 -10.767 6.248 6.248 207 1HB ARG 24 2HB ARG 24 -11.354 5.960 5.960 208 2HB ARG 24 1HB ARG 24 -12.538 5.404 5.404 209 1HG ARG 24 2HG ARG 24 -9.629 4.563 4.563 210 2HG ARG 24 1HG ARG 24 -10.588 3.772 3.772 211 1HD ARG 24 2HD ARG 24 -10.879 3.665 3.665 212 2HD ARG 24 1HD ARG 24 -10.890 2.336 2.336 213 HE ARG 24 HE ARG 24 -13.187 4.221 4.221 214 1HH1 ARG 24 1HH2 ARG 24 -12.931 2.904 2.904 215 2HH1 ARG 24 2HH2 ARG 24 -13.894 1.465 1.465 216 1HH2 ARG 24 2HH1 ARG 24 -13.881 1.840 1.840 217 2HH2 ARG 24 1HH1 ARG 24 -14.512 0.824 0.824 218 H GLN 25 H GLN 25 -11.226 9.133 9.133 219 HA GLN 25 HA GLN 25 -14.076 9.350 9.350 220 1HB GLN 25 2HB GLN 25 -12.351 10.867 10.867 221 2HB GLN 25 1HB GLN 25 -13.626 11.753 11.753 222 1HG GLN 25 2HG GLN 25 -15.149 9.655 9.655 223 2HG GLN 25 1HG GLN 25 -13.891 9.454 9.454 224 1HE2 GLN 25 2HE2 GLN 25 -14.747 12.708 12.708 225 2HE2 GLN 25 1HE2 GLN 25 -13.332 11.894 11.894 226 H GLN 26 H GLN 26 -10.953 9.964 9.964 227 HA GLN 26 HA GLN 26 -11.897 12.005 12.005 228 1HB GLN 26 2HB GLN 26 -10.161 12.846 12.846 229 2HB GLN 26 1HB GLN 26 -9.068 11.587 11.587 230 1HG GLN 26 2HG GLN 26 -8.816 12.568 12.568 231 2HG GLN 26 1HG GLN 26 -10.288 13.520 13.520 232 1HE2 GLN 26 2HE2 GLN 26 -7.231 15.646 15.646 233 2HE2 GLN 26 1HE2 GLN 26 -7.573 14.551 14.551 234 1HN NH2 27 1HT GLN 26 -12.402 10.559 10.559 235 2HN NH2 27 2HT GLN 26 -11.265 9.468 9.468 Start of MODEL 6 1 1H GLY 1 3H GLY 1 5.450 -3.113 -3.113 2 2H GLY 1 2H GLY 1 6.487 -2.295 -2.295 3 3H GLY 1 1H GLY 1 6.546 -3.994 -3.994 4 1HA GLY 1 2HA GLY 1 4.947 -4.174 -4.174 5 2HA GLY 1 1HA GLY 1 4.913 -2.399 -2.399 6 H ILE 2 H ILE 2 2.457 -3.576 -3.576 7 HA ILE 2 HA ILE 2 1.243 -3.339 -3.339 8 HB ILE 2 HB ILE 2 -0.701 -4.616 -4.616 9 1HG1 ILE 2 2HG1 ILE 2 1.514 -5.575 -5.575 10 2HG1 ILE 2 1HG1 ILE 2 0.433 -4.286 -4.286 11 1HG2 ILE 2 3HG2 ILE 2 2.008 -5.826 -5.826 12 2HG2 ILE 2 2HG2 ILE 2 0.597 -6.817 -6.817 13 3HG2 ILE 2 1HG2 ILE 2 0.590 -5.687 -5.687 14 1HD1 ILE 2 1HD1 ILE 2 -0.776 -6.841 -6.841 15 2HD1 ILE 2 3HD1 ILE 2 -0.173 -6.786 -6.786 16 3HD1 ILE 2 2HD1 ILE 2 -1.442 -5.687 -5.687 17 H GLY 3 H GLY 3 1.086 -2.152 -2.152 18 1HA GLY 3 2HA GLY 3 -0.927 -0.923 -0.923 19 2HA GLY 3 1HA GLY 3 0.380 0.149 0.149 20 H ALA 4 H ALA 4 0.261 0.897 0.897 21 HA ALA 4 HA ALA 4 -2.522 1.848 1.848 22 1HB ALA 4 3HB ALA 4 0.150 2.910 2.910 23 2HB ALA 4 2HB ALA 4 -1.417 3.613 3.613 24 3HB ALA 4 1HB ALA 4 -0.801 3.613 3.613 25 H VAL 5 H VAL 5 -0.055 -0.113 -0.113 26 HA VAL 5 HA VAL 5 -0.598 -0.129 -0.129 27 HB VAL 5 HB VAL 5 0.121 -2.638 -2.638 28 1HG1 VAL 5 3HG1 VAL 5 -0.159 -2.518 -2.518 29 2HG1 VAL 5 2HG1 VAL 5 1.396 -1.704 -1.704 30 3HG1 VAL 5 1HG1 VAL 5 1.245 -3.332 -3.332 31 1HG2 VAL 5 1HG2 VAL 5 1.850 -0.167 -0.167 32 2HG2 VAL 5 3HG2 VAL 5 1.665 -1.076 -1.076 33 3HG2 VAL 5 2HG2 VAL 5 2.583 -1.751 -1.751 34 H LEU 6 H LEU 6 -2.278 -1.565 -1.565 35 HA LEU 6 HA LEU 6 -4.055 -3.125 -3.125 36 1HB LEU 6 2HB LEU 6 -4.187 -2.743 -2.743 37 2HB LEU 6 1HB LEU 6 -5.170 -3.853 -3.853 38 HG LEU 6 HG LEU 6 -2.121 -3.951 -3.951 39 1HD1 LEU 6 1HD1 LEU 6 -4.279 -5.587 -5.587 40 2HD1 LEU 6 3HD1 LEU 6 -2.586 -6.028 -6.028 41 3HD1 LEU 6 2HD1 LEU 6 -3.091 -4.541 -4.541 42 1HD2 LEU 6 1HD2 LEU 6 -4.213 -5.716 -5.716 43 2HD2 LEU 6 3HD2 LEU 6 -2.775 -5.013 -5.013 44 3HD2 LEU 6 2HD2 LEU 6 -2.629 -6.341 -6.341 45 H LYS 7 H LYS 7 -3.912 -0.026 -0.026 46 HA LYS 7 HA LYS 7 -6.856 0.384 0.384 47 1HB LYS 7 2HB LYS 7 -4.545 2.368 2.368 48 2HB LYS 7 1HB LYS 7 -6.246 2.752 2.752 49 1HG LYS 7 2HG LYS 7 -6.426 1.030 1.030 50 2HG LYS 7 1HG LYS 7 -4.721 0.671 0.671 51 1HD LYS 7 2HD LYS 7 -4.219 3.123 3.123 52 2HD LYS 7 1HD LYS 7 -5.907 3.360 3.360 53 1HE LYS 7 2HE LYS 7 -4.399 1.109 1.109 54 2HE LYS 7 1HE LYS 7 -4.104 2.749 2.749 55 1HZ LYS 7 1HZ LYS 7 -6.892 2.361 2.361 56 2HZ LYS 7 3HZ LYS 7 -6.240 1.077 1.077 57 3HZ LYS 7 2HZ LYS 7 -6.001 2.675 2.675 58 H VAL 8 H VAL 8 -3.943 1.070 1.070 59 HA VAL 8 HA VAL 8 -4.803 2.801 2.801 60 HB VAL 8 HB VAL 8 -2.871 0.410 0.410 61 1HG1 VAL 8 3HG1 VAL 8 -3.415 1.099 1.099 62 2HG1 VAL 8 2HG1 VAL 8 -2.754 2.691 2.691 63 3HG1 VAL 8 1HG1 VAL 8 -1.727 1.270 1.270 64 1HG2 VAL 8 1HG2 VAL 8 -2.634 2.714 2.714 65 2HG2 VAL 8 3HG2 VAL 8 -1.266 1.784 1.784 66 3HG2 VAL 8 2HG2 VAL 8 -1.779 3.201 3.201 67 H LEU 9 H LEU 9 -5.318 -0.598 -0.598 68 HA LEU 9 HA LEU 9 -6.721 -0.813 -0.813 69 1HB LEU 9 2HB LEU 9 -6.715 -3.109 -3.109 70 2HB LEU 9 1HB LEU 9 -6.440 -3.101 -3.101 71 HG LEU 9 HG LEU 9 -4.399 -2.119 -2.119 72 1HD1 LEU 9 3HD1 LEU 9 -4.623 -4.758 -4.758 73 2HD1 LEU 9 2HD1 LEU 9 -3.211 -4.211 -4.211 74 3HD1 LEU 9 1HD1 LEU 9 -4.734 -4.464 -4.464 75 1HD2 LEU 9 2HD2 LEU 9 -4.185 -1.109 -1.109 76 2HD2 LEU 9 1HD2 LEU 9 -2.830 -2.136 -2.136 77 3HD2 LEU 9 3HD2 LEU 9 -4.080 -2.737 -2.737 78 H THR 10 H THR 10 -7.824 0.616 0.616 79 HA THR 10 HA THR 10 -10.430 -0.878 -0.878 80 HB THR 10 HB THR 10 -9.822 1.390 1.390 81 HG1 THR 10 HG1 THR 10 -8.281 -0.843 -0.843 82 1HG2 THR 10 3HG2 THR 10 -10.991 -1.433 -1.433 83 2HG2 THR 10 2HG2 THR 10 -10.913 -0.199 -0.199 84 3HG2 THR 10 1HG2 THR 10 -11.951 0.031 0.031 85 H THR 11 H THR 11 -8.938 1.893 1.893 86 HA THR 11 HA THR 11 -11.649 3.065 3.065 87 HB THR 11 HB THR 11 -9.266 4.954 4.954 88 HG1 THR 11 HG1 THR 11 -10.006 3.398 3.398 89 1HG2 THR 11 1HG2 THR 11 -11.957 5.001 5.001 90 2HG2 THR 11 3HG2 THR 11 -10.829 6.341 6.341 91 3HG2 THR 11 2HG2 THR 11 -11.671 5.779 5.779 92 H GLY 12 H GLY 12 -8.323 3.276 3.276 93 1HA GLY 12 2HA GLY 12 -9.313 2.491 2.491 94 2HA GLY 12 1HA GLY 12 -8.477 4.036 4.036 95 H LEU 13 H LEU 13 -6.337 4.043 4.043 96 HA LEU 13 HA LEU 13 -4.563 2.025 2.025 97 1HB LEU 13 2HB LEU 13 -5.484 1.826 1.826 98 2HB LEU 13 1HB LEU 13 -3.738 1.968 1.968 99 HG LEU 13 HG LEU 13 -5.056 0.021 0.021 100 1HD1 LEU 13 2HD1 LEU 13 -4.974 -0.307 -0.307 101 2HD1 LEU 13 1HD1 LEU 13 -4.848 -1.703 -1.703 102 3HD1 LEU 13 3HD1 LEU 13 -6.268 -0.680 -0.680 103 1HD2 LEU 13 3HD2 LEU 13 -2.511 0.546 0.546 104 2HD2 LEU 13 2HD2 LEU 13 -2.982 -1.141 -1.141 105 3HD2 LEU 13 1HD2 LEU 13 -2.599 -0.323 -0.323 106 HA PRO 14 HA DPR 14 -2.085 5.580 5.580 107 1HB PRO 14 2HB DPR 14 -2.464 6.728 6.728 108 2HB PRO 14 1HB DPR 14 -4.034 7.319 7.319 109 1HG PRO 14 2HG DPR 14 -3.388 4.749 4.749 110 2HG PRO 14 1HG DPR 14 -4.850 5.722 5.722 111 1HD PRO 14 2HD DPR 14 -4.765 3.390 3.390 112 2HD PRO 14 1HD DPR 14 -5.774 4.756 4.756 113 H ALA 15 H ALA 15 -2.053 6.128 6.128 114 HA ALA 15 HA ALA 15 -3.593 8.579 8.579 115 1HB ALA 15 3HB ALA 15 -1.103 8.645 8.645 116 2HB ALA 15 2HB ALA 15 -1.136 7.420 7.420 117 3HB ALA 15 1HB ALA 15 -1.845 9.001 9.001 118 H LEU 16 H LEU 16 -3.571 5.254 5.254 119 HA LEU 16 HA LEU 16 -4.021 5.059 5.059 120 1HB LEU 16 2HB LEU 16 -5.229 3.762 3.762 121 2HB LEU 16 1HB LEU 16 -6.044 3.463 3.463 122 HG LEU 16 HG LEU 16 -4.192 1.857 1.857 123 1HD1 LEU 16 3HD1 LEU 16 -4.518 3.181 3.181 124 2HD1 LEU 16 2HD1 LEU 16 -3.112 2.148 2.148 125 3HD1 LEU 16 1HD1 LEU 16 -4.714 1.499 1.499 126 1HD2 LEU 16 3HD2 LEU 16 -2.436 3.362 3.362 127 2HD2 LEU 16 2HD2 LEU 16 -1.847 2.439 2.439 128 3HD2 LEU 16 1HD2 LEU 16 -2.294 4.112 4.112 129 H ILE 17 H ILE 17 -6.411 6.316 6.316 130 HA ILE 17 HA ILE 17 -8.622 6.528 6.528 131 HB ILE 17 HB ILE 17 -8.137 8.894 8.894 132 1HG1 ILE 17 2HG1 ILE 17 -8.867 7.269 7.269 133 2HG1 ILE 17 1HG1 ILE 17 -8.177 5.999 5.999 134 1HG2 ILE 17 3HG2 ILE 17 -10.310 8.379 8.379 135 2HG2 ILE 17 2HG2 ILE 17 -10.439 6.932 6.932 136 3HG2 ILE 17 1HG2 ILE 17 -10.439 8.522 8.522 137 1HD1 ILE 17 1HD1 ILE 17 -6.248 8.152 8.152 138 2HD1 ILE 17 3HD1 ILE 17 -6.825 7.985 7.985 139 3HD1 ILE 17 2HD1 ILE 17 -6.113 6.614 6.614 140 H SER 18 H SER 18 -5.856 8.678 8.678 141 HA SER 18 HA SER 18 -7.019 10.434 10.434 142 1HB SER 18 2HB SER 18 -4.987 10.807 10.807 143 2HB SER 18 1HB SER 18 -4.549 11.555 11.555 144 HG SER 18 HG SER 18 -6.718 12.046 12.046 145 H TRP 19 H TRP 19 -5.565 7.685 7.685 146 HA TRP 19 HA TRP 19 -3.659 8.107 8.107 147 1HB TRP 19 2HB TRP 19 -3.344 6.638 6.638 148 2HB TRP 19 1HB TRP 19 -3.943 5.371 5.371 149 HD1 TRP 19 HD1 TRP 19 -0.785 6.413 6.413 150 HE1 TRP 19 HE1 TRP 19 1.191 5.850 5.850 151 HE3 TRP 19 HE3 TRP 19 -3.316 5.562 5.562 152 HZ2 TRP 19 HZ2 TRP 19 1.610 5.161 5.161 153 HZ3 TRP 19 HZ3 TRP 19 -2.019 4.930 4.930 154 HH2 TRP 19 HH2 TRP 19 0.438 4.729 4.729 155 H ILE 20 H ILE 20 -5.983 5.552 5.552 156 HA ILE 20 HA ILE 20 -6.533 5.172 5.172 157 HB ILE 20 HB ILE 20 -6.600 3.553 3.553 158 1HG1 ILE 20 2HG1 ILE 20 -6.804 2.747 2.747 159 2HG1 ILE 20 1HG1 ILE 20 -5.302 3.103 3.103 160 1HG2 ILE 20 3HG2 ILE 20 -9.024 3.412 3.412 161 2HG2 ILE 20 2HG2 ILE 20 -8.587 2.183 2.183 162 3HG2 ILE 20 1HG2 ILE 20 -9.005 3.801 3.801 163 1HD1 ILE 20 3HD1 ILE 20 -6.555 1.205 1.205 164 2HD1 ILE 20 2HD1 ILE 20 -6.855 0.630 0.630 165 3HD1 ILE 20 1HD1 ILE 20 -5.214 0.922 0.922 166 H LYS 21 H LYS 21 -8.297 6.169 6.169 167 HA LYS 21 HA LYS 21 -10.771 6.440 6.440 168 1HB LYS 21 2HB LYS 21 -10.086 6.613 6.613 169 2HB LYS 21 1HB LYS 21 -10.557 8.254 8.254 170 1HG LYS 21 2HG LYS 21 -12.661 7.368 7.368 171 2HG LYS 21 1HG LYS 21 -12.228 5.745 5.745 172 1HD LYS 21 2HD LYS 21 -12.122 6.588 6.588 173 2HD LYS 21 1HD LYS 21 -12.599 8.180 8.180 174 1HE LYS 21 2HE LYS 21 -14.720 7.021 7.021 175 2HE LYS 21 1HE LYS 21 -14.258 5.616 5.616 176 1HZ LYS 21 1HZ LYS 21 -14.148 7.904 7.904 177 2HZ LYS 21 3HZ LYS 21 -15.617 7.902 7.902 178 3HZ LYS 21 2HZ LYS 21 -15.191 6.565 6.565 179 H ARG 22 H ARG 22 -7.912 8.316 8.316 180 HA ARG 22 HA ARG 22 -9.308 10.771 10.771 181 1HB ARG 22 2HB ARG 22 -7.165 10.438 10.438 182 2HB ARG 22 1HB ARG 22 -6.294 10.458 10.458 183 1HG ARG 22 2HG ARG 22 -7.717 12.668 12.668 184 2HG ARG 22 1HG ARG 22 -8.001 12.622 12.622 185 1HD ARG 22 2HD ARG 22 -5.325 12.365 12.365 186 2HD ARG 22 1HD ARG 22 -5.391 13.090 13.090 187 HE ARG 22 HE ARG 22 -6.889 14.875 14.875 188 1HH1 ARG 22 1HH2 ARG 22 -6.244 13.472 13.472 189 2HH1 ARG 22 2HH2 ARG 22 -5.044 14.487 14.487 190 1HH2 ARG 22 2HH1 ARG 22 -4.490 16.021 16.021 191 2HH2 ARG 22 1HH1 ARG 22 -3.932 16.055 16.055 192 H LYS 23 H LYS 23 -7.659 8.057 8.057 193 HA LYS 23 HA LYS 23 -7.272 9.255 9.255 194 1HB LYS 23 2HB LYS 23 -5.598 7.662 7.662 195 2HB LYS 23 1HB LYS 23 -6.716 6.364 6.364 196 1HG LYS 23 2HG LYS 23 -6.246 8.016 8.016 197 2HG LYS 23 1HG LYS 23 -4.732 7.506 7.506 198 1HD LYS 23 2HD LYS 23 -5.340 5.834 5.834 199 2HD LYS 23 1HD LYS 23 -5.595 5.112 5.112 200 1HE LYS 23 2HE LYS 23 -7.943 5.141 5.141 201 2HE LYS 23 1HE LYS 23 -7.942 6.555 6.555 202 1HZ LYS 23 1HZ LYS 23 -6.634 4.518 4.518 203 2HZ LYS 23 3HZ LYS 23 -8.108 3.893 3.893 204 3HZ LYS 23 2HZ LYS 23 -8.060 5.313 5.313 205 H ARG 24 H ARG 24 -8.998 6.473 6.473 206 HA ARG 24 HA ARG 24 -10.387 5.525 5.525 207 1HB ARG 24 2HB ARG 24 -11.100 5.662 5.662 208 2HB ARG 24 1HB ARG 24 -12.275 5.058 5.058 209 1HG ARG 24 2HG ARG 24 -10.332 3.468 3.468 210 2HG ARG 24 1HG ARG 24 -9.563 3.882 3.882 211 1HD ARG 24 2HD ARG 24 -11.216 2.795 2.795 212 2HD ARG 24 1HD ARG 24 -12.464 3.000 3.000 213 HE ARG 24 HE ARG 24 -10.233 1.000 1.000 214 1HH1 ARG 24 1HH2 ARG 24 -12.032 1.686 1.686 215 2HH1 ARG 24 2HH2 ARG 24 -13.227 0.439 0.439 216 1HH2 ARG 24 2HH1 ARG 24 -12.326 -0.418 -0.418 217 2HH2 ARG 24 1HH1 ARG 24 -13.410 -0.824 -0.824 218 H GLN 25 H GLN 25 -10.763 8.586 8.586 219 HA GLN 25 HA GLN 25 -13.533 8.920 8.920 220 1HB GLN 25 2HB GLN 25 -13.064 11.341 11.341 221 2HB GLN 25 1HB GLN 25 -13.431 10.010 10.010 222 1HG GLN 25 2HG GLN 25 -11.079 9.657 9.657 223 2HG GLN 25 1HG GLN 25 -10.577 10.750 10.750 224 1HE2 GLN 25 2HE2 GLN 25 -10.339 13.245 13.245 225 2HE2 GLN 25 1HE2 GLN 25 -9.543 12.322 12.322 226 H GLN 26 H GLN 26 -10.291 9.678 9.678 227 HA GLN 26 HA GLN 26 -9.354 11.291 11.291 228 1HB GLN 26 2HB GLN 26 -10.824 9.032 9.032 229 2HB GLN 26 1HB GLN 26 -10.181 10.251 10.251 230 1HG GLN 26 2HG GLN 26 -7.913 9.884 9.884 231 2HG GLN 26 1HG GLN 26 -8.428 8.920 8.920 232 1HE2 GLN 26 1HE2 GLN 26 -9.060 8.885 8.885 233 2HE2 GLN 26 2HE2 GLN 26 -8.819 7.213 7.213 234 1HN NH2 27 1HT GLN 26 -11.439 12.924 12.924 235 2HN NH2 27 2HT GLN 26 -12.132 13.703 13.703 Start of MODEL 7 1 1H GLY 1 3H GLY 1 4.930 -3.802 -3.802 2 2H GLY 1 2H GLY 1 5.929 -3.189 -3.189 3 3H GLY 1 1H GLY 1 5.964 -4.850 -4.850 4 1HA GLY 1 2HA GLY 1 4.302 -5.247 -5.247 5 2HA GLY 1 1HA GLY 1 4.273 -3.512 -3.512 6 H ILE 2 H ILE 2 1.788 -4.499 -4.499 7 HA ILE 2 HA ILE 2 0.724 -4.006 -4.006 8 HB ILE 2 HB ILE 2 -1.322 -5.205 -5.205 9 1HG1 ILE 2 2HG1 ILE 2 -0.516 -4.948 -4.948 10 2HG1 ILE 2 1HG1 ILE 2 -1.253 -6.442 -6.442 11 1HG2 ILE 2 2HG2 ILE 2 1.317 -6.540 -6.540 12 2HG2 ILE 2 1HG2 ILE 2 -0.093 -7.504 -7.504 13 3HG2 ILE 2 3HG2 ILE 2 -0.127 -6.443 -6.443 14 1HD1 ILE 2 1HD1 ILE 2 1.671 -6.603 -6.603 15 2HD1 ILE 2 3HD1 ILE 2 1.217 -6.256 -6.256 16 3HD1 ILE 2 2HD1 ILE 2 0.579 -7.663 -7.663 17 H GLY 3 H GLY 3 0.538 -3.036 -3.036 18 1HA GLY 3 2HA GLY 3 -1.365 -1.704 -1.704 19 2HA GLY 3 1HA GLY 3 0.029 -0.713 -0.713 20 H ALA 4 H ALA 4 -0.007 0.305 0.305 21 HA ALA 4 HA ALA 4 -2.753 1.419 1.419 22 1HB ALA 4 3HB ALA 4 -0.694 2.931 2.931 23 2HB ALA 4 2HB ALA 4 -0.194 2.544 2.544 24 3HB ALA 4 1HB ALA 4 -1.719 3.358 3.358 25 H VAL 5 H VAL 5 -0.469 -0.610 -0.610 26 HA VAL 5 HA VAL 5 -1.014 -0.216 -0.216 27 HB VAL 5 HB VAL 5 -0.592 -2.986 -2.986 28 1HG1 VAL 5 2HG1 VAL 5 0.214 -1.707 -1.707 29 2HG1 VAL 5 1HG1 VAL 5 0.899 -3.230 -3.230 30 3HG1 VAL 5 3HG1 VAL 5 -0.822 -3.096 -3.096 31 1HG2 VAL 5 1HG2 VAL 5 1.484 -0.765 -0.765 32 2HG2 VAL 5 3HG2 VAL 5 1.112 -1.657 -1.657 33 3HG2 VAL 5 2HG2 VAL 5 1.933 -2.454 -2.454 34 H LEU 6 H LEU 6 -2.477 -2.224 -2.224 35 HA LEU 6 HA LEU 6 -4.605 -3.349 -3.349 36 1HB LEU 6 2HB LEU 6 -4.571 -2.542 -2.542 37 2HB LEU 6 1HB LEU 6 -5.792 -3.570 -3.570 38 HG LEU 6 HG LEU 6 -2.865 -4.317 -4.317 39 1HD1 LEU 6 2HD1 LEU 6 -4.726 -4.723 -4.723 40 2HD1 LEU 6 1HD1 LEU 6 -3.345 -5.763 -5.763 41 3HD1 LEU 6 3HD1 LEU 6 -3.109 -4.043 -4.043 42 1HD2 LEU 6 3HD2 LEU 6 -4.692 -5.532 -5.532 43 2HD2 LEU 6 2HD2 LEU 6 -3.765 -6.571 -6.571 44 3HD2 LEU 6 1HD2 LEU 6 -5.370 -6.048 -6.048 45 H LYS 7 H LYS 7 -4.234 -0.105 -0.105 46 HA LYS 7 HA LYS 7 -7.134 0.403 0.403 47 1HB LYS 7 2HB LYS 7 -5.547 1.406 1.406 48 2HB LYS 7 1HB LYS 7 -5.175 2.604 2.604 49 1HG LYS 7 2HG LYS 7 -7.230 3.623 3.623 50 2HG LYS 7 1HG LYS 7 -8.100 2.110 2.110 51 1HD LYS 7 2HD LYS 7 -7.176 1.806 1.806 52 2HD LYS 7 1HD LYS 7 -6.903 3.529 3.529 53 1HE LYS 7 2HE LYS 7 -9.614 2.293 2.293 54 2HE LYS 7 1HE LYS 7 -9.178 2.609 2.609 55 1HZ LYS 7 2HZ LYS 7 -8.604 4.919 4.919 56 2HZ LYS 7 1HZ LYS 7 -10.160 4.408 4.408 57 3HZ LYS 7 3HZ LYS 7 -9.789 4.734 4.734 58 H VAL 8 H VAL 8 -4.033 0.833 0.833 59 HA VAL 8 HA VAL 8 -4.641 2.905 2.905 60 HB VAL 8 HB VAL 8 -2.690 0.542 0.542 61 1HG1 VAL 8 2HG1 VAL 8 -3.290 1.068 1.068 62 2HG1 VAL 8 1HG1 VAL 8 -2.265 2.478 2.478 63 3HG1 VAL 8 3HG1 VAL 8 -1.630 0.862 0.862 64 1HG2 VAL 8 3HG2 VAL 8 -2.422 3.562 3.562 65 2HG2 VAL 8 2HG2 VAL 8 -2.027 2.360 2.360 66 3HG2 VAL 8 1HG2 VAL 8 -1.013 2.535 2.535 67 H LEU 9 H LEU 9 -5.479 -0.426 -0.426 68 HA LEU 9 HA LEU 9 -6.594 -0.442 -0.442 69 1HB LEU 9 2HB LEU 9 -7.131 -2.712 -2.712 70 2HB LEU 9 1HB LEU 9 -6.687 -2.749 -2.749 71 HG LEU 9 HG LEU 9 -4.767 -2.059 -2.059 72 1HD1 LEU 9 3HD1 LEU 9 -5.273 -4.632 -4.632 73 2HD1 LEU 9 2HD1 LEU 9 -3.784 -4.304 -4.304 74 3HD1 LEU 9 1HD1 LEU 9 -5.320 -4.315 -4.315 75 1HD2 LEU 9 3HD2 LEU 9 -4.210 -1.070 -1.070 76 2HD2 LEU 9 2HD2 LEU 9 -3.015 -2.211 -2.211 77 3HD2 LEU 9 1HD2 LEU 9 -4.186 -2.704 -2.704 78 H THR 10 H THR 10 -7.681 1.070 1.070 79 HA THR 10 HA THR 10 -10.487 0.022 0.022 80 HB THR 10 HB THR 10 -9.569 2.260 2.260 81 HG1 THR 10 HG1 THR 10 -8.589 -0.262 -0.262 82 1HG2 THR 10 1HG2 THR 10 -11.457 -0.149 -0.149 83 2HG2 THR 10 3HG2 THR 10 -11.186 1.103 1.103 84 3HG2 THR 10 2HG2 THR 10 -11.995 1.492 1.492 85 H THR 11 H THR 11 -8.541 2.189 2.189 86 HA THR 11 HA THR 11 -10.844 3.970 3.970 87 HB THR 11 HB THR 11 -8.387 5.350 5.350 88 HG1 THR 11 HG1 THR 11 -8.455 3.995 3.995 89 1HG2 THR 11 2HG2 THR 11 -10.454 5.674 5.674 90 2HG2 THR 11 1HG2 THR 11 -8.950 6.568 6.568 91 3HG2 THR 11 3HG2 THR 11 -9.994 6.799 6.799 92 H GLY 12 H GLY 12 -7.648 3.529 3.529 93 1HA GLY 12 2HA GLY 12 -8.608 2.060 2.060 94 2HA GLY 12 1HA GLY 12 -7.795 3.624 3.624 95 H LEU 13 H LEU 13 -5.751 3.894 3.894 96 HA LEU 13 HA LEU 13 -4.092 2.135 2.135 97 1HB LEU 13 2HB LEU 13 -4.384 1.509 1.509 98 2HB LEU 13 1HB LEU 13 -2.712 1.746 1.746 99 HG LEU 13 HG LEU 13 -4.441 0.005 0.005 100 1HD1 LEU 13 2HD1 LEU 13 -3.325 -0.872 -0.872 101 2HD1 LEU 13 1HD1 LEU 13 -3.863 -1.977 -1.977 102 3HD1 LEU 13 3HD1 LEU 13 -5.004 -0.873 -0.873 103 1HD2 LEU 13 1HD2 LEU 13 -2.008 0.611 0.611 104 2HD2 LEU 13 3HD2 LEU 13 -2.328 -1.115 -1.115 105 3HD2 LEU 13 2HD2 LEU 13 -1.547 -0.316 -0.316 106 HA PRO 14 HA DPR 14 -1.582 5.735 5.735 107 1HB PRO 14 2HB DPR 14 -1.804 6.843 6.843 108 2HB PRO 14 1HB DPR 14 -3.444 7.369 7.369 109 1HG PRO 14 2HG DPR 14 -2.542 4.803 4.803 110 2HG PRO 14 1HG DPR 14 -4.010 5.727 5.727 111 1HD PRO 14 2HD DPR 14 -4.096 3.445 3.445 112 2HD PRO 14 1HD DPR 14 -5.129 4.809 4.809 113 H ALA 15 H ALA 15 -1.700 6.473 6.473 114 HA ALA 15 HA ALA 15 -3.611 8.712 8.712 115 1HB ALA 15 3HB ALA 15 -1.163 9.151 9.151 116 2HB ALA 15 2HB ALA 15 -1.118 7.968 7.968 117 3HB ALA 15 1HB ALA 15 -2.063 9.434 9.434 118 H LEU 16 H LEU 16 -3.394 5.491 5.491 119 HA LEU 16 HA LEU 16 -3.927 5.350 5.350 120 1HB LEU 16 2HB LEU 16 -4.382 3.626 3.626 121 2HB LEU 16 1HB LEU 16 -5.601 3.372 3.372 122 HG LEU 16 HG LEU 16 -2.856 3.688 3.688 123 1HD1 LEU 16 1HD1 LEU 16 -2.247 2.575 2.575 124 2HD1 LEU 16 3HD1 LEU 16 -3.294 1.226 1.226 125 3HD1 LEU 16 2HD1 LEU 16 -1.905 1.629 1.629 126 1HD2 LEU 16 1HD2 LEU 16 -4.992 2.870 2.870 127 2HD2 LEU 16 3HD2 LEU 16 -3.549 1.910 1.910 128 3HD2 LEU 16 2HD2 LEU 16 -4.772 1.362 1.362 129 H ILE 17 H ILE 17 -6.118 6.614 6.614 130 HA ILE 17 HA ILE 17 -8.543 6.297 6.297 131 HB ILE 17 HB ILE 17 -8.484 8.817 8.817 132 1HG1 ILE 17 2HG1 ILE 17 -8.552 7.290 7.290 133 2HG1 ILE 17 1HG1 ILE 17 -7.459 6.279 6.279 134 1HG2 ILE 17 2HG2 ILE 17 -10.511 7.625 7.625 135 2HG2 ILE 17 1HG2 ILE 17 -10.151 6.290 6.290 136 3HG2 ILE 17 3HG2 ILE 17 -10.522 7.878 7.878 137 1HD1 ILE 17 3HD1 ILE 17 -7.018 9.304 9.304 138 2HD1 ILE 17 2HD1 ILE 17 -6.405 8.146 8.146 139 3HD1 ILE 17 1HD1 ILE 17 -5.838 8.110 8.110 140 H SER 18 H SER 18 -5.977 8.625 8.625 141 HA SER 18 HA SER 18 -7.373 10.235 10.235 142 1HB SER 18 2HB SER 18 -5.082 10.779 10.779 143 2HB SER 18 1HB SER 18 -5.239 11.747 11.747 144 HG SER 18 HG SER 18 -6.712 12.744 12.744 145 H TRP 19 H TRP 19 -5.793 7.598 7.598 146 HA TRP 19 HA TRP 19 -3.888 8.052 8.052 147 1HB TRP 19 2HB TRP 19 -3.521 6.787 6.787 148 2HB TRP 19 1HB TRP 19 -4.184 5.402 5.402 149 HD1 TRP 19 HD1 TRP 19 -1.194 6.156 6.156 150 HE1 TRP 19 HE1 TRP 19 0.874 5.518 5.518 151 HE3 TRP 19 HE3 TRP 19 -3.376 5.739 5.739 152 HZ2 TRP 19 HZ2 TRP 19 1.470 4.944 4.944 153 HZ3 TRP 19 HZ3 TRP 19 -1.953 5.124 5.124 154 HH2 TRP 19 HH2 TRP 19 0.458 4.727 4.727 155 H ILE 20 H ILE 20 -6.127 5.349 5.349 156 HA ILE 20 HA ILE 20 -6.639 5.051 5.051 157 HB ILE 20 HB ILE 20 -6.684 3.290 3.290 158 1HG1 ILE 20 2HG1 ILE 20 -6.630 1.523 1.523 159 2HG1 ILE 20 1HG1 ILE 20 -6.767 2.815 2.815 160 1HG2 ILE 20 3HG2 ILE 20 -9.081 3.260 3.260 161 2HG2 ILE 20 2HG2 ILE 20 -8.655 1.941 1.941 162 3HG2 ILE 20 1HG2 ILE 20 -9.080 3.528 3.528 163 1HD1 ILE 20 2HD1 ILE 20 -4.604 3.636 3.636 164 2HD1 ILE 20 1HD1 ILE 20 -4.415 1.899 1.899 165 3HD1 ILE 20 3HD1 ILE 20 -4.474 2.877 2.877 166 H LYS 21 H LYS 21 -8.349 5.894 5.894 167 HA LYS 21 HA LYS 21 -10.908 6.039 6.039 168 1HB LYS 21 2HB LYS 21 -9.886 6.518 6.518 169 2HB LYS 21 1HB LYS 21 -10.946 7.831 7.831 170 1HG LYS 21 2HG LYS 21 -12.497 5.807 5.807 171 2HG LYS 21 1HG LYS 21 -11.501 4.850 4.850 172 1HD LYS 21 2HD LYS 21 -12.535 5.656 5.656 173 2HD LYS 21 1HD LYS 21 -12.373 7.325 7.325 174 1HE LYS 21 2HE LYS 21 -14.368 7.182 7.182 175 2HE LYS 21 1HE LYS 21 -14.512 5.452 5.452 176 1HZ LYS 21 1HZ LYS 21 -14.421 6.744 6.744 177 2HZ LYS 21 3HZ LYS 21 -15.572 7.543 7.543 178 3HZ LYS 21 2HZ LYS 21 -15.688 5.866 5.866 179 H ARG 22 H ARG 22 -8.137 7.952 7.952 180 HA ARG 22 HA ARG 22 -9.641 10.392 10.392 181 1HB ARG 22 2HB ARG 22 -7.509 10.606 10.606 182 2HB ARG 22 1HB ARG 22 -6.622 9.801 9.801 183 1HG ARG 22 2HG ARG 22 -8.093 11.969 11.969 184 2HG ARG 22 1HG ARG 22 -7.412 12.617 12.617 185 1HD ARG 22 2HD ARG 22 -5.764 11.062 11.062 186 2HD ARG 22 1HD ARG 22 -5.905 12.809 12.809 187 HE ARG 22 HE ARG 22 -4.784 11.279 11.279 188 1HH1 ARG 22 1HH2 ARG 22 -5.605 14.157 14.157 189 2HH1 ARG 22 2HH2 ARG 22 -4.104 15.007 15.007 190 1HH2 ARG 22 2HH1 ARG 22 -2.540 12.026 12.026 191 2HH2 ARG 22 1HH1 ARG 22 -2.200 13.691 13.691 192 H LYS 23 H LYS 23 -7.142 8.325 8.325 193 HA LYS 23 HA LYS 23 -7.545 9.201 9.201 194 1HB LYS 23 2HB LYS 23 -6.173 7.388 7.388 195 2HB LYS 23 1HB LYS 23 -5.607 7.754 7.754 196 1HG LYS 23 2HG LYS 23 -5.760 5.425 5.425 197 2HG LYS 23 1HG LYS 23 -7.281 5.962 5.962 198 1HD LYS 23 2HD LYS 23 -8.496 4.842 4.842 199 2HD LYS 23 1HD LYS 23 -7.743 5.659 5.659 200 1HE LYS 23 2HE LYS 23 -6.494 3.295 3.295 201 2HE LYS 23 1HE LYS 23 -7.606 3.102 3.102 202 1HZ LYS 23 3HZ LYS 23 -5.686 5.019 5.019 203 2HZ LYS 23 2HZ LYS 23 -4.864 3.712 3.712 204 3HZ LYS 23 1HZ LYS 23 -5.861 3.462 3.462 205 H ARG 24 H ARG 24 -9.360 6.664 6.664 206 HA ARG 24 HA ARG 24 -10.581 5.769 5.769 207 1HB ARG 24 2HB ARG 24 -10.549 4.692 4.692 208 2HB ARG 24 1HB ARG 24 -12.140 5.440 5.440 209 1HG ARG 24 2HG ARG 24 -12.612 4.295 4.295 210 2HG ARG 24 1HG ARG 24 -11.081 3.464 3.464 211 1HD ARG 24 2HD ARG 24 -12.567 1.892 1.892 212 2HD ARG 24 1HD ARG 24 -12.022 2.692 2.692 213 HE ARG 24 HE ARG 24 -14.150 4.164 4.164 214 1HH1 ARG 24 2HH1 ARG 24 -15.136 3.096 3.096 215 2HH1 ARG 24 1HH1 ARG 24 -16.240 1.832 1.832 216 1HH2 ARG 24 1HH2 ARG 24 -14.777 1.726 1.726 217 2HH2 ARG 24 2HH2 ARG 24 -16.010 0.974 0.974 218 H GLN 25 H GLN 25 -10.962 8.562 8.562 219 HA GLN 25 HA GLN 25 -13.724 9.004 9.004 220 1HB GLN 25 2HB GLN 25 -12.045 10.421 10.421 221 2HB GLN 25 1HB GLN 25 -13.550 11.088 11.088 222 1HG GLN 25 2HG GLN 25 -14.538 8.689 8.689 223 2HG GLN 25 1HG GLN 25 -13.114 8.555 8.555 224 1HE2 GLN 25 2HE2 GLN 25 -16.087 10.280 10.280 225 2HE2 GLN 25 1HE2 GLN 25 -16.095 8.931 8.931 226 H GLN 26 H GLN 26 -10.530 10.373 10.373 227 HA GLN 26 HA GLN 26 -11.041 12.045 12.045 228 1HB GLN 26 2HB GLN 26 -8.962 12.454 12.454 229 2HB GLN 26 1HB GLN 26 -9.241 13.538 13.538 230 1HG GLN 26 2HG GLN 26 -11.366 14.243 14.243 231 2HG GLN 26 1HG GLN 26 -11.494 12.900 12.900 232 1HE2 GLN 26 2HE2 GLN 26 -9.732 14.619 14.619 233 2HE2 GLN 26 1HE2 GLN 26 -10.597 13.209 13.209 234 1HN NH2 27 1HT GLN 26 -10.337 10.561 10.561 235 2HN NH2 27 2HT GLN 26 -8.775 9.895 9.895 Start of MODEL 8 1 1H GLY 1 2H GLY 1 4.901 -2.676 -2.676 2 2H GLY 1 1H GLY 1 5.643 -2.195 -2.195 3 3H GLY 1 3H GLY 1 5.877 -3.775 -3.775 4 1HA GLY 1 2HA GLY 1 4.050 -4.483 -4.483 5 2HA GLY 1 1HA GLY 1 3.817 -2.834 -2.834 6 H ILE 2 H ILE 2 1.425 -3.911 -3.911 7 HA ILE 2 HA ILE 2 0.814 -3.069 -3.069 8 HB ILE 2 HB ILE 2 -1.317 -4.551 -4.551 9 1HG1 ILE 2 2HG1 ILE 2 -0.873 -6.453 -6.453 10 2HG1 ILE 2 1HG1 ILE 2 0.593 -5.713 -5.713 11 1HG2 ILE 2 2HG2 ILE 2 1.489 -5.643 -5.643 12 2HG2 ILE 2 1HG2 ILE 2 0.040 -6.606 -6.606 13 3HG2 ILE 2 3HG2 ILE 2 0.323 -5.195 -5.195 14 1HD1 ILE 2 2HD1 ILE 2 -1.905 -4.043 -4.043 15 2HD1 ILE 2 1HD1 ILE 2 -1.846 -5.474 -5.474 16 3HD1 ILE 2 3HD1 ILE 2 -0.612 -4.252 -4.252 17 H GLY 3 H GLY 3 0.141 -2.413 -2.413 18 1HA GLY 3 2HA GLY 3 -1.988 -1.347 -1.347 19 2HA GLY 3 1HA GLY 3 -0.683 -0.203 -0.203 20 H ALA 4 H ALA 4 -0.593 0.992 0.992 21 HA ALA 4 HA ALA 4 -3.377 1.850 1.850 22 1HB ALA 4 3HB ALA 4 -1.766 3.612 3.612 23 2HB ALA 4 2HB ALA 4 -0.756 3.252 3.252 24 3HB ALA 4 1HB ALA 4 -2.373 3.888 3.888 25 H VAL 5 H VAL 5 -0.845 0.052 0.052 26 HA VAL 5 HA VAL 5 -1.066 0.632 0.632 27 HB VAL 5 HB VAL 5 -0.515 -2.141 -2.141 28 1HG1 VAL 5 1HG1 VAL 5 -0.746 -1.932 -1.932 29 2HG1 VAL 5 3HG1 VAL 5 0.610 -0.817 -0.817 30 3HG1 VAL 5 2HG1 VAL 5 0.841 -2.487 -2.487 31 1HG2 VAL 5 1HG2 VAL 5 1.362 0.266 0.266 32 2HG2 VAL 5 3HG2 VAL 5 1.000 -0.663 -0.663 33 3HG2 VAL 5 2HG2 VAL 5 1.970 -1.372 -1.372 34 H LEU 6 H LEU 6 -2.637 -1.462 -1.462 35 HA LEU 6 HA LEU 6 -4.484 -2.758 -2.758 36 1HB LEU 6 2HB LEU 6 -4.951 -1.959 -1.959 37 2HB LEU 6 1HB LEU 6 -5.872 -3.151 -3.151 38 HG LEU 6 HG LEU 6 -2.941 -3.324 -3.324 39 1HD1 LEU 6 3HD1 LEU 6 -5.411 -4.912 -4.912 40 2HD1 LEU 6 2HD1 LEU 6 -3.780 -5.346 -5.346 41 3HD1 LEU 6 1HD1 LEU 6 -4.480 -3.832 -3.832 42 1HD2 LEU 6 3HD2 LEU 6 -4.617 -5.116 -5.116 43 2HD2 LEU 6 2HD2 LEU 6 -3.024 -4.452 -4.452 44 3HD2 LEU 6 1HD2 LEU 6 -3.219 -5.747 -5.747 45 H LYS 7 H LYS 7 -4.361 0.484 0.484 46 HA LYS 7 HA LYS 7 -7.222 0.989 0.989 47 1HB LYS 7 2HB LYS 7 -5.115 2.488 2.488 48 2HB LYS 7 1HB LYS 7 -6.339 3.425 3.425 49 1HG LYS 7 2HG LYS 7 -8.135 2.459 2.459 50 2HG LYS 7 1HG LYS 7 -7.173 1.092 1.092 51 1HD LYS 7 2HD LYS 7 -6.049 2.234 2.234 52 2HD LYS 7 1HD LYS 7 -6.180 3.796 3.796 53 1HE LYS 7 2HE LYS 7 -8.509 2.304 2.304 54 2HE LYS 7 1HE LYS 7 -7.611 3.625 3.625 55 1HZ LYS 7 3HZ LYS 7 -8.440 4.414 4.414 56 2HZ LYS 7 2HZ LYS 7 -9.792 3.794 3.794 57 3HZ LYS 7 1HZ LYS 7 -8.910 5.070 5.070 58 H VAL 8 H VAL 8 -4.317 0.843 0.843 59 HA VAL 8 HA VAL 8 -4.762 3.143 3.143 60 HB VAL 8 HB VAL 8 -2.610 1.038 1.038 61 1HG1 VAL 8 2HG1 VAL 8 -3.082 2.520 2.520 62 2HG1 VAL 8 1HG1 VAL 8 -1.443 2.624 2.624 63 3HG1 VAL 8 3HG1 VAL 8 -2.175 1.058 1.058 64 1HG2 VAL 8 1HG2 VAL 8 -2.605 2.973 2.973 65 2HG2 VAL 8 3HG2 VAL 8 -1.194 3.033 3.033 66 3HG2 VAL 8 2HG2 VAL 8 -2.575 4.074 4.074 67 H LEU 9 H LEU 9 -4.651 -0.394 -0.394 68 HA LEU 9 HA LEU 9 -5.662 -0.340 -0.340 69 1HB LEU 9 2HB LEU 9 -5.165 -2.553 -2.553 70 2HB LEU 9 1HB LEU 9 -3.856 -1.831 -1.831 71 HG LEU 9 HG LEU 9 -6.088 -3.677 -3.677 72 1HD1 LEU 9 1HD1 LEU 9 -3.892 -4.524 -4.524 73 2HD1 LEU 9 3HD1 LEU 9 -3.065 -3.531 -3.531 74 3HD1 LEU 9 2HD1 LEU 9 -4.092 -4.863 -4.863 75 1HD2 LEU 9 1HD2 LEU 9 -6.054 -1.755 -1.755 76 2HD2 LEU 9 3HD2 LEU 9 -5.514 -3.266 -3.266 77 3HD2 LEU 9 2HD2 LEU 9 -4.331 -2.057 -2.057 78 H THR 10 H THR 10 -7.248 0.376 0.376 79 HA THR 10 HA THR 10 -9.540 -1.489 -1.489 80 HB THR 10 HB THR 10 -10.038 0.382 0.382 81 HG1 THR 10 HG1 THR 10 -7.512 -0.639 -0.639 82 1HG2 THR 10 2HG2 THR 10 -8.771 -2.428 -2.428 83 2HG2 THR 10 1HG2 THR 10 -9.227 -1.587 -1.587 84 3HG2 THR 10 3HG2 THR 10 -10.452 -2.041 -2.041 85 H THR 11 H THR 11 -8.436 1.606 1.606 86 HA THR 11 HA THR 11 -11.233 2.503 2.503 87 HB THR 11 HB THR 11 -8.870 4.450 4.450 88 HG1 THR 11 HG1 THR 11 -9.391 2.976 2.976 89 1HG2 THR 11 2HG2 THR 11 -11.358 5.122 5.122 90 2HG2 THR 11 1HG2 THR 11 -11.538 4.668 4.668 91 3HG2 THR 11 3HG2 THR 11 -10.463 5.982 5.982 92 H GLY 12 H GLY 12 -7.921 2.834 2.834 93 1HA GLY 12 2HA GLY 12 -8.825 1.685 1.685 94 2HA GLY 12 1HA GLY 12 -8.152 3.329 3.329 95 H LEU 13 H LEU 13 -6.130 3.300 3.300 96 HA LEU 13 HA LEU 13 -4.177 1.617 1.617 97 1HB LEU 13 2HB LEU 13 -5.037 1.173 1.173 98 2HB LEU 13 1HB LEU 13 -3.300 1.395 1.395 99 HG LEU 13 HG LEU 13 -4.826 -0.560 -0.560 100 1HD1 LEU 13 3HD1 LEU 13 -3.632 -0.924 -0.924 101 2HD1 LEU 13 2HD1 LEU 13 -3.841 -2.276 -2.276 102 3HD1 LEU 13 1HD1 LEU 13 -5.236 -1.365 -1.365 103 1HD2 LEU 13 1HD2 LEU 13 -1.879 -0.173 -0.173 104 2HD2 LEU 13 3HD2 LEU 13 -2.597 -0.007 -0.007 105 3HD2 LEU 13 2HD2 LEU 13 -2.480 -1.584 -1.584 106 HA PRO 14 HA DPR 14 -1.808 5.197 5.197 107 1HB PRO 14 2HB DPR 14 -2.326 6.551 6.551 108 2HB PRO 14 1HB DPR 14 -3.890 7.019 7.019 109 1HG PRO 14 2HG DPR 14 -3.186 4.605 4.605 110 2HG PRO 14 1HG DPR 14 -4.684 5.523 5.523 111 1HD PRO 14 2HD DPR 14 -4.489 3.104 3.104 112 2HD PRO 14 1HD DPR 14 -5.538 4.380 4.380 113 H ALA 15 H ALA 15 -1.841 5.345 5.345 114 HA ALA 15 HA ALA 15 -3.003 7.947 7.947 115 1HB ALA 15 1HB ALA 15 -0.541 7.587 7.587 116 2HB ALA 15 3HB ALA 15 -0.864 6.312 6.312 117 3HB ALA 15 2HB ALA 15 -1.328 7.975 7.975 118 H LEU 16 H LEU 16 -3.503 4.592 4.592 119 HA LEU 16 HA LEU 16 -4.236 4.407 4.407 120 1HB LEU 16 2HB LEU 16 -5.234 3.143 3.143 121 2HB LEU 16 1HB LEU 16 -6.160 2.858 2.858 122 HG LEU 16 HG LEU 16 -4.293 1.209 1.209 123 1HD1 LEU 16 1HD1 LEU 16 -4.585 2.533 2.533 124 2HD1 LEU 16 3HD1 LEU 16 -3.579 1.113 1.113 125 3HD1 LEU 16 2HD1 LEU 16 -5.292 1.031 1.031 126 1HD2 LEU 16 2HD2 LEU 16 -2.470 2.843 2.843 127 2HD2 LEU 16 1HD2 LEU 16 -2.013 1.702 1.702 128 3HD2 LEU 16 3HD2 LEU 16 -2.444 3.338 3.338 129 H ILE 17 H ILE 17 -6.281 5.734 5.734 130 HA ILE 17 HA ILE 17 -8.585 6.132 6.132 131 HB ILE 17 HB ILE 17 -8.707 8.184 8.184 132 1HG1 ILE 17 2HG1 ILE 17 -7.909 7.320 7.320 133 2HG1 ILE 17 1HG1 ILE 17 -7.103 5.984 5.984 134 1HG2 ILE 17 3HG2 ILE 17 -10.378 6.429 6.429 135 2HG2 ILE 17 2HG2 ILE 17 -9.392 5.278 5.278 136 3HG2 ILE 17 1HG2 ILE 17 -10.109 6.660 6.660 137 1HD1 ILE 17 2HD1 ILE 17 -6.487 8.763 8.763 138 2HD1 ILE 17 1HD1 ILE 17 -5.879 8.341 8.341 139 3HD1 ILE 17 3HD1 ILE 17 -5.415 7.390 7.390 140 H SER 18 H SER 18 -5.627 7.809 7.809 141 HA SER 18 HA SER 18 -6.655 10.108 10.108 142 1HB SER 18 2HB SER 18 -4.331 9.704 9.704 143 2HB SER 18 1HB SER 18 -4.027 10.759 10.759 144 HG SER 18 HG SER 18 -5.146 12.167 12.167 145 H TRP 19 H TRP 19 -5.576 7.151 7.151 146 HA TRP 19 HA TRP 19 -3.883 7.901 7.901 147 1HB TRP 19 2HB TRP 19 -3.466 5.945 5.945 148 2HB TRP 19 1HB TRP 19 -4.254 4.973 4.973 149 HD1 TRP 19 HD1 TRP 19 -0.963 5.487 5.487 150 HE1 TRP 19 HE1 TRP 19 0.793 5.443 5.443 151 HE3 TRP 19 HE3 TRP 19 -3.990 6.154 6.154 152 HZ2 TRP 19 HZ2 TRP 19 0.903 5.640 5.640 153 HZ3 TRP 19 HZ3 TRP 19 -2.945 6.196 6.196 154 HH2 TRP 19 HH2 TRP 19 -0.502 5.938 5.938 155 H ILE 20 H ILE 20 -6.300 5.306 5.306 156 HA ILE 20 HA ILE 20 -7.134 5.576 5.576 157 HB ILE 20 HB ILE 20 -7.240 3.547 3.547 158 1HG1 ILE 20 2HG1 ILE 20 -7.494 3.198 3.198 159 2HG1 ILE 20 1HG1 ILE 20 -5.951 3.434 3.434 160 1HG2 ILE 20 2HG2 ILE 20 -9.604 3.893 3.893 161 2HG2 ILE 20 1HG2 ILE 20 -9.311 2.458 2.458 162 3HG2 ILE 20 3HG2 ILE 20 -9.598 4.012 4.012 163 1HD1 ILE 20 3HD1 ILE 20 -6.462 1.420 1.420 164 2HD1 ILE 20 2HD1 ILE 20 -7.897 1.135 1.135 165 3HD1 ILE 20 1HD1 ILE 20 -6.312 1.046 1.046 166 H LYS 21 H LYS 21 -8.474 6.297 6.297 167 HA LYS 21 HA LYS 21 -11.086 6.823 6.823 168 1HB LYS 21 2HB LYS 21 -9.934 6.902 6.902 169 2HB LYS 21 1HB LYS 21 -10.654 8.472 8.472 170 1HG LYS 21 2HG LYS 21 -12.702 7.097 7.097 171 2HG LYS 21 1HG LYS 21 -11.952 5.706 5.706 172 1HD LYS 21 2HD LYS 21 -12.628 6.305 6.305 173 2HD LYS 21 1HD LYS 21 -12.052 7.956 7.956 174 1HE LYS 21 2HE LYS 21 -14.121 8.458 8.458 175 2HE LYS 21 1HE LYS 21 -14.701 6.834 6.834 176 1HZ LYS 21 2HZ LYS 21 -13.998 8.013 8.013 177 2HZ LYS 21 1HZ LYS 21 -14.926 9.131 9.131 178 3HZ LYS 21 3HZ LYS 21 -15.532 7.579 7.579 179 H ARG 22 H ARG 22 -8.078 8.392 8.392 180 HA ARG 22 HA ARG 22 -8.999 11.077 11.077 181 1HB ARG 22 2HB ARG 22 -6.813 10.768 10.768 182 2HB ARG 22 1HB ARG 22 -6.217 9.738 9.738 183 1HG ARG 22 2HG ARG 22 -7.006 12.179 12.179 184 2HG ARG 22 1HG ARG 22 -6.238 12.682 12.682 185 1HD ARG 22 2HD ARG 22 -4.944 10.669 10.669 186 2HD ARG 22 1HD ARG 22 -4.688 12.396 12.396 187 HE ARG 22 HE ARG 22 -3.998 10.846 10.846 188 1HH1 ARG 22 1HH2 ARG 22 -4.068 13.849 13.849 189 2HH1 ARG 22 2HH2 ARG 22 -2.397 14.280 14.280 190 1HH2 ARG 22 2HH1 ARG 22 -1.607 10.776 10.776 191 2HH2 ARG 22 1HH1 ARG 22 -0.830 12.310 12.310 192 H LYS 23 H LYS 23 -7.115 8.612 8.612 193 HA LYS 23 HA LYS 23 -7.301 9.569 9.569 194 1HB LYS 23 2HB LYS 23 -6.022 7.509 7.509 195 2HB LYS 23 1HB LYS 23 -7.514 6.610 6.610 196 1HG LYS 23 2HG LYS 23 -6.863 8.137 8.137 197 2HG LYS 23 1HG LYS 23 -5.540 7.108 7.108 198 1HD LYS 23 2HD LYS 23 -6.783 5.722 5.722 199 2HD LYS 23 1HD LYS 23 -7.275 5.182 5.182 200 1HE LYS 23 2HE LYS 23 -9.403 6.264 6.264 201 2HE LYS 23 1HE LYS 23 -8.876 7.350 7.350 202 1HZ LYS 23 1HZ LYS 23 -8.642 4.710 4.710 203 2HZ LYS 23 3HZ LYS 23 -10.191 4.897 4.897 204 3HZ LYS 23 2HZ LYS 23 -9.638 5.957 5.957 205 H ARG 24 H ARG 24 -9.655 7.750 7.750 206 HA ARG 24 HA ARG 24 -11.512 7.262 7.262 207 1HB ARG 24 2HB ARG 24 -11.650 7.231 7.231 208 2HB ARG 24 1HB ARG 24 -13.144 7.187 7.187 209 1HG ARG 24 2HG ARG 24 -11.626 5.250 5.250 210 2HG ARG 24 1HG ARG 24 -11.071 5.079 5.079 211 1HD ARG 24 2HD ARG 24 -13.038 3.623 3.623 212 2HD ARG 24 1HD ARG 24 -13.352 4.738 4.738 213 HE ARG 24 HE ARG 24 -14.223 5.393 5.393 214 1HH1 ARG 24 2HH1 ARG 24 -15.045 7.556 7.556 215 2HH1 ARG 24 1HH1 ARG 24 -16.526 7.161 7.161 216 1HH2 ARG 24 1HH2 ARG 24 -15.858 3.682 3.682 217 2HH2 ARG 24 2HH2 ARG 24 -17.034 4.762 4.762 218 H GLN 25 H GLN 25 -10.890 10.047 10.047 219 HA GLN 25 HA GLN 25 -13.439 11.332 11.332 220 1HB GLN 25 2HB GLN 25 -11.308 12.173 12.173 221 2HB GLN 25 1HB GLN 25 -12.661 13.195 13.195 222 1HG GLN 25 2HG GLN 25 -12.872 10.375 10.375 223 2HG GLN 25 1HG GLN 25 -13.100 11.847 11.847 224 1HE2 GLN 25 2HE2 GLN 25 -16.155 12.328 12.328 225 2HE2 GLN 25 1HE2 GLN 25 -14.643 13.087 13.087 226 H GLN 26 H GLN 26 -9.970 11.796 11.796 227 HA GLN 26 HA GLN 26 -10.221 13.535 13.535 228 1HB GLN 26 2HB GLN 26 -9.530 14.515 14.515 229 2HB GLN 26 1HB GLN 26 -7.945 13.980 13.980 230 1HG GLN 26 2HG GLN 26 -9.694 15.736 15.736 231 2HG GLN 26 1HG GLN 26 -8.674 16.440 16.440 232 1HE2 GLN 26 2HE2 GLN 26 -5.673 15.806 15.806 233 2HE2 GLN 26 1HE2 GLN 26 -6.301 16.203 16.203 234 1HN NH2 27 1HT GLN 26 -8.961 12.774 12.774 235 2HN NH2 27 2HT GLN 26 -7.694 11.661 11.661 Start of MODEL 9 1 1H GLY 1 2H GLY 1 4.443 -3.919 -3.919 2 2H GLY 1 1H GLY 1 5.612 -3.241 -3.241 3 3H GLY 1 3H GLY 1 5.503 -4.934 -4.934 4 1HA GLY 1 2HA GLY 1 3.992 -5.037 -5.037 5 2HA GLY 1 1HA GLY 1 4.120 -3.270 -3.270 6 H ILE 2 H ILE 2 1.574 -4.131 -4.131 7 HA ILE 2 HA ILE 2 0.248 -3.765 -3.765 8 HB ILE 2 HB ILE 2 -1.722 -4.874 -4.874 9 1HG1 ILE 2 2HG1 ILE 2 -1.063 -4.431 -4.431 10 2HG1 ILE 2 1HG1 ILE 2 -1.613 -6.030 -6.030 11 1HG2 ILE 2 2HG2 ILE 2 0.879 -6.340 -6.340 12 2HG2 ILE 2 1HG2 ILE 2 -0.584 -7.202 -7.202 13 3HG2 ILE 2 3HG2 ILE 2 -0.542 -6.261 -6.261 14 1HD1 ILE 2 2HD1 ILE 2 1.230 -6.181 -6.181 15 2HD1 ILE 2 1HD1 ILE 2 0.920 -5.310 -5.310 16 3HD1 ILE 2 3HD1 ILE 2 0.235 -6.894 -6.894 17 H GLY 3 H GLY 3 0.206 -2.769 -2.769 18 1HA GLY 3 2HA GLY 3 -1.672 -1.312 -1.312 19 2HA GLY 3 1HA GLY 3 -0.161 -0.464 -0.464 20 H ALA 4 H ALA 4 -0.002 0.324 0.324 21 HA ALA 4 HA ALA 4 -2.410 2.053 2.053 22 1HB ALA 4 1HB ALA 4 -0.131 3.129 3.129 23 2HB ALA 4 3HB ALA 4 0.328 2.372 2.372 24 3HB ALA 4 2HB ALA 4 -0.974 3.545 3.545 25 H VAL 5 H VAL 5 -0.527 -0.404 -0.404 26 HA VAL 5 HA VAL 5 -1.357 -0.067 -0.067 27 HB VAL 5 HB VAL 5 -1.078 -2.792 -2.792 28 1HG1 VAL 5 2HG1 VAL 5 -1.759 -2.504 -2.504 29 2HG1 VAL 5 1HG1 VAL 5 -0.083 -2.042 -2.042 30 3HG1 VAL 5 3HG1 VAL 5 -0.471 -3.627 -3.627 31 1HG2 VAL 5 3HG2 VAL 5 1.097 -0.797 -0.797 32 2HG2 VAL 5 2HG2 VAL 5 0.924 -1.667 -1.667 33 3HG2 VAL 5 1HG2 VAL 5 1.436 -2.519 -2.519 34 H LEU 6 H LEU 6 -2.805 -1.718 -1.718 35 HA LEU 6 HA LEU 6 -5.148 -2.719 -2.719 36 1HB LEU 6 2HB LEU 6 -4.910 -1.774 -1.774 37 2HB LEU 6 1HB LEU 6 -6.137 -2.851 -2.851 38 HG LEU 6 HG LEU 6 -3.139 -3.437 -3.437 39 1HD1 LEU 6 1HD1 LEU 6 -5.469 -4.446 -4.446 40 2HD1 LEU 6 3HD1 LEU 6 -3.888 -5.203 -5.203 41 3HD1 LEU 6 2HD1 LEU 6 -4.065 -3.546 -3.546 42 1HD2 LEU 6 2HD2 LEU 6 -5.503 -5.053 -5.053 43 2HD2 LEU 6 1HD2 LEU 6 -4.002 -4.682 -4.682 44 3HD2 LEU 6 3HD2 LEU 6 -4.010 -5.835 -5.835 45 H LYS 7 H LYS 7 -4.316 0.469 0.469 46 HA LYS 7 HA LYS 7 -7.128 1.458 1.458 47 1HB LYS 7 2HB LYS 7 -4.548 2.937 2.937 48 2HB LYS 7 1HB LYS 7 -6.150 3.635 3.635 49 1HG LYS 7 2HG LYS 7 -5.476 1.161 1.161 50 2HG LYS 7 1HG LYS 7 -5.034 2.747 2.747 51 1HD LYS 7 2HD LYS 7 -7.566 3.392 3.392 52 2HD LYS 7 1HD LYS 7 -7.834 1.683 1.683 53 1HE LYS 7 2HE LYS 7 -8.324 2.210 2.210 54 2HE LYS 7 1HE LYS 7 -6.878 1.213 1.213 55 1HZ LYS 7 1HZ LYS 7 -6.139 3.930 3.930 56 2HZ LYS 7 3HZ LYS 7 -7.160 3.765 3.765 57 3HZ LYS 7 2HZ LYS 7 -5.749 2.833 2.833 58 H VAL 8 H VAL 8 -4.535 0.824 0.824 59 HA VAL 8 HA VAL 8 -4.977 3.037 3.037 60 HB VAL 8 HB VAL 8 -3.038 0.675 0.675 61 1HG1 VAL 8 2HG1 VAL 8 -3.613 1.127 1.127 62 2HG1 VAL 8 1HG1 VAL 8 -2.811 2.686 2.686 63 3HG1 VAL 8 3HG1 VAL 8 -1.924 1.193 1.193 64 1HG2 VAL 8 3HG2 VAL 8 -2.608 3.696 3.696 65 2HG2 VAL 8 2HG2 VAL 8 -2.537 2.598 2.598 66 3HG2 VAL 8 1HG2 VAL 8 -1.328 2.500 2.500 67 H LEU 9 H LEU 9 -5.131 -0.498 -0.498 68 HA LEU 9 HA LEU 9 -6.492 -0.765 -0.765 69 1HB LEU 9 2HB LEU 9 -6.744 -2.945 -2.945 70 2HB LEU 9 1HB LEU 9 -6.376 -3.050 -3.050 71 HG LEU 9 HG LEU 9 -4.528 -2.169 -2.169 72 1HD1 LEU 9 3HD1 LEU 9 -4.882 -4.577 -4.577 73 2HD1 LEU 9 2HD1 LEU 9 -4.399 -4.590 -4.590 74 3HD1 LEU 9 1HD1 LEU 9 -3.234 -4.168 -4.168 75 1HD2 LEU 9 2HD2 LEU 9 -4.378 -1.493 -1.493 76 2HD2 LEU 9 1HD2 LEU 9 -3.214 -1.114 -1.114 77 3HD2 LEU 9 3HD2 LEU 9 -3.078 -2.609 -2.609 78 H THR 10 H THR 10 -7.635 0.721 0.721 79 HA THR 10 HA THR 10 -10.359 -0.414 -0.414 80 HB THR 10 HB THR 10 -10.057 1.695 1.695 81 HG1 THR 10 HG1 THR 10 -8.001 -0.202 -0.202 82 1HG2 THR 10 1HG2 THR 10 -9.883 -1.383 -1.383 83 2HG2 THR 10 3HG2 THR 10 -10.050 -0.304 -0.304 84 3HG2 THR 10 2HG2 THR 10 -11.339 -0.425 -0.425 85 H THR 11 H THR 11 -8.368 1.970 1.970 86 HA THR 11 HA THR 11 -10.729 3.621 3.621 87 HB THR 11 HB THR 11 -8.047 4.976 4.976 88 HG1 THR 11 HG1 THR 11 -8.812 3.746 3.746 89 1HG2 THR 11 3HG2 THR 11 -10.727 5.662 5.662 90 2HG2 THR 11 2HG2 THR 11 -9.326 6.710 6.710 91 3HG2 THR 11 1HG2 THR 11 -10.062 6.359 6.359 92 H GLY 12 H GLY 12 -7.730 2.039 2.039 93 1HA GLY 12 2HA GLY 12 -8.235 1.122 1.122 94 2HA GLY 12 1HA GLY 12 -7.746 2.789 2.789 95 H LEU 13 H LEU 13 -5.790 3.147 3.147 96 HA LEU 13 HA LEU 13 -3.723 1.869 1.869 97 1HB LEU 13 2HB LEU 13 -3.895 1.629 1.629 98 2HB LEU 13 1HB LEU 13 -2.330 1.637 1.637 99 HG LEU 13 HG LEU 13 -3.913 -0.203 -0.203 100 1HD1 LEU 13 3HD1 LEU 13 -5.369 -0.005 -0.005 101 2HD1 LEU 13 2HD1 LEU 13 -4.196 -1.199 -1.199 102 3HD1 LEU 13 1HD1 LEU 13 -5.187 -1.500 -1.500 103 1HD2 LEU 13 2HD2 LEU 13 -1.873 -0.778 -0.778 104 2HD2 LEU 13 1HD2 LEU 13 -1.531 -0.473 -0.473 105 3HD2 LEU 13 3HD2 LEU 13 -2.414 -1.913 -1.913 106 HA PRO 14 HA DPR 14 -2.168 5.796 5.796 107 1HB PRO 14 2HB DPR 14 -3.105 6.868 6.868 108 2HB PRO 14 1HB DPR 14 -4.634 7.144 7.144 109 1HG PRO 14 2HG DPR 14 -3.771 4.699 4.699 110 2HG PRO 14 1HG DPR 14 -5.375 5.416 5.416 111 1HD PRO 14 2HD DPR 14 -4.780 3.190 3.190 112 2HD PRO 14 1HD DPR 14 -5.812 4.441 4.441 113 H ALA 15 H ALA 15 -1.955 6.112 6.112 114 HA ALA 15 HA ALA 15 -3.480 8.492 8.492 115 1HB ALA 15 2HB ALA 15 -1.007 8.728 8.728 116 2HB ALA 15 1HB ALA 15 -0.879 7.336 7.336 117 3HB ALA 15 3HB ALA 15 -1.647 8.806 8.806 118 H LEU 16 H LEU 16 -3.096 5.150 5.150 119 HA LEU 16 HA LEU 16 -3.521 5.088 5.088 120 1HB LEU 16 2HB LEU 16 -3.994 3.275 3.275 121 2HB LEU 16 1HB LEU 16 -5.139 2.987 2.987 122 HG LEU 16 HG LEU 16 -2.278 3.488 3.488 123 1HD1 LEU 16 2HD1 LEU 16 -1.868 2.098 2.098 124 2HD1 LEU 16 1HD1 LEU 16 -2.979 0.868 0.868 125 3HD1 LEU 16 3HD1 LEU 16 -1.508 1.257 1.257 126 1HD2 LEU 16 3HD2 LEU 16 -4.234 2.911 2.911 127 2HD2 LEU 16 2HD2 LEU 16 -2.800 1.921 1.921 128 3HD2 LEU 16 1HD2 LEU 16 -4.193 1.293 1.293 129 H ILE 17 H ILE 17 -6.038 5.716 5.716 130 HA ILE 17 HA ILE 17 -8.253 5.530 5.530 131 HB ILE 17 HB ILE 17 -9.027 7.475 7.475 132 1HG1 ILE 17 2HG1 ILE 17 -7.948 7.260 7.260 133 2HG1 ILE 17 1HG1 ILE 17 -6.666 6.282 6.282 134 1HG2 ILE 17 3HG2 ILE 17 -8.531 4.570 4.570 135 2HG2 ILE 17 2HG2 ILE 17 -9.516 5.625 5.625 136 3HG2 ILE 17 1HG2 ILE 17 -10.006 5.284 5.284 137 1HD1 ILE 17 1HD1 ILE 17 -7.225 8.969 8.969 138 2HD1 ILE 17 3HD1 ILE 17 -6.433 8.900 8.900 139 3HD1 ILE 17 2HD1 ILE 17 -5.692 8.115 8.115 140 H SER 18 H SER 18 -5.838 7.981 7.981 141 HA SER 18 HA SER 18 -7.260 9.820 9.820 142 1HB SER 18 2HB SER 18 -5.064 10.154 10.154 143 2HB SER 18 1HB SER 18 -5.123 11.284 11.284 144 HG SER 18 HG SER 18 -6.728 11.227 11.227 145 H TRP 19 H TRP 19 -5.561 7.276 7.276 146 HA TRP 19 HA TRP 19 -3.714 8.196 8.196 147 1HB TRP 19 2HB TRP 19 -3.217 6.581 6.581 148 2HB TRP 19 1HB TRP 19 -3.789 5.313 5.313 149 HD1 TRP 19 HD1 TRP 19 -0.834 6.076 6.076 150 HE1 TRP 19 HE1 TRP 19 1.249 5.895 5.895 151 HE3 TRP 19 HE3 TRP 19 -3.088 6.315 6.315 152 HZ2 TRP 19 HZ2 TRP 19 1.818 5.866 5.866 153 HZ3 TRP 19 HZ3 TRP 19 -1.678 6.201 6.201 154 HH2 TRP 19 HH2 TRP 19 0.771 5.976 5.976 155 H ILE 20 H ILE 20 -5.864 5.378 5.378 156 HA ILE 20 HA ILE 20 -6.285 5.324 5.324 157 HB ILE 20 HB ILE 20 -6.362 3.372 3.372 158 1HG1 ILE 20 2HG1 ILE 20 -6.290 1.797 1.797 159 2HG1 ILE 20 1HG1 ILE 20 -6.382 3.207 3.207 160 1HG2 ILE 20 3HG2 ILE 20 -8.771 3.433 3.433 161 2HG2 ILE 20 2HG2 ILE 20 -8.315 2.065 2.065 162 3HG2 ILE 20 1HG2 ILE 20 -8.779 3.592 3.592 163 1HD1 ILE 20 3HD1 ILE 20 -4.298 4.065 4.065 164 2HD1 ILE 20 2HD1 ILE 20 -4.169 2.385 2.385 165 3HD1 ILE 20 1HD1 ILE 20 -4.028 2.825 2.825 166 H LYS 21 H LYS 21 -8.235 5.926 5.926 167 HA LYS 21 HA LYS 21 -10.629 6.158 6.158 168 1HB LYS 21 2HB LYS 21 -10.111 6.139 6.139 169 2HB LYS 21 1HB LYS 21 -10.811 7.702 7.702 170 1HG LYS 21 2HG LYS 21 -12.464 6.041 6.041 171 2HG LYS 21 1HG LYS 21 -12.040 4.976 4.976 172 1HD LYS 21 2HD LYS 21 -13.039 6.386 6.386 173 2HD LYS 21 1HD LYS 21 -12.999 7.793 7.793 174 1HE LYS 21 2HE LYS 21 -14.672 6.656 6.656 175 2HE LYS 21 1HE LYS 21 -14.797 5.342 5.342 176 1HZ LYS 21 1HZ LYS 21 -15.198 7.749 7.749 177 2HZ LYS 21 3HZ LYS 21 -16.106 7.816 7.816 178 3HZ LYS 21 2HZ LYS 21 -16.340 6.528 6.528 179 H ARG 22 H ARG 22 -8.035 8.312 8.312 180 HA ARG 22 HA ARG 22 -9.421 10.752 10.752 181 1HB ARG 22 2HB ARG 22 -7.173 10.386 10.386 182 2HB ARG 22 1HB ARG 22 -6.437 10.131 10.131 183 1HG ARG 22 2HG ARG 22 -6.597 12.414 12.414 184 2HG ARG 22 1HG ARG 22 -8.087 12.659 12.659 185 1HD ARG 22 2HD ARG 22 -6.905 12.722 12.722 186 2HD ARG 22 1HD ARG 22 -5.392 12.231 12.231 187 HE ARG 22 HE ARG 22 -6.739 14.837 14.837 188 1HH1 ARG 22 2HH1 ARG 22 -4.441 13.712 13.712 189 2HH1 ARG 22 1HH1 ARG 22 -3.074 14.558 14.558 190 1HH2 ARG 22 1HH2 ARG 22 -4.982 15.611 15.611 191 2HH2 ARG 22 2HH2 ARG 22 -3.417 15.729 15.729 192 H LYS 23 H LYS 23 -7.795 8.395 8.395 193 HA LYS 23 HA LYS 23 -8.350 10.024 10.024 194 1HB LYS 23 2HB LYS 23 -7.206 8.165 8.165 195 2HB LYS 23 1HB LYS 23 -6.194 8.914 8.914 196 1HG LYS 23 2HG LYS 23 -6.604 7.092 7.092 197 2HG LYS 23 1HG LYS 23 -7.728 6.318 6.318 198 1HD LYS 23 2HD LYS 23 -5.025 6.833 6.833 199 2HD LYS 23 1HD LYS 23 -4.983 5.821 5.821 200 1HE LYS 23 2HE LYS 23 -5.261 4.282 4.282 201 2HE LYS 23 1HE LYS 23 -6.843 4.392 4.392 202 1HZ LYS 23 3HZ LYS 23 -6.648 6.422 6.422 203 2HZ LYS 23 2HZ LYS 23 -6.148 4.968 4.968 204 3HZ LYS 23 1HZ LYS 23 -7.681 5.082 5.082 205 H ARG 24 H ARG 24 -9.555 6.998 6.998 206 HA ARG 24 HA ARG 24 -11.130 6.204 6.204 207 1HB ARG 24 2HB ARG 24 -10.801 5.273 5.273 208 2HB ARG 24 1HB ARG 24 -12.506 5.631 5.631 209 1HG ARG 24 2HG ARG 24 -12.088 4.280 4.280 210 2HG ARG 24 1HG ARG 24 -10.837 3.557 3.557 211 1HD ARG 24 2HD ARG 24 -12.713 2.156 2.156 212 2HD ARG 24 1HD ARG 24 -12.722 3.163 3.163 213 HE ARG 24 HE ARG 24 -14.475 4.588 4.588 214 1HH1 ARG 24 1HH2 ARG 24 -14.469 3.751 3.751 215 2HH1 ARG 24 2HH2 ARG 24 -15.637 2.498 2.498 216 1HH2 ARG 24 2HH1 ARG 24 -15.631 1.978 1.978 217 2HH2 ARG 24 1HH1 ARG 24 -16.351 1.404 1.404 218 H GLN 25 H GLN 25 -11.518 8.745 8.745 219 HA GLN 25 HA GLN 25 -14.348 9.205 9.205 220 1HB GLN 25 2HB GLN 25 -12.643 10.534 10.534 221 2HB GLN 25 1HB GLN 25 -14.313 10.954 10.954 222 1HG GLN 25 2HG GLN 25 -14.797 8.383 8.383 223 2HG GLN 25 1HG GLN 25 -13.231 8.375 8.375 224 1HE2 GLN 25 2HE2 GLN 25 -14.888 11.060 11.060 225 2HE2 GLN 25 1HE2 GLN 25 -13.813 11.299 11.299 226 H GLN 26 H GLN 26 -11.415 9.932 9.932 227 HA GLN 26 HA GLN 26 -12.245 12.634 12.634 228 1HB GLN 26 2HB GLN 26 -10.013 12.281 12.281 229 2HB GLN 26 1HB GLN 26 -9.374 11.616 11.616 230 1HG GLN 26 2HG GLN 26 -9.974 13.722 13.722 231 2HG GLN 26 1HG GLN 26 -10.600 14.391 14.391 232 1HE2 GLN 26 2HE2 GLN 26 -7.340 15.795 15.795 233 2HE2 GLN 26 1HE2 GLN 26 -8.953 16.127 16.127 234 1HN NH2 27 1HT GLN 26 -12.983 9.977 9.977 235 2HN NH2 27 2HT GLN 26 -12.395 9.895 9.895 Start of MODEL 10 1 1H GLY 1 1H GLY 1 4.204 1.706 1.706 2 2H GLY 1 3H GLY 1 4.612 2.104 2.104 3 3H GLY 1 2H GLY 1 5.586 1.021 1.021 4 1HA GLY 1 2HA GLY 1 4.328 -0.699 -0.699 5 2HA GLY 1 1HA GLY 1 3.308 0.434 0.434 6 H ILE 2 H ILE 2 1.925 -1.615 -1.615 7 HA ILE 2 HA ILE 2 1.107 -0.837 -0.837 8 HB ILE 2 HB ILE 2 -0.655 -2.682 -2.682 9 1HG1 ILE 2 2HG1 ILE 2 1.259 -3.509 -3.509 10 2HG1 ILE 2 1HG1 ILE 2 -0.157 -2.525 -2.525 11 1HG2 ILE 2 2HG2 ILE 2 2.351 -3.181 -3.181 12 2HG2 ILE 2 1HG2 ILE 2 1.198 -4.493 -4.493 13 3HG2 ILE 2 3HG2 ILE 2 1.186 -3.211 -3.211 14 1HD1 ILE 2 1HD1 ILE 2 -0.509 -5.084 -5.084 15 2HD1 ILE 2 3HD1 ILE 2 -0.331 -5.138 -5.138 16 3HD1 ILE 2 2HD1 ILE 2 -1.651 -4.235 -4.235 17 H GLY 3 H GLY 3 0.635 1.336 1.336 18 1HA GLY 3 2HA GLY 3 -2.071 1.560 1.560 19 2HA GLY 3 1HA GLY 3 -0.904 2.864 2.864 20 H ALA 4 H ALA 4 -0.313 2.457 2.457 21 HA ALA 4 HA ALA 4 -2.782 3.640 3.640 22 1HB ALA 4 2HB ALA 4 0.144 3.649 3.649 23 2HB ALA 4 1HB ALA 4 -1.200 4.388 4.388 24 3HB ALA 4 3HB ALA 4 -0.703 5.020 5.020 25 H VAL 5 H VAL 5 -0.154 1.465 1.465 26 HA VAL 5 HA VAL 5 -0.480 0.066 0.066 27 HB VAL 5 HB VAL 5 -0.197 -1.465 -1.465 28 1HG1 VAL 5 3HG1 VAL 5 -0.039 -2.696 -2.696 29 2HG1 VAL 5 2HG1 VAL 5 1.373 -1.722 -1.722 30 3HG1 VAL 5 1HG1 VAL 5 1.404 -2.821 -2.821 31 1HG2 VAL 5 1HG2 VAL 5 1.784 0.487 0.487 32 2HG2 VAL 5 3HG2 VAL 5 1.245 0.478 0.478 33 3HG2 VAL 5 2HG2 VAL 5 2.311 -0.777 -0.777 34 H LEU 6 H LEU 6 -2.769 -0.179 -0.179 35 HA LEU 6 HA LEU 6 -4.197 -2.410 -2.410 36 1HB LEU 6 2HB LEU 6 -5.162 -0.921 -0.921 37 2HB LEU 6 1HB LEU 6 -5.561 -2.543 -2.543 38 HG LEU 6 HG LEU 6 -2.774 -1.653 -1.653 39 1HD1 LEU 6 3HD1 LEU 6 -5.048 -3.098 -3.098 40 2HD1 LEU 6 2HD1 LEU 6 -3.386 -3.277 -3.277 41 3HD1 LEU 6 1HD1 LEU 6 -4.132 -1.699 -1.699 42 1HD2 LEU 6 1HD2 LEU 6 -3.887 -4.373 -4.373 43 2HD2 LEU 6 3HD2 LEU 6 -2.542 -3.514 -3.514 44 3HD2 LEU 6 2HD2 LEU 6 -2.383 -4.187 -4.187 45 H LYS 7 H LYS 7 -4.984 0.829 0.829 46 HA LYS 7 HA LYS 7 -7.500 1.263 1.263 47 1HB LYS 7 2HB LYS 7 -5.342 3.397 3.397 48 2HB LYS 7 1HB LYS 7 -7.068 3.611 3.611 49 1HG LYS 7 2HG LYS 7 -6.577 2.002 2.002 50 2HG LYS 7 1HG LYS 7 -4.977 2.694 2.694 51 1HD LYS 7 2HD LYS 7 -6.320 4.998 4.998 52 2HD LYS 7 1HD LYS 7 -7.589 4.059 4.059 53 1HE LYS 7 2HE LYS 7 -5.794 3.329 3.329 54 2HE LYS 7 1HE LYS 7 -4.739 4.522 4.522 55 1HZ LYS 7 2HZ LYS 7 -7.192 5.790 5.790 56 2HZ LYS 7 1HZ LYS 7 -6.712 4.952 4.952 57 3HZ LYS 7 3HZ LYS 7 -5.671 6.071 6.071 58 H VAL 8 H VAL 8 -4.387 1.580 1.580 59 HA VAL 8 HA VAL 8 -4.813 2.656 2.656 60 HB VAL 8 HB VAL 8 -2.929 0.449 0.449 61 1HG1 VAL 8 2HG1 VAL 8 -2.606 2.061 2.061 62 2HG1 VAL 8 1HG1 VAL 8 -1.414 0.968 0.968 63 3HG1 VAL 8 3HG1 VAL 8 -2.941 0.342 0.342 64 1HG2 VAL 8 3HG2 VAL 8 -2.951 3.032 3.032 65 2HG2 VAL 8 2HG2 VAL 8 -1.477 2.095 2.095 66 3HG2 VAL 8 1HG2 VAL 8 -1.911 3.232 3.232 67 H LEU 9 H LEU 9 -5.147 -0.683 -0.683 68 HA LEU 9 HA LEU 9 -6.197 -1.505 -1.505 69 1HB LEU 9 2HB LEU 9 -6.012 -3.314 -3.314 70 2HB LEU 9 1HB LEU 9 -5.829 -3.728 -3.728 71 HG LEU 9 HG LEU 9 -3.830 -1.990 -1.990 72 1HD1 LEU 9 1HD1 LEU 9 -3.953 -4.214 -4.214 73 2HD1 LEU 9 3HD1 LEU 9 -3.671 -4.959 -4.959 74 3HD1 LEU 9 2HD1 LEU 9 -2.420 -3.971 -3.971 75 1HD2 LEU 9 3HD2 LEU 9 -3.775 -1.752 -1.752 76 2HD2 LEU 9 2HD2 LEU 9 -2.319 -2.531 -2.531 77 3HD2 LEU 9 1HD2 LEU 9 -3.580 -3.491 -3.491 78 H THR 10 H THR 10 -7.713 0.150 0.150 79 HA THR 10 HA THR 10 -10.201 -1.517 -1.517 80 HB THR 10 HB THR 10 -10.542 0.184 0.184 81 HG1 THR 10 HG1 THR 10 -7.878 -0.839 -0.839 82 1HG2 THR 10 2HG2 THR 10 -9.711 -2.752 -2.752 83 2HG2 THR 10 1HG2 THR 10 -9.997 -2.015 -2.015 84 3HG2 THR 10 3HG2 THR 10 -11.301 -2.127 -2.127 85 H THR 11 H THR 11 -9.004 1.845 1.845 86 HA THR 11 HA THR 11 -11.640 2.807 2.807 87 HB THR 11 HB THR 11 -9.075 4.471 4.471 88 HG1 THR 11 HG1 THR 11 -10.869 4.295 4.295 89 1HG2 THR 11 3HG2 THR 11 -12.108 5.043 5.043 90 2HG2 THR 11 2HG2 THR 11 -10.878 6.168 6.168 91 3HG2 THR 11 1HG2 THR 11 -10.986 5.764 5.764 92 H GLY 12 H GLY 12 -8.364 2.531 2.531 93 1HA GLY 12 2HA GLY 12 -9.465 2.429 2.429 94 2HA GLY 12 1HA GLY 12 -8.463 3.838 3.838 95 H LEU 13 H LEU 13 -6.479 3.594 3.594 96 HA LEU 13 HA LEU 13 -4.733 1.426 1.426 97 1HB LEU 13 2HB LEU 13 -5.987 1.472 1.472 98 2HB LEU 13 1HB LEU 13 -4.229 1.413 1.413 99 HG LEU 13 HG LEU 13 -5.615 -0.458 -0.458 100 1HD1 LEU 13 3HD1 LEU 13 -5.806 -0.569 -0.569 101 2HD1 LEU 13 2HD1 LEU 13 -5.447 -2.068 -2.068 102 3HD1 LEU 13 1HD1 LEU 13 -6.899 -1.173 -1.173 103 1HD2 LEU 13 1HD2 LEU 13 -3.052 -0.125 -0.125 104 2HD2 LEU 13 3HD2 LEU 13 -3.653 -1.762 -1.762 105 3HD2 LEU 13 2HD2 LEU 13 -3.196 -0.936 -0.936 106 HA PRO 14 HA DPR 14 -2.097 4.884 4.884 107 1HB PRO 14 2HB DPR 14 -2.443 6.159 6.159 108 2HB PRO 14 1HB DPR 14 -4.023 6.723 6.723 109 1HG PRO 14 2HG DPR 14 -3.333 4.164 4.164 110 2HG PRO 14 1HG DPR 14 -4.760 5.176 5.176 111 1HD PRO 14 2HD DPR 14 -4.847 2.875 2.875 112 2HD PRO 14 1HD DPR 14 -5.793 4.300 4.300 113 H ALA 15 H ALA 15 -1.840 5.580 5.580 114 HA ALA 15 HA ALA 15 -3.470 7.898 7.898 115 1HB ALA 15 3HB ALA 15 -0.901 8.001 8.001 116 2HB ALA 15 2HB ALA 15 -0.900 6.942 6.942 117 3HB ALA 15 1HB ALA 15 -1.636 8.526 8.526 118 H LEU 16 H LEU 16 -3.296 4.557 4.557 119 HA LEU 16 HA LEU 16 -3.448 4.499 4.499 120 1HB LEU 16 2HB LEU 16 -4.703 2.895 2.895 121 2HB LEU 16 1HB LEU 16 -5.238 2.585 2.585 122 HG LEU 16 HG LEU 16 -3.290 1.181 1.181 123 1HD1 LEU 16 2HD1 LEU 16 -2.951 2.773 2.773 124 2HD1 LEU 16 1HD1 LEU 16 -2.140 1.262 1.262 125 3HD1 LEU 16 3HD1 LEU 16 -3.883 1.299 1.299 126 1HD2 LEU 16 1HD2 LEU 16 -1.911 2.910 2.910 127 2HD2 LEU 16 3HD2 LEU 16 -1.013 2.088 2.088 128 3HD2 LEU 16 2HD2 LEU 16 -1.640 3.692 3.692 129 H ILE 17 H ILE 17 -6.078 5.260 5.260 130 HA ILE 17 HA ILE 17 -8.058 5.442 5.442 131 HB ILE 17 HB ILE 17 -8.921 7.231 7.231 132 1HG1 ILE 17 2HG1 ILE 17 -8.296 6.466 6.466 133 2HG1 ILE 17 1HG1 ILE 17 -7.069 5.408 5.408 134 1HG2 ILE 17 1HG2 ILE 17 -9.978 5.038 5.038 135 2HG2 ILE 17 3HG2 ILE 17 -8.891 4.220 4.220 136 3HG2 ILE 17 2HG2 ILE 17 -10.082 5.361 5.361 137 1HD1 ILE 17 2HD1 ILE 17 -6.997 8.340 8.340 138 2HD1 ILE 17 1HD1 ILE 17 -6.515 7.841 7.841 139 3HD1 ILE 17 3HD1 ILE 17 -5.659 7.210 7.210 140 H SER 18 H SER 18 -5.760 7.802 7.802 141 HA SER 18 HA SER 18 -6.691 10.037 10.037 142 1HB SER 18 2HB SER 18 -3.808 9.810 9.810 143 2HB SER 18 1HB SER 18 -4.895 11.194 11.194 144 HG SER 18 HG SER 18 -4.961 10.394 10.394 145 H TRP 19 H TRP 19 -5.205 7.300 7.300 146 HA TRP 19 HA TRP 19 -3.702 8.355 8.355 147 1HB TRP 19 2HB TRP 19 -3.057 6.427 6.427 148 2HB TRP 19 1HB TRP 19 -3.656 5.398 5.398 149 HD1 TRP 19 HD1 TRP 19 -0.557 6.492 6.492 150 HE1 TRP 19 HE1 TRP 19 1.330 6.494 6.494 151 HE3 TRP 19 HE3 TRP 19 -3.312 6.286 6.286 152 HZ2 TRP 19 HZ2 TRP 19 1.632 6.428 6.428 153 HZ3 TRP 19 HZ3 TRP 19 -2.109 6.255 6.255 154 HH2 TRP 19 HH2 TRP 19 0.365 6.326 6.326 155 H ILE 20 H ILE 20 -5.621 5.327 5.327 156 HA ILE 20 HA ILE 20 -6.548 5.697 5.697 157 HB ILE 20 HB ILE 20 -6.281 3.556 3.556 158 1HG1 ILE 20 2HG1 ILE 20 -5.098 3.802 3.802 159 2HG1 ILE 20 1HG1 ILE 20 -5.730 2.222 2.222 160 1HG2 ILE 20 3HG2 ILE 20 -8.833 3.594 3.594 161 2HG2 ILE 20 2HG2 ILE 20 -8.133 2.153 2.153 162 3HG2 ILE 20 1HG2 ILE 20 -8.647 3.503 3.503 163 1HD1 ILE 20 3HD1 ILE 20 -7.434 4.143 4.143 164 2HD1 ILE 20 2HD1 ILE 20 -6.171 3.186 3.186 165 3HD1 ILE 20 1HD1 ILE 20 -7.490 2.389 2.389 166 H LYS 21 H LYS 21 -7.960 6.168 6.168 167 HA LYS 21 HA LYS 21 -10.643 6.324 6.324 168 1HB LYS 21 2HB LYS 21 -9.846 5.858 5.858 169 2HB LYS 21 1HB LYS 21 -10.168 7.581 7.581 170 1HG LYS 21 2HG LYS 21 -12.380 6.693 6.693 171 2HG LYS 21 1HG LYS 21 -12.020 5.264 5.264 172 1HD LYS 21 2HD LYS 21 -13.507 6.432 6.432 173 2HD LYS 21 1HD LYS 21 -11.947 6.869 6.869 174 1HE LYS 21 2HE LYS 21 -12.135 8.934 8.934 175 2HE LYS 21 1HE LYS 21 -13.842 8.539 8.539 176 1HZ LYS 21 2HZ LYS 21 -12.966 8.540 8.540 177 2HZ LYS 21 1HZ LYS 21 -12.428 9.974 9.974 178 3HZ LYS 21 3HZ LYS 21 -14.082 9.586 9.586 179 H ARG 22 H ARG 22 -7.953 8.245 8.245 180 HA ARG 22 HA ARG 22 -9.427 10.827 10.827 181 1HB ARG 22 2HB ARG 22 -7.179 10.682 10.682 182 2HB ARG 22 1HB ARG 22 -6.393 10.144 10.144 183 1HG ARG 22 2HG ARG 22 -6.880 12.296 12.296 184 2HG ARG 22 1HG ARG 22 -7.901 12.849 12.849 185 1HD ARG 22 2HD ARG 22 -4.923 12.245 12.245 186 2HD ARG 22 1HD ARG 22 -5.471 13.837 13.837 187 HE ARG 22 HE ARG 22 -6.377 12.526 12.526 188 1HH1 ARG 22 1HH2 ARG 22 -7.901 14.728 14.728 189 2HH1 ARG 22 2HH2 ARG 22 -7.056 16.068 16.068 190 1HH2 ARG 22 2HH1 ARG 22 -3.989 14.267 14.267 191 2HH2 ARG 22 1HH1 ARG 22 -4.602 15.787 15.787 192 H LYS 23 H LYS 23 -7.021 8.949 8.949 193 HA LYS 23 HA LYS 23 -7.203 9.902 9.902 194 1HB LYS 23 2HB LYS 23 -5.691 8.063 8.063 195 2HB LYS 23 1HB LYS 23 -7.050 6.958 6.958 196 1HG LYS 23 2HG LYS 23 -7.036 7.957 7.957 197 2HG LYS 23 1HG LYS 23 -5.349 8.114 8.114 198 1HD LYS 23 2HD LYS 23 -5.136 5.912 5.912 199 2HD LYS 23 1HD LYS 23 -5.825 5.572 5.572 200 1HE LYS 23 2HE LYS 23 -7.341 4.365 4.365 201 2HE LYS 23 1HE LYS 23 -8.160 5.908 5.908 202 1HZ LYS 23 3HZ LYS 23 -6.264 5.890 5.890 203 2HZ LYS 23 2HZ LYS 23 -7.146 4.450 4.450 204 3HZ LYS 23 1HZ LYS 23 -7.952 5.942 5.942 205 H ARG 24 H ARG 24 -9.156 7.049 7.049 206 HA ARG 24 HA ARG 24 -10.709 6.866 6.866 207 1HB ARG 24 2HB ARG 24 -10.812 5.722 5.722 208 2HB ARG 24 1HB ARG 24 -12.412 6.355 6.355 209 1HG ARG 24 2HG ARG 24 -12.085 5.147 5.147 210 2HG ARG 24 1HG ARG 24 -10.889 4.216 4.216 211 1HD ARG 24 2HD ARG 24 -12.885 2.937 2.937 212 2HD ARG 24 1HD ARG 24 -12.795 3.820 3.820 213 HE ARG 24 HE ARG 24 -14.358 5.530 5.530 214 1HH1 ARG 24 2HH1 ARG 24 -14.199 4.022 4.022 215 2HH1 ARG 24 1HH1 ARG 24 -15.688 3.153 3.153 216 1HH2 ARG 24 1HH2 ARG 24 -16.189 3.782 3.782 217 2HH2 ARG 24 2HH2 ARG 24 -16.943 3.011 3.011 218 H GLN 25 H GLN 25 -11.028 9.496 9.496 219 HA GLN 25 HA GLN 25 -13.738 10.112 10.112 220 1HB GLN 25 2HB GLN 25 -12.194 11.273 11.273 221 2HB GLN 25 1HB GLN 25 -13.797 11.798 11.798 222 1HG GLN 25 2HG GLN 25 -14.690 9.462 9.462 223 2HG GLN 25 1HG GLN 25 -13.092 8.911 8.911 224 1HE2 GLN 25 2HE2 GLN 25 -13.230 10.830 10.830 225 2HE2 GLN 25 1HE2 GLN 25 -12.165 10.480 10.480 226 H GLN 26 H GLN 26 -10.926 10.446 10.446 227 HA GLN 26 HA GLN 26 -11.191 13.262 13.262 228 1HB GLN 26 2HB GLN 26 -9.116 12.396 12.396 229 2HB GLN 26 1HB GLN 26 -8.627 11.637 11.637 230 1HG GLN 26 2HG GLN 26 -8.522 13.821 13.821 231 2HG GLN 26 1HG GLN 26 -9.242 14.623 14.623 232 1HE2 GLN 26 2HE2 GLN 26 -5.311 13.679 13.679 233 2HE2 GLN 26 1HE2 GLN 26 -6.278 13.155 13.155 234 1HN NH2 27 1HT GLN 26 -11.432 13.452 13.452 235 2HN NH2 27 2HT GLN 26 -11.279 12.131 12.131 Start of MODEL 11 1 1H GLY 1 1H GLY 1 6.273 1.992 1.992 2 2H GLY 1 3H GLY 1 6.743 2.115 2.115 3 3H GLY 1 2H GLY 1 7.495 0.980 0.980 4 1HA GLY 1 2HA GLY 1 5.931 -0.546 -0.546 5 2HA GLY 1 1HA GLY 1 5.146 0.643 0.643 6 H ILE 2 H ILE 2 3.416 -0.963 -0.963 7 HA ILE 2 HA ILE 2 2.530 0.759 0.759 8 HB ILE 2 HB ILE 2 1.293 -1.473 -1.473 9 1HG1 ILE 2 2HG1 ILE 2 2.420 -3.531 -3.531 10 2HG1 ILE 2 1HG1 ILE 2 3.555 -2.663 -2.663 11 1HG2 ILE 2 2HG2 ILE 2 4.290 -0.995 -0.995 12 2HG2 ILE 2 1HG2 ILE 2 3.470 -2.263 -2.263 13 3HG2 ILE 2 3HG2 ILE 2 3.048 -0.590 -0.590 14 1HD1 ILE 2 2HD1 ILE 2 0.594 -2.355 -2.355 15 2HD1 ILE 2 1HD1 ILE 2 1.399 -3.839 -3.839 16 3HD1 ILE 2 3HD1 ILE 2 1.945 -2.329 -2.329 17 H GLY 3 H GLY 3 1.818 -0.028 -0.028 18 1HA GLY 3 2HA GLY 3 -0.495 -0.534 -0.534 19 2HA GLY 3 1HA GLY 3 0.080 1.075 1.075 20 H ALA 4 H ALA 4 -0.470 2.610 2.610 21 HA ALA 4 HA ALA 4 -3.436 2.474 2.474 22 1HB ALA 4 1HB ALA 4 -1.468 4.748 4.748 23 2HB ALA 4 3HB ALA 4 -3.214 4.857 4.857 24 3HB ALA 4 2HB ALA 4 -2.459 4.608 4.608 25 H VAL 5 H VAL 5 -0.570 2.839 2.839 26 HA VAL 5 HA VAL 5 -1.378 3.175 3.175 27 HB VAL 5 HB VAL 5 0.546 0.889 0.889 28 1HG1 VAL 5 3HG1 VAL 5 0.149 1.344 1.344 29 2HG1 VAL 5 2HG1 VAL 5 0.629 3.015 3.015 30 3HG1 VAL 5 1HG1 VAL 5 1.798 1.726 1.726 31 1HG2 VAL 5 3HG2 VAL 5 0.980 3.892 3.892 32 2HG2 VAL 5 2HG2 VAL 5 1.318 2.620 2.620 33 3HG2 VAL 5 1HG2 VAL 5 2.331 2.803 2.803 34 H LEU 6 H LEU 6 -1.313 0.012 0.012 35 HA LEU 6 HA LEU 6 -2.497 -1.545 -1.545 36 1HB LEU 6 2HB LEU 6 -3.075 -1.841 -1.841 37 2HB LEU 6 1HB LEU 6 -3.283 -3.073 -3.073 38 HG LEU 6 HG LEU 6 -0.671 -1.870 -1.870 39 1HD1 LEU 6 3HD1 LEU 6 -1.902 -4.660 -4.660 40 2HD1 LEU 6 2HD1 LEU 6 -0.230 -4.359 -4.359 41 3HD1 LEU 6 1HD1 LEU 6 -1.509 -3.659 -3.659 42 1HD2 LEU 6 3HD2 LEU 6 -1.163 -3.684 -3.684 43 2HD2 LEU 6 2HD2 LEU 6 -0.347 -2.127 -2.127 44 3HD2 LEU 6 1HD2 LEU 6 0.405 -3.515 -3.515 45 H LYS 7 H LYS 7 -4.192 0.457 0.457 46 HA LYS 7 HA LYS 7 -6.794 -0.515 -0.515 47 1HB LYS 7 2HB LYS 7 -5.750 1.816 1.816 48 2HB LYS 7 1HB LYS 7 -7.391 1.950 1.950 49 1HG LYS 7 2HG LYS 7 -6.343 -0.467 -0.467 50 2HG LYS 7 1HG LYS 7 -7.143 0.895 0.895 51 1HD LYS 7 2HD LYS 7 -9.137 -0.104 -0.104 52 2HD LYS 7 1HD LYS 7 -8.917 0.213 0.213 53 1HE LYS 7 2HE LYS 7 -7.397 -2.131 -2.131 54 2HE LYS 7 1HE LYS 7 -8.691 -2.355 -2.355 55 1HZ LYS 7 1HZ LYS 7 -9.821 -1.413 -1.413 56 2HZ LYS 7 3HZ LYS 7 -8.746 -2.587 -2.587 57 3HZ LYS 7 2HZ LYS 7 -10.001 -2.971 -2.971 58 H VAL 8 H VAL 8 -4.808 2.122 2.122 59 HA VAL 8 HA VAL 8 -6.871 3.366 3.366 60 HB VAL 8 HB VAL 8 -3.980 3.270 3.270 61 1HG1 VAL 8 3HG1 VAL 8 -5.884 4.736 4.736 62 2HG1 VAL 8 2HG1 VAL 8 -5.889 5.609 5.609 63 3HG1 VAL 8 1HG1 VAL 8 -4.459 5.636 5.636 64 1HG2 VAL 8 2HG2 VAL 8 -4.923 4.584 4.584 65 2HG2 VAL 8 1HG2 VAL 8 -3.570 3.488 3.488 66 3HG2 VAL 8 3HG2 VAL 8 -3.477 5.103 5.103 67 H LEU 9 H LEU 9 -4.856 0.582 0.582 68 HA LEU 9 HA LEU 9 -5.568 0.129 0.129 69 1HB LEU 9 2HB LEU 9 -4.786 -2.176 -2.176 70 2HB LEU 9 1HB LEU 9 -4.250 -1.794 -1.794 71 HG LEU 9 HG LEU 9 -3.347 -0.351 -0.351 72 1HD1 LEU 9 3HD1 LEU 9 -2.567 -2.701 -2.701 73 2HD1 LEU 9 2HD1 LEU 9 -1.789 -2.262 -2.262 74 3HD1 LEU 9 1HD1 LEU 9 -1.269 -1.517 -1.517 75 1HD2 LEU 9 2HD2 LEU 9 -2.400 -0.053 -0.053 76 2HD2 LEU 9 1HD2 LEU 9 -3.322 1.120 1.120 77 3HD2 LEU 9 3HD2 LEU 9 -1.682 0.732 0.732 78 H THR 10 H THR 10 -7.391 0.039 0.039 79 HA THR 10 HA THR 10 -9.047 -2.268 -2.268 80 HB THR 10 HB THR 10 -9.747 -0.571 -0.571 81 HG1 THR 10 HG1 THR 10 -7.438 -1.741 -1.741 82 1HG2 THR 10 1HG2 THR 10 -10.938 -2.802 -2.802 83 2HG2 THR 10 3HG2 THR 10 -9.778 -3.611 -3.611 84 3HG2 THR 10 2HG2 THR 10 -10.978 -2.513 -2.513 85 H THR 11 H THR 11 -8.711 1.068 1.068 86 HA THR 11 HA THR 11 -11.616 1.406 1.406 87 HB THR 11 HB THR 11 -9.541 3.672 3.672 88 HG1 THR 11 HG1 THR 11 -11.138 3.083 3.083 89 1HG2 THR 11 3HG2 THR 11 -12.556 3.480 3.480 90 2HG2 THR 11 2HG2 THR 11 -11.568 4.934 4.934 91 3HG2 THR 11 1HG2 THR 11 -11.893 4.212 4.212 92 H GLY 12 H GLY 12 -8.267 1.962 1.962 93 1HA GLY 12 2HA GLY 12 -9.449 1.494 1.494 94 2HA GLY 12 1HA GLY 12 -8.514 2.979 2.979 95 H LEU 13 H LEU 13 -6.753 2.614 2.614 96 HA LEU 13 HA LEU 13 -4.859 0.561 0.561 97 1HB LEU 13 2HB LEU 13 -6.045 0.647 0.647 98 2HB LEU 13 1HB LEU 13 -4.337 0.308 0.308 99 HG LEU 13 HG LEU 13 -5.715 -1.365 -1.365 100 1HD1 LEU 13 3HD1 LEU 13 -7.021 -1.155 -1.155 101 2HD1 LEU 13 2HD1 LEU 13 -6.890 -2.728 -2.728 102 3HD1 LEU 13 1HD1 LEU 13 -7.730 -1.436 -1.436 103 1HD2 LEU 13 1HD2 LEU 13 -3.478 -1.772 -1.772 104 2HD2 LEU 13 3HD2 LEU 13 -4.569 -3.141 -3.141 105 3HD2 LEU 13 2HD2 LEU 13 -4.366 -2.158 -2.158 106 HA PRO 14 HA DPR 14 -1.875 3.587 3.587 107 1HB PRO 14 2HB DPR 14 -1.961 4.953 4.953 108 2HB PRO 14 1HB DPR 14 -3.567 5.575 5.575 109 1HG PRO 14 2HG DPR 14 -2.815 2.886 2.886 110 2HG PRO 14 1HG DPR 14 -4.082 3.984 3.984 111 1HD PRO 14 2HD DPR 14 -4.731 1.893 1.893 112 2HD PRO 14 1HD DPR 14 -5.506 3.455 3.455 113 H ALA 15 H ALA 15 -2.031 3.947 3.947 114 HA ALA 15 HA ALA 15 -2.761 6.775 6.775 115 1HB ALA 15 2HB ALA 15 -0.965 4.851 4.851 116 2HB ALA 15 1HB ALA 15 -1.270 6.525 6.525 117 3HB ALA 15 3HB ALA 15 -0.440 6.159 6.159 118 H LEU 16 H LEU 16 -3.783 3.573 3.573 119 HA LEU 16 HA LEU 16 -4.750 3.744 3.744 120 1HB LEU 16 2HB LEU 16 -5.672 2.391 2.391 121 2HB LEU 16 1HB LEU 16 -6.763 2.347 2.347 122 HG LEU 16 HG LEU 16 -5.056 0.413 0.413 123 1HD1 LEU 16 3HD1 LEU 16 -6.405 0.837 0.837 124 2HD1 LEU 16 2HD1 LEU 16 -5.165 1.933 1.933 125 3HD1 LEU 16 1HD1 LEU 16 -4.817 0.226 0.226 126 1HD2 LEU 16 1HD2 LEU 16 -3.028 1.782 1.782 127 2HD2 LEU 16 3HD2 LEU 16 -2.829 0.711 0.711 128 3HD2 LEU 16 2HD2 LEU 16 -3.096 2.415 2.415 129 H ILE 17 H ILE 17 -6.440 4.985 4.985 130 HA ILE 17 HA ILE 17 -8.757 5.808 5.808 131 HB ILE 17 HB ILE 17 -8.527 7.652 7.652 132 1HG1 ILE 17 2HG1 ILE 17 -7.514 6.603 6.603 133 2HG1 ILE 17 1HG1 ILE 17 -6.953 5.246 5.246 134 1HG2 ILE 17 2HG2 ILE 17 -9.385 4.757 4.757 135 2HG2 ILE 17 1HG2 ILE 17 -9.712 5.926 5.926 136 3HG2 ILE 17 3HG2 ILE 17 -10.395 6.168 6.168 137 1HD1 ILE 17 2HD1 ILE 17 -6.148 8.002 8.002 138 2HD1 ILE 17 1HD1 ILE 17 -5.440 7.398 7.398 139 3HD1 ILE 17 3HD1 ILE 17 -5.237 6.496 6.496 140 H SER 18 H SER 18 -5.625 7.118 7.118 141 HA SER 18 HA SER 18 -6.416 9.639 9.639 142 1HB SER 18 2HB SER 18 -3.830 8.735 8.735 143 2HB SER 18 1HB SER 18 -4.031 10.300 10.300 144 HG SER 18 HG SER 18 -6.196 9.904 9.904 145 H TRP 19 H TRP 19 -5.776 6.668 6.668 146 HA TRP 19 HA TRP 19 -4.013 7.424 7.424 147 1HB TRP 19 2HB TRP 19 -3.841 5.246 5.246 148 2HB TRP 19 1HB TRP 19 -4.888 4.549 4.549 149 HD1 TRP 19 HD1 TRP 19 -1.537 4.267 4.267 150 HE1 TRP 19 HE1 TRP 19 0.065 3.978 3.978 151 HE3 TRP 19 HE3 TRP 19 -4.475 5.994 5.994 152 HZ2 TRP 19 HZ2 TRP 19 0.139 4.388 4.388 153 HZ3 TRP 19 HZ3 TRP 19 -3.494 6.020 6.020 154 HH2 TRP 19 HH2 TRP 19 -1.198 5.213 5.213 155 H ILE 20 H ILE 20 -6.891 5.233 5.233 156 HA ILE 20 HA ILE 20 -7.549 6.040 6.040 157 HB ILE 20 HB ILE 20 -8.062 3.745 3.745 158 1HG1 ILE 20 2HG1 ILE 20 -8.496 2.637 2.637 159 2HG1 ILE 20 1HG1 ILE 20 -8.206 4.196 4.196 160 1HG2 ILE 20 2HG2 ILE 20 -10.380 4.885 4.885 161 2HG2 ILE 20 1HG2 ILE 20 -10.325 3.231 3.231 162 3HG2 ILE 20 3HG2 ILE 20 -10.288 4.586 4.586 163 1HD1 ILE 20 1HD1 ILE 20 -5.908 4.213 4.213 164 2HD1 ILE 20 3HD1 ILE 20 -6.264 2.637 2.637 165 3HD1 ILE 20 2HD1 ILE 20 -6.119 2.832 2.832 166 H LYS 21 H LYS 21 -8.859 6.545 6.545 167 HA LYS 21 HA LYS 21 -11.285 7.724 7.724 168 1HB LYS 21 2HB LYS 21 -10.126 8.582 8.582 169 2HB LYS 21 1HB LYS 21 -11.793 8.350 8.350 170 1HG LYS 21 2HG LYS 21 -10.936 5.776 5.776 171 2HG LYS 21 1HG LYS 21 -9.724 6.284 6.284 172 1HD LYS 21 2HD LYS 21 -11.350 5.519 5.519 173 2HD LYS 21 1HD LYS 21 -11.831 7.206 7.206 174 1HE LYS 21 2HE LYS 21 -13.298 6.428 6.428 175 2HE LYS 21 1HE LYS 21 -13.007 4.794 4.794 176 1HZ LYS 21 1HZ LYS 21 -13.830 6.425 6.425 177 2HZ LYS 21 3HZ LYS 21 -14.923 6.603 6.603 178 3HZ LYS 21 2HZ LYS 21 -14.607 5.068 5.068 179 H ARG 22 H ARG 22 -8.079 8.619 8.619 180 HA ARG 22 HA ARG 22 -8.540 11.518 11.518 181 1HB ARG 22 2HB ARG 22 -6.700 10.350 10.350 182 2HB ARG 22 1HB ARG 22 -5.863 10.015 10.015 183 1HG ARG 22 2HG ARG 22 -5.251 12.212 12.212 184 2HG ARG 22 1HG ARG 22 -6.762 12.865 12.865 185 1HD ARG 22 2HD ARG 22 -5.897 11.998 11.998 186 2HD ARG 22 1HD ARG 22 -4.317 12.004 12.004 187 HE ARG 22 HE ARG 22 -6.104 14.422 14.422 188 1HH1 ARG 22 1HH2 ARG 22 -3.802 14.771 14.771 189 2HH1 ARG 22 2HH2 ARG 22 -2.572 15.399 15.399 190 1HH2 ARG 22 2HH1 ARG 22 -4.351 14.220 14.220 191 2HH2 ARG 22 1HH1 ARG 22 -2.910 15.053 15.053 192 H LYS 23 H LYS 23 -6.527 9.151 9.151 193 HA LYS 23 HA LYS 23 -6.272 10.439 10.439 194 1HB LYS 23 2HB LYS 23 -5.076 8.332 8.332 195 2HB LYS 23 1HB LYS 23 -6.569 7.440 7.440 196 1HG LYS 23 2HG LYS 23 -5.856 8.986 8.986 197 2HG LYS 23 1HG LYS 23 -4.641 7.806 7.806 198 1HD LYS 23 2HD LYS 23 -7.624 7.145 7.145 199 2HD LYS 23 1HD LYS 23 -6.569 7.059 7.059 200 1HE LYS 23 2HE LYS 23 -5.082 5.415 5.415 201 2HE LYS 23 1HE LYS 23 -6.266 5.425 5.425 202 1HZ LYS 23 2HZ LYS 23 -7.637 4.979 4.979 203 2HZ LYS 23 1HZ LYS 23 -6.317 3.935 3.935 204 3HZ LYS 23 3HZ LYS 23 -7.431 3.889 3.889 205 H ARG 24 H ARG 24 -8.927 8.397 8.397 206 HA ARG 24 HA ARG 24 -10.405 9.065 9.065 207 1HB ARG 24 2HB ARG 24 -10.200 6.691 6.691 208 2HB ARG 24 1HB ARG 24 -11.836 7.252 7.252 209 1HG ARG 24 2HG ARG 24 -11.391 7.469 7.469 210 2HG ARG 24 1HG ARG 24 -10.397 6.098 6.098 211 1HD ARG 24 2HD ARG 24 -12.644 5.302 5.302 212 2HD ARG 24 1HD ARG 24 -12.386 5.084 5.084 213 HE ARG 24 HE ARG 24 -13.905 7.418 7.418 214 1HH1 ARG 24 1HH2 ARG 24 -13.888 8.356 8.356 215 2HH1 ARG 24 2HH2 ARG 24 -14.916 7.442 7.442 216 1HH2 ARG 24 2HH1 ARG 24 -14.910 4.736 4.736 217 2HH2 ARG 24 1HH1 ARG 24 -15.549 5.209 5.209 218 H GLN 25 H GLN 25 -9.971 11.134 11.134 219 HA GLN 25 HA GLN 25 -12.623 11.507 11.507 220 1HB GLN 25 2HB GLN 25 -11.602 13.118 13.118 221 2HB GLN 25 1HB GLN 25 -10.282 12.016 12.016 222 1HG GLN 25 2HG GLN 25 -9.418 13.532 13.532 223 2HG GLN 25 1HG GLN 25 -10.675 14.675 14.675 224 1HE2 GLN 25 2HE2 GLN 25 -7.998 16.000 16.000 225 2HE2 GLN 25 1HE2 GLN 25 -8.711 16.100 16.100 226 H GLN 26 H GLN 26 -10.720 12.646 12.646 227 HA GLN 26 HA GLN 26 -12.680 14.831 14.831 228 1HB GLN 26 2HB GLN 26 -10.011 15.100 15.100 229 2HB GLN 26 1HB GLN 26 -10.060 14.511 14.511 230 1HG GLN 26 2HG GLN 26 -12.090 16.578 16.578 231 2HG GLN 26 1HG GLN 26 -10.622 17.193 17.193 232 1HE2 GLN 26 2HE2 GLN 26 -10.524 16.151 16.151 233 2HE2 GLN 26 1HE2 GLN 26 -11.662 15.405 15.405 234 1HN NH2 27 1HT GLN 26 -12.488 11.720 11.720 235 2HN NH2 27 2HT GLN 26 -13.037 11.841 11.841 Start of MODEL 12 1 1H GLY 1 2H GLY 1 4.729 -1.341 -1.341 2 2H GLY 1 1H GLY 1 5.262 -0.780 -0.780 3 3H GLY 1 3H GLY 1 5.972 -2.166 -2.166 4 1HA GLY 1 2HA GLY 1 4.414 -3.474 -3.474 5 2HA GLY 1 1HA GLY 1 3.693 -2.023 -2.023 6 H ILE 2 H ILE 2 1.790 -3.739 -3.739 7 HA ILE 2 HA ILE 2 0.927 -2.845 -2.845 8 HB ILE 2 HB ILE 2 -0.688 -4.954 -4.954 9 1HG1 ILE 2 2HG1 ILE 2 1.752 -5.926 -5.926 10 2HG1 ILE 2 1HG1 ILE 2 0.336 -5.320 -5.320 11 1HG2 ILE 2 3HG2 ILE 2 2.267 -5.100 -5.100 12 2HG2 ILE 2 2HG2 ILE 2 1.091 -6.341 -6.341 13 3HG2 ILE 2 1HG2 ILE 2 0.929 -4.741 -4.741 14 1HD1 ILE 2 3HD1 ILE 2 -0.110 -7.421 -7.421 15 2HD1 ILE 2 2HD1 ILE 2 0.538 -7.908 -7.908 16 3HD1 ILE 2 1HD1 ILE 2 -1.012 -7.089 -7.089 17 H GLY 3 H GLY 3 -0.244 -3.445 -3.445 18 1HA GLY 3 2HA GLY 3 -2.750 -3.090 -3.090 19 2HA GLY 3 1HA GLY 3 -1.697 -1.967 -1.967 20 H ALA 4 H ALA 4 -1.121 -0.043 -0.043 21 HA ALA 4 HA ALA 4 -3.750 1.158 1.158 22 1HB ALA 4 1HB ALA 4 -0.953 2.368 2.368 23 2HB ALA 4 3HB ALA 4 -2.396 3.265 3.265 24 3HB ALA 4 2HB ALA 4 -2.261 2.555 2.555 25 H VAL 5 H VAL 5 -0.960 -0.071 -0.071 26 HA VAL 5 HA VAL 5 -1.238 1.293 1.293 27 HB VAL 5 HB VAL 5 -0.371 -1.630 -1.630 28 1HG1 VAL 5 3HG1 VAL 5 -0.786 -0.602 -0.602 29 2HG1 VAL 5 2HG1 VAL 5 0.698 0.280 0.280 30 3HG1 VAL 5 1HG1 VAL 5 0.702 -1.473 -1.473 31 1HG2 VAL 5 2HG2 VAL 5 1.218 0.960 0.960 32 2HG2 VAL 5 1HG2 VAL 5 1.021 -0.315 -0.315 33 3HG2 VAL 5 3HG2 VAL 5 1.991 -0.598 -0.598 34 H LEU 6 H LEU 6 -2.534 -1.694 -1.694 35 HA LEU 6 HA LEU 6 -4.093 -2.736 -2.736 36 1HB LEU 6 2HB LEU 6 -4.967 -2.311 -2.311 37 2HB LEU 6 1HB LEU 6 -5.743 -3.424 -3.424 38 HG LEU 6 HG LEU 6 -2.737 -3.634 -3.634 39 1HD1 LEU 6 3HD1 LEU 6 -3.981 -3.675 -3.675 40 2HD1 LEU 6 2HD1 LEU 6 -4.900 -5.043 -5.043 41 3HD1 LEU 6 1HD1 LEU 6 -3.165 -5.175 -5.175 42 1HD2 LEU 6 1HD2 LEU 6 -3.883 -4.918 -4.918 43 2HD2 LEU 6 3HD2 LEU 6 -3.055 -5.918 -5.918 44 3HD2 LEU 6 2HD2 LEU 6 -4.800 -5.768 -5.768 45 H LYS 7 H LYS 7 -5.297 -0.331 -0.331 46 HA LYS 7 HA LYS 7 -7.769 0.309 0.309 47 1HB LYS 7 2HB LYS 7 -5.683 1.836 1.836 48 2HB LYS 7 1HB LYS 7 -6.841 2.839 2.839 49 1HG LYS 7 2HG LYS 7 -8.722 1.884 1.884 50 2HG LYS 7 1HG LYS 7 -7.796 0.509 0.509 51 1HD LYS 7 2HD LYS 7 -8.114 1.930 1.930 52 2HD LYS 7 1HD LYS 7 -6.417 2.026 2.026 53 1HE LYS 7 2HE LYS 7 -6.738 4.209 4.209 54 2HE LYS 7 1HE LYS 7 -8.486 4.076 4.076 55 1HZ LYS 7 1HZ LYS 7 -7.423 3.794 3.794 56 2HZ LYS 7 3HZ LYS 7 -6.716 5.153 5.153 57 3HZ LYS 7 2HZ LYS 7 -8.401 5.034 5.034 58 H VAL 8 H VAL 8 -4.733 1.770 1.770 59 HA VAL 8 HA VAL 8 -5.505 3.506 3.506 60 HB VAL 8 HB VAL 8 -3.065 1.650 1.650 61 1HG1 VAL 8 2HG1 VAL 8 -3.443 3.133 3.133 62 2HG1 VAL 8 1HG1 VAL 8 -3.469 4.520 4.520 63 3HG1 VAL 8 3HG1 VAL 8 -1.992 3.582 3.582 64 1HG2 VAL 8 3HG2 VAL 8 -3.505 4.097 4.097 65 2HG2 VAL 8 2HG2 VAL 8 -3.007 2.502 2.502 66 3HG2 VAL 8 1HG2 VAL 8 -1.906 3.497 3.497 67 H LEU 9 H LEU 9 -4.602 0.191 0.191 68 HA LEU 9 HA LEU 9 -5.389 -0.184 -0.184 69 1HB LEU 9 2HB LEU 9 -5.437 -2.517 -2.517 70 2HB LEU 9 1HB LEU 9 -4.829 -2.452 -2.452 71 HG LEU 9 HG LEU 9 -3.424 -1.121 -1.121 72 1HD1 LEU 9 1HD1 LEU 9 -3.654 -3.662 -3.662 73 2HD1 LEU 9 3HD1 LEU 9 -2.653 -3.734 -3.734 74 3HD1 LEU 9 2HD1 LEU 9 -2.027 -3.016 -3.016 75 1HD2 LEU 9 3HD2 LEU 9 -2.696 -1.590 -1.590 76 2HD2 LEU 9 2HD2 LEU 9 -2.602 -0.102 -0.102 77 3HD2 LEU 9 1HD2 LEU 9 -1.452 -1.389 -1.389 78 H THR 10 H THR 10 -7.270 -0.137 -0.137 79 HA THR 10 HA THR 10 -9.477 -1.625 -1.625 80 HB THR 10 HB THR 10 -10.433 -0.629 -0.629 81 HG1 THR 10 HG1 THR 10 -7.701 -1.472 -1.472 82 1HG2 THR 10 1HG2 THR 10 -9.228 -3.344 -3.344 83 2HG2 THR 10 3HG2 THR 10 -10.135 -3.041 -3.041 84 3HG2 THR 10 2HG2 THR 10 -10.928 -2.908 -2.908 85 H THR 11 H THR 11 -8.234 1.377 1.377 86 HA THR 11 HA THR 11 -10.919 2.697 2.697 87 HB THR 11 HB THR 11 -8.306 4.303 4.303 88 HG1 THR 11 HG1 THR 11 -8.684 2.660 2.660 89 1HG2 THR 11 3HG2 THR 11 -11.052 4.779 4.779 90 2HG2 THR 11 2HG2 THR 11 -9.749 5.946 5.946 91 3HG2 THR 11 1HG2 THR 11 -10.570 5.436 5.436 92 H GLY 12 H GLY 12 -7.588 2.844 2.844 93 1HA GLY 12 2HA GLY 12 -8.778 2.412 2.412 94 2HA GLY 12 1HA GLY 12 -7.928 3.945 3.945 95 H LEU 13 H LEU 13 -6.060 3.762 3.762 96 HA LEU 13 HA LEU 13 -4.068 1.817 1.817 97 1HB LEU 13 2HB LEU 13 -5.407 1.620 1.620 98 2HB LEU 13 1HB LEU 13 -3.658 1.645 1.645 99 HG LEU 13 HG LEU 13 -5.196 -0.269 -0.269 100 1HD1 LEU 13 3HD1 LEU 13 -5.579 -0.543 -0.543 101 2HD1 LEU 13 2HD1 LEU 13 -3.851 -0.818 -0.818 102 3HD1 LEU 13 1HD1 LEU 13 -4.827 -1.921 -1.921 103 1HD2 LEU 13 1HD2 LEU 13 -2.270 0.250 0.250 104 2HD2 LEU 13 3HD2 LEU 13 -3.035 -0.245 -0.245 105 3HD2 LEU 13 2HD2 LEU 13 -2.780 -1.409 -1.409 106 HA PRO 14 HA DPR 14 -1.544 5.377 5.377 107 1HB PRO 14 2HB DPR 14 -1.937 6.887 6.887 108 2HB PRO 14 1HB DPR 14 -3.609 7.185 7.185 109 1HG PRO 14 2HG DPR 14 -2.479 4.815 4.815 110 2HG PRO 14 1HG DPR 14 -3.945 5.725 5.725 111 1HD PRO 14 2HD DPR 14 -4.150 3.380 3.380 112 2HD PRO 14 1HD DPR 14 -5.150 4.753 4.753 113 H ALA 15 H ALA 15 -1.492 5.683 5.683 114 HA ALA 15 HA ALA 15 -2.988 8.088 8.088 115 1HB ALA 15 3HB ALA 15 -0.432 7.957 7.957 116 2HB ALA 15 2HB ALA 15 -0.673 6.809 6.809 117 3HB ALA 15 1HB ALA 15 -1.286 8.445 8.445 118 H LEU 16 H LEU 16 -3.100 4.658 4.658 119 HA LEU 16 HA LEU 16 -3.670 4.444 4.444 120 1HB LEU 16 2HB LEU 16 -4.593 3.072 3.072 121 2HB LEU 16 1HB LEU 16 -5.535 2.742 2.742 122 HG LEU 16 HG LEU 16 -3.517 1.220 1.220 123 1HD1 LEU 16 1HD1 LEU 16 -4.016 2.531 2.531 124 2HD1 LEU 16 3HD1 LEU 16 -2.946 1.155 1.155 125 3HD1 LEU 16 2HD1 LEU 16 -4.635 0.996 0.996 126 1HD2 LEU 16 3HD2 LEU 16 -1.857 3.085 3.085 127 2HD2 LEU 16 2HD2 LEU 16 -1.320 1.839 1.839 128 3HD2 LEU 16 1HD2 LEU 16 -1.840 3.381 3.381 129 H ILE 17 H ILE 17 -5.881 5.443 5.443 130 HA ILE 17 HA ILE 17 -8.214 5.706 5.706 131 HB ILE 17 HB ILE 17 -8.578 7.585 7.585 132 1HG1 ILE 17 2HG1 ILE 17 -7.325 7.055 7.055 133 2HG1 ILE 17 1HG1 ILE 17 -6.201 6.063 6.063 134 1HG2 ILE 17 3HG2 ILE 17 -8.382 4.592 4.592 135 2HG2 ILE 17 2HG2 ILE 17 -9.066 5.683 5.683 136 3HG2 ILE 17 1HG2 ILE 17 -9.820 5.547 5.547 137 1HD1 ILE 17 1HD1 ILE 17 -6.655 8.870 8.870 138 2HD1 ILE 17 3HD1 ILE 17 -5.774 8.643 8.643 139 3HD1 ILE 17 2HD1 ILE 17 -5.178 7.909 7.909 140 H SER 18 H SER 18 -5.459 7.797 7.797 141 HA SER 18 HA SER 18 -6.829 9.833 9.833 142 1HB SER 18 2HB SER 18 -4.621 9.945 9.945 143 2HB SER 18 1HB SER 18 -4.371 10.974 10.974 144 HG SER 18 HG SER 18 -6.224 11.220 11.220 145 H TRP 19 H TRP 19 -5.357 7.185 7.185 146 HA TRP 19 HA TRP 19 -3.601 8.082 8.082 147 1HB TRP 19 2HB TRP 19 -3.047 6.209 6.209 148 2HB TRP 19 1HB TRP 19 -3.868 5.128 5.128 149 HD1 TRP 19 HD1 TRP 19 -0.592 5.703 5.703 150 HE1 TRP 19 HE1 TRP 19 1.173 5.318 5.318 151 HE3 TRP 19 HE3 TRP 19 -3.575 5.953 5.953 152 HZ2 TRP 19 HZ2 TRP 19 1.295 5.165 5.165 153 HZ3 TRP 19 HZ3 TRP 19 -2.515 5.666 5.666 154 HH2 TRP 19 HH2 TRP 19 -0.085 5.273 5.273 155 H ILE 20 H ILE 20 -5.835 5.291 5.291 156 HA ILE 20 HA ILE 20 -6.597 5.753 5.753 157 HB ILE 20 HB ILE 20 -6.438 3.421 3.421 158 1HG1 ILE 20 2HG1 ILE 20 -6.951 2.318 2.318 159 2HG1 ILE 20 1HG1 ILE 20 -6.964 3.949 3.949 160 1HG2 ILE 20 1HG2 ILE 20 -9.126 3.860 3.860 161 2HG2 ILE 20 3HG2 ILE 20 -8.573 2.336 2.336 162 3HG2 ILE 20 2HG2 ILE 20 -8.839 3.729 3.729 163 1HD1 ILE 20 1HD1 ILE 20 -4.599 4.012 4.012 164 2HD1 ILE 20 3HD1 ILE 20 -4.686 2.308 2.308 165 3HD1 ILE 20 2HD1 ILE 20 -4.694 3.489 3.489 166 H LYS 21 H LYS 21 -8.088 5.821 5.821 167 HA LYS 21 HA LYS 21 -10.722 6.338 6.338 168 1HB LYS 21 2HB LYS 21 -9.512 6.183 6.183 169 2HB LYS 21 1HB LYS 21 -10.382 7.696 7.696 170 1HG LYS 21 2HG LYS 21 -12.157 6.388 6.388 171 2HG LYS 21 1HG LYS 21 -12.312 6.141 6.141 172 1HD LYS 21 2HD LYS 21 -12.363 3.935 3.935 173 2HD LYS 21 1HD LYS 21 -10.683 4.095 4.095 174 1HE LYS 21 2HE LYS 21 -9.990 3.734 3.734 175 2HE LYS 21 1HE LYS 21 -10.967 5.060 5.060 176 1HZ LYS 21 2HZ LYS 21 -12.664 2.847 2.847 177 2HZ LYS 21 1HZ LYS 21 -11.369 2.310 2.310 178 3HZ LYS 21 3HZ LYS 21 -12.333 3.572 3.572 179 H ARG 22 H ARG 22 -7.884 8.336 8.336 180 HA ARG 22 HA ARG 22 -9.437 10.828 10.828 181 1HB ARG 22 2HB ARG 22 -7.208 10.559 10.559 182 2HB ARG 22 1HB ARG 22 -6.429 10.402 10.402 183 1HG ARG 22 2HG ARG 22 -6.651 12.689 12.689 184 2HG ARG 22 1HG ARG 22 -8.287 12.758 12.758 185 1HD ARG 22 2HD ARG 22 -7.432 14.004 14.004 186 2HD ARG 22 1HD ARG 22 -6.951 12.471 12.471 187 HE ARG 22 HE ARG 22 -4.735 12.768 12.768 188 1HH1 ARG 22 1HH2 ARG 22 -5.798 15.108 15.108 189 2HH1 ARG 22 2HH2 ARG 22 -5.094 16.488 16.488 190 1HH2 ARG 22 2HH1 ARG 22 -4.265 14.421 14.421 191 2HH2 ARG 22 1HH1 ARG 22 -4.108 16.039 16.039 192 H LYS 23 H LYS 23 -8.295 8.420 8.420 193 HA LYS 23 HA LYS 23 -8.163 10.117 10.117 194 1HB LYS 23 2HB LYS 23 -6.534 8.226 8.226 195 2HB LYS 23 1HB LYS 23 -7.846 7.091 7.091 196 1HG LYS 23 2HG LYS 23 -7.316 8.910 8.910 197 2HG LYS 23 1HG LYS 23 -6.356 7.470 7.470 198 1HD LYS 23 2HD LYS 23 -9.407 7.558 7.558 199 2HD LYS 23 1HD LYS 23 -8.298 7.119 7.119 200 1HE LYS 23 2HE LYS 23 -7.908 5.494 5.494 201 2HE LYS 23 1HE LYS 23 -9.528 5.351 5.351 202 1HZ LYS 23 1HZ LYS 23 -7.662 5.169 5.169 203 2HZ LYS 23 3HZ LYS 23 -7.192 4.112 4.112 204 3HZ LYS 23 2HZ LYS 23 -8.744 3.986 3.986 205 H ARG 24 H ARG 24 -9.954 7.536 7.536 206 HA ARG 24 HA ARG 24 -11.986 7.053 7.053 207 1HB ARG 24 2HB ARG 24 -11.394 6.339 6.339 208 2HB ARG 24 1HB ARG 24 -13.012 6.972 6.972 209 1HG ARG 24 2HG ARG 24 -13.067 5.281 5.281 210 2HG ARG 24 1HG ARG 24 -11.952 4.455 4.455 211 1HD ARG 24 2HD ARG 24 -13.972 3.574 3.574 212 2HD ARG 24 1HD ARG 24 -13.852 4.932 4.932 213 HE ARG 24 HE ARG 24 -15.321 6.213 6.213 214 1HH1 ARG 24 1HH2 ARG 24 -15.637 4.752 4.752 215 2HH1 ARG 24 2HH2 ARG 24 -16.940 3.652 3.652 216 1HH2 ARG 24 2HH1 ARG 24 -16.688 4.052 4.052 217 2HH2 ARG 24 1HH1 ARG 24 -17.587 3.217 3.217 218 H GLN 25 H GLN 25 -11.593 9.799 9.799 219 HA GLN 25 HA GLN 25 -14.382 10.729 10.729 220 1HB GLN 25 2HB GLN 25 -13.793 12.542 12.542 221 2HB GLN 25 1HB GLN 25 -13.644 10.951 10.951 222 1HG GLN 25 2HG GLN 25 -11.353 11.022 11.022 223 2HG GLN 25 1HG GLN 25 -11.124 12.009 12.009 224 1HE2 GLN 25 2HE2 GLN 25 -12.069 14.993 14.993 225 2HE2 GLN 25 1HE2 GLN 25 -12.787 14.231 14.231 226 H GLN 26 H GLN 26 -11.711 10.820 10.820 227 HA GLN 26 HA GLN 26 -12.121 13.645 13.645 228 1HB GLN 26 2HB GLN 26 -9.813 13.104 13.104 229 2HB GLN 26 1HB GLN 26 -9.712 11.800 11.800 230 1HG GLN 26 2HG GLN 26 -10.119 13.651 13.651 231 2HG GLN 26 1HG GLN 26 -9.847 14.816 14.816 232 1HE2 GLN 26 2HE2 GLN 26 -6.576 12.496 12.496 233 2HE2 GLN 26 1HE2 GLN 26 -8.055 11.703 11.703 234 1HN NH2 27 1HT GLN 26 -11.869 10.246 10.246 235 2HN NH2 27 2HT GLN 26 -12.481 10.537 10.537 Start of MODEL 13 1 1H GLY 1 1H GLY 1 3.471 -0.318 -0.318 2 2H GLY 1 3H GLY 1 3.644 -0.423 -0.423 3 3H GLY 1 2H GLY 1 4.856 -1.053 -1.053 4 1HA GLY 1 2HA GLY 1 3.801 -3.020 -3.020 5 2HA GLY 1 1HA GLY 1 2.542 -2.363 -2.363 6 H ILE 2 H ILE 2 1.681 -4.042 -4.042 7 HA ILE 2 HA ILE 2 0.634 -2.105 -2.105 8 HB ILE 2 HB ILE 2 0.237 -4.224 -4.224 9 1HG1 ILE 2 2HG1 ILE 2 2.245 -5.425 -5.425 10 2HG1 ILE 2 1HG1 ILE 2 0.545 -5.862 -5.862 11 1HG2 ILE 2 3HG2 ILE 2 2.097 -2.570 -2.570 12 2HG2 ILE 2 2HG2 ILE 2 3.152 -3.515 -3.515 13 3HG2 ILE 2 1HG2 ILE 2 2.544 -4.198 -4.198 14 1HD1 ILE 2 2HD1 ILE 2 1.055 -6.459 -6.459 15 2HD1 ILE 2 1HD1 ILE 2 2.747 -6.405 -6.405 16 3HD1 ILE 2 3HD1 ILE 2 1.658 -7.548 -7.548 17 H GLY 3 H GLY 3 -0.721 -2.007 -2.007 18 1HA GLY 3 2HA GLY 3 -3.112 -3.797 -3.797 19 2HA GLY 3 1HA GLY 3 -2.749 -2.827 -2.827 20 H ALA 4 H ALA 4 -2.058 -0.525 -0.525 21 HA ALA 4 HA ALA 4 -4.831 0.454 0.454 22 1HB ALA 4 2HB ALA 4 -2.201 2.008 2.008 23 2HB ALA 4 1HB ALA 4 -3.786 2.724 2.724 24 3HB ALA 4 3HB ALA 4 -3.443 1.801 1.801 25 H VAL 5 H VAL 5 -1.569 0.409 0.409 26 HA VAL 5 HA VAL 5 -1.631 1.563 1.563 27 HB VAL 5 HB VAL 5 -0.460 -1.235 -1.235 28 1HG1 VAL 5 3HG1 VAL 5 0.373 1.040 1.040 29 2HG1 VAL 5 2HG1 VAL 5 1.387 -0.352 -0.352 30 3HG1 VAL 5 1HG1 VAL 5 -0.143 -0.573 -0.573 31 1HG2 VAL 5 3HG2 VAL 5 0.519 1.513 1.513 32 2HG2 VAL 5 2HG2 VAL 5 0.312 0.085 0.085 33 3HG2 VAL 5 1HG2 VAL 5 1.613 0.157 0.157 34 H LEU 6 H LEU 6 -2.608 -1.771 -1.771 35 HA LEU 6 HA LEU 6 -3.497 -2.434 -2.434 36 1HB LEU 6 2HB LEU 6 -4.789 -3.365 -3.365 37 2HB LEU 6 1HB LEU 6 -4.822 -4.191 -4.191 38 HG LEU 6 HG LEU 6 -2.321 -3.669 -3.669 39 1HD1 LEU 6 1HD1 LEU 6 -3.920 -5.496 -5.496 40 2HD1 LEU 6 3HD1 LEU 6 -3.568 -6.339 -6.339 41 3HD1 LEU 6 2HD1 LEU 6 -2.290 -6.012 -6.012 42 1HD2 LEU 6 1HD2 LEU 6 -2.611 -4.948 -4.948 43 2HD2 LEU 6 3HD2 LEU 6 -1.580 -3.596 -3.596 44 3HD2 LEU 6 2HD2 LEU 6 -1.220 -5.202 -5.202 45 H LYS 7 H LYS 7 -5.165 -0.629 -0.629 46 HA LYS 7 HA LYS 7 -7.687 -0.734 -0.734 47 1HB LYS 7 2HB LYS 7 -6.603 1.107 1.107 48 2HB LYS 7 1HB LYS 7 -8.247 1.240 1.240 49 1HG LYS 7 2HG LYS 7 -7.339 -1.568 -1.568 50 2HG LYS 7 1HG LYS 7 -7.329 -0.439 -0.439 51 1HD LYS 7 2HD LYS 7 -9.482 -1.319 -1.319 52 2HD LYS 7 1HD LYS 7 -9.778 0.182 0.182 53 1HE LYS 7 2HE LYS 7 -9.460 -2.549 -2.549 54 2HE LYS 7 1HE LYS 7 -11.003 -1.810 -1.810 55 1HZ LYS 7 1HZ LYS 7 -9.417 0.053 0.053 56 2HZ LYS 7 3HZ LYS 7 -9.454 -1.382 -1.382 57 3HZ LYS 7 2HZ LYS 7 -10.887 -0.636 -0.636 58 H VAL 8 H VAL 8 -4.962 1.451 1.451 59 HA VAL 8 HA VAL 8 -6.315 3.567 3.567 60 HB VAL 8 HB VAL 8 -3.374 2.712 2.712 61 1HG1 VAL 8 2HG1 VAL 8 -4.245 4.573 4.573 62 2HG1 VAL 8 1HG1 VAL 8 -4.699 5.447 5.447 63 3HG1 VAL 8 3HG1 VAL 8 -3.004 5.108 5.108 64 1HG2 VAL 8 2HG2 VAL 8 -4.767 4.172 4.172 65 2HG2 VAL 8 1HG2 VAL 8 -3.701 2.784 2.784 66 3HG2 VAL 8 3HG2 VAL 8 -3.050 4.357 4.357 67 H LEU 9 H LEU 9 -4.757 0.599 0.599 68 HA LEU 9 HA LEU 9 -4.899 1.024 1.024 69 1HB LEU 9 2HB LEU 9 -5.351 -1.760 -1.760 70 2HB LEU 9 1HB LEU 9 -4.290 -1.236 -1.236 71 HG LEU 9 HG LEU 9 -3.792 -0.915 -0.915 72 1HD1 LEU 9 2HD1 LEU 9 -2.546 -2.664 -2.664 73 2HD1 LEU 9 1HD1 LEU 9 -1.914 -2.462 -2.462 74 3HD1 LEU 9 3HD1 LEU 9 -3.496 -3.182 -3.182 75 1HD2 LEU 9 3HD2 LEU 9 -2.792 0.994 0.994 76 2HD2 LEU 9 2HD2 LEU 9 -1.601 -0.022 -0.022 77 3HD2 LEU 9 1HD2 LEU 9 -1.921 -0.207 -0.207 78 H THR 10 H THR 10 -7.242 0.260 0.260 79 HA THR 10 HA THR 10 -9.246 -0.767 -0.767 80 HB THR 10 HB THR 10 -10.146 0.404 0.404 81 HG1 THR 10 HG1 THR 10 -8.068 -1.409 -1.409 82 1HG2 THR 10 2HG2 THR 10 -11.622 -1.034 -1.034 83 2HG2 THR 10 1HG2 THR 10 -10.498 -2.364 -2.364 84 3HG2 THR 10 3HG2 THR 10 -11.411 -1.755 -1.755 85 H THR 11 H THR 11 -8.027 2.265 2.265 86 HA THR 11 HA THR 11 -10.491 3.676 3.676 87 HB THR 11 HB THR 11 -8.020 5.221 5.221 88 HG1 THR 11 HG1 THR 11 -9.635 3.984 3.984 89 1HG2 THR 11 1HG2 THR 11 -10.996 5.310 5.310 90 2HG2 THR 11 3HG2 THR 11 -9.765 6.422 6.422 91 3HG2 THR 11 2HG2 THR 11 -10.196 6.401 6.401 92 H GLY 12 H GLY 12 -7.512 2.496 2.496 93 1HA GLY 12 2HA GLY 12 -7.636 2.785 2.785 94 2HA GLY 12 1HA GLY 12 -7.323 4.475 4.475 95 H LEU 13 H LEU 13 -5.838 1.814 1.814 96 HA LEU 13 HA LEU 13 -3.600 1.444 1.444 97 1HB LEU 13 2HB LEU 13 -4.245 0.828 0.828 98 2HB LEU 13 1HB LEU 13 -2.539 0.893 0.893 99 HG LEU 13 HG LEU 13 -3.071 -0.680 -0.680 100 1HD1 LEU 13 3HD1 LEU 13 -5.650 -0.987 -0.987 101 2HD1 LEU 13 2HD1 LEU 13 -5.158 -2.054 -2.054 102 3HD1 LEU 13 1HD1 LEU 13 -5.534 -0.379 -0.379 103 1HD2 LEU 13 3HD2 LEU 13 -1.954 -1.419 -1.419 104 2HD2 LEU 13 2HD2 LEU 13 -2.914 -2.685 -2.685 105 3HD2 LEU 13 1HD2 LEU 13 -3.536 -1.807 -1.807 106 HA PRO 14 HA DPR 14 -0.664 4.875 4.875 107 1HB PRO 14 2HB DPR 14 -1.155 6.134 6.134 108 2HB PRO 14 1HB DPR 14 -2.861 5.654 5.654 109 1HG PRO 14 2HG DPR 14 -0.459 3.822 3.822 110 2HG PRO 14 1HG DPR 14 -1.915 3.968 3.968 111 1HD PRO 14 2HD DPR 14 -1.713 2.065 2.065 112 2HD PRO 14 1HD DPR 14 -3.259 2.823 2.823 113 H ALA 15 H ALA 15 -1.126 5.425 5.425 114 HA ALA 15 HA ALA 15 -2.766 7.898 7.898 115 1HB ALA 15 3HB ALA 15 -0.351 8.025 8.025 116 2HB ALA 15 2HB ALA 15 -0.596 6.862 6.862 117 3HB ALA 15 1HB ALA 15 -1.367 8.438 8.438 118 H LEU 16 H LEU 16 -3.097 4.660 4.660 119 HA LEU 16 HA LEU 16 -3.990 4.648 4.648 120 1HB LEU 16 2HB LEU 16 -4.799 3.263 3.263 121 2HB LEU 16 1HB LEU 16 -5.937 3.131 3.131 122 HG LEU 16 HG LEU 16 -4.142 1.378 1.378 123 1HD1 LEU 16 2HD1 LEU 16 -5.405 2.477 2.477 124 2HD1 LEU 16 1HD1 LEU 16 -3.724 2.516 2.516 125 3HD1 LEU 16 3HD1 LEU 16 -4.464 0.996 0.996 126 1HD2 LEU 16 1HD2 LEU 16 -2.135 2.668 2.668 127 2HD2 LEU 16 3HD2 LEU 16 -1.933 1.783 1.783 128 3HD2 LEU 16 2HD2 LEU 16 -2.245 3.505 3.505 129 H ILE 17 H ILE 17 -5.820 5.923 5.923 130 HA ILE 17 HA ILE 17 -8.299 6.410 6.410 131 HB ILE 17 HB ILE 17 -7.168 8.623 8.623 132 1HG1 ILE 17 2HG1 ILE 17 -7.830 6.926 6.926 133 2HG1 ILE 17 1HG1 ILE 17 -7.440 5.720 5.720 134 1HG2 ILE 17 1HG2 ILE 17 -9.594 8.423 8.423 135 2HG2 ILE 17 3HG2 ILE 17 -9.746 7.051 7.051 136 3HG2 ILE 17 2HG2 ILE 17 -9.357 8.643 8.643 137 1HD1 ILE 17 3HD1 ILE 17 -5.268 7.565 7.565 138 2HD1 ILE 17 2HD1 ILE 17 -5.646 7.438 7.438 139 3HD1 ILE 17 1HD1 ILE 17 -5.239 6.005 6.005 140 H SER 18 H SER 18 -5.365 8.328 8.328 141 HA SER 18 HA SER 18 -6.804 10.152 10.152 142 1HB SER 18 2HB SER 18 -4.513 10.518 10.518 143 2HB SER 18 1HB SER 18 -4.123 11.101 11.101 144 HG SER 18 HG SER 18 -5.489 12.433 12.433 145 H TRP 19 H TRP 19 -5.438 7.355 7.355 146 HA TRP 19 HA TRP 19 -3.890 7.850 7.850 147 1HB TRP 19 2HB TRP 19 -3.270 6.216 6.216 148 2HB TRP 19 1HB TRP 19 -4.060 5.038 5.038 149 HD1 TRP 19 HD1 TRP 19 -0.797 5.759 5.759 150 HE1 TRP 19 HE1 TRP 19 0.967 5.397 5.397 151 HE3 TRP 19 HE3 TRP 19 -3.847 5.748 5.748 152 HZ2 TRP 19 HZ2 TRP 19 1.040 5.158 5.158 153 HZ3 TRP 19 HZ3 TRP 19 -2.837 5.440 5.440 154 HH2 TRP 19 HH2 TRP 19 -0.396 5.143 5.143 155 H ILE 20 H ILE 20 -6.239 5.344 5.344 156 HA ILE 20 HA ILE 20 -7.063 5.169 5.169 157 HB ILE 20 HB ILE 20 -7.028 3.372 3.372 158 1HG1 ILE 20 2HG1 ILE 20 -7.814 2.820 2.820 159 2HG1 ILE 20 1HG1 ILE 20 -6.149 3.017 3.017 160 1HG2 ILE 20 2HG2 ILE 20 -9.687 3.652 3.652 161 2HG2 ILE 20 1HG2 ILE 20 -9.281 2.293 2.293 162 3HG2 ILE 20 3HG2 ILE 20 -9.423 3.911 3.911 163 1HD1 ILE 20 1HD1 ILE 20 -6.534 1.111 1.111 164 2HD1 ILE 20 3HD1 ILE 20 -8.077 0.832 0.832 165 3HD1 ILE 20 2HD1 ILE 20 -6.584 0.647 0.647 166 H LYS 21 H LYS 21 -8.534 6.031 6.031 167 HA LYS 21 HA LYS 21 -11.118 6.484 6.484 168 1HB LYS 21 2HB LYS 21 -9.719 7.042 7.042 169 2HB LYS 21 1HB LYS 21 -10.946 8.233 8.233 170 1HG LYS 21 2HG LYS 21 -12.570 6.327 6.327 171 2HG LYS 21 1HG LYS 21 -11.287 5.191 5.191 172 1HD LYS 21 2HD LYS 21 -11.932 5.242 5.242 173 2HD LYS 21 1HD LYS 21 -11.146 6.802 6.802 174 1HE LYS 21 2HE LYS 21 -13.220 7.993 7.993 175 2HE LYS 21 1HE LYS 21 -14.073 6.532 6.532 176 1HZ LYS 21 3HZ LYS 21 -13.000 6.187 6.187 177 2HZ LYS 21 2HZ LYS 21 -13.873 7.641 7.641 178 3HZ LYS 21 1HZ LYS 21 -14.634 6.196 6.196 179 H ARG 22 H ARG 22 -8.156 8.244 8.244 180 HA ARG 22 HA ARG 22 -9.290 10.802 10.802 181 1HB ARG 22 2HB ARG 22 -7.017 10.499 10.499 182 2HB ARG 22 1HB ARG 22 -6.502 9.600 9.600 183 1HG ARG 22 2HG ARG 22 -6.481 11.534 11.534 184 2HG ARG 22 1HG ARG 22 -7.697 12.352 12.352 185 1HD ARG 22 2HD ARG 22 -6.091 13.542 13.542 186 2HD ARG 22 1HD ARG 22 -5.462 12.088 12.088 187 HE ARG 22 HE ARG 22 -4.586 13.012 13.012 188 1HH1 ARG 22 1HH2 ARG 22 -3.983 10.444 10.444 189 2HH1 ARG 22 2HH2 ARG 22 -2.322 10.673 10.673 190 1HH2 ARG 22 2HH1 ARG 22 -2.560 14.103 14.103 191 2HH2 ARG 22 1HH1 ARG 22 -1.455 12.932 12.932 192 H LYS 23 H LYS 23 -8.066 8.082 8.082 193 HA LYS 23 HA LYS 23 -8.869 9.431 9.431 194 1HB LYS 23 2HB LYS 23 -7.925 7.359 7.359 195 2HB LYS 23 1HB LYS 23 -6.756 8.264 8.264 196 1HG LYS 23 2HG LYS 23 -6.915 6.719 6.719 197 2HG LYS 23 1HG LYS 23 -8.256 5.851 5.851 198 1HD LYS 23 2HD LYS 23 -5.654 6.045 6.045 199 2HD LYS 23 1HD LYS 23 -5.687 5.017 5.017 200 1HE LYS 23 2HE LYS 23 -6.706 3.356 3.356 201 2HE LYS 23 1HE LYS 23 -8.089 4.393 4.393 202 1HZ LYS 23 2HZ LYS 23 -6.091 5.223 5.223 203 2HZ LYS 23 1HZ LYS 23 -6.187 3.534 3.534 204 3HZ LYS 23 3HZ LYS 23 -7.566 4.489 4.489 205 H ARG 24 H ARG 24 -10.255 7.213 7.213 206 HA ARG 24 HA ARG 24 -12.037 6.105 6.105 207 1HB ARG 24 2HB ARG 24 -11.102 4.836 4.836 208 2HB ARG 24 1HB ARG 24 -12.434 5.629 5.629 209 1HG ARG 24 2HG ARG 24 -13.737 4.674 4.674 210 2HG ARG 24 1HG ARG 24 -12.456 3.489 3.489 211 1HD ARG 24 2HD ARG 24 -13.254 2.631 2.631 212 2HD ARG 24 1HD ARG 24 -14.069 4.129 4.129 213 HE ARG 24 HE ARG 24 -15.059 2.339 2.339 214 1HH1 ARG 24 1HH2 ARG 24 -16.141 5.061 5.061 215 2HH1 ARG 24 2HH2 ARG 24 -17.573 4.807 4.807 216 1HH2 ARG 24 2HH1 ARG 24 -16.451 1.534 1.534 217 2HH2 ARG 24 1HH1 ARG 24 -17.765 2.620 2.620 218 H GLN 25 H GLN 25 -12.023 8.573 8.573 219 HA GLN 25 HA GLN 25 -14.946 9.015 9.015 220 1HB GLN 25 2HB GLN 25 -13.078 10.310 10.310 221 2HB GLN 25 1HB GLN 25 -14.808 10.533 10.533 222 1HG GLN 25 2HG GLN 25 -15.314 8.307 8.307 223 2HG GLN 25 1HG GLN 25 -13.716 7.702 7.702 224 1HE2 GLN 25 2HE2 GLN 25 -12.497 9.664 9.664 225 2HE2 GLN 25 1HE2 GLN 25 -12.261 9.884 9.884 226 H GLN 26 H GLN 26 -11.792 10.465 10.465 227 HA GLN 26 HA GLN 26 -13.230 12.794 12.794 228 1HB GLN 26 2HB GLN 26 -11.391 13.212 13.212 229 2HB GLN 26 1HB GLN 26 -10.245 12.648 12.648 230 1HG GLN 26 2HG GLN 26 -10.580 14.491 14.491 231 2HG GLN 26 1HG GLN 26 -12.179 14.845 14.845 232 1HE2 GLN 26 2HE2 GLN 26 -8.937 16.334 16.334 233 2HE2 GLN 26 1HE2 GLN 26 -8.700 15.107 15.107 234 1HN NH2 27 1HT GLN 26 -13.653 11.926 11.926 235 2HN NH2 27 2HT GLN 26 -12.434 11.341 11.341 Start of MODEL 14 1 1H GLY 1 2H GLY 1 4.941 -1.718 -1.718 2 2H GLY 1 1H GLY 1 5.464 -1.717 -1.717 3 3H GLY 1 3H GLY 1 6.055 -2.889 -2.889 4 1HA GLY 1 2HA GLY 1 4.348 -4.244 -4.244 5 2HA GLY 1 1HA GLY 1 3.724 -3.022 -3.022 6 H ILE 2 H ILE 2 1.627 -4.104 -4.104 7 HA ILE 2 HA ILE 2 1.124 -2.455 -2.455 8 HB ILE 2 HB ILE 2 -0.804 -4.218 -4.218 9 1HG1 ILE 2 2HG1 ILE 2 -0.313 -6.440 -6.440 10 2HG1 ILE 2 1HG1 ILE 2 1.022 -5.824 -5.824 11 1HG2 ILE 2 1HG2 ILE 2 1.350 -4.044 -4.044 12 2HG2 ILE 2 3HG2 ILE 2 2.086 -5.192 -5.192 13 3HG2 ILE 2 2HG2 ILE 2 0.710 -5.666 -5.666 14 1HD1 ILE 2 2HD1 ILE 2 -1.660 -4.500 -4.500 15 2HD1 ILE 2 1HD1 ILE 2 -1.475 -6.137 -6.137 16 3HD1 ILE 2 3HD1 ILE 2 -0.424 -4.883 -4.883 17 H GLY 3 H GLY 3 0.318 -2.686 -2.686 18 1HA GLY 3 2HA GLY 3 -1.964 -2.285 -2.285 19 2HA GLY 3 1HA GLY 3 -0.929 -0.886 -0.886 20 H ALA 4 H ALA 4 -1.205 0.752 0.752 21 HA ALA 4 HA ALA 4 -4.087 1.040 1.040 22 1HB ALA 4 3HB ALA 4 -1.845 3.113 3.113 23 2HB ALA 4 2HB ALA 4 -3.515 3.460 3.460 24 3HB ALA 4 1HB ALA 4 -3.112 2.874 2.874 25 H VAL 5 H VAL 5 -1.237 0.099 0.099 26 HA VAL 5 HA VAL 5 -1.409 1.397 1.397 27 HB VAL 5 HB VAL 5 -0.392 -1.459 -1.459 28 1HG1 VAL 5 2HG1 VAL 5 -0.657 -0.698 -0.698 29 2HG1 VAL 5 1HG1 VAL 5 0.478 0.596 0.596 30 3HG1 VAL 5 3HG1 VAL 5 0.996 -1.078 -1.078 31 1HG2 VAL 5 3HG2 VAL 5 1.086 1.203 1.203 32 2HG2 VAL 5 2HG2 VAL 5 0.769 0.030 0.030 33 3HG2 VAL 5 1HG2 VAL 5 1.878 -0.362 -0.362 34 H LEU 6 H LEU 6 -2.656 -1.558 -1.558 35 HA LEU 6 HA LEU 6 -4.054 -2.725 -2.725 36 1HB LEU 6 2HB LEU 6 -5.216 -2.278 -2.278 37 2HB LEU 6 1HB LEU 6 -5.737 -3.509 -3.509 38 HG LEU 6 HG LEU 6 -2.825 -3.431 -3.431 39 1HD1 LEU 6 2HD1 LEU 6 -5.240 -4.406 -4.406 40 2HD1 LEU 6 1HD1 LEU 6 -3.704 -5.227 -5.227 41 3HD1 LEU 6 3HD1 LEU 6 -3.840 -3.525 -3.525 42 1HD2 LEU 6 1HD2 LEU 6 -3.472 -4.957 -4.957 43 2HD2 LEU 6 3HD2 LEU 6 -2.949 -5.846 -5.846 44 3HD2 LEU 6 2HD2 LEU 6 -4.657 -5.722 -5.722 45 H LYS 7 H LYS 7 -5.060 -0.116 -0.116 46 HA LYS 7 HA LYS 7 -7.574 0.534 0.534 47 1HB LYS 7 2HB LYS 7 -5.799 1.718 1.718 48 2HB LYS 7 1HB LYS 7 -5.956 2.936 2.936 49 1HG LYS 7 2HG LYS 7 -7.739 3.448 3.448 50 2HG LYS 7 1HG LYS 7 -8.543 2.504 2.504 51 1HD LYS 7 2HD LYS 7 -7.731 0.496 0.496 52 2HD LYS 7 1HD LYS 7 -7.895 1.852 1.852 53 1HE LYS 7 2HE LYS 7 -10.002 0.677 0.677 54 2HE LYS 7 1HE LYS 7 -10.237 2.221 2.221 55 1HZ LYS 7 1HZ LYS 7 -9.480 0.342 0.342 56 2HZ LYS 7 3HZ LYS 7 -10.696 -0.349 -0.349 57 3HZ LYS 7 2HZ LYS 7 -10.955 1.139 1.139 58 H VAL 8 H VAL 8 -4.460 1.669 1.669 59 HA VAL 8 HA VAL 8 -5.224 3.444 3.444 60 HB VAL 8 HB VAL 8 -2.744 1.616 1.616 61 1HG1 VAL 8 1HG1 VAL 8 -3.367 4.021 4.021 62 2HG1 VAL 8 3HG1 VAL 8 -1.689 3.656 3.656 63 3HG1 VAL 8 2HG1 VAL 8 -2.637 2.523 2.523 64 1HG2 VAL 8 1HG2 VAL 8 -3.258 4.464 4.464 65 2HG2 VAL 8 3HG2 VAL 8 -3.153 3.053 3.053 66 3HG2 VAL 8 2HG2 VAL 8 -1.742 3.593 3.593 67 H LEU 9 H LEU 9 -4.951 0.038 0.038 68 HA LEU 9 HA LEU 9 -5.561 -0.313 -0.313 69 1HB LEU 9 2HB LEU 9 -5.462 -2.640 -2.640 70 2HB LEU 9 1HB LEU 9 -4.912 -2.554 -2.554 71 HG LEU 9 HG LEU 9 -3.504 -1.057 -1.057 72 1HD1 LEU 9 3HD1 LEU 9 -3.618 -3.615 -3.615 73 2HD1 LEU 9 2HD1 LEU 9 -2.576 -3.736 -3.736 74 3HD1 LEU 9 1HD1 LEU 9 -2.036 -2.863 -2.863 75 1HD2 LEU 9 1HD2 LEU 9 -2.745 -1.881 -1.881 76 2HD2 LEU 9 3HD2 LEU 9 -2.811 -0.255 -0.255 77 3HD2 LEU 9 2HD2 LEU 9 -1.541 -1.352 -1.352 78 H THR 10 H THR 10 -7.484 0.443 0.443 79 HA THR 10 HA THR 10 -9.679 -1.431 -1.431 80 HB THR 10 HB THR 10 -10.429 0.170 0.170 81 HG1 THR 10 HG1 THR 10 -7.815 -0.875 -0.875 82 1HG2 THR 10 3HG2 THR 10 -9.736 -2.793 -2.793 83 2HG2 THR 10 2HG2 THR 10 -10.533 -2.132 -2.132 84 3HG2 THR 10 1HG2 THR 10 -11.347 -2.102 -2.102 85 H THR 11 H THR 11 -8.458 1.542 1.542 86 HA THR 11 HA THR 11 -11.118 2.709 2.709 87 HB THR 11 HB THR 11 -8.557 4.235 4.235 88 HG1 THR 11 HG1 THR 11 -10.777 4.372 4.372 89 1HG2 THR 11 1HG2 THR 11 -11.490 5.121 5.121 90 2HG2 THR 11 3HG2 THR 11 -10.189 6.146 6.146 91 3HG2 THR 11 2HG2 THR 11 -10.167 5.577 5.577 92 H GLY 12 H GLY 12 -7.644 3.016 3.016 93 1HA GLY 12 2HA GLY 12 -8.470 2.707 2.707 94 2HA GLY 12 1HA GLY 12 -7.543 4.140 4.140 95 H LEU 13 H LEU 13 -5.491 3.936 3.936 96 HA LEU 13 HA LEU 13 -3.788 1.902 1.902 97 1HB LEU 13 2HB LEU 13 -4.938 1.480 1.480 98 2HB LEU 13 1HB LEU 13 -3.193 1.607 1.607 99 HG LEU 13 HG LEU 13 -4.595 -0.280 -0.280 100 1HD1 LEU 13 3HD1 LEU 13 -5.227 -0.749 -0.749 101 2HD1 LEU 13 2HD1 LEU 13 -3.520 -0.938 -0.938 102 3HD1 LEU 13 1HD1 LEU 13 -4.303 -2.032 -2.032 103 1HD2 LEU 13 3HD2 LEU 13 -1.755 0.242 0.242 104 2HD2 LEU 13 2HD2 LEU 13 -2.369 -0.165 -0.165 105 3HD2 LEU 13 1HD2 LEU 13 -2.211 -1.406 -1.406 106 HA PRO 14 HA DPR 14 -1.308 5.573 5.573 107 1HB PRO 14 2HB DPR 14 -1.963 7.234 7.234 108 2HB PRO 14 1HB DPR 14 -3.638 7.237 7.237 109 1HG PRO 14 2HG DPR 14 -2.229 5.165 5.165 110 2HG PRO 14 1HG DPR 14 -3.786 5.931 5.931 111 1HD PRO 14 2HD DPR 14 -3.769 3.486 3.486 112 2HD PRO 14 1HD DPR 14 -4.887 4.726 4.726 113 H ALA 15 H ALA 15 -1.499 5.347 5.347 114 HA ALA 15 HA ALA 15 -2.522 7.925 7.925 115 1HB ALA 15 2HB ALA 15 -0.143 7.412 7.412 116 2HB ALA 15 1HB ALA 15 -0.544 6.004 6.004 117 3HB ALA 15 3HB ALA 15 -0.944 7.629 7.629 118 H LEU 16 H LEU 16 -3.056 4.507 4.507 119 HA LEU 16 HA LEU 16 -4.013 4.241 4.241 120 1HB LEU 16 2HB LEU 16 -4.826 3.050 3.050 121 2HB LEU 16 1HB LEU 16 -5.804 2.675 2.675 122 HG LEU 16 HG LEU 16 -3.859 1.076 1.076 123 1HD1 LEU 16 3HD1 LEU 16 -4.314 2.284 2.284 124 2HD1 LEU 16 2HD1 LEU 16 -3.281 0.890 0.890 125 3HD1 LEU 16 1HD1 LEU 16 -4.974 0.799 0.799 126 1HD2 LEU 16 1HD2 LEU 16 -2.069 2.759 2.759 127 2HD2 LEU 16 3HD2 LEU 16 -1.646 1.624 1.624 128 3HD2 LEU 16 2HD2 LEU 16 -2.157 3.240 3.240 129 H ILE 17 H ILE 17 -5.930 5.485 5.485 130 HA ILE 17 HA ILE 17 -8.351 5.802 5.802 131 HB ILE 17 HB ILE 17 -8.509 7.713 7.713 132 1HG1 ILE 17 2HG1 ILE 17 -7.319 7.086 7.086 133 2HG1 ILE 17 1HG1 ILE 17 -6.542 5.732 5.732 134 1HG2 ILE 17 2HG2 ILE 17 -8.688 4.702 4.702 135 2HG2 ILE 17 1HG2 ILE 17 -9.329 5.868 5.868 136 3HG2 ILE 17 3HG2 ILE 17 -9.985 5.795 5.795 137 1HD1 ILE 17 2HD1 ILE 17 -6.113 8.460 8.460 138 2HD1 ILE 17 1HD1 ILE 17 -5.383 8.130 8.130 139 3HD1 ILE 17 3HD1 ILE 17 -4.986 7.120 7.120 140 H SER 18 H SER 18 -5.451 7.594 7.594 141 HA SER 18 HA SER 18 -6.656 9.864 9.864 142 1HB SER 18 2HB SER 18 -3.991 9.494 9.494 143 2HB SER 18 1HB SER 18 -4.404 10.961 10.961 144 HG SER 18 HG SER 18 -5.333 11.375 11.375 145 H TRP 19 H TRP 19 -5.460 7.000 7.000 146 HA TRP 19 HA TRP 19 -3.893 7.793 7.793 147 1HB TRP 19 2HB TRP 19 -3.243 5.924 5.924 148 2HB TRP 19 1HB TRP 19 -4.234 4.883 4.883 149 HD1 TRP 19 HD1 TRP 19 -0.825 5.326 5.326 150 HE1 TRP 19 HE1 TRP 19 0.711 4.802 4.802 151 HE3 TRP 19 HE3 TRP 19 -4.250 5.536 5.536 152 HZ2 TRP 19 HZ2 TRP 19 0.510 4.512 4.512 153 HZ3 TRP 19 HZ3 TRP 19 -3.478 5.102 5.102 154 HH2 TRP 19 HH2 TRP 19 -1.101 4.591 4.591 155 H ILE 20 H ILE 20 -6.224 5.103 5.103 156 HA ILE 20 HA ILE 20 -7.108 5.498 5.498 157 HB ILE 20 HB ILE 20 -7.145 3.342 3.342 158 1HG1 ILE 20 2HG1 ILE 20 -7.616 3.275 3.275 159 2HG1 ILE 20 1HG1 ILE 20 -6.025 3.312 3.312 160 1HG2 ILE 20 3HG2 ILE 20 -9.646 3.855 3.855 161 2HG2 ILE 20 2HG2 ILE 20 -9.310 2.345 2.345 162 3HG2 ILE 20 1HG2 ILE 20 -9.519 3.841 3.841 163 1HD1 ILE 20 3HD1 ILE 20 -6.811 1.204 1.204 164 2HD1 ILE 20 2HD1 ILE 20 -8.094 1.107 1.107 165 3HD1 ILE 20 1HD1 ILE 20 -6.418 0.998 0.998 166 H LYS 21 H LYS 21 -8.491 6.025 6.025 167 HA LYS 21 HA LYS 21 -11.066 6.640 6.640 168 1HB LYS 21 2HB LYS 21 -9.892 7.037 7.037 169 2HB LYS 21 1HB LYS 21 -11.427 7.765 7.765 170 1HG LYS 21 2HG LYS 21 -12.152 5.418 5.418 171 2HG LYS 21 1HG LYS 21 -10.645 4.807 4.807 172 1HD LYS 21 2HD LYS 21 -12.072 4.344 4.344 173 2HD LYS 21 1HD LYS 21 -11.376 5.867 5.867 174 1HE LYS 21 2HE LYS 21 -13.376 7.094 7.094 175 2HE LYS 21 1HE LYS 21 -14.034 5.666 5.666 176 1HZ LYS 21 1HZ LYS 21 -13.499 5.089 5.089 177 2HZ LYS 21 3HZ LYS 21 -14.439 6.501 6.501 178 3HZ LYS 21 2HZ LYS 21 -14.995 5.073 5.073 179 H ARG 22 H ARG 22 -8.145 8.144 8.144 180 HA ARG 22 HA ARG 22 -9.210 10.900 10.900 181 1HB ARG 22 2HB ARG 22 -6.990 10.157 10.157 182 2HB ARG 22 1HB ARG 22 -6.380 9.812 9.812 183 1HG ARG 22 2HG ARG 22 -5.957 12.001 12.001 184 2HG ARG 22 1HG ARG 22 -7.563 12.512 12.512 185 1HD ARG 22 2HD ARG 22 -6.365 11.924 11.924 186 2HD ARG 22 1HD ARG 22 -5.015 12.517 12.517 187 HE ARG 22 HE ARG 22 -7.577 14.082 14.082 188 1HH1 ARG 22 2HH1 ARG 22 -5.870 15.135 15.135 189 2HH1 ARG 22 1HH1 ARG 22 -4.818 16.251 16.251 190 1HH2 ARG 22 1HH2 ARG 22 -5.626 14.671 14.671 191 2HH2 ARG 22 2HH2 ARG 22 -4.653 15.946 15.946 192 H LYS 23 H LYS 23 -7.526 8.523 8.523 193 HA LYS 23 HA LYS 23 -7.936 9.884 9.884 194 1HB LYS 23 2HB LYS 23 -6.659 8.177 8.177 195 2HB LYS 23 1HB LYS 23 -6.276 7.877 7.877 196 1HG LYS 23 2HG LYS 23 -8.162 6.177 6.177 197 2HG LYS 23 1HG LYS 23 -8.424 6.439 6.439 198 1HD LYS 23 2HD LYS 23 -5.637 5.874 5.874 199 2HD LYS 23 1HD LYS 23 -6.366 4.803 4.803 200 1HE LYS 23 2HE LYS 23 -6.392 3.641 3.641 201 2HE LYS 23 1HE LYS 23 -8.046 4.079 4.079 202 1HZ LYS 23 2HZ LYS 23 -6.905 6.252 6.252 203 2HZ LYS 23 1HZ LYS 23 -6.563 4.872 4.872 204 3HZ LYS 23 3HZ LYS 23 -8.170 5.271 5.271 205 H ARG 24 H ARG 24 -9.865 7.647 7.647 206 HA ARG 24 HA ARG 24 -11.657 7.003 7.003 207 1HB ARG 24 2HB ARG 24 -11.178 5.590 5.590 208 2HB ARG 24 1HB ARG 24 -12.220 6.687 6.687 209 1HG ARG 24 2HG ARG 24 -13.417 5.643 5.643 210 2HG ARG 24 1HG ARG 24 -12.966 4.363 4.363 211 1HD ARG 24 2HD ARG 24 -14.892 4.747 4.747 212 2HD ARG 24 1HD ARG 24 -14.320 6.356 6.356 213 HE ARG 24 HE ARG 24 -15.285 7.142 7.142 214 1HH1 ARG 24 2HH1 ARG 24 -15.878 4.307 4.307 215 2HH1 ARG 24 1HH1 ARG 24 -17.574 4.135 4.135 216 1HH2 ARG 24 1HH2 ARG 24 -17.605 7.057 7.057 217 2HH2 ARG 24 2HH2 ARG 24 -18.629 5.814 5.814 218 H GLN 25 H GLN 25 -11.230 9.694 9.694 219 HA GLN 25 HA GLN 25 -14.060 10.612 10.612 220 1HB GLN 25 2HB GLN 25 -11.633 11.492 11.492 221 2HB GLN 25 1HB GLN 25 -12.900 12.652 12.652 222 1HG GLN 25 2HG GLN 25 -14.561 10.916 10.916 223 2HG GLN 25 1HG GLN 25 -13.144 10.037 10.037 224 1HE2 GLN 25 2HE2 GLN 25 -14.265 12.818 12.818 225 2HE2 GLN 25 1HE2 GLN 25 -15.317 11.871 11.871 226 H GLN 26 H GLN 26 -10.749 11.583 11.583 227 HA GLN 26 HA GLN 26 -11.797 13.310 13.310 228 1HB GLN 26 2HB GLN 26 -10.624 14.445 14.445 229 2HB GLN 26 1HB GLN 26 -9.160 13.624 13.624 230 1HG GLN 26 2HG GLN 26 -10.239 14.898 14.898 231 2HG GLN 26 1HG GLN 26 -10.319 16.085 16.085 232 1HE2 GLN 26 2HE2 GLN 26 -6.670 15.787 15.787 233 2HE2 GLN 26 1HE2 GLN 26 -8.048 15.608 15.608 234 1HN NH2 27 1HT GLN 26 -11.704 11.435 11.435 235 2HN NH2 27 2HT GLN 26 -10.191 10.907 10.907 Start of MODEL 15 1 1H GLY 1 1H GLY 1 2.400 0.704 0.704 2 2H GLY 1 3H GLY 1 2.716 1.008 1.008 3 3H GLY 1 2H GLY 1 3.986 0.567 0.567 4 1HA GLY 1 2HA GLY 1 3.614 -1.599 -1.599 5 2HA GLY 1 1HA GLY 1 2.292 -1.133 -1.133 6 H ILE 2 H ILE 2 1.873 -3.414 -3.414 7 HA ILE 2 HA ILE 2 0.760 -2.817 -2.817 8 HB ILE 2 HB ILE 2 -0.402 -5.004 -5.004 9 1HG1 ILE 2 2HG1 ILE 2 0.636 -5.032 -5.032 10 2HG1 ILE 2 1HG1 ILE 2 -1.051 -4.913 -4.913 11 1HG2 ILE 2 1HG2 ILE 2 2.168 -4.691 -4.691 12 2HG2 ILE 2 3HG2 ILE 2 2.387 -5.349 -5.349 13 3HG2 ILE 2 2HG2 ILE 2 1.579 -6.292 -6.292 14 1HD1 ILE 2 1HD1 ILE 2 -0.649 -7.132 -7.132 15 2HD1 ILE 2 3HD1 ILE 2 0.789 -7.287 -7.287 16 3HD1 ILE 2 2HD1 ILE 2 -0.796 -7.204 -7.204 17 H GLY 3 H GLY 3 -0.710 -2.826 -2.826 18 1HA GLY 3 2HA GLY 3 -3.410 -2.596 -2.596 19 2HA GLY 3 1HA GLY 3 -2.587 -1.594 -1.594 20 H ALA 4 H ALA 4 -1.076 -0.253 -0.253 21 HA ALA 4 HA ALA 4 -3.188 1.685 1.685 22 1HB ALA 4 3HB ALA 4 -1.220 2.574 2.574 23 2HB ALA 4 2HB ALA 4 -0.141 2.005 2.005 24 3HB ALA 4 1HB ALA 4 -1.314 3.263 3.263 25 H VAL 5 H VAL 5 -0.283 0.080 0.080 26 HA VAL 5 HA VAL 5 -0.509 0.752 0.752 27 HB VAL 5 HB VAL 5 0.406 -1.961 -1.961 28 1HG1 VAL 5 2HG1 VAL 5 0.794 -0.567 -0.567 29 2HG1 VAL 5 1HG1 VAL 5 2.083 -1.608 -1.608 30 3HG1 VAL 5 3HG1 VAL 5 0.473 -2.252 -2.252 31 1HG2 VAL 5 3HG2 VAL 5 1.566 0.054 0.054 32 2HG2 VAL 5 2HG2 VAL 5 2.668 -0.956 -0.956 33 3HG2 VAL 5 1HG2 VAL 5 2.090 0.555 0.555 34 H LEU 6 H LEU 6 -2.499 -1.432 -1.432 35 HA LEU 6 HA LEU 6 -3.597 -2.595 -2.595 36 1HB LEU 6 2HB LEU 6 -4.657 -2.862 -2.862 37 2HB LEU 6 1HB LEU 6 -5.066 -3.886 -3.886 38 HG LEU 6 HG LEU 6 -2.139 -3.668 -3.668 39 1HD1 LEU 6 2HD1 LEU 6 -4.282 -5.339 -5.339 40 2HD1 LEU 6 1HD1 LEU 6 -2.572 -5.690 -5.690 41 3HD1 LEU 6 3HD1 LEU 6 -3.199 -4.177 -4.177 42 1HD2 LEU 6 1HD2 LEU 6 -3.824 -5.909 -5.909 43 2HD2 LEU 6 3HD2 LEU 6 -2.687 -4.900 -4.900 44 3HD2 LEU 6 2HD2 LEU 6 -2.107 -6.010 -6.010 45 H LYS 7 H LYS 7 -4.450 -0.354 -0.354 46 HA LYS 7 HA LYS 7 -7.072 0.269 0.269 47 1HB LYS 7 2HB LYS 7 -5.206 1.330 1.330 48 2HB LYS 7 1HB LYS 7 -5.322 2.642 2.642 49 1HG LYS 7 2HG LYS 7 -8.025 1.907 1.907 50 2HG LYS 7 1HG LYS 7 -7.283 1.696 1.696 51 1HD LYS 7 2HD LYS 7 -6.259 4.159 4.159 52 2HD LYS 7 1HD LYS 7 -7.621 4.177 4.177 53 1HE LYS 7 2HE LYS 7 -8.250 5.240 5.240 54 2HE LYS 7 1HE LYS 7 -9.192 3.780 3.780 55 1HZ LYS 7 1HZ LYS 7 -6.834 3.049 3.049 56 2HZ LYS 7 3HZ LYS 7 -7.472 4.400 4.400 57 3HZ LYS 7 2HZ LYS 7 -8.430 3.028 3.028 58 H VAL 8 H VAL 8 -4.181 1.536 1.536 59 HA VAL 8 HA VAL 8 -5.231 3.426 3.426 60 HB VAL 8 HB VAL 8 -2.848 1.659 1.659 61 1HG1 VAL 8 2HG1 VAL 8 -3.278 4.669 4.669 62 2HG1 VAL 8 1HG1 VAL 8 -1.845 3.855 3.855 63 3HG1 VAL 8 3HG1 VAL 8 -3.385 3.620 3.620 64 1HG2 VAL 8 1HG2 VAL 8 -3.040 3.374 3.374 65 2HG2 VAL 8 3HG2 VAL 8 -2.234 1.829 1.829 66 3HG2 VAL 8 2HG2 VAL 8 -1.514 3.296 3.296 67 H LEU 9 H LEU 9 -4.936 -0.022 -0.022 68 HA LEU 9 HA LEU 9 -6.028 -0.058 -0.058 69 1HB LEU 9 2HB LEU 9 -5.733 -2.631 -2.631 70 2HB LEU 9 1HB LEU 9 -5.244 -2.217 -2.217 71 HG LEU 9 HG LEU 9 -3.713 -1.294 -1.294 72 1HD1 LEU 9 1HD1 LEU 9 -3.253 -3.692 -3.692 73 2HD1 LEU 9 3HD1 LEU 9 -2.135 -3.078 -3.078 74 3HD1 LEU 9 2HD1 LEU 9 -3.697 -3.706 -3.706 75 1HD2 LEU 9 1HD2 LEU 9 -3.362 0.020 0.020 76 2HD2 LEU 9 3HD2 LEU 9 -1.924 -0.804 -0.804 77 3HD2 LEU 9 2HD2 LEU 9 -2.841 -1.468 -1.468 78 H THR 10 H THR 10 -7.567 0.584 0.584 79 HA THR 10 HA THR 10 -9.769 -1.418 -1.418 80 HB THR 10 HB THR 10 -9.981 0.657 0.657 81 HG1 THR 10 HG1 THR 10 -7.726 -0.884 -0.884 82 1HG2 THR 10 1HG2 THR 10 -10.252 -2.399 -2.399 83 2HG2 THR 10 3HG2 THR 10 -10.491 -1.424 -1.424 84 3HG2 THR 10 2HG2 THR 10 -11.573 -1.242 -1.242 85 H THR 11 H THR 11 -8.834 1.658 1.658 86 HA THR 11 HA THR 11 -11.643 2.472 2.472 87 HB THR 11 HB THR 11 -9.116 4.163 4.163 88 HG1 THR 11 HG1 THR 11 -11.778 4.218 4.218 89 1HG2 THR 11 2HG2 THR 11 -11.839 5.022 5.022 90 2HG2 THR 11 1HG2 THR 11 -10.725 6.128 6.128 91 3HG2 THR 11 3HG2 THR 11 -10.265 5.347 5.347 92 H GLY 12 H GLY 12 -8.323 3.145 3.145 93 1HA GLY 12 2HA GLY 12 -9.082 2.042 2.042 94 2HA GLY 12 1HA GLY 12 -8.511 3.711 3.711 95 H LEU 13 H LEU 13 -6.485 3.867 3.867 96 HA LEU 13 HA LEU 13 -4.401 2.286 2.286 97 1HB LEU 13 2HB LEU 13 -5.324 1.716 1.716 98 2HB LEU 13 1HB LEU 13 -3.594 1.988 1.988 99 HG LEU 13 HG LEU 13 -4.813 0.138 0.138 100 1HD1 LEU 13 3HD1 LEU 13 -5.821 -0.471 -0.471 101 2HD1 LEU 13 2HD1 LEU 13 -4.189 -0.812 -0.812 102 3HD1 LEU 13 1HD1 LEU 13 -4.879 -1.730 -1.730 103 1HD2 LEU 13 3HD2 LEU 13 -2.224 0.109 0.109 104 2HD2 LEU 13 2HD2 LEU 13 -2.385 0.697 0.697 105 3HD2 LEU 13 1HD2 LEU 13 -2.638 -0.998 -0.998 106 HA PRO 14 HA DPR 14 -2.324 6.047 6.047 107 1HB PRO 14 2HB DPR 14 -3.108 7.543 7.543 108 2HB PRO 14 1HB DPR 14 -4.592 7.853 7.853 109 1HG PRO 14 2HG DPR 14 -4.095 5.792 5.792 110 2HG PRO 14 1HG DPR 14 -5.604 6.548 6.548 111 1HD PRO 14 2HD DPR 14 -4.898 3.942 3.942 112 2HD PRO 14 1HD DPR 14 -6.050 4.964 4.964 113 H ALA 15 H ALA 15 -2.096 5.898 5.898 114 HA ALA 15 HA ALA 15 -3.191 8.293 8.293 115 1HB ALA 15 2HB ALA 15 -0.795 8.107 8.107 116 2HB ALA 15 1HB ALA 15 -0.823 6.584 6.584 117 3HB ALA 15 3HB ALA 15 -1.292 8.095 8.095 118 H LEU 16 H LEU 16 -3.392 4.854 4.854 119 HA LEU 16 HA LEU 16 -3.766 4.405 4.405 120 1HB LEU 16 2HB LEU 16 -4.957 3.167 3.167 121 2HB LEU 16 1HB LEU 16 -5.510 2.629 2.629 122 HG LEU 16 HG LEU 16 -3.558 1.317 1.317 123 1HD1 LEU 16 3HD1 LEU 16 -4.189 1.133 1.133 124 2HD1 LEU 16 2HD1 LEU 16 -3.104 2.459 2.459 125 3HD1 LEU 16 1HD1 LEU 16 -2.465 0.949 0.949 126 1HD2 LEU 16 2HD2 LEU 16 -2.136 3.179 3.179 127 2HD2 LEU 16 1HD2 LEU 16 -1.282 2.166 2.166 128 3HD2 LEU 16 3HD2 LEU 16 -1.895 3.714 3.714 129 H ILE 17 H ILE 17 -6.086 5.364 5.364 130 HA ILE 17 HA ILE 17 -8.413 5.537 5.537 131 HB ILE 17 HB ILE 17 -8.289 7.559 7.559 132 1HG1 ILE 17 2HG1 ILE 17 -8.254 5.740 5.740 133 2HG1 ILE 17 1HG1 ILE 17 -7.564 4.653 4.653 134 1HG2 ILE 17 1HG2 ILE 17 -10.367 6.638 6.638 135 2HG2 ILE 17 3HG2 ILE 17 -9.953 5.040 5.040 136 3HG2 ILE 17 2HG2 ILE 17 -10.270 6.365 6.365 137 1HD1 ILE 17 1HD1 ILE 17 -6.052 7.142 7.142 138 2HD1 ILE 17 3HD1 ILE 17 -6.233 6.678 6.678 139 3HD1 ILE 17 2HD1 ILE 17 -5.468 5.586 5.586 140 H SER 18 H SER 18 -5.666 7.478 7.478 141 HA SER 18 HA SER 18 -6.789 9.740 9.740 142 1HB SER 18 2HB SER 18 -5.220 9.836 9.836 143 2HB SER 18 1HB SER 18 -3.954 9.829 9.829 144 HG SER 18 HG SER 18 -5.872 11.717 11.717 145 H TRP 19 H TRP 19 -5.460 6.920 6.920 146 HA TRP 19 HA TRP 19 -3.713 7.910 7.910 147 1HB TRP 19 2HB TRP 19 -3.249 5.872 5.872 148 2HB TRP 19 1HB TRP 19 -3.866 4.928 4.928 149 HD1 TRP 19 HD1 TRP 19 -0.798 6.118 6.118 150 HE1 TRP 19 HE1 TRP 19 1.108 6.288 6.288 151 HE3 TRP 19 HE3 TRP 19 -3.512 5.787 5.787 152 HZ2 TRP 19 HZ2 TRP 19 1.413 6.271 6.271 153 HZ3 TRP 19 HZ3 TRP 19 -2.308 5.860 5.860 154 HH2 TRP 19 HH2 TRP 19 0.150 6.103 6.103 155 H ILE 20 H ILE 20 -6.037 5.253 5.253 156 HA ILE 20 HA ILE 20 -6.653 5.465 5.465 157 HB ILE 20 HB ILE 20 -6.803 3.508 3.508 158 1HG1 ILE 20 2HG1 ILE 20 -6.869 3.096 3.096 159 2HG1 ILE 20 1HG1 ILE 20 -5.406 3.385 3.385 160 1HG2 ILE 20 3HG2 ILE 20 -9.123 3.769 3.769 161 2HG2 ILE 20 2HG2 ILE 20 -8.846 2.329 2.329 162 3HG2 ILE 20 1HG2 ILE 20 -9.240 3.863 3.863 163 1HD1 ILE 20 1HD1 ILE 20 -6.070 1.380 1.380 164 2HD1 ILE 20 3HD1 ILE 20 -7.288 1.015 1.015 165 3HD1 ILE 20 2HD1 ILE 20 -5.594 1.014 1.014 166 H LYS 21 H LYS 21 -8.446 5.972 5.972 167 HA LYS 21 HA LYS 21 -10.864 6.619 6.619 168 1HB LYS 21 2HB LYS 21 -9.991 6.611 6.611 169 2HB LYS 21 1HB LYS 21 -10.951 8.030 8.030 170 1HG LYS 21 2HG LYS 21 -12.868 6.783 6.783 171 2HG LYS 21 1HG LYS 21 -11.958 5.387 5.387 172 1HD LYS 21 2HD LYS 21 -11.329 4.825 4.825 173 2HD LYS 21 1HD LYS 21 -12.142 6.242 6.242 174 1HE LYS 21 2HE LYS 21 -13.746 4.268 4.268 175 2HE LYS 21 1HE LYS 21 -13.321 3.797 3.797 176 1HZ LYS 21 3HZ LYS 21 -14.299 6.432 6.432 177 2HZ LYS 21 2HZ LYS 21 -15.376 5.529 5.529 178 3HZ LYS 21 1HZ LYS 21 -15.008 5.026 5.026 179 H ARG 22 H ARG 22 -7.956 8.263 8.263 180 HA ARG 22 HA ARG 22 -9.061 10.953 10.953 181 1HB ARG 22 2HB ARG 22 -7.084 10.320 10.320 182 2HB ARG 22 1HB ARG 22 -6.159 10.005 10.005 183 1HG ARG 22 2HG ARG 22 -6.462 12.430 12.430 184 2HG ARG 22 1HG ARG 22 -7.345 12.723 12.723 185 1HD ARG 22 2HD ARG 22 -5.421 11.831 11.831 186 2HD ARG 22 1HD ARG 22 -4.474 11.642 11.642 187 HE ARG 22 HE ARG 22 -4.714 14.169 14.169 188 1HH1 ARG 22 1HH2 ARG 22 -4.220 12.406 12.406 189 2HH1 ARG 22 2HH2 ARG 22 -3.826 13.787 13.787 190 1HH2 ARG 22 2HH1 ARG 22 -4.500 16.070 16.070 191 2HH2 ARG 22 1HH1 ARG 22 -4.038 15.909 15.909 192 H LYS 23 H LYS 23 -7.883 8.245 8.245 193 HA LYS 23 HA LYS 23 -7.317 9.700 9.700 194 1HB LYS 23 2HB LYS 23 -6.007 7.621 7.621 195 2HB LYS 23 1HB LYS 23 -7.345 6.662 6.662 196 1HG LYS 23 2HG LYS 23 -6.324 8.559 8.559 197 2HG LYS 23 1HG LYS 23 -5.049 7.560 7.560 198 1HD LYS 23 2HD LYS 23 -5.895 6.343 6.343 199 2HD LYS 23 1HD LYS 23 -6.531 5.516 5.516 200 1HE LYS 23 2HE LYS 23 -8.722 6.415 6.415 201 2HE LYS 23 1HE LYS 23 -8.162 7.725 7.725 202 1HZ LYS 23 2HZ LYS 23 -7.539 5.278 5.278 203 2HZ LYS 23 1HZ LYS 23 -9.173 5.264 5.264 204 3HZ LYS 23 3HZ LYS 23 -8.565 6.535 6.535 205 H ARG 24 H ARG 24 -9.720 7.599 7.599 206 HA ARG 24 HA ARG 24 -11.278 7.415 7.415 207 1HB ARG 24 2HB ARG 24 -11.069 5.635 5.635 208 2HB ARG 24 1HB ARG 24 -12.127 6.639 6.639 209 1HG ARG 24 2HG ARG 24 -13.182 6.202 6.202 210 2HG ARG 24 1HG ARG 24 -12.908 4.699 4.699 211 1HD ARG 24 2HD ARG 24 -14.347 5.465 5.465 212 2HD ARG 24 1HD ARG 24 -14.476 7.065 7.065 213 HE ARG 24 HE ARG 24 -15.762 6.055 6.055 214 1HH1 ARG 24 2HH1 ARG 24 -14.890 3.354 3.354 215 2HH1 ARG 24 1HH1 ARG 24 -16.152 2.474 2.474 216 1HH2 ARG 24 1HH2 ARG 24 -17.469 5.536 5.536 217 2HH2 ARG 24 2HH2 ARG 24 -17.746 3.836 3.836 218 H GLN 25 H GLN 25 -11.042 9.671 9.671 219 HA GLN 25 HA GLN 25 -13.795 10.722 10.722 220 1HB GLN 25 2HB GLN 25 -11.714 11.296 11.296 221 2HB GLN 25 1HB GLN 25 -13.153 12.275 12.275 222 1HG GLN 25 2HG GLN 25 -14.601 10.260 10.260 223 2HG GLN 25 1HG GLN 25 -13.176 9.257 9.257 224 1HE2 GLN 25 2HE2 GLN 25 -12.613 10.463 10.463 225 2HE2 GLN 25 1HE2 GLN 25 -11.847 9.736 9.736 226 H GLN 26 H GLN 26 -11.110 10.976 10.976 227 HA GLN 26 HA GLN 26 -11.367 13.908 13.908 228 1HB GLN 26 2HB GLN 26 -9.109 12.861 12.861 229 2HB GLN 26 1HB GLN 26 -8.864 12.315 12.315 230 1HG GLN 26 2HG GLN 26 -9.176 14.754 14.754 231 2HG GLN 26 1HG GLN 26 -9.239 15.214 15.214 232 1HE2 GLN 26 2HE2 GLN 26 -5.676 13.841 13.841 233 2HE2 GLN 26 1HE2 GLN 26 -7.119 13.124 13.124 234 1HN NH2 27 1HT GLN 26 -11.590 14.441 14.441 235 2HN NH2 27 2HT GLN 26 -11.767 13.214 13.214 Start of MODEL 16 1 1H GLY 1 2H GLY 1 5.043 3.849 3.849 2 2H GLY 1 1H GLY 1 5.523 3.869 3.869 3 3H GLY 1 3H GLY 1 6.625 3.402 3.402 4 1HA GLY 1 2HA GLY 1 5.955 1.277 1.277 5 2HA GLY 1 1HA GLY 1 4.781 1.768 1.768 6 H ILE 2 H ILE 2 3.710 -0.105 -0.105 7 HA ILE 2 HA ILE 2 2.239 1.456 1.456 8 HB ILE 2 HB ILE 2 1.683 -0.935 -0.935 9 1HG1 ILE 2 2HG1 ILE 2 4.330 -1.572 -1.572 10 2HG1 ILE 2 1HG1 ILE 2 2.753 -2.005 -2.005 11 1HG2 ILE 2 3HG2 ILE 2 3.119 0.709 0.709 12 2HG2 ILE 2 2HG2 ILE 2 4.516 0.221 0.221 13 3HG2 ILE 2 1HG2 ILE 2 3.778 -0.903 -0.903 14 1HD1 ILE 2 3HD1 ILE 2 3.426 -2.890 -2.890 15 2HD1 ILE 2 2HD1 ILE 2 4.085 -3.767 -3.767 16 3HD1 ILE 2 1HD1 ILE 2 2.350 -3.612 -3.612 17 H GLY 3 H GLY 3 0.922 2.215 2.215 18 1HA GLY 3 2HA GLY 3 -1.079 0.232 0.232 19 2HA GLY 3 1HA GLY 3 -0.934 1.914 1.914 20 H ALA 4 H ALA 4 -2.145 3.458 3.458 21 HA ALA 4 HA ALA 4 -4.436 3.085 3.085 22 1HB ALA 4 1HB ALA 4 -3.500 5.332 5.332 23 2HB ALA 4 3HB ALA 4 -2.418 5.252 5.252 24 3HB ALA 4 2HB ALA 4 -4.151 5.315 5.315 25 H VAL 5 H VAL 5 -1.348 3.214 3.214 26 HA VAL 5 HA VAL 5 -1.655 3.153 3.153 27 HB VAL 5 HB VAL 5 0.275 1.215 1.215 28 1HG1 VAL 5 3HG1 VAL 5 0.155 1.702 1.702 29 2HG1 VAL 5 2HG1 VAL 5 0.873 3.253 3.253 30 3HG1 VAL 5 1HG1 VAL 5 1.723 1.769 1.769 31 1HG2 VAL 5 2HG2 VAL 5 0.277 4.256 4.256 32 2HG2 VAL 5 1HG2 VAL 5 0.586 3.078 3.078 33 3HG2 VAL 5 3HG2 VAL 5 1.786 3.366 3.366 34 H LEU 6 H LEU 6 -2.510 0.477 0.477 35 HA LEU 6 HA LEU 6 -2.707 -1.368 -1.368 36 1HB LEU 6 2HB LEU 6 -3.550 -1.875 -1.875 37 2HB LEU 6 1HB LEU 6 -3.188 -3.065 -3.065 38 HG LEU 6 HG LEU 6 -1.156 -1.116 -1.116 39 1HD1 LEU 6 3HD1 LEU 6 -1.918 -2.994 -2.994 40 2HD1 LEU 6 2HD1 LEU 6 -1.337 -4.138 -4.138 41 3HD1 LEU 6 1HD1 LEU 6 -0.219 -3.056 -3.056 42 1HD2 LEU 6 1HD2 LEU 6 -0.905 -3.130 -3.130 43 2HD2 LEU 6 3HD2 LEU 6 -0.267 -1.495 -1.495 44 3HD2 LEU 6 2HD2 LEU 6 0.478 -2.784 -2.784 45 H LYS 7 H LYS 7 -4.760 0.856 0.856 46 HA LYS 7 HA LYS 7 -7.185 -0.699 -0.699 47 1HB LYS 7 2HB LYS 7 -6.753 0.934 0.934 48 2HB LYS 7 1HB LYS 7 -7.521 2.059 2.059 49 1HG LYS 7 2HG LYS 7 -9.313 1.028 1.028 50 2HG LYS 7 1HG LYS 7 -9.353 0.328 0.328 51 1HD LYS 7 2HD LYS 7 -8.072 -1.665 -1.665 52 2HD LYS 7 1HD LYS 7 -8.018 -0.939 -0.939 53 1HE LYS 7 2HE LYS 7 -10.501 -1.014 -1.014 54 2HE LYS 7 1HE LYS 7 -10.570 -1.688 -1.688 55 1HZ LYS 7 2HZ LYS 7 -8.795 -3.239 -3.239 56 2HZ LYS 7 1HZ LYS 7 -10.238 -3.066 -3.066 57 3HZ LYS 7 3HZ LYS 7 -10.280 -3.712 -3.712 58 H VAL 8 H VAL 8 -5.202 1.958 1.958 59 HA VAL 8 HA VAL 8 -6.982 3.319 3.319 60 HB VAL 8 HB VAL 8 -4.018 3.104 3.104 61 1HG1 VAL 8 3HG1 VAL 8 -5.665 4.709 4.709 62 2HG1 VAL 8 2HG1 VAL 8 -5.824 5.539 5.539 63 3HG1 VAL 8 1HG1 VAL 8 -4.273 5.503 5.503 64 1HG2 VAL 8 1HG2 VAL 8 -5.138 4.227 4.227 65 2HG2 VAL 8 3HG2 VAL 8 -3.755 3.168 3.168 66 3HG2 VAL 8 2HG2 VAL 8 -3.647 4.850 4.850 67 H LEU 9 H LEU 9 -4.989 0.529 0.529 68 HA LEU 9 HA LEU 9 -5.320 0.115 0.115 69 1HB LEU 9 2HB LEU 9 -4.833 -2.231 -2.231 70 2HB LEU 9 1HB LEU 9 -4.074 -1.835 -1.835 71 HG LEU 9 HG LEU 9 -3.483 -0.428 -0.428 72 1HD1 LEU 9 2HD1 LEU 9 -1.904 -2.474 -2.474 73 2HD1 LEU 9 1HD1 LEU 9 -1.339 -1.596 -1.596 74 3HD1 LEU 9 3HD1 LEU 9 -2.687 -2.709 -2.709 75 1HD2 LEU 9 1HD2 LEU 9 -2.236 -0.129 -0.129 76 2HD2 LEU 9 3HD2 LEU 9 -3.090 1.106 1.106 77 3HD2 LEU 9 2HD2 LEU 9 -1.546 0.518 0.518 78 H THR 10 H THR 10 -7.480 -0.021 -0.021 79 HA THR 10 HA THR 10 -9.106 -2.204 -2.204 80 HB THR 10 HB THR 10 -10.028 -0.730 -0.730 81 HG1 THR 10 HG1 THR 10 -7.573 -1.938 -1.938 82 1HG2 THR 10 3HG2 THR 10 -9.696 -3.704 -3.704 83 2HG2 THR 10 2HG2 THR 10 -10.525 -3.056 -3.056 84 3HG2 THR 10 1HG2 THR 10 -11.195 -2.805 -2.805 85 H THR 11 H THR 11 -8.575 1.031 1.031 86 HA THR 11 HA THR 11 -11.423 1.552 1.552 87 HB THR 11 HB THR 11 -9.480 3.840 3.840 88 HG1 THR 11 HG1 THR 11 -10.158 1.848 1.848 89 1HG2 THR 11 3HG2 THR 11 -11.933 4.213 4.213 90 2HG2 THR 11 2HG2 THR 11 -12.432 3.377 3.377 91 3HG2 THR 11 1HG2 THR 11 -11.543 4.888 4.888 92 H GLY 12 H GLY 12 -8.007 2.233 2.233 93 1HA GLY 12 2HA GLY 12 -8.857 2.405 2.405 94 2HA GLY 12 1HA GLY 12 -7.686 3.538 3.538 95 H LEU 13 H LEU 13 -5.720 2.988 2.988 96 HA LEU 13 HA LEU 13 -4.378 0.571 0.571 97 1HB LEU 13 2HB LEU 13 -5.633 0.731 0.731 98 2HB LEU 13 1HB LEU 13 -3.906 0.442 0.442 99 HG LEU 13 HG LEU 13 -5.383 -1.246 -1.246 100 1HD1 LEU 13 3HD1 LEU 13 -5.851 -1.558 -1.558 101 2HD1 LEU 13 2HD1 LEU 13 -6.310 -2.719 -2.719 102 3HD1 LEU 13 1HD1 LEU 13 -7.052 -1.133 -1.133 103 1HD2 LEU 13 1HD2 LEU 13 -2.914 -1.461 -1.461 104 2HD2 LEU 13 3HD2 LEU 13 -3.860 -2.930 -2.930 105 3HD2 LEU 13 2HD2 LEU 13 -3.498 -2.062 -2.062 106 HA PRO 14 HA DPR 14 -1.246 3.643 3.643 107 1HB PRO 14 2HB DPR 14 -1.483 5.029 5.029 108 2HB PRO 14 1HB DPR 14 -3.133 5.489 5.489 109 1HG PRO 14 2HG DPR 14 -2.178 2.872 2.872 110 2HG PRO 14 1HG DPR 14 -3.549 3.873 3.873 111 1HD PRO 14 2HD DPR 14 -3.941 1.727 1.727 112 2HD PRO 14 1HD DPR 14 -4.869 3.215 3.215 113 H ALA 15 H ALA 15 -1.477 3.947 3.947 114 HA ALA 15 HA ALA 15 -2.209 6.785 6.785 115 1HB ALA 15 1HB ALA 15 0.135 5.784 5.784 116 2HB ALA 15 3HB ALA 15 -0.601 5.017 5.017 117 3HB ALA 15 2HB ALA 15 -0.596 6.766 6.766 118 H LEU 16 H LEU 16 -3.163 3.552 3.552 119 HA LEU 16 HA LEU 16 -4.190 3.707 3.707 120 1HB LEU 16 2HB LEU 16 -5.030 2.406 2.406 121 2HB LEU 16 1HB LEU 16 -6.237 2.398 2.398 122 HG LEU 16 HG LEU 16 -4.644 0.446 0.446 123 1HD1 LEU 16 2HD1 LEU 16 -5.191 2.075 2.075 124 2HD1 LEU 16 1HD1 LEU 16 -4.261 0.589 0.589 125 3HD1 LEU 16 3HD1 LEU 16 -5.888 0.546 0.546 126 1HD2 LEU 16 2HD2 LEU 16 -2.517 1.730 1.730 127 2HD2 LEU 16 1HD2 LEU 16 -2.427 0.561 0.561 128 3HD2 LEU 16 3HD2 LEU 16 -2.584 2.264 2.264 129 H ILE 17 H ILE 17 -5.841 5.098 5.098 130 HA ILE 17 HA ILE 17 -8.214 5.827 5.827 131 HB ILE 17 HB ILE 17 -7.796 7.907 7.907 132 1HG1 ILE 17 2HG1 ILE 17 -7.010 6.839 6.839 133 2HG1 ILE 17 1HG1 ILE 17 -6.440 5.459 5.459 134 1HG2 ILE 17 2HG2 ILE 17 -9.809 6.560 6.560 135 2HG2 ILE 17 1HG2 ILE 17 -8.988 5.181 5.181 136 3HG2 ILE 17 3HG2 ILE 17 -9.286 6.637 6.637 137 1HD1 ILE 17 3HD1 ILE 17 -5.561 8.221 8.221 138 2HD1 ILE 17 2HD1 ILE 17 -4.873 7.578 7.578 139 3HD1 ILE 17 1HD1 ILE 17 -4.666 6.701 6.701 140 H SER 18 H SER 18 -5.096 7.373 7.373 141 HA SER 18 HA SER 18 -6.045 9.647 9.647 142 1HB SER 18 2HB SER 18 -3.475 9.075 9.075 143 2HB SER 18 1HB SER 18 -3.487 10.327 10.327 144 HG SER 18 HG SER 18 -4.437 10.590 10.590 145 H TRP 19 H TRP 19 -5.287 6.659 6.659 146 HA TRP 19 HA TRP 19 -3.695 7.263 7.263 147 1HB TRP 19 2HB TRP 19 -3.292 5.242 5.242 148 2HB TRP 19 1HB TRP 19 -4.413 4.392 4.392 149 HD1 TRP 19 HD1 TRP 19 -0.976 4.338 4.338 150 HE1 TRP 19 HE1 TRP 19 0.464 3.783 3.783 151 HE3 TRP 19 HE3 TRP 19 -4.362 5.315 5.315 152 HZ2 TRP 19 HZ2 TRP 19 0.211 3.772 3.772 153 HZ3 TRP 19 HZ3 TRP 19 -3.677 4.998 4.998 154 HH2 TRP 19 HH2 TRP 19 -1.390 4.225 4.225 155 H ILE 20 H ILE 20 -6.380 4.976 4.976 156 HA ILE 20 HA ILE 20 -7.298 5.516 5.516 157 HB ILE 20 HB ILE 20 -7.610 3.426 3.426 158 1HG1 ILE 20 2HG1 ILE 20 -7.658 3.256 3.256 159 2HG1 ILE 20 1HG1 ILE 20 -6.196 3.177 3.177 160 1HG2 ILE 20 2HG2 ILE 20 -9.830 4.207 4.207 161 2HG2 ILE 20 1HG2 ILE 20 -9.740 2.621 2.621 162 3HG2 ILE 20 3HG2 ILE 20 -9.860 4.090 4.090 163 1HD1 ILE 20 1HD1 ILE 20 -7.232 1.174 1.174 164 2HD1 ILE 20 3HD1 ILE 20 -8.485 1.177 1.177 165 3HD1 ILE 20 2HD1 ILE 20 -6.814 0.895 0.895 166 H LYS 21 H LYS 21 -8.405 6.043 6.043 167 HA LYS 21 HA LYS 21 -10.977 7.035 7.035 168 1HB LYS 21 2HB LYS 21 -9.671 6.634 6.634 169 2HB LYS 21 1HB LYS 21 -10.219 8.288 8.288 170 1HG LYS 21 2HG LYS 21 -12.433 6.911 6.911 171 2HG LYS 21 1HG LYS 21 -11.776 5.743 5.743 172 1HD LYS 21 2HD LYS 21 -11.714 7.611 7.611 173 2HD LYS 21 1HD LYS 21 -12.522 8.640 8.640 174 1HE LYS 21 2HE LYS 21 -14.574 7.801 7.801 175 2HE LYS 21 1HE LYS 21 -14.055 6.157 6.157 176 1HZ LYS 21 1HZ LYS 21 -12.940 6.985 6.985 177 2HZ LYS 21 3HZ LYS 21 -14.576 7.392 7.392 178 3HZ LYS 21 2HZ LYS 21 -14.088 5.789 5.789 179 H ARG 22 H ARG 22 -7.797 8.394 8.394 180 HA ARG 22 HA ARG 22 -8.627 11.174 11.174 181 1HB ARG 22 2HB ARG 22 -6.356 10.583 10.583 182 2HB ARG 22 1HB ARG 22 -6.026 9.734 9.734 183 1HG ARG 22 2HG ARG 22 -6.071 11.851 11.851 184 2HG ARG 22 1HG ARG 22 -6.714 12.719 12.719 185 1HD ARG 22 2HD ARG 22 -4.557 13.299 13.299 186 2HD ARG 22 1HD ARG 22 -4.286 11.628 11.628 187 HE ARG 22 HE ARG 22 -3.901 12.551 12.551 188 1HH1 ARG 22 1HH2 ARG 22 -3.491 9.805 9.805 189 2HH1 ARG 22 2HH2 ARG 22 -1.791 9.656 9.656 190 1HH2 ARG 22 2HH1 ARG 22 -1.436 13.116 13.116 191 2HH2 ARG 22 1HH1 ARG 22 -0.530 11.691 11.691 192 H LYS 23 H LYS 23 -7.362 8.926 8.926 193 HA LYS 23 HA LYS 23 -7.736 10.386 10.386 194 1HB LYS 23 2HB LYS 23 -6.679 8.014 8.014 195 2HB LYS 23 1HB LYS 23 -8.288 7.371 7.371 196 1HG LYS 23 2HG LYS 23 -7.095 9.227 9.227 197 2HG LYS 23 1HG LYS 23 -6.708 7.531 7.531 198 1HD LYS 23 2HD LYS 23 -9.556 8.654 8.654 199 2HD LYS 23 1HD LYS 23 -8.572 8.136 8.136 200 1HE LYS 23 2HE LYS 23 -8.417 5.819 5.819 201 2HE LYS 23 1HE LYS 23 -9.614 6.361 6.361 202 1HZ LYS 23 3HZ LYS 23 -10.554 6.962 6.962 203 2HZ LYS 23 2HZ LYS 23 -10.081 5.335 5.335 204 3HZ LYS 23 1HZ LYS 23 -11.216 5.902 5.902 205 H ARG 24 H ARG 24 -9.964 8.135 8.135 206 HA ARG 24 HA ARG 24 -12.147 8.435 8.435 207 1HB ARG 24 2HB ARG 24 -11.655 7.180 7.180 208 2HB ARG 24 1HB ARG 24 -12.902 8.330 8.330 209 1HG ARG 24 2HG ARG 24 -13.787 7.198 7.198 210 2HG ARG 24 1HG ARG 24 -13.027 5.855 5.855 211 1HD ARG 24 2HD ARG 24 -14.946 5.629 5.629 212 2HD ARG 24 1HD ARG 24 -14.571 7.119 7.119 213 HE ARG 24 HE ARG 24 -15.839 8.349 8.349 214 1HH1 ARG 24 1HH2 ARG 24 -16.510 7.180 7.180 215 2HH1 ARG 24 2HH2 ARG 24 -17.839 6.107 6.107 216 1HH2 ARG 24 2HH1 ARG 24 -17.302 6.082 6.082 217 2HH2 ARG 24 1HH1 ARG 24 -18.318 5.412 5.412 218 H GLN 25 H GLN 25 -11.025 10.861 10.861 219 HA GLN 25 HA GLN 25 -13.583 12.344 12.344 220 1HB GLN 25 2HB GLN 25 -11.353 12.187 12.187 221 2HB GLN 25 1HB GLN 25 -11.814 13.836 13.836 222 1HG GLN 25 2HG GLN 25 -14.063 11.886 11.886 223 2HG GLN 25 1HG GLN 25 -13.059 12.310 12.310 224 1HE2 GLN 25 2HE2 GLN 25 -14.554 15.708 15.708 225 2HE2 GLN 25 1HE2 GLN 25 -13.549 14.705 14.705 226 H GLN 26 H GLN 26 -10.961 12.095 12.095 227 HA GLN 26 HA GLN 26 -11.063 14.988 14.988 228 1HB GLN 26 2HB GLN 26 -8.733 13.016 13.016 229 2HB GLN 26 1HB GLN 26 -8.683 14.547 14.547 230 1HG GLN 26 2HG GLN 26 -9.365 15.555 15.555 231 2HG GLN 26 1HG GLN 26 -8.686 14.043 14.043 232 1HE2 GLN 26 2HE2 GLN 26 -6.124 16.886 16.886 233 2HE2 GLN 26 1HE2 GLN 26 -7.771 17.214 17.214 234 1HN NH2 27 1HT GLN 26 -10.198 15.157 15.157 235 2HN NH2 27 2HT GLN 26 -10.966 14.097 14.097 Start of MODEL 17 1 1H GLY 1 2H GLY 1 2.168 -5.469 -5.469 2 2H GLY 1 1H GLY 1 3.671 -5.212 -5.212 3 3H GLY 1 3H GLY 1 2.700 -6.533 -6.533 4 1HA GLY 1 2HA GLY 1 1.645 -5.265 -5.265 5 2HA GLY 1 1HA GLY 1 2.655 -3.885 -3.885 6 H ILE 2 H ILE 2 0.030 -3.270 -3.270 7 HA ILE 2 HA ILE 2 -1.143 -2.878 -2.878 8 HB ILE 2 HB ILE 2 -3.395 -3.035 -3.035 9 1HG1 ILE 2 2HG1 ILE 2 -1.886 -4.359 -4.359 10 2HG1 ILE 2 1HG1 ILE 2 -2.327 -2.669 -2.669 11 1HG2 ILE 2 1HG2 ILE 2 -2.233 -4.960 -4.960 12 2HG2 ILE 2 3HG2 ILE 2 -1.790 -5.594 -5.594 13 3HG2 ILE 2 2HG2 ILE 2 -3.479 -5.426 -5.426 14 1HD1 ILE 2 1HD1 ILE 2 -4.741 -3.330 -3.330 15 2HD1 ILE 2 3HD1 ILE 2 -4.241 -5.013 -5.013 16 3HD1 ILE 2 2HD1 ILE 2 -4.048 -4.008 -4.008 17 H GLY 3 H GLY 3 -3.199 -1.410 -1.410 18 1HA GLY 3 2HA GLY 3 -3.422 0.788 0.788 19 2HA GLY 3 1HA GLY 3 -1.675 1.007 1.007 20 H ALA 4 H ALA 4 -0.971 1.054 1.054 21 HA ALA 4 HA ALA 4 -2.722 2.866 2.866 22 1HB ALA 4 1HB ALA 4 0.286 2.461 2.461 23 2HB ALA 4 3HB ALA 4 -0.428 3.241 3.241 24 3HB ALA 4 2HB ALA 4 -0.636 3.941 3.941 25 H VAL 5 H VAL 5 -0.482 0.208 0.208 26 HA VAL 5 HA VAL 5 -0.654 -0.504 -0.504 27 HB VAL 5 HB VAL 5 -1.001 -2.716 -2.716 28 1HG1 VAL 5 2HG1 VAL 5 -0.567 -3.191 -3.191 29 2HG1 VAL 5 1HG1 VAL 5 1.031 -2.497 -2.497 30 3HG1 VAL 5 3HG1 VAL 5 0.557 -3.929 -3.929 31 1HG2 VAL 5 2HG2 VAL 5 1.354 -0.783 -0.783 32 2HG2 VAL 5 1HG2 VAL 5 0.565 -1.349 -1.349 33 3HG2 VAL 5 3HG2 VAL 5 1.597 -2.423 -2.423 34 H LEU 6 H LEU 6 -3.289 -1.046 -1.046 35 HA LEU 6 HA LEU 6 -4.755 -2.537 -2.537 36 1HB LEU 6 2HB LEU 6 -6.414 -2.931 -2.931 37 2HB LEU 6 1HB LEU 6 -4.886 -3.144 -3.144 38 HG LEU 6 HG LEU 6 -6.533 -0.627 -0.627 39 1HD1 LEU 6 2HD1 LEU 6 -6.359 -2.865 -2.865 40 2HD1 LEU 6 1HD1 LEU 6 -7.178 -1.337 -1.337 41 3HD1 LEU 6 3HD1 LEU 6 -7.767 -2.433 -2.433 42 1HD2 LEU 6 2HD2 LEU 6 -3.964 -1.444 -1.444 43 2HD2 LEU 6 1HD2 LEU 6 -4.405 0.129 0.129 44 3HD2 LEU 6 3HD2 LEU 6 -5.056 -0.388 -0.388 45 H LYS 7 H LYS 7 -4.785 0.657 0.657 46 HA LYS 7 HA LYS 7 -7.185 1.726 1.726 47 1HB LYS 7 2HB LYS 7 -4.483 3.101 3.101 48 2HB LYS 7 1HB LYS 7 -5.992 3.945 3.945 49 1HG LYS 7 2HG LYS 7 -6.148 2.008 2.008 50 2HG LYS 7 1HG LYS 7 -4.839 3.130 3.130 51 1HD LYS 7 2HD LYS 7 -6.484 4.355 4.355 52 2HD LYS 7 1HD LYS 7 -6.626 4.987 4.987 53 1HE LYS 7 2HE LYS 7 -8.454 3.269 3.269 54 2HE LYS 7 1HE LYS 7 -8.333 2.767 2.767 55 1HZ LYS 7 2HZ LYS 7 -8.631 5.569 5.569 56 2HZ LYS 7 1HZ LYS 7 -9.784 4.904 4.904 57 3HZ LYS 7 3HZ LYS 7 -9.718 4.414 4.414 58 H VAL 8 H VAL 8 -4.013 1.344 1.344 59 HA VAL 8 HA VAL 8 -4.144 2.559 2.559 60 HB VAL 8 HB VAL 8 -2.757 -0.050 -0.050 61 1HG1 VAL 8 1HG1 VAL 8 -2.819 0.406 0.406 62 2HG1 VAL 8 3HG1 VAL 8 -1.781 1.792 1.792 63 3HG1 VAL 8 2HG1 VAL 8 -1.249 0.170 0.170 64 1HG2 VAL 8 1HG2 VAL 8 -2.178 1.979 1.979 65 2HG2 VAL 8 3HG2 VAL 8 -0.805 1.360 1.360 66 3HG2 VAL 8 2HG2 VAL 8 -1.640 2.798 2.798 67 H LEU 9 H LEU 9 -5.161 -0.626 -0.626 68 HA LEU 9 HA LEU 9 -6.292 -1.246 -1.246 69 1HB LEU 9 2HB LEU 9 -6.672 -3.055 -3.055 70 2HB LEU 9 1HB LEU 9 -6.373 -3.466 -3.466 71 HG LEU 9 HG LEU 9 -4.289 -2.213 -2.213 72 1HD1 LEU 9 1HD1 LEU 9 -4.896 -4.446 -4.446 73 2HD1 LEU 9 3HD1 LEU 9 -4.576 -5.100 -5.100 74 3HD1 LEU 9 2HD1 LEU 9 -3.266 -4.411 -4.411 75 1HD2 LEU 9 3HD2 LEU 9 -4.040 -3.443 -3.443 76 2HD2 LEU 9 2HD2 LEU 9 -3.844 -1.743 -1.743 77 3HD2 LEU 9 1HD2 LEU 9 -2.687 -2.917 -2.917 78 H THR 10 H THR 10 -7.535 0.602 0.602 79 HA THR 10 HA THR 10 -10.320 -0.506 -0.506 80 HB THR 10 HB THR 10 -10.386 1.459 1.459 81 HG1 THR 10 HG1 THR 10 -8.078 -0.218 -0.218 82 1HG2 THR 10 1HG2 THR 10 -10.211 -1.608 -1.608 83 2HG2 THR 10 3HG2 THR 10 -10.470 -0.629 -0.629 84 3HG2 THR 10 2HG2 THR 10 -11.666 -0.635 -0.635 85 H THR 11 H THR 11 -8.221 2.288 2.288 86 HA THR 11 HA THR 11 -10.451 3.949 3.949 87 HB THR 11 HB THR 11 -8.631 4.653 4.653 88 HG1 THR 11 HG1 THR 11 -9.331 5.809 5.809 89 1HG2 THR 11 3HG2 THR 11 -6.668 3.773 3.773 90 2HG2 THR 11 2HG2 THR 11 -6.980 5.169 5.169 91 3HG2 THR 11 1HG2 THR 11 -6.518 5.396 5.396 92 H GLY 12 H GLY 12 -8.148 1.885 1.885 93 1HA GLY 12 2HA GLY 12 -8.754 1.449 1.449 94 2HA GLY 12 1HA GLY 12 -8.133 3.077 3.077 95 H LEU 13 H LEU 13 -5.966 3.444 3.444 96 HA LEU 13 HA LEU 13 -3.960 1.603 1.603 97 1HB LEU 13 2HB LEU 13 -4.921 1.321 1.321 98 2HB LEU 13 1HB LEU 13 -3.194 1.645 1.645 99 HG LEU 13 HG LEU 13 -4.320 -0.424 -0.424 100 1HD1 LEU 13 2HD1 LEU 13 -4.031 -0.785 -0.785 101 2HD1 LEU 13 1HD1 LEU 13 -3.925 -2.133 -2.133 102 3HD1 LEU 13 3HD1 LEU 13 -5.396 -1.191 -1.191 103 1HD2 LEU 13 3HD2 LEU 13 -1.837 0.399 0.399 104 2HD2 LEU 13 2HD2 LEU 13 -2.140 -1.323 -1.323 105 3HD2 LEU 13 1HD2 LEU 13 -1.787 -0.553 -0.553 106 HA PRO 14 HA DPR 14 -1.915 5.546 5.546 107 1HB PRO 14 2HB DPR 14 -2.945 6.823 6.823 108 2HB PRO 14 1HB DPR 14 -4.569 6.450 6.450 109 1HG PRO 14 2HG DPR 14 -2.612 4.554 4.554 110 2HG PRO 14 1HG DPR 14 -4.298 4.853 4.853 111 1HD PRO 14 2HD DPR 14 -3.574 2.760 2.760 112 2HD PRO 14 1HD DPR 14 -5.093 3.610 3.610 113 H ALA 15 H ALA 15 -1.972 5.736 5.736 114 HA ALA 15 HA ALA 15 -3.520 8.164 8.164 115 1HB ALA 15 2HB ALA 15 -1.063 8.265 8.265 116 2HB ALA 15 1HB ALA 15 -1.096 6.975 6.975 117 3HB ALA 15 3HB ALA 15 -1.853 8.529 8.529 118 H LEU 16 H LEU 16 -3.502 4.796 4.796 119 HA LEU 16 HA LEU 16 -4.067 4.642 4.642 120 1HB LEU 16 2HB LEU 16 -5.034 3.203 3.203 121 2HB LEU 16 1HB LEU 16 -5.938 2.914 2.914 122 HG LEU 16 HG LEU 16 -3.929 1.389 1.389 123 1HD1 LEU 16 1HD1 LEU 16 -4.506 2.738 2.738 124 2HD1 LEU 16 3HD1 LEU 16 -3.210 1.558 1.558 125 3HD1 LEU 16 2HD1 LEU 16 -4.843 1.091 1.091 126 1HD2 LEU 16 1HD2 LEU 16 -2.258 3.187 3.187 127 2HD2 LEU 16 3HD2 LEU 16 -1.706 2.051 2.051 128 3HD2 LEU 16 2HD2 LEU 16 -2.231 3.645 3.645 129 H ILE 17 H ILE 17 -6.371 5.658 5.658 130 HA ILE 17 HA ILE 17 -8.677 5.845 5.845 131 HB ILE 17 HB ILE 17 -8.407 8.078 8.078 132 1HG1 ILE 17 2HG1 ILE 17 -8.637 6.319 6.319 133 2HG1 ILE 17 1HG1 ILE 17 -7.922 5.177 5.177 134 1HG2 ILE 17 3HG2 ILE 17 -10.545 7.244 7.244 135 2HG2 ILE 17 2HG2 ILE 17 -10.341 5.743 5.743 136 3HG2 ILE 17 1HG2 ILE 17 -10.536 7.266 7.266 137 1HD1 ILE 17 3HD1 ILE 17 -6.265 7.524 7.524 138 2HD1 ILE 17 2HD1 ILE 17 -6.645 7.322 7.322 139 3HD1 ILE 17 1HD1 ILE 17 -5.869 6.026 6.026 140 H SER 18 H SER 18 -5.974 8.027 8.027 141 HA SER 18 HA SER 18 -7.264 9.936 9.936 142 1HB SER 18 2HB SER 18 -4.826 10.146 10.146 143 2HB SER 18 1HB SER 18 -5.141 11.349 11.349 144 HG SER 18 HG SER 18 -6.460 10.938 10.938 145 H TRP 19 H TRP 19 -5.663 7.238 7.238 146 HA TRP 19 HA TRP 19 -3.862 8.066 8.066 147 1HB TRP 19 2HB TRP 19 -3.373 6.325 6.325 148 2HB TRP 19 1HB TRP 19 -3.964 5.173 5.173 149 HD1 TRP 19 HD1 TRP 19 -0.897 5.904 5.904 150 HE1 TRP 19 HE1 TRP 19 1.078 5.846 5.846 151 HE3 TRP 19 HE3 TRP 19 -3.446 6.394 6.394 152 HZ2 TRP 19 HZ2 TRP 19 1.483 5.993 5.993 153 HZ3 TRP 19 HZ3 TRP 19 -2.122 6.456 6.456 154 HH2 TRP 19 HH2 TRP 19 0.333 6.243 6.243 155 H ILE 20 H ILE 20 -6.150 5.322 5.322 156 HA ILE 20 HA ILE 20 -6.699 5.324 5.324 157 HB ILE 20 HB ILE 20 -6.912 3.432 3.432 158 1HG1 ILE 20 2HG1 ILE 20 -6.645 3.019 3.019 159 2HG1 ILE 20 1HG1 ILE 20 -5.294 3.218 3.218 160 1HG2 ILE 20 3HG2 ILE 20 -8.995 3.602 3.602 161 2HG2 ILE 20 2HG2 ILE 20 -8.752 2.156 2.156 162 3HG2 ILE 20 1HG2 ILE 20 -9.265 3.665 3.665 163 1HD1 ILE 20 1HD1 ILE 20 -6.293 1.169 1.169 164 2HD1 ILE 20 3HD1 ILE 20 -7.251 0.915 0.915 165 3HD1 ILE 20 2HD1 ILE 20 -5.506 0.865 0.865 166 H LYS 21 H LYS 21 -8.514 5.749 5.749 167 HA LYS 21 HA LYS 21 -10.962 6.265 6.265 168 1HB LYS 21 2HB LYS 21 -10.103 6.238 6.238 169 2HB LYS 21 1HB LYS 21 -10.879 7.785 7.785 170 1HG LYS 21 2HG LYS 21 -12.811 6.586 6.586 171 2HG LYS 21 1HG LYS 21 -12.068 5.043 5.043 172 1HD LYS 21 2HD LYS 21 -12.123 5.650 5.650 173 2HD LYS 21 1HD LYS 21 -12.818 7.214 7.214 174 1HE LYS 21 2HE LYS 21 -14.736 5.879 5.879 175 2HE LYS 21 1HE LYS 21 -14.090 4.463 4.463 176 1HZ LYS 21 3HZ LYS 21 -14.312 6.531 6.531 177 2HZ LYS 21 2HZ LYS 21 -15.764 6.452 6.452 178 3HZ LYS 21 1HZ LYS 21 -15.159 5.076 5.076 179 H ARG 22 H ARG 22 -8.127 8.046 8.046 180 HA ARG 22 HA ARG 22 -9.490 10.626 10.626 181 1HB ARG 22 2HB ARG 22 -7.362 10.568 10.568 182 2HB ARG 22 1HB ARG 22 -6.545 9.802 9.802 183 1HG ARG 22 2HG ARG 22 -5.950 12.129 12.129 184 2HG ARG 22 1HG ARG 22 -6.982 11.871 11.871 185 1HD ARG 22 2HD ARG 22 -8.932 12.796 12.796 186 2HD ARG 22 1HD ARG 22 -7.987 12.902 12.902 187 HE ARG 22 HE ARG 22 -7.332 14.489 14.489 188 1HH1 ARG 22 1HH2 ARG 22 -5.328 14.742 14.742 189 2HH1 ARG 22 2HH2 ARG 22 -5.763 16.029 16.029 190 1HH2 ARG 22 2HH1 ARG 22 -9.151 15.663 15.663 191 2HH2 ARG 22 1HH1 ARG 22 -8.237 16.634 16.634 192 H LYS 23 H LYS 23 -7.033 8.793 8.793 193 HA LYS 23 HA LYS 23 -7.586 10.101 10.101 194 1HB LYS 23 2HB LYS 23 -6.221 8.418 8.418 195 2HB LYS 23 1HB LYS 23 -5.528 8.710 8.710 196 1HG LYS 23 2HG LYS 23 -6.510 6.658 6.658 197 2HG LYS 23 1HG LYS 23 -7.342 6.343 6.343 198 1HD LYS 23 2HD LYS 23 -5.377 5.834 5.834 199 2HD LYS 23 1HD LYS 23 -4.350 6.774 6.774 200 1HE LYS 23 2HE LYS 23 -4.851 5.001 5.001 201 2HE LYS 23 1HE LYS 23 -5.572 4.037 4.037 202 1HZ LYS 23 1HZ LYS 23 -3.028 4.853 4.853 203 2HZ LYS 23 3HZ LYS 23 -2.825 4.298 4.298 204 3HZ LYS 23 2HZ LYS 23 -3.515 3.296 3.296 205 H ARG 24 H ARG 24 -9.211 7.324 7.324 206 HA ARG 24 HA ARG 24 -10.627 6.640 6.640 207 1HB ARG 24 2HB ARG 24 -10.318 5.354 5.354 208 2HB ARG 24 1HB ARG 24 -11.851 6.109 6.109 209 1HG ARG 24 2HG ARG 24 -11.582 4.711 4.711 210 2HG ARG 24 1HG ARG 24 -11.511 3.690 3.690 211 1HD ARG 24 2HD ARG 24 -13.703 4.651 4.651 212 2HD ARG 24 1HD ARG 24 -13.763 5.690 5.690 213 HE ARG 24 HE ARG 24 -13.918 3.577 3.577 214 1HH1 ARG 24 2HH1 ARG 24 -13.396 1.397 1.397 215 2HH1 ARG 24 1HH1 ARG 24 -14.875 0.872 0.872 216 1HH2 ARG 24 1HH2 ARG 24 -16.288 4.090 4.090 217 2HH2 ARG 24 2HH2 ARG 24 -16.667 2.535 2.535 218 H GLN 25 H GLN 25 -10.911 9.210 9.210 219 HA GLN 25 HA GLN 25 -13.711 9.850 9.850 220 1HB GLN 25 2HB GLN 25 -11.851 10.856 10.856 221 2HB GLN 25 1HB GLN 25 -13.253 11.785 11.785 222 1HG GLN 25 2HG GLN 25 -14.702 9.784 9.784 223 2HG GLN 25 1HG GLN 25 -13.263 8.971 8.971 224 1HE2 GLN 25 2HE2 GLN 25 -14.795 10.662 10.662 225 2HE2 GLN 25 1HE2 GLN 25 -15.188 9.361 9.361 226 H GLN 26 H GLN 26 -10.476 11.164 11.164 227 HA GLN 26 HA GLN 26 -11.350 13.295 13.295 228 1HB GLN 26 2HB GLN 26 -8.867 13.333 13.333 229 2HB GLN 26 1HB GLN 26 -9.560 14.683 14.683 230 1HG GLN 26 2HG GLN 26 -11.666 14.439 14.439 231 2HG GLN 26 1HG GLN 26 -10.819 13.181 13.181 232 1HE2 GLN 26 2HE2 GLN 26 -9.183 16.908 16.908 233 2HE2 GLN 26 1HE2 GLN 26 -9.655 16.400 16.400 234 1HN NH2 27 1HT GLN 26 -11.050 11.430 11.430 235 2HN NH2 27 2HT GLN 26 -9.486 11.224 11.224 Start of MODEL 18 1 1H GLY 1 1H GLY 1 5.195 -1.461 -1.461 2 2H GLY 1 3H GLY 1 5.762 -1.353 -1.353 3 3H GLY 1 2H GLY 1 6.397 -2.533 -2.533 4 1HA GLY 1 2HA GLY 1 4.793 -3.974 -3.974 5 2HA GLY 1 1HA GLY 1 4.140 -2.749 -2.749 6 H ILE 2 H ILE 2 2.112 -4.096 -4.096 7 HA ILE 2 HA ILE 2 1.371 -2.474 -2.474 8 HB ILE 2 HB ILE 2 -0.329 -4.425 -4.425 9 1HG1 ILE 2 2HG1 ILE 2 0.384 -6.599 -6.599 10 2HG1 ILE 2 1HG1 ILE 2 1.576 -5.836 -5.836 11 1HG2 ILE 2 2HG2 ILE 2 2.689 -4.831 -4.831 12 2HG2 ILE 2 1HG2 ILE 2 1.499 -5.831 -5.831 13 3HG2 ILE 2 3HG2 ILE 2 1.624 -4.130 -4.130 14 1HD1 ILE 2 1HD1 ILE 2 -1.265 -4.835 -4.835 15 2HD1 ILE 2 3HD1 ILE 2 -0.933 -6.439 -6.439 16 3HD1 ILE 2 2HD1 ILE 2 -0.074 -5.074 -5.074 17 H GLY 3 H GLY 3 0.647 -2.873 -2.873 18 1HA GLY 3 2HA GLY 3 -1.958 -2.715 -2.715 19 2HA GLY 3 1HA GLY 3 -0.825 -1.619 -1.619 20 H ALA 4 H ALA 4 -0.300 0.212 0.212 21 HA ALA 4 HA ALA 4 -2.966 1.492 1.492 22 1HB ALA 4 3HB ALA 4 -0.214 2.714 2.714 23 2HB ALA 4 2HB ALA 4 -1.740 3.557 3.557 24 3HB ALA 4 1HB ALA 4 -1.320 2.831 2.831 25 H VAL 5 H VAL 5 -1.084 -0.329 -0.329 26 HA VAL 5 HA VAL 5 -1.267 1.227 1.227 27 HB VAL 5 HB VAL 5 -0.229 -1.643 -1.643 28 1HG1 VAL 5 3HG1 VAL 5 -0.853 -0.734 -0.734 29 2HG1 VAL 5 2HG1 VAL 5 0.547 0.311 0.311 30 3HG1 VAL 5 1HG1 VAL 5 0.740 -1.437 -1.437 31 1HG2 VAL 5 3HG2 VAL 5 1.338 0.988 0.988 32 2HG2 VAL 5 2HG2 VAL 5 1.149 -0.142 -0.142 33 3HG2 VAL 5 1HG2 VAL 5 2.082 -0.599 -0.599 34 H LEU 6 H LEU 6 -2.212 -1.928 -1.928 35 HA LEU 6 HA LEU 6 -3.950 -2.898 -2.898 36 1HB LEU 6 2HB LEU 6 -4.484 -2.776 -2.776 37 2HB LEU 6 1HB LEU 6 -5.361 -3.808 -3.808 38 HG LEU 6 HG LEU 6 -2.377 -3.921 -3.921 39 1HD1 LEU 6 2HD1 LEU 6 -4.662 -5.855 -5.855 40 2HD1 LEU 6 1HD1 LEU 6 -2.966 -6.215 -6.215 41 3HD1 LEU 6 3HD1 LEU 6 -3.737 -4.943 -4.943 42 1HD2 LEU 6 1HD2 LEU 6 -4.025 -5.175 -5.175 43 2HD2 LEU 6 3HD2 LEU 6 -2.354 -4.631 -4.631 44 3HD2 LEU 6 2HD2 LEU 6 -2.763 -6.147 -6.147 45 H LYS 7 H LYS 7 -5.048 -0.764 -0.764 46 HA LYS 7 HA LYS 7 -7.637 -0.259 -0.259 47 1HB LYS 7 2HB LYS 7 -7.179 2.206 2.206 48 2HB LYS 7 1HB LYS 7 -7.249 0.848 0.848 49 1HG LYS 7 2HG LYS 7 -4.888 0.769 0.769 50 2HG LYS 7 1HG LYS 7 -4.585 1.718 1.718 51 1HD LYS 7 2HD LYS 7 -4.255 3.309 3.309 52 2HD LYS 7 1HD LYS 7 -5.902 3.636 3.636 53 1HE LYS 7 2HE LYS 7 -6.770 2.264 2.264 54 2HE LYS 7 1HE LYS 7 -5.128 1.865 1.865 55 1HZ LYS 7 2HZ LYS 7 -5.375 4.682 4.682 56 2HZ LYS 7 1HZ LYS 7 -6.627 4.106 4.106 57 3HZ LYS 7 3HZ LYS 7 -5.024 3.746 3.746 58 H VAL 8 H VAL 8 -4.734 1.528 1.528 59 HA VAL 8 HA VAL 8 -6.028 3.305 3.305 60 HB VAL 8 HB VAL 8 -3.300 1.904 1.904 61 1HG1 VAL 8 2HG1 VAL 8 -4.464 4.242 4.242 62 2HG1 VAL 8 1HG1 VAL 8 -2.721 4.017 4.017 63 3HG1 VAL 8 3HG1 VAL 8 -3.679 2.811 2.811 64 1HG2 VAL 8 2HG2 VAL 8 -3.702 3.262 3.262 65 2HG2 VAL 8 1HG2 VAL 8 -2.439 3.923 3.923 66 3HG2 VAL 8 3HG2 VAL 8 -4.034 4.656 4.656 67 H LEU 9 H LEU 9 -4.810 0.093 0.093 68 HA LEU 9 HA LEU 9 -5.666 -0.180 -0.180 69 1HB LEU 9 2HB LEU 9 -5.501 -2.541 -2.541 70 2HB LEU 9 1HB LEU 9 -5.138 -2.511 -2.511 71 HG LEU 9 HG LEU 9 -3.498 -1.034 -1.034 72 1HD1 LEU 9 1HD1 LEU 9 -3.558 -3.645 -3.645 73 2HD1 LEU 9 3HD1 LEU 9 -2.619 -3.596 -3.596 74 3HD1 LEU 9 2HD1 LEU 9 -2.003 -2.836 -2.836 75 1HD2 LEU 9 3HD2 LEU 9 -2.994 -1.740 -1.740 76 2HD2 LEU 9 2HD2 LEU 9 -3.200 -0.126 -0.126 77 3HD2 LEU 9 1HD2 LEU 9 -1.772 -1.057 -1.057 78 H THR 10 H THR 10 -7.447 -0.095 -0.095 79 HA THR 10 HA THR 10 -9.730 -1.575 -1.575 80 HB THR 10 HB THR 10 -10.433 -0.785 -0.785 81 HG1 THR 10 HG1 THR 10 -7.696 -1.538 -1.538 82 1HG2 THR 10 3HG2 THR 10 -9.375 -3.453 -3.453 83 2HG2 THR 10 2HG2 THR 10 -10.193 -3.232 -3.232 84 3HG2 THR 10 1HG2 THR 10 -11.070 -2.968 -2.968 85 H THR 11 H THR 11 -8.484 1.252 1.252 86 HA THR 11 HA THR 11 -11.084 2.734 2.734 87 HB THR 11 HB THR 11 -8.631 4.488 4.488 88 HG1 THR 11 HG1 THR 11 -8.668 2.402 2.402 89 1HG2 THR 11 2HG2 THR 11 -11.022 5.245 5.245 90 2HG2 THR 11 1HG2 THR 11 -10.902 4.280 4.280 91 3HG2 THR 11 3HG2 THR 11 -9.835 5.651 5.651 92 H GLY 12 H GLY 12 -7.767 2.891 2.891 93 1HA GLY 12 2HA GLY 12 -8.915 2.609 2.609 94 2HA GLY 12 1HA GLY 12 -8.079 4.132 4.132 95 H LEU 13 H LEU 13 -6.281 3.945 3.945 96 HA LEU 13 HA LEU 13 -4.178 2.102 2.102 97 1HB LEU 13 2HB LEU 13 -5.524 1.908 1.908 98 2HB LEU 13 1HB LEU 13 -3.768 1.885 1.885 99 HG LEU 13 HG LEU 13 -5.209 0.061 0.061 100 1HD1 LEU 13 3HD1 LEU 13 -4.872 -0.324 -0.324 101 2HD1 LEU 13 2HD1 LEU 13 -5.095 -1.666 -1.666 102 3HD1 LEU 13 1HD1 LEU 13 -6.339 -0.439 -0.439 103 1HD2 LEU 13 3HD2 LEU 13 -2.499 0.552 0.552 104 2HD2 LEU 13 2HD2 LEU 13 -3.156 -0.894 -0.894 105 3HD2 LEU 13 1HD2 LEU 13 -2.819 -0.863 -0.863 106 HA PRO 14 HA DPR 14 -1.886 5.849 5.849 107 1HB PRO 14 2HB DPR 14 -2.536 7.446 7.446 108 2HB PRO 14 1HB DPR 14 -4.196 7.525 7.525 109 1HG PRO 14 2HG DPR 14 -2.904 5.343 5.343 110 2HG PRO 14 1HG DPR 14 -4.456 6.138 6.138 111 1HD PRO 14 2HD DPR 14 -4.412 3.742 3.742 112 2HD PRO 14 1HD DPR 14 -5.490 5.024 5.024 113 H ALA 15 H ALA 15 -1.761 5.897 5.897 114 HA ALA 15 HA ALA 15 -3.087 8.310 8.310 115 1HB ALA 15 1HB ALA 15 -0.572 8.119 8.119 116 2HB ALA 15 3HB ALA 15 -0.742 6.820 6.820 117 3HB ALA 15 2HB ALA 15 -1.309 8.440 8.440 118 H LEU 16 H LEU 16 -3.230 4.878 4.878 119 HA LEU 16 HA LEU 16 -3.730 4.503 4.503 120 1HB LEU 16 2HB LEU 16 -4.739 3.256 3.256 121 2HB LEU 16 1HB LEU 16 -5.568 2.812 2.812 122 HG LEU 16 HG LEU 16 -3.546 1.372 1.372 123 1HD1 LEU 16 3HD1 LEU 16 -3.850 2.490 2.490 124 2HD1 LEU 16 2HD1 LEU 16 -2.823 1.115 1.115 125 3HD1 LEU 16 1HD1 LEU 16 -4.544 1.018 1.018 126 1HD2 LEU 16 1HD2 LEU 16 -1.944 3.206 3.206 127 2HD2 LEU 16 3HD2 LEU 16 -1.322 2.044 2.044 128 3HD2 LEU 16 2HD2 LEU 16 -1.893 3.595 3.595 129 H ILE 17 H ILE 17 -6.061 5.541 5.541 130 HA ILE 17 HA ILE 17 -8.325 5.689 5.689 131 HB ILE 17 HB ILE 17 -8.816 7.645 7.645 132 1HG1 ILE 17 2HG1 ILE 17 -7.653 7.321 7.321 133 2HG1 ILE 17 1HG1 ILE 17 -6.535 6.191 6.191 134 1HG2 ILE 17 3HG2 ILE 17 -9.912 5.436 5.436 135 2HG2 ILE 17 2HG2 ILE 17 -8.506 4.718 4.718 136 3HG2 ILE 17 1HG2 ILE 17 -9.499 5.883 5.883 137 1HD1 ILE 17 1HD1 ILE 17 -6.789 8.902 8.902 138 2HD1 ILE 17 3HD1 ILE 17 -6.002 8.790 8.790 139 3HD1 ILE 17 2HD1 ILE 17 -5.369 7.878 7.878 140 H SER 18 H SER 18 -5.586 7.806 7.806 141 HA SER 18 HA SER 18 -6.921 9.750 9.750 142 1HB SER 18 2HB SER 18 -4.671 9.950 9.950 143 2HB SER 18 1HB SER 18 -4.616 11.045 11.045 144 HG SER 18 HG SER 18 -6.285 11.151 11.151 145 H TRP 19 H TRP 19 -5.384 7.085 7.085 146 HA TRP 19 HA TRP 19 -3.615 8.005 8.005 147 1HB TRP 19 2HB TRP 19 -3.134 6.053 6.053 148 2HB TRP 19 1HB TRP 19 -3.758 5.037 5.037 149 HD1 TRP 19 HD1 TRP 19 -0.601 5.758 5.758 150 HE1 TRP 19 HE1 TRP 19 1.311 5.745 5.745 151 HE3 TRP 19 HE3 TRP 19 -3.336 6.258 6.258 152 HZ2 TRP 19 HZ2 TRP 19 1.596 5.928 5.928 153 HZ3 TRP 19 HZ3 TRP 19 -2.137 6.339 6.339 154 HH2 TRP 19 HH2 TRP 19 0.319 6.175 6.175 155 H ILE 20 H ILE 20 -5.839 5.156 5.156 156 HA ILE 20 HA ILE 20 -6.589 5.629 5.629 157 HB ILE 20 HB ILE 20 -6.470 3.337 3.337 158 1HG1 ILE 20 2HG1 ILE 20 -6.545 2.107 2.107 159 2HG1 ILE 20 1HG1 ILE 20 -6.762 3.652 3.652 160 1HG2 ILE 20 3HG2 ILE 20 -9.001 3.696 3.696 161 2HG2 ILE 20 2HG2 ILE 20 -8.481 2.181 2.181 162 3HG2 ILE 20 1HG2 ILE 20 -8.891 3.560 3.560 163 1HD1 ILE 20 1HD1 ILE 20 -4.572 4.383 4.383 164 2HD1 ILE 20 3HD1 ILE 20 -4.366 2.676 2.676 165 3HD1 ILE 20 2HD1 ILE 20 -4.397 3.237 3.237 166 H LYS 21 H LYS 21 -8.108 5.652 5.652 167 HA LYS 21 HA LYS 21 -10.710 6.201 6.201 168 1HB LYS 21 2HB LYS 21 -9.769 5.698 5.698 169 2HB LYS 21 1HB LYS 21 -10.334 7.354 7.354 170 1HG LYS 21 2HG LYS 21 -12.423 6.326 6.326 171 2HG LYS 21 1HG LYS 21 -11.902 4.851 4.851 172 1HD LYS 21 2HD LYS 21 -13.429 5.773 5.773 173 2HD LYS 21 1HD LYS 21 -11.877 6.251 6.251 174 1HE LYS 21 2HE LYS 21 -12.651 8.402 8.402 175 2HE LYS 21 1HE LYS 21 -12.438 8.380 8.380 176 1HZ LYS 21 1HZ LYS 21 -14.933 7.163 7.163 177 2HZ LYS 21 3HZ LYS 21 -14.828 8.661 8.661 178 3HZ LYS 21 2HZ LYS 21 -14.613 8.582 8.582 179 H ARG 22 H ARG 22 -7.901 8.110 8.110 180 HA ARG 22 HA ARG 22 -9.431 10.657 10.657 181 1HB ARG 22 2HB ARG 22 -7.203 10.692 10.692 182 2HB ARG 22 1HB ARG 22 -6.462 9.956 9.956 183 1HG ARG 22 2HG ARG 22 -7.182 12.104 12.104 184 2HG ARG 22 1HG ARG 22 -7.645 12.767 12.767 185 1HD ARG 22 2HD ARG 22 -5.261 12.236 12.236 186 2HD ARG 22 1HD ARG 22 -4.847 11.828 11.828 187 HE ARG 22 HE ARG 22 -5.536 14.241 14.241 188 1HH1 ARG 22 1HH2 ARG 22 -6.525 14.800 14.800 189 2HH1 ARG 22 2HH2 ARG 22 -5.259 15.735 15.735 190 1HH2 ARG 22 2HH1 ARG 22 -2.993 14.617 14.617 191 2HH2 ARG 22 1HH1 ARG 22 -3.086 15.609 15.609 192 H LYS 23 H LYS 23 -7.263 8.838 8.838 193 HA LYS 23 HA LYS 23 -7.594 10.123 10.123 194 1HB LYS 23 2HB LYS 23 -6.130 8.041 8.041 195 2HB LYS 23 1HB LYS 23 -7.552 7.078 7.078 196 1HG LYS 23 2HG LYS 23 -7.545 8.564 8.564 197 2HG LYS 23 1HG LYS 23 -5.856 8.724 8.724 198 1HD LYS 23 2HD LYS 23 -5.723 6.747 6.747 199 2HD LYS 23 1HD LYS 23 -5.969 6.086 6.086 200 1HE LYS 23 2HE LYS 23 -7.690 4.924 4.924 201 2HE LYS 23 1HE LYS 23 -8.585 6.382 6.382 202 1HZ LYS 23 2HZ LYS 23 -7.208 6.826 6.826 203 2HZ LYS 23 1HZ LYS 23 -7.949 5.318 5.318 204 3HZ LYS 23 3HZ LYS 23 -8.873 6.699 6.699 205 H ARG 24 H ARG 24 -9.594 7.382 7.382 206 HA ARG 24 HA ARG 24 -11.398 7.472 7.472 207 1HB ARG 24 2HB ARG 24 -11.122 5.852 5.852 208 2HB ARG 24 1HB ARG 24 -12.646 6.655 6.655 209 1HG ARG 24 2HG ARG 24 -13.139 6.039 6.039 210 2HG ARG 24 1HG ARG 24 -11.863 4.868 4.868 211 1HD ARG 24 2HD ARG 24 -13.416 3.443 3.443 212 2HD ARG 24 1HD ARG 24 -13.586 4.494 4.494 213 HE ARG 24 HE ARG 24 -15.178 4.967 4.967 214 1HH1 ARG 24 2HH1 ARG 24 -15.330 6.766 6.766 215 2HH1 ARG 24 1HH1 ARG 24 -16.768 6.265 6.265 216 1HH2 ARG 24 1HH2 ARG 24 -16.726 3.159 3.159 217 2HH2 ARG 24 2HH2 ARG 24 -17.628 4.020 4.020 218 H GLN 25 H GLN 25 -11.157 9.760 9.760 219 HA GLN 25 HA GLN 25 -13.973 10.668 10.668 220 1HB GLN 25 2HB GLN 25 -11.821 11.371 11.371 221 2HB GLN 25 1HB GLN 25 -13.390 12.158 12.158 222 1HG GLN 25 2HG GLN 25 -14.531 9.937 9.937 223 2HG GLN 25 1HG GLN 25 -12.971 9.130 9.130 224 1HE2 GLN 25 2HE2 GLN 25 -12.214 10.901 10.901 225 2HE2 GLN 25 1HE2 GLN 25 -11.520 10.832 10.832 226 H GLN 26 H GLN 26 -11.236 11.050 11.050 227 HA GLN 26 HA GLN 26 -11.713 13.946 13.946 228 1HB GLN 26 2HB GLN 26 -9.419 12.912 12.912 229 2HB GLN 26 1HB GLN 26 -9.089 12.642 12.642 230 1HG GLN 26 2HG GLN 26 -9.626 15.104 15.104 231 2HG GLN 26 1HG GLN 26 -9.720 15.334 15.334 232 1HE2 GLN 26 2HE2 GLN 26 -6.144 14.337 14.337 233 2HE2 GLN 26 1HE2 GLN 26 -7.604 13.721 13.721 234 1HN NH2 27 1HT GLN 26 -10.999 10.763 10.763 235 2HN NH2 27 2HT GLN 26 -11.458 11.247 11.247 Start of MODEL 19 1 1H GLY 1 3H GLY 1 4.877 0.276 0.276 2 2H GLY 1 2H GLY 1 5.229 0.624 0.624 3 3H GLY 1 1H GLY 1 6.223 -0.449 -0.449 4 1HA GLY 1 2HA GLY 1 4.908 -2.182 -2.182 5 2HA GLY 1 1HA GLY 1 3.894 -1.062 -1.062 6 H ILE 2 H ILE 2 2.467 -2.999 -2.999 7 HA ILE 2 HA ILE 2 1.566 -1.697 -1.697 8 HB ILE 2 HB ILE 2 0.374 -4.081 -4.081 9 1HG1 ILE 2 2HG1 ILE 2 1.850 -5.896 -5.896 10 2HG1 ILE 2 1HG1 ILE 2 2.790 -4.760 -4.760 11 1HG2 ILE 2 1HG2 ILE 2 3.350 -3.588 -3.588 12 2HG2 ILE 2 3HG2 ILE 2 2.434 -4.892 -4.892 13 3HG2 ILE 2 2HG2 ILE 2 2.053 -3.230 -3.230 14 1HD1 ILE 2 3HD1 ILE 2 -0.203 -4.801 -4.801 15 2HD1 ILE 2 2HD1 ILE 2 0.714 -6.184 -6.184 16 3HD1 ILE 2 1HD1 ILE 2 1.091 -4.607 -4.607 17 H GLY 3 H GLY 3 0.493 -2.707 -2.707 18 1HA GLY 3 2HA GLY 3 -2.107 -2.999 -2.999 19 2HA GLY 3 1HA GLY 3 -1.280 -1.846 -1.846 20 H ALA 4 H ALA 4 -0.862 0.097 0.097 21 HA ALA 4 HA ALA 4 -3.642 1.192 1.192 22 1HB ALA 4 3HB ALA 4 -0.902 2.574 2.574 23 2HB ALA 4 2HB ALA 4 -2.439 3.396 3.396 24 3HB ALA 4 1HB ALA 4 -2.020 2.663 2.663 25 H VAL 5 H VAL 5 -0.680 0.887 0.887 26 HA VAL 5 HA VAL 5 -1.302 1.810 1.810 27 HB VAL 5 HB VAL 5 0.072 -0.882 -0.882 28 1HG1 VAL 5 2HG1 VAL 5 0.433 1.295 1.295 29 2HG1 VAL 5 1HG1 VAL 5 1.420 -0.154 -0.154 30 3HG1 VAL 5 3HG1 VAL 5 -0.283 -0.285 -0.285 31 1HG2 VAL 5 1HG2 VAL 5 1.091 1.959 1.959 32 2HG2 VAL 5 3HG2 VAL 5 1.188 0.595 0.595 33 3HG2 VAL 5 2HG2 VAL 5 2.194 0.639 0.639 34 H LEU 6 H LEU 6 -2.003 -1.477 -1.477 35 HA LEU 6 HA LEU 6 -3.342 -2.464 -2.464 36 1HB LEU 6 2HB LEU 6 -4.255 -2.924 -2.924 37 2HB LEU 6 1HB LEU 6 -4.582 -3.969 -3.969 38 HG LEU 6 HG LEU 6 -1.758 -3.361 -3.361 39 1HD1 LEU 6 1HD1 LEU 6 -3.550 -5.783 -5.783 40 2HD1 LEU 6 3HD1 LEU 6 -1.838 -5.735 -5.735 41 3HD1 LEU 6 2HD1 LEU 6 -2.943 -4.685 -4.685 42 1HD2 LEU 6 1HD2 LEU 6 -2.800 -5.359 -5.359 43 2HD2 LEU 6 3HD2 LEU 6 -1.759 -3.985 -3.985 44 3HD2 LEU 6 2HD2 LEU 6 -1.159 -5.328 -5.328 45 H LYS 7 H LYS 7 -4.765 -0.699 -0.699 46 HA LYS 7 HA LYS 7 -7.431 -0.557 -0.557 47 1HB LYS 7 2HB LYS 7 -5.993 0.570 0.570 48 2HB LYS 7 1HB LYS 7 -6.088 1.983 1.983 49 1HG LYS 7 2HG LYS 7 -8.636 1.623 1.623 50 2HG LYS 7 1HG LYS 7 -8.444 0.389 0.389 51 1HD LYS 7 2HD LYS 7 -7.344 3.207 3.207 52 2HD LYS 7 1HD LYS 7 -9.017 2.834 2.834 53 1HE LYS 7 2HE LYS 7 -8.498 1.387 1.387 54 2HE LYS 7 1HE LYS 7 -6.885 1.042 1.042 55 1HZ LYS 7 3HZ LYS 7 -7.059 3.806 3.806 56 2HZ LYS 7 2HZ LYS 7 -7.649 2.964 2.964 57 3HZ LYS 7 1HZ LYS 7 -6.091 2.646 2.646 58 H VAL 8 H VAL 8 -4.837 1.511 1.511 59 HA VAL 8 HA VAL 8 -6.247 3.298 3.298 60 HB VAL 8 HB VAL 8 -3.440 2.188 2.188 61 1HG1 VAL 8 3HG1 VAL 8 -4.483 3.799 3.799 62 2HG1 VAL 8 2HG1 VAL 8 -4.553 4.988 4.988 63 3HG1 VAL 8 1HG1 VAL 8 -2.996 4.379 4.379 64 1HG2 VAL 8 1HG2 VAL 8 -4.389 4.155 4.155 65 2HG2 VAL 8 3HG2 VAL 8 -3.369 2.747 2.747 66 3HG2 VAL 8 2HG2 VAL 8 -2.739 4.163 4.163 67 H LEU 9 H LEU 9 -4.785 0.182 0.182 68 HA LEU 9 HA LEU 9 -5.622 0.127 0.127 69 1HB LEU 9 2HB LEU 9 -5.108 -2.338 -2.338 70 2HB LEU 9 1HB LEU 9 -4.761 -2.086 -2.086 71 HG LEU 9 HG LEU 9 -3.284 -0.812 -0.812 72 1HD1 LEU 9 3HD1 LEU 9 -2.460 -2.845 -2.845 73 2HD1 LEU 9 2HD1 LEU 9 -1.415 -2.148 -2.148 74 3HD1 LEU 9 1HD1 LEU 9 -2.777 -3.152 -3.152 75 1HD2 LEU 9 1HD2 LEU 9 -3.418 0.739 0.739 76 2HD2 LEU 9 3HD2 LEU 9 -1.790 0.209 0.209 77 3HD2 LEU 9 2HD2 LEU 9 -2.678 -0.538 -0.538 78 H THR 10 H THR 10 -7.411 -0.069 -0.069 79 HA THR 10 HA THR 10 -9.483 -1.826 -1.826 80 HB THR 10 HB THR 10 -10.188 -0.974 -0.974 81 HG1 THR 10 HG1 THR 10 -7.472 -1.645 -1.645 82 1HG2 THR 10 2HG2 THR 10 -9.213 -3.677 -3.677 83 2HG2 THR 10 1HG2 THR 10 -10.001 -3.409 -3.409 84 3HG2 THR 10 3HG2 THR 10 -10.895 -3.161 -3.161 85 H THR 11 H THR 11 -8.468 1.143 1.143 86 HA THR 11 HA THR 11 -11.182 2.385 2.385 87 HB THR 11 HB THR 11 -8.838 4.274 4.274 88 HG1 THR 11 HG1 THR 11 -8.916 2.186 2.186 89 1HG2 THR 11 2HG2 THR 11 -11.355 4.865 4.865 90 2HG2 THR 11 1HG2 THR 11 -11.292 4.036 4.036 91 3HG2 THR 11 3HG2 THR 11 -10.297 5.455 5.455 92 H GLY 12 H GLY 12 -7.824 2.951 2.951 93 1HA GLY 12 2HA GLY 12 -8.981 2.831 2.831 94 2HA GLY 12 1HA GLY 12 -8.058 4.264 4.264 95 H LEU 13 H LEU 13 -6.151 4.093 4.093 96 HA LEU 13 HA LEU 13 -4.229 2.065 2.065 97 1HB LEU 13 2HB LEU 13 -5.743 1.709 1.709 98 2HB LEU 13 1HB LEU 13 -4.029 1.874 1.874 99 HG LEU 13 HG LEU 13 -5.066 -0.051 -0.051 100 1HD1 LEU 13 1HD1 LEU 13 -5.214 -0.264 -0.264 101 2HD1 LEU 13 3HD1 LEU 13 -4.180 -1.514 -1.514 102 3HD1 LEU 13 2HD1 LEU 13 -5.822 -1.342 -1.342 103 1HD2 LEU 13 1HD2 LEU 13 -2.380 0.437 0.437 104 2HD2 LEU 13 3HD2 LEU 13 -2.735 0.419 0.419 105 3HD2 LEU 13 2HD2 LEU 13 -2.734 -1.076 -1.076 106 HA PRO 14 HA DPR 14 -1.685 5.726 5.726 107 1HB PRO 14 2HB DPR 14 -2.392 7.420 7.420 108 2HB PRO 14 1HB DPR 14 -4.084 7.264 7.264 109 1HG PRO 14 2HG DPR 14 -2.451 5.331 5.331 110 2HG PRO 14 1HG DPR 14 -4.070 5.964 5.964 111 1HD PRO 14 2HD DPR 14 -3.696 3.515 3.515 112 2HD PRO 14 1HD DPR 14 -5.077 4.563 4.563 113 H ALA 15 H ALA 15 -1.667 5.652 5.652 114 HA ALA 15 HA ALA 15 -2.979 8.041 8.041 115 1HB ALA 15 1HB ALA 15 -0.500 7.892 7.892 116 2HB ALA 15 3HB ALA 15 -0.648 6.454 6.454 117 3HB ALA 15 2HB ALA 15 -1.238 8.007 8.007 118 H LEU 16 H LEU 16 -3.276 4.614 4.614 119 HA LEU 16 HA LEU 16 -3.747 4.208 4.208 120 1HB LEU 16 2HB LEU 16 -4.970 3.064 3.064 121 2HB LEU 16 1HB LEU 16 -5.648 2.601 2.601 122 HG LEU 16 HG LEU 16 -3.757 1.106 1.106 123 1HD1 LEU 16 1HD1 LEU 16 -4.588 1.023 1.023 124 2HD1 LEU 16 3HD1 LEU 16 -3.496 2.320 2.320 125 3HD1 LEU 16 2HD1 LEU 16 -2.858 0.766 0.766 126 1HD2 LEU 16 2HD2 LEU 16 -1.957 3.374 3.374 127 2HD2 LEU 16 1HD2 LEU 16 -2.129 2.791 2.791 128 3HD2 LEU 16 3HD2 LEU 16 -1.447 1.755 1.755 129 H ILE 17 H ILE 17 -6.060 5.376 5.376 130 HA ILE 17 HA ILE 17 -8.226 5.666 5.666 131 HB ILE 17 HB ILE 17 -8.407 7.842 7.842 132 1HG1 ILE 17 2HG1 ILE 17 -8.056 6.648 6.648 133 2HG1 ILE 17 1HG1 ILE 17 -7.264 5.335 5.335 134 1HG2 ILE 17 1HG2 ILE 17 -10.222 6.332 6.332 135 2HG2 ILE 17 3HG2 ILE 17 -9.541 5.039 5.039 136 3HG2 ILE 17 2HG2 ILE 17 -10.145 6.502 6.502 137 1HD1 ILE 17 3HD1 ILE 17 -6.224 8.096 8.096 138 2HD1 ILE 17 2HD1 ILE 17 -6.016 7.536 7.536 139 3HD1 ILE 17 1HD1 ILE 17 -5.316 6.630 6.630 140 H SER 18 H SER 18 -5.564 7.827 7.827 141 HA SER 18 HA SER 18 -6.332 10.012 10.012 142 1HB SER 18 2HB SER 18 -3.478 9.474 9.474 143 2HB SER 18 1HB SER 18 -4.373 10.998 10.998 144 HG SER 18 HG SER 18 -4.880 10.505 10.505 145 H TRP 19 H TRP 19 -5.223 7.040 7.040 146 HA TRP 19 HA TRP 19 -3.790 7.905 7.905 147 1HB TRP 19 2HB TRP 19 -3.172 5.939 5.939 148 2HB TRP 19 1HB TRP 19 -3.970 4.958 4.958 149 HD1 TRP 19 HD1 TRP 19 -0.728 5.671 5.671 150 HE1 TRP 19 HE1 TRP 19 1.025 5.619 5.619 151 HE3 TRP 19 HE3 TRP 19 -3.771 6.056 6.056 152 HZ2 TRP 19 HZ2 TRP 19 1.149 5.714 5.714 153 HZ3 TRP 19 HZ3 TRP 19 -2.690 6.064 6.064 154 HH2 TRP 19 HH2 TRP 19 -0.232 5.890 5.890 155 H ILE 20 H ILE 20 -6.128 5.284 5.284 156 HA ILE 20 HA ILE 20 -7.106 5.561 5.561 157 HB ILE 20 HB ILE 20 -7.021 3.506 3.506 158 1HG1 ILE 20 2HG1 ILE 20 -7.218 2.039 2.039 159 2HG1 ILE 20 1HG1 ILE 20 -7.220 3.518 3.518 160 1HG2 ILE 20 3HG2 ILE 20 -9.531 3.805 3.805 161 2HG2 ILE 20 2HG2 ILE 20 -9.105 2.381 2.381 162 3HG2 ILE 20 1HG2 ILE 20 -9.420 3.924 3.924 163 1HD1 ILE 20 1HD1 ILE 20 -5.023 4.160 4.160 164 2HD1 ILE 20 3HD1 ILE 20 -5.027 2.644 2.644 165 3HD1 ILE 20 2HD1 ILE 20 -4.908 2.643 2.643 166 H LYS 21 H LYS 21 -8.371 6.247 6.247 167 HA LYS 21 HA LYS 21 -10.983 6.767 6.767 168 1HB LYS 21 2HB LYS 21 -9.870 6.569 6.569 169 2HB LYS 21 1HB LYS 21 -10.458 8.207 8.207 170 1HG LYS 21 2HG LYS 21 -12.549 6.907 6.907 171 2HG LYS 21 1HG LYS 21 -11.917 5.579 5.579 172 1HD LYS 21 2HD LYS 21 -12.067 7.112 7.112 173 2HD LYS 21 1HD LYS 21 -12.660 8.376 8.376 174 1HE LYS 21 2HE LYS 21 -14.563 7.476 7.476 175 2HE LYS 21 1HE LYS 21 -14.583 6.817 6.817 176 1HZ LYS 21 1HZ LYS 21 -13.144 5.093 5.093 177 2HZ LYS 21 3HZ LYS 21 -14.708 5.403 5.403 178 3HZ LYS 21 2HZ LYS 21 -14.510 4.762 4.762 179 H ARG 22 H ARG 22 -8.038 8.353 8.353 180 HA ARG 22 HA ARG 22 -9.176 11.044 11.044 181 1HB ARG 22 2HB ARG 22 -7.040 10.194 10.194 182 2HB ARG 22 1HB ARG 22 -6.271 10.320 10.320 183 1HG ARG 22 2HG ARG 22 -7.667 12.736 12.736 184 2HG ARG 22 1HG ARG 22 -7.297 12.436 12.436 185 1HD ARG 22 2HD ARG 22 -5.189 13.189 13.189 186 2HD ARG 22 1HD ARG 22 -4.872 11.825 11.825 187 HE ARG 22 HE ARG 22 -5.899 13.218 13.218 188 1HH1 ARG 22 1HH2 ARG 22 -6.783 15.326 15.326 189 2HH1 ARG 22 2HH2 ARG 22 -5.605 16.580 16.580 190 1HH2 ARG 22 2HH1 ARG 22 -3.359 14.281 14.281 191 2HH2 ARG 22 1HH1 ARG 22 -3.494 15.926 15.926 192 H LYS 23 H LYS 23 -7.946 8.364 8.364 193 HA LYS 23 HA LYS 23 -7.666 9.981 9.981 194 1HB LYS 23 2HB LYS 23 -6.089 8.094 8.094 195 2HB LYS 23 1HB LYS 23 -7.375 6.974 6.974 196 1HG LYS 23 2HG LYS 23 -7.296 8.455 8.455 197 2HG LYS 23 1HG LYS 23 -5.672 8.753 8.753 198 1HD LYS 23 2HD LYS 23 -5.702 6.850 6.850 199 2HD LYS 23 1HD LYS 23 -5.217 6.327 6.327 200 1HE LYS 23 2HE LYS 23 -7.232 5.175 5.175 201 2HE LYS 23 1HE LYS 23 -8.175 6.201 6.201 202 1HZ LYS 23 3HZ LYS 23 -6.207 4.846 4.846 203 2HZ LYS 23 2HZ LYS 23 -7.012 3.718 3.718 204 3HZ LYS 23 1HZ LYS 23 -7.893 4.712 4.712 205 H ARG 24 H ARG 24 -9.792 7.569 7.569 206 HA ARG 24 HA ARG 24 -11.417 7.047 7.047 207 1HB ARG 24 2HB ARG 24 -11.395 5.781 5.781 208 2HB ARG 24 1HB ARG 24 -12.356 7.077 7.077 209 1HG ARG 24 2HG ARG 24 -13.464 6.077 6.077 210 2HG ARG 24 1HG ARG 24 -13.269 4.781 4.781 211 1HD ARG 24 2HD ARG 24 -14.902 5.628 5.628 212 2HD ARG 24 1HD ARG 24 -14.535 7.305 7.305 213 HE ARG 24 HE ARG 24 -15.963 5.552 5.552 214 1HH1 ARG 24 1HH2 ARG 24 -15.213 8.315 8.315 215 2HH1 ARG 24 2HH2 ARG 24 -16.640 9.220 9.220 216 1HH2 ARG 24 2HH1 ARG 24 -17.892 6.557 6.557 217 2HH2 ARG 24 1HH1 ARG 24 -18.288 8.147 8.147 218 H GLN 25 H GLN 25 -11.111 9.841 9.841 219 HA GLN 25 HA GLN 25 -13.781 10.925 10.925 220 1HB GLN 25 2HB GLN 25 -12.962 12.919 12.919 221 2HB GLN 25 1HB GLN 25 -13.334 11.435 11.435 222 1HG GLN 25 2HG GLN 25 -10.870 10.857 10.857 223 2HG GLN 25 1HG GLN 25 -10.557 12.372 12.372 224 1HE2 GLN 25 2HE2 GLN 25 -11.623 12.502 12.502 225 2HE2 GLN 25 1HE2 GLN 25 -12.183 11.215 11.215 226 H GLN 26 H GLN 26 -11.000 10.552 10.552 227 HA GLN 26 HA GLN 26 -11.072 13.217 13.217 228 1HB GLN 26 2HB GLN 26 -8.894 11.798 11.798 229 2HB GLN 26 1HB GLN 26 -8.539 11.838 11.838 230 1HG GLN 26 2HG GLN 26 -9.496 14.435 14.435 231 2HG GLN 26 1HG GLN 26 -7.910 13.885 13.885 232 1HE2 GLN 26 2HE2 GLN 26 -6.608 15.268 15.268 233 2HE2 GLN 26 1HE2 GLN 26 -6.503 15.157 15.157 234 1HN NH2 27 1HT GLN 26 -9.925 12.860 12.860 235 2HN NH2 27 2HT GLN 26 -10.594 11.561 11.561 Start of MODEL 20 1 1H GLY 1 2H GLY 1 5.219 -1.164 -1.164 2 2H GLY 1 1H GLY 1 5.837 -0.602 -0.602 3 3H GLY 1 3H GLY 1 6.535 -1.961 -1.961 4 1HA GLY 1 2HA GLY 1 5.086 -3.322 -3.322 5 2HA GLY 1 1HA GLY 1 4.380 -1.904 -1.904 6 H ILE 2 H ILE 2 2.492 -3.694 -3.694 7 HA ILE 2 HA ILE 2 1.411 -2.867 -2.867 8 HB ILE 2 HB ILE 2 -0.095 -4.909 -4.909 9 1HG1 ILE 2 2HG1 ILE 2 0.456 -5.115 -5.115 10 2HG1 ILE 2 1HG1 ILE 2 0.383 -6.557 -6.557 11 1HG2 ILE 2 3HG2 ILE 2 2.867 -5.076 -5.076 12 2HG2 ILE 2 2HG2 ILE 2 1.850 -6.502 -6.502 13 3HG2 ILE 2 1HG2 ILE 2 1.519 -5.142 -5.142 14 1HD1 ILE 2 3HD1 ILE 2 3.150 -5.543 -5.543 15 2HD1 ILE 2 2HD1 ILE 2 2.538 -5.829 -5.829 16 3HD1 ILE 2 1HD1 ILE 2 2.521 -7.112 -7.112 17 H GLY 3 H GLY 3 0.649 -3.106 -3.106 18 1HA GLY 3 2HA GLY 3 -1.755 -2.820 -2.820 19 2HA GLY 3 1HA GLY 3 -0.712 -1.484 -1.484 20 H ALA 4 H ALA 4 -0.618 0.041 0.041 21 HA ALA 4 HA ALA 4 -3.443 0.933 0.933 22 1HB ALA 4 3HB ALA 4 -1.813 2.576 2.576 23 2HB ALA 4 2HB ALA 4 -0.838 2.444 2.444 24 3HB ALA 4 1HB ALA 4 -2.458 3.110 3.110 25 H VAL 5 H VAL 5 -0.636 -0.032 -0.032 26 HA VAL 5 HA VAL 5 -1.278 0.750 0.750 27 HB VAL 5 HB VAL 5 -0.088 -1.995 -1.995 28 1HG1 VAL 5 1HG1 VAL 5 0.306 0.018 0.018 29 2HG1 VAL 5 3HG1 VAL 5 1.459 -1.272 -1.272 30 3HG1 VAL 5 2HG1 VAL 5 -0.198 -1.656 -1.656 31 1HG2 VAL 5 1HG2 VAL 5 1.229 0.744 0.744 32 2HG2 VAL 5 3HG2 VAL 5 1.139 -0.546 -0.546 33 3HG2 VAL 5 2HG2 VAL 5 2.167 -0.722 -0.722 34 H LEU 6 H LEU 6 -2.131 -2.129 -2.129 35 HA LEU 6 HA LEU 6 -3.752 -3.421 -3.421 36 1HB LEU 6 2HB LEU 6 -4.007 -3.381 -3.381 37 2HB LEU 6 1HB LEU 6 -4.885 -4.497 -4.497 38 HG LEU 6 HG LEU 6 -1.847 -4.280 -4.280 39 1HD1 LEU 6 2HD1 LEU 6 -3.627 -6.131 -6.131 40 2HD1 LEU 6 1HD1 LEU 6 -1.901 -6.353 -6.353 41 3HD1 LEU 6 3HD1 LEU 6 -2.518 -4.926 -4.926 42 1HD2 LEU 6 1HD2 LEU 6 -3.892 -6.250 -6.250 43 2HD2 LEU 6 3HD2 LEU 6 -2.604 -5.434 -5.434 44 3HD2 LEU 6 2HD2 LEU 6 -2.224 -6.734 -6.734 45 H LYS 7 H LYS 7 -4.438 -0.587 -0.587 46 HA LYS 7 HA LYS 7 -7.346 -0.820 -0.820 47 1HB LYS 7 2HB LYS 7 -5.670 1.076 1.076 48 2HB LYS 7 1HB LYS 7 -7.262 1.560 1.560 49 1HG LYS 7 2HG LYS 7 -7.670 0.576 0.576 50 2HG LYS 7 1HG LYS 7 -8.157 -0.644 -0.644 51 1HD LYS 7 2HD LYS 7 -6.076 -1.917 -1.917 52 2HD LYS 7 1HD LYS 7 -5.340 -0.580 -0.580 53 1HE LYS 7 2HE LYS 7 -6.065 -2.316 -2.316 54 2HE LYS 7 1HE LYS 7 -6.914 -0.802 -0.802 55 1HZ LYS 7 1HZ LYS 7 -8.370 -2.303 -2.303 56 2HZ LYS 7 3HZ LYS 7 -8.023 -3.320 -3.320 57 3HZ LYS 7 2HZ LYS 7 -8.848 -1.866 -1.866 58 H VAL 8 H VAL 8 -4.435 0.820 0.820 59 HA VAL 8 HA VAL 8 -5.522 2.976 2.976 60 HB VAL 8 HB VAL 8 -3.140 1.117 1.117 61 1HG1 VAL 8 3HG1 VAL 8 -3.964 3.705 3.705 62 2HG1 VAL 8 2HG1 VAL 8 -2.310 3.093 3.093 63 3HG1 VAL 8 1HG1 VAL 8 -3.631 2.161 2.161 64 1HG2 VAL 8 1HG2 VAL 8 -3.040 2.467 2.467 65 2HG2 VAL 8 3HG2 VAL 8 -1.768 2.886 2.886 66 3HG2 VAL 8 2HG2 VAL 8 -3.170 3.926 3.926 67 H LEU 9 H LEU 9 -4.934 -0.334 -0.334 68 HA LEU 9 HA LEU 9 -6.123 -0.219 -0.219 69 1HB LEU 9 2HB LEU 9 -6.198 -2.808 -2.808 70 2HB LEU 9 1HB LEU 9 -5.711 -2.499 -2.499 71 HG LEU 9 HG LEU 9 -4.070 -1.884 -1.884 72 1HD1 LEU 9 2HD1 LEU 9 -3.723 -3.913 -3.913 73 2HD1 LEU 9 1HD1 LEU 9 -2.561 -3.598 -3.598 74 3HD1 LEU 9 3HD1 LEU 9 -4.145 -4.241 -4.241 75 1HD2 LEU 9 2HD2 LEU 9 -3.844 -0.860 -0.860 76 2HD2 LEU 9 1HD2 LEU 9 -3.044 -0.287 -0.287 77 3HD2 LEU 9 3HD2 LEU 9 -2.382 -1.635 -1.635 78 H THR 10 H THR 10 -7.788 0.371 0.371 79 HA THR 10 HA THR 10 -10.215 -1.163 -1.163 80 HB THR 10 HB THR 10 -10.067 0.564 0.564 81 HG1 THR 10 HG1 THR 10 -8.348 -1.368 -1.368 82 1HG2 THR 10 2HG2 THR 10 -12.169 -0.788 -0.788 83 2HG2 THR 10 1HG2 THR 10 -11.190 -2.246 -2.246 84 3HG2 THR 10 3HG2 THR 10 -11.460 -1.266 -1.266 85 H THR 11 H THR 11 -8.661 1.744 1.744 86 HA THR 11 HA THR 11 -11.204 3.173 3.173 87 HB THR 11 HB THR 11 -8.513 4.542 4.542 88 HG1 THR 11 HG1 THR 11 -10.527 4.311 4.311 89 1HG2 THR 11 2HG2 THR 11 -11.480 5.371 5.371 90 2HG2 THR 11 1HG2 THR 11 -10.294 6.246 6.246 91 3HG2 THR 11 3HG2 THR 11 -10.131 6.179 6.179 92 H GLY 12 H GLY 12 -7.705 3.200 3.200 93 1HA GLY 12 2HA GLY 12 -8.637 2.903 2.903 94 2HA GLY 12 1HA GLY 12 -7.753 4.382 4.382 95 H LEU 13 H LEU 13 -5.702 4.275 4.275 96 HA LEU 13 HA LEU 13 -3.838 2.303 2.303 97 1HB LEU 13 2HB LEU 13 -5.084 1.886 1.886 98 2HB LEU 13 1HB LEU 13 -3.344 2.054 2.054 99 HG LEU 13 HG LEU 13 -4.417 0.263 0.263 100 1HD1 LEU 13 3HD1 LEU 13 -4.281 -0.573 -0.573 101 2HD1 LEU 13 2HD1 LEU 13 -4.512 -1.654 -1.654 102 3HD1 LEU 13 1HD1 LEU 13 -5.726 -0.449 -0.449 103 1HD2 LEU 13 3HD2 LEU 13 -1.915 0.854 0.854 104 2HD2 LEU 13 2HD2 LEU 13 -2.319 -0.841 -0.841 105 3HD2 LEU 13 1HD2 LEU 13 -2.061 -0.179 -0.179 106 HA PRO 14 HA DPR 14 -1.483 5.928 5.928 107 1HB PRO 14 2HB DPR 14 -2.072 7.406 7.406 108 2HB PRO 14 1HB DPR 14 -3.734 7.586 7.586 109 1HG PRO 14 2HG DPR 14 -2.532 5.258 5.258 110 2HG PRO 14 1HG DPR 14 -4.056 6.092 6.092 111 1HD PRO 14 2HD DPR 14 -4.092 3.791 3.791 112 2HD PRO 14 1HD DPR 14 -5.108 5.144 5.144 113 H ALA 15 H ALA 15 -1.630 5.937 5.937 114 HA ALA 15 HA ALA 15 -2.612 8.598 8.598 115 1HB ALA 15 3HB ALA 15 -0.518 6.747 6.747 116 2HB ALA 15 2HB ALA 15 -0.979 8.305 8.305 117 3HB ALA 15 1HB ALA 15 -0.262 8.238 8.238 118 H LEU 16 H LEU 16 -3.149 5.242 5.242 119 HA LEU 16 HA LEU 16 -3.944 5.037 5.037 120 1HB LEU 16 2HB LEU 16 -4.921 3.880 3.880 121 2HB LEU 16 1HB LEU 16 -5.937 3.610 3.610 122 HG LEU 16 HG LEU 16 -4.164 1.882 1.882 123 1HD1 LEU 16 3HD1 LEU 16 -5.192 2.620 2.620 124 2HD1 LEU 16 2HD1 LEU 16 -3.545 3.134 3.134 125 3HD1 LEU 16 1HD1 LEU 16 -3.881 1.459 1.459 126 1HD2 LEU 16 2HD2 LEU 16 -2.263 3.281 3.281 127 2HD2 LEU 16 1HD2 LEU 16 -1.833 2.297 2.297 128 3HD2 LEU 16 3HD2 LEU 16 -2.164 3.998 3.998 129 H ILE 17 H ILE 17 -5.829 6.538 6.538 130 HA ILE 17 HA ILE 17 -8.293 6.918 6.918 131 HB ILE 17 HB ILE 17 -7.115 9.152 9.152 132 1HG1 ILE 17 2HG1 ILE 17 -7.924 7.518 7.518 133 2HG1 ILE 17 1HG1 ILE 17 -7.562 6.242 6.242 134 1HG2 ILE 17 3HG2 ILE 17 -9.520 9.116 9.116 135 2HG2 ILE 17 2HG2 ILE 17 -9.776 7.695 7.695 136 3HG2 ILE 17 1HG2 ILE 17 -9.337 9.224 9.224 137 1HD1 ILE 17 2HD1 ILE 17 -5.320 8.064 8.064 138 2HD1 ILE 17 1HD1 ILE 17 -5.723 7.862 7.862 139 3HD1 ILE 17 3HD1 ILE 17 -5.318 6.466 6.466 140 H SER 18 H SER 18 -5.362 8.888 8.888 141 HA SER 18 HA SER 18 -6.850 10.530 10.530 142 1HB SER 18 2HB SER 18 -5.372 11.669 11.669 143 2HB SER 18 1HB SER 18 -3.993 11.042 11.042 144 HG SER 18 HG SER 18 -4.416 12.276 12.276 145 H TRP 19 H TRP 19 -5.489 7.783 7.783 146 HA TRP 19 HA TRP 19 -3.819 8.011 8.011 147 1HB TRP 19 2HB TRP 19 -3.400 6.650 6.650 148 2HB TRP 19 1HB TRP 19 -4.093 5.361 5.361 149 HD1 TRP 19 HD1 TRP 19 -0.902 6.555 6.555 150 HE1 TRP 19 HE1 TRP 19 1.021 5.850 5.850 151 HE3 TRP 19 HE3 TRP 19 -3.595 5.152 5.152 152 HZ2 TRP 19 HZ2 TRP 19 1.352 4.858 4.858 153 HZ3 TRP 19 HZ3 TRP 19 -2.360 4.300 4.300 154 HH2 TRP 19 HH2 TRP 19 0.104 4.158 4.158 155 H ILE 20 H ILE 20 -6.164 5.626 5.626 156 HA ILE 20 HA ILE 20 -7.008 5.111 5.111 157 HB ILE 20 HB ILE 20 -6.936 3.713 3.713 158 1HG1 ILE 20 2HG1 ILE 20 -5.747 3.074 3.074 159 2HG1 ILE 20 1HG1 ILE 20 -6.603 1.786 1.786 160 1HG2 ILE 20 2HG2 ILE 20 -9.507 3.536 3.536 161 2HG2 ILE 20 1HG2 ILE 20 -8.943 2.284 2.284 162 3HG2 ILE 20 3HG2 ILE 20 -9.271 3.904 3.904 163 1HD1 ILE 20 1HD1 ILE 20 -8.027 3.312 3.312 164 2HD1 ILE 20 3HD1 ILE 20 -6.879 2.037 2.037 165 3HD1 ILE 20 2HD1 ILE 20 -8.294 1.676 1.676 166 H LYS 21 H LYS 21 -8.286 6.511 6.511 167 HA LYS 21 HA LYS 21 -10.949 6.767 6.767 168 1HB LYS 21 2HB LYS 21 -9.694 7.269 7.269 169 2HB LYS 21 1HB LYS 21 -10.755 8.595 8.595 170 1HG LYS 21 2HG LYS 21 -12.475 6.753 6.753 171 2HG LYS 21 1HG LYS 21 -11.381 5.612 5.612 172 1HD LYS 21 2HD LYS 21 -11.746 6.476 6.476 173 2HD LYS 21 1HD LYS 21 -12.141 8.079 8.079 174 1HE LYS 21 2HE LYS 21 -14.279 6.890 6.890 175 2HE LYS 21 1HE LYS 21 -13.917 5.605 5.605 176 1HZ LYS 21 3HZ LYS 21 -13.764 8.079 8.079 177 2HZ LYS 21 2HZ LYS 21 -15.211 8.037 8.037 178 3HZ LYS 21 1HZ LYS 21 -14.861 6.818 6.818 179 H ARG 22 H ARG 22 -8.057 8.204 8.204 180 HA ARG 22 HA ARG 22 -9.228 10.866 10.866 181 1HB ARG 22 2HB ARG 22 -6.919 10.810 10.810 182 2HB ARG 22 1HB ARG 22 -6.373 9.641 9.641 183 1HG ARG 22 2HG ARG 22 -6.252 11.200 11.200 184 2HG ARG 22 1HG ARG 22 -7.577 12.158 12.158 185 1HD ARG 22 2HD ARG 22 -4.714 12.140 12.140 186 2HD ARG 22 1HD ARG 22 -5.519 13.480 13.480 187 HE ARG 22 HE ARG 22 -6.258 12.422 12.422 188 1HH1 ARG 22 2HH1 ARG 22 -6.963 14.844 14.844 189 2HH1 ARG 22 1HH1 ARG 22 -7.091 16.124 16.124 190 1HH2 ARG 22 1HH2 ARG 22 -5.989 13.930 13.930 191 2HH2 ARG 22 2HH2 ARG 22 -6.550 15.540 15.540 192 H LYS 23 H LYS 23 -7.123 8.589 8.589 193 HA LYS 23 HA LYS 23 -7.869 8.812 8.812 194 1HB LYS 23 2HB LYS 23 -6.165 7.213 7.213 195 2HB LYS 23 1HB LYS 23 -7.470 6.087 6.087 196 1HG LYS 23 2HG LYS 23 -7.094 7.247 7.247 197 2HG LYS 23 1HG LYS 23 -5.918 6.088 6.088 198 1HD LYS 23 2HD LYS 23 -8.909 5.472 5.472 199 2HD LYS 23 1HD LYS 23 -8.059 5.239 5.239 200 1HE LYS 23 2HE LYS 23 -7.092 4.032 4.032 201 2HE LYS 23 1HE LYS 23 -8.229 3.205 3.205 202 1HZ LYS 23 3HZ LYS 23 -6.072 4.111 4.111 203 2HZ LYS 23 2HZ LYS 23 -5.427 3.299 3.299 204 3HZ LYS 23 1HZ LYS 23 -6.531 2.518 2.518 205 H ARG 24 H ARG 24 -9.485 6.315 6.315 206 HA ARG 24 HA ARG 24 -11.413 5.610 5.610 207 1HB ARG 24 2HB ARG 24 -10.757 4.504 4.504 208 2HB ARG 24 1HB ARG 24 -11.976 5.548 5.548 209 1HG ARG 24 2HG ARG 24 -12.996 4.087 4.087 210 2HG ARG 24 1HG ARG 24 -12.330 2.979 2.979 211 1HD ARG 24 2HD ARG 24 -14.480 3.114 3.114 212 2HD ARG 24 1HD ARG 24 -13.821 4.478 4.478 213 HE ARG 24 HE ARG 24 -14.663 5.831 5.831 214 1HH1 ARG 24 2HH1 ARG 24 -16.003 3.700 3.700 215 2HH1 ARG 24 1HH1 ARG 24 -17.625 3.750 3.750 216 1HH2 ARG 24 1HH2 ARG 24 -16.568 5.695 5.695 217 2HH2 ARG 24 2HH2 ARG 24 -17.984 4.997 4.997 218 H GLN 25 H GLN 25 -11.386 8.399 8.399 219 HA GLN 25 HA GLN 25 -14.265 8.906 8.906 220 1HB GLN 25 2HB GLN 25 -12.416 10.347 10.347 221 2HB GLN 25 1HB GLN 25 -14.167 10.512 10.512 222 1HG GLN 25 2HG GLN 25 -14.327 7.953 7.953 223 2HG GLN 25 1HG GLN 25 -12.611 7.974 7.974 224 1HE2 GLN 25 2HE2 GLN 25 -13.437 10.168 10.168 225 2HE2 GLN 25 1HE2 GLN 25 -12.485 10.377 10.377 226 H GLN 26 H GLN 26 -11.187 10.675 10.675 227 HA GLN 26 HA GLN 26 -12.396 12.467 12.467 228 1HB GLN 26 2HB GLN 26 -10.602 14.095 14.095 229 2HB GLN 26 1HB GLN 26 -11.766 13.708 13.708 230 1HG GLN 26 2HG GLN 26 -10.098 12.112 12.112 231 2HG GLN 26 1HG GLN 26 -8.960 12.472 12.472 232 1HE2 GLN 26 2HE2 GLN 26 -9.771 15.471 15.471 233 2HE2 GLN 26 1HE2 GLN 26 -11.018 14.409 14.409 234 1HN NH2 27 1HT GLN 26 -10.218 9.887 9.887 235 2HN NH2 27 2HT GLN 26 -9.309 10.344 10.344
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