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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
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515541 |
1ghh ![]() ![]() |
cing | recoord | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -12.979 4.597 -1.378 2 2H MET 1 HT2 MET 1 -14.009 4.144 -0.105 3 3H MET 1 HT3 MET 1 -14.394 3.720 -1.705 4 HA MET 1 HA MET 1 -13.547 1.778 -0.643 5 1HB MET 1 HB2 MET 1 -11.553 3.162 -2.467 6 2HB MET 1 HB1 MET 1 -11.408 1.475 -1.985 7 1HG MET 1 HG2 MET 1 -13.354 0.849 -3.147 8 2HG MET 1 HG1 MET 1 -13.949 2.506 -3.233 9 1HE MET 1 HE1 MET 1 -10.170 1.031 -5.406 10 2HE MET 1 HE2 MET 1 -10.889 0.349 -3.950 11 3HE MET 1 HE3 MET 1 -10.086 1.917 -3.877 12 H ARG 2 HN ARG 2 -12.188 0.846 0.881 13 HA ARG 2 HA ARG 2 -10.197 2.637 2.147 14 1HB ARG 2 HB2 ARG 2 -12.089 0.659 3.454 15 2HB ARG 2 HB1 ARG 2 -10.699 1.359 4.285 16 1HG ARG 2 HG2 ARG 2 -11.581 3.623 3.864 17 2HG ARG 2 HG1 ARG 2 -12.974 2.927 3.035 18 1HD ARG 2 HD2 ARG 2 -13.600 1.732 5.109 19 2HD ARG 2 HD1 ARG 2 -12.226 2.462 5.935 20 HE ARG 2 HE ARG 2 -13.747 4.541 4.831 21 1HH1 ARG 2 HH21 ARG 2 -13.050 4.496 7.715 22 2HH1 ARG 2 HH22 ARG 2 -14.585 4.278 8.486 23 1HH2 ARG 2 HH11 ARG 2 -16.175 3.187 5.603 24 2HH2 ARG 2 HH12 ARG 2 -16.355 3.538 7.290 25 H ILE 3 HN ILE 3 -8.207 1.846 2.281 26 HA ILE 3 HA ILE 3 -7.750 -1.014 1.577 27 HB ILE 3 HB ILE 3 -6.095 1.436 0.967 28 1HG1 ILE 3 HG12 ILE 3 -7.511 -0.505 -0.881 29 2HG1 ILE 3 HG11 ILE 3 -8.239 1.006 -0.337 30 1HG2 ILE 3 HG21 ILE 3 -4.796 -0.287 -0.404 31 2HG2 ILE 3 HG22 ILE 3 -5.635 -1.524 0.534 32 3HG2 ILE 3 HG23 ILE 3 -4.574 -0.371 1.344 33 1HD1 ILE 3 HD11 ILE 3 -6.455 2.296 -1.350 34 2HD1 ILE 3 HD12 ILE 3 -7.101 1.190 -2.565 35 3HD1 ILE 3 HD13 ILE 3 -5.574 0.825 -1.758 36 H GLU 4 HN GLU 4 -6.777 -2.169 3.155 37 HA GLU 4 HA GLU 4 -5.094 -0.741 5.149 38 1HB GLU 4 HB2 GLU 4 -6.982 -3.061 5.647 39 2HB GLU 4 HB1 GLU 4 -5.895 -2.356 6.847 40 1HG GLU 4 HG2 GLU 4 -6.992 -0.166 6.558 41 2HG GLU 4 HG1 GLU 4 -8.081 -0.865 5.362 42 H VAL 5 HN VAL 5 -3.116 -1.419 5.407 43 HA VAL 5 HA VAL 5 -2.342 -4.076 4.321 44 HB VAL 5 HB VAL 5 -0.753 -1.496 4.394 45 1HG1 VAL 5 HG11 VAL 5 0.791 -3.293 4.663 46 2HG1 VAL 5 HG12 VAL 5 0.836 -2.881 2.949 47 3HG1 VAL 5 HG13 VAL 5 -0.062 -4.299 3.491 48 1HG2 VAL 5 HG21 VAL 5 -2.703 -1.911 2.651 49 2HG2 VAL 5 HG22 VAL 5 -1.527 -2.980 1.893 50 3HG2 VAL 5 HG23 VAL 5 -1.154 -1.274 2.100 51 H THR 6 HN THR 6 -1.314 -5.441 5.625 52 HA THR 6 HA THR 6 -0.293 -4.450 8.238 53 HB THR 6 HB THR 6 -0.959 -6.559 9.217 54 HG1 THR 6 HG1 THR 6 -2.220 -7.313 6.833 55 1HG2 THR 6 HG21 THR 6 -3.233 -5.484 7.522 56 2HG2 THR 6 HG22 THR 6 -2.680 -4.762 9.033 57 3HG2 THR 6 HG23 THR 6 -3.386 -6.378 9.034 58 H ILE 7 HN ILE 7 1.697 -4.930 8.718 59 HA ILE 7 HA ILE 7 3.226 -6.778 6.981 60 HB ILE 7 HB ILE 7 3.876 -4.166 8.327 61 1HG1 ILE 7 HG12 ILE 7 4.386 -5.136 5.498 62 2HG1 ILE 7 HG11 ILE 7 2.919 -4.288 5.985 63 1HG2 ILE 7 HG21 ILE 7 5.753 -6.367 7.431 64 2HG2 ILE 7 HG22 ILE 7 5.799 -5.417 8.915 65 3HG2 ILE 7 HG23 ILE 7 6.266 -4.678 7.384 66 1HD1 ILE 7 HD11 ILE 7 5.662 -3.142 6.517 67 2HD1 ILE 7 HD12 ILE 7 4.110 -2.306 6.519 68 3HD1 ILE 7 HD13 ILE 7 4.814 -2.854 4.998 69 H ALA 8 HN ALA 8 4.252 -8.453 7.975 70 HA ALA 8 HA ALA 8 3.708 -9.074 10.675 71 1HB ALA 8 HB1 ALA 8 4.216 -10.751 8.914 72 2HB ALA 8 HB2 ALA 8 5.227 -10.947 10.346 73 3HB ALA 8 HB3 ALA 8 5.887 -10.186 8.897 74 H LYS 9 HN LYS 9 4.664 -8.602 12.405 75 HA LYS 9 HA LYS 9 6.607 -6.617 12.659 76 1HB LYS 9 HB2 LYS 9 5.011 -7.151 14.473 77 2HB LYS 9 HB1 LYS 9 5.784 -8.712 14.699 78 1HG LYS 9 HG2 LYS 9 7.892 -7.585 15.357 79 2HG LYS 9 HG1 LYS 9 7.124 -6.010 15.138 80 1HD LYS 9 HD2 LYS 9 5.550 -6.444 16.901 81 2HD LYS 9 HD1 LYS 9 6.063 -8.127 17.018 82 1HE LYS 9 HE2 LYS 9 7.090 -6.835 18.821 83 2HE LYS 9 HE1 LYS 9 8.335 -7.358 17.687 84 1HZ LYS 9 HZ1 LYS 9 7.634 -4.740 18.436 85 2HZ LYS 9 HZ2 LYS 9 7.339 -4.926 16.773 86 3HZ LYS 9 HZ3 LYS 9 8.882 -5.247 17.406 87 H THR 10 HN THR 10 6.985 -10.017 12.172 88 HA THR 10 HA THR 10 9.594 -10.368 13.207 89 HB THR 10 HB THR 10 9.679 -12.239 11.493 90 HG1 THR 10 HG1 THR 10 8.210 -12.277 10.015 91 1HG2 THR 10 HG21 THR 10 8.151 -13.616 12.706 92 2HG2 THR 10 HG22 THR 10 7.134 -12.240 13.129 93 3HG2 THR 10 HG23 THR 10 8.729 -12.416 13.860 94 H SER 11 HN SER 11 8.434 -8.450 10.665 95 HA SER 11 HA SER 11 11.147 -8.269 9.452 96 1HB SER 11 HB2 SER 11 8.482 -7.801 8.098 97 2HB SER 11 HB1 SER 11 10.071 -7.685 7.347 98 HG SER 11 HG SER 11 8.696 -9.951 8.316 99 HA PRO 12 HA PRO 12 10.007 -4.092 11.176 100 1HB PRO 12 HB2 PRO 12 12.668 -3.900 12.284 101 2HB PRO 12 HB1 PRO 12 11.142 -4.067 13.171 102 1HG PRO 12 HG2 PRO 12 13.131 -5.994 13.056 103 2HG PRO 12 HG1 PRO 12 11.439 -6.299 13.484 104 1HD PRO 12 HD2 PRO 12 12.848 -6.806 10.887 105 2HD PRO 12 HD1 PRO 12 11.537 -7.715 11.660 106 H LEU 13 HN LEU 13 10.122 -2.303 10.184 107 HA LEU 13 HA LEU 13 12.238 -1.968 8.142 108 1HB LEU 13 HB2 LEU 13 9.620 -0.463 8.356 109 2HB LEU 13 HB1 LEU 13 10.701 -0.557 6.969 110 HG LEU 13 HG LEU 13 9.049 -2.818 8.129 111 1HD1 LEU 13 HD11 LEU 13 7.909 -2.791 5.994 112 2HD1 LEU 13 HD12 LEU 13 9.023 -1.586 5.355 113 3HD1 LEU 13 HD13 LEU 13 7.888 -1.148 6.634 114 1HD2 LEU 13 HD21 LEU 13 10.011 -4.044 6.061 115 2HD2 LEU 13 HD22 LEU 13 11.073 -3.863 7.453 116 3HD2 LEU 13 HD23 LEU 13 11.258 -2.799 6.060 117 HA PRO 14 HA PRO 14 14.153 1.130 10.565 118 1HB PRO 14 HB2 PRO 14 14.306 3.218 8.546 119 2HB PRO 14 HB1 PRO 14 15.595 2.130 9.084 120 1HG PRO 14 HG2 PRO 14 13.950 1.989 6.673 121 2HG PRO 14 HG1 PRO 14 15.456 1.142 7.049 122 1HD PRO 14 HD2 PRO 14 12.954 -0.070 6.926 123 2HD PRO 14 HD1 PRO 14 14.347 -0.735 7.800 124 H ALA 15 HN ALA 15 13.780 2.938 11.723 125 HA ALA 15 HA ALA 15 11.175 3.586 12.418 126 1HB ALA 15 HB1 ALA 15 13.639 5.268 12.849 127 2HB ALA 15 HB2 ALA 15 13.173 3.879 13.832 128 3HB ALA 15 HB3 ALA 15 12.150 5.317 13.795 129 H GLY 16 HN GLY 16 11.036 4.022 9.662 130 1HA GLY 16 HA2 GLY 16 9.942 6.650 9.539 131 2HA GLY 16 HA1 GLY 16 11.484 6.627 8.733 132 H ALA 17 HN ALA 17 10.926 3.686 8.147 133 HA ALA 17 HA ALA 17 10.056 4.120 5.471 134 1HB ALA 17 HB1 ALA 17 10.868 1.734 7.077 135 2HB ALA 17 HB2 ALA 17 11.628 2.412 5.642 136 3HB ALA 17 HB3 ALA 17 10.126 1.499 5.493 137 H ILE 18 HN ILE 18 8.270 2.776 8.211 138 HA ILE 18 HA ILE 18 6.134 1.796 6.680 139 HB ILE 18 HB ILE 18 6.262 2.920 9.483 140 1HG1 ILE 18 HG12 ILE 18 7.420 0.685 8.684 141 2HG1 ILE 18 HG11 ILE 18 6.521 0.710 10.194 142 1HG2 ILE 18 HG21 ILE 18 3.987 3.212 8.949 143 2HG2 ILE 18 HG22 ILE 18 4.030 1.626 9.720 144 3HG2 ILE 18 HG23 ILE 18 3.935 1.750 7.963 145 1HD1 ILE 18 HD11 ILE 18 4.726 -0.488 9.306 146 2HD1 ILE 18 HD12 ILE 18 6.096 -1.224 8.476 147 3HD1 ILE 18 HD13 ILE 18 5.104 -0.028 7.648 148 H ASP 19 HN ASP 19 6.615 4.967 8.229 149 HA ASP 19 HA ASP 19 4.217 6.128 7.230 150 1HB ASP 19 HB2 ASP 19 6.826 7.391 8.130 151 2HB ASP 19 HB1 ASP 19 5.401 8.323 7.676 152 H ALA 20 HN ALA 20 7.468 5.861 5.848 153 HA ALA 20 HA ALA 20 6.869 7.553 3.675 154 1HB ALA 20 HB1 ALA 20 8.938 6.943 2.774 155 2HB ALA 20 HB2 ALA 20 8.847 5.302 3.418 156 3HB ALA 20 HB3 ALA 20 9.182 6.654 4.496 157 H LEU 21 HN LEU 21 6.556 4.071 4.142 158 HA LEU 21 HA LEU 21 5.852 3.346 1.547 159 1HB LEU 21 HB2 LEU 21 6.550 1.692 3.137 160 2HB LEU 21 HB1 LEU 21 5.289 2.159 4.268 161 HG LEU 21 HG LEU 21 3.587 1.341 2.696 162 1HD1 LEU 21 HD11 LEU 21 4.676 1.627 0.558 163 2HD1 LEU 21 HD12 LEU 21 4.406 -0.098 0.776 164 3HD1 LEU 21 HD13 LEU 21 6.008 0.582 1.046 165 1HD2 LEU 21 HD21 LEU 21 5.788 -0.633 3.354 166 2HD2 LEU 21 HD22 LEU 21 4.144 -1.084 2.901 167 3HD2 LEU 21 HD23 LEU 21 4.434 -0.191 4.393 168 H ALA 22 HN ALA 22 3.827 4.176 4.332 169 HA ALA 22 HA ALA 22 1.303 3.879 3.053 170 1HB ALA 22 HB1 ALA 22 1.346 4.011 5.449 171 2HB ALA 22 HB2 ALA 22 0.523 5.458 4.868 172 3HB ALA 22 HB3 ALA 22 2.200 5.554 5.407 173 H GLY 23 HN GLY 23 3.499 6.667 3.224 174 1HA GLY 23 HA2 GLY 23 1.688 8.475 1.925 175 2HA GLY 23 HA1 GLY 23 3.449 8.640 2.118 176 H GLU 24 HN GLU 24 4.323 6.383 0.659 177 HA GLU 24 HA GLU 24 3.985 7.355 -1.975 178 1HB GLU 24 HB2 GLU 24 6.020 6.129 -1.156 179 2HB GLU 24 HB1 GLU 24 5.075 4.641 -1.160 180 1HG GLU 24 HG2 GLU 24 6.295 4.768 -3.252 181 2HG GLU 24 HG1 GLU 24 4.588 5.032 -3.598 182 H LEU 25 HN LEU 25 2.555 4.598 -0.267 183 HA LEU 25 HA LEU 25 1.238 3.516 -2.508 184 1HB LEU 25 HB2 LEU 25 0.578 3.373 0.433 185 2HB LEU 25 HB1 LEU 25 -0.335 2.497 -0.790 186 HG LEU 25 HG LEU 25 2.661 2.243 -0.405 187 1HD1 LEU 25 HD11 LEU 25 2.074 0.029 0.626 188 2HD1 LEU 25 HD12 LEU 25 0.378 0.512 0.596 189 3HD1 LEU 25 HD13 LEU 25 1.531 1.406 1.582 190 1HD2 LEU 25 HD21 LEU 25 1.998 -0.016 -1.658 191 2HD2 LEU 25 HD22 LEU 25 2.280 1.456 -2.574 192 3HD2 LEU 25 HD23 LEU 25 0.631 0.946 -2.216 193 H SER 26 HN SER 26 0.178 5.939 -0.157 194 HA SER 26 HA SER 26 -2.485 6.138 -1.046 195 1HB SER 26 HB2 SER 26 -2.512 8.321 0.047 196 2HB SER 26 HB1 SER 26 -1.677 7.145 1.056 197 HG SER 26 HG SER 26 -0.140 8.585 1.006 198 H ARG 27 HN ARG 27 0.428 7.958 -2.084 199 HA ARG 27 HA ARG 27 -0.922 9.653 -3.900 200 1HB ARG 27 HB2 ARG 27 1.927 8.618 -3.882 201 2HB ARG 27 HB1 ARG 27 1.335 9.828 -5.022 202 1HG ARG 27 HG2 ARG 27 0.672 11.283 -3.142 203 2HG ARG 27 HG1 ARG 27 1.267 10.077 -2.002 204 1HD ARG 27 HD2 ARG 27 2.944 11.518 -4.075 205 2HD ARG 27 HD1 ARG 27 2.929 11.860 -2.349 206 HE ARG 27 HE ARG 27 3.552 9.113 -2.872 207 1HH1 ARG 27 HH11 ARG 27 4.795 11.229 -0.922 208 2HH1 ARG 27 HH12 ARG 27 6.431 11.241 -1.491 209 1HH2 ARG 27 HH21 ARG 27 5.690 9.612 -4.461 210 2HH2 ARG 27 HH22 ARG 27 6.937 10.326 -3.494 211 H ARG 28 HN ARG 28 0.464 6.416 -4.315 212 HA ARG 28 HA ARG 28 0.031 6.210 -7.100 213 1HB ARG 28 HB2 ARG 28 0.143 4.064 -4.970 214 2HB ARG 28 HB1 ARG 28 0.187 3.762 -6.703 215 1HG ARG 28 HG2 ARG 28 2.169 5.636 -5.413 216 2HG ARG 28 HG1 ARG 28 2.449 3.897 -5.431 217 1HD ARG 28 HD2 ARG 28 2.137 3.959 -7.942 218 2HD ARG 28 HD1 ARG 28 2.115 5.714 -7.835 219 HE ARG 28 HE ARG 28 4.425 5.030 -6.556 220 1HH1 ARG 28 HH11 ARG 28 3.890 2.728 -8.708 221 2HH1 ARG 28 HH12 ARG 28 5.005 3.237 -9.932 222 1HH2 ARG 28 HH21 ARG 28 5.502 6.377 -8.549 223 2HH2 ARG 28 HH22 ARG 28 5.919 5.302 -9.841 224 H ILE 29 HN ILE 29 -2.004 5.441 -4.326 225 HA ILE 29 HA ILE 29 -4.098 4.192 -5.780 226 HB ILE 29 HB ILE 29 -4.032 5.516 -3.069 227 1HG1 ILE 29 HG12 ILE 29 -2.753 3.427 -3.235 228 2HG1 ILE 29 HG11 ILE 29 -4.192 3.170 -2.265 229 1HG2 ILE 29 HG21 ILE 29 -6.236 4.230 -2.746 230 2HG2 ILE 29 HG22 ILE 29 -6.307 4.150 -4.506 231 3HG2 ILE 29 HG23 ILE 29 -6.306 5.715 -3.695 232 1HD1 ILE 29 HD11 ILE 29 -3.500 2.111 -4.972 233 2HD1 ILE 29 HD12 ILE 29 -5.200 2.443 -4.645 234 3HD1 ILE 29 HD13 ILE 29 -4.309 1.314 -3.631 235 H GLN 30 HN GLN 30 -3.682 7.517 -4.679 236 HA GLN 30 HA GLN 30 -6.200 8.474 -5.626 237 1HB GLN 30 HB2 GLN 30 -4.896 9.807 -4.051 238 2HB GLN 30 HB1 GLN 30 -3.568 9.923 -5.205 239 1HG GLN 30 HG2 GLN 30 -4.907 11.234 -6.728 240 2HG GLN 30 HG1 GLN 30 -6.364 10.948 -5.778 241 1HE2 GLN 30 HE21 GLN 30 -4.003 11.326 -3.495 242 2HE2 GLN 30 HE22 GLN 30 -4.112 13.002 -3.248 243 H TYR 31 HN TYR 31 -3.032 8.208 -7.276 244 HA TYR 31 HA TYR 31 -3.953 9.548 -9.584 245 1HB TYR 31 HB2 TYR 31 -1.549 9.246 -9.139 246 2HB TYR 31 HB1 TYR 31 -1.736 7.497 -9.289 247 HD1 TYR 31 HD1 TYR 31 -2.148 6.446 -11.444 248 HD2 TYR 31 HD2 TYR 31 -1.696 10.703 -11.103 249 HE1 TYR 31 HE1 TYR 31 -1.887 6.613 -13.903 250 HE2 TYR 31 HE2 TYR 31 -1.434 10.872 -13.564 251 HH TYR 31 HH TYR 31 -0.772 8.280 -15.523 252 H ALA 32 HN ALA 32 -3.961 6.141 -8.631 253 HA ALA 32 HA ALA 32 -4.905 5.175 -11.138 254 1HB ALA 32 HB1 ALA 32 -5.443 3.105 -9.815 255 2HB ALA 32 HB2 ALA 32 -4.904 3.969 -8.375 256 3HB ALA 32 HB3 ALA 32 -3.773 3.656 -9.691 257 H PHE 33 HN PHE 33 -6.483 6.179 -8.155 258 HA PHE 33 HA PHE 33 -9.155 5.786 -9.412 259 1HB PHE 33 HB2 PHE 33 -8.359 5.668 -6.499 260 2HB PHE 33 HB1 PHE 33 -10.008 5.540 -7.112 261 HD1 PHE 33 HD1 PHE 33 -6.724 3.891 -6.901 262 HD2 PHE 33 HD2 PHE 33 -10.752 3.575 -8.360 263 HE1 PHE 33 HE1 PHE 33 -6.373 1.478 -7.349 264 HE2 PHE 33 HE2 PHE 33 -10.401 1.160 -8.805 265 HZ PHE 33 HZ PHE 33 -8.211 0.112 -8.300 266 HA PRO 34 HA PRO 34 -8.645 10.317 -8.734 267 1HB PRO 34 HB2 PRO 34 -10.243 10.769 -11.115 268 2HB PRO 34 HB1 PRO 34 -8.530 11.124 -10.848 269 1HG PRO 34 HG2 PRO 34 -9.538 9.146 -12.528 270 2HG PRO 34 HG1 PRO 34 -7.874 9.253 -11.934 271 1HD PRO 34 HD2 PRO 34 -10.069 7.449 -11.047 272 2HD PRO 34 HD1 PRO 34 -8.308 7.222 -10.972 273 H ASP 35 HN ASP 35 -11.510 8.471 -9.550 274 HA ASP 35 HA ASP 35 -13.343 10.518 -8.574 275 1HB ASP 35 HB2 ASP 35 -13.751 9.197 -10.655 276 2HB ASP 35 HB1 ASP 35 -14.018 7.783 -9.636 277 H ASN 36 HN ASN 36 -11.738 7.867 -7.038 278 HA ASN 36 HA ASN 36 -13.959 7.697 -5.059 279 1HB ASN 36 HB2 ASN 36 -12.042 5.584 -5.999 280 2HB ASN 36 HB1 ASN 36 -13.047 5.411 -4.564 281 1HD2 ASN 36 HD21 ASN 36 -13.328 3.737 -6.918 282 2HD2 ASN 36 HD22 ASN 36 -14.861 4.046 -7.579 283 H GLU 37 HN GLU 37 -13.355 8.312 -2.889 284 HA GLU 37 HA GLU 37 -10.815 9.261 -2.227 285 1HB GLU 37 HB2 GLU 37 -13.039 9.683 -1.144 286 2HB GLU 37 HB1 GLU 37 -12.899 8.091 -0.401 287 1HG GLU 37 HG2 GLU 37 -12.036 9.682 1.184 288 2HG GLU 37 HG1 GLU 37 -10.647 8.829 0.510 289 H GLY 38 HN GLY 38 -8.997 8.042 -1.839 290 1HA GLY 38 HA2 GLY 38 -9.295 5.159 -1.092 291 2HA GLY 38 HA1 GLY 38 -7.953 5.706 -1.849 292 H HIS 39 HN HIS 39 -8.789 4.720 1.171 293 HA HIS 39 HA HIS 39 -6.924 6.619 2.456 294 1HB HIS 39 HB2 HIS 39 -9.181 4.959 3.614 295 2HB HIS 39 HB1 HIS 39 -8.004 5.826 4.600 296 HD1 HIS 39 HD1 HIS 39 -7.780 8.510 3.751 297 HD2 HIS 39 HD2 HIS 39 -11.388 6.523 3.109 298 HE1 HIS 39 HE1 HIS 39 -9.535 10.304 3.418 299 H VAL 40 HN VAL 40 -4.970 5.672 2.969 300 HA VAL 40 HA VAL 40 -4.838 2.739 3.020 301 HB VAL 40 HB VAL 40 -2.734 4.770 2.295 302 1HG1 VAL 40 HG11 VAL 40 -1.555 2.928 3.161 303 2HG1 VAL 40 HG12 VAL 40 -1.647 2.562 1.439 304 3HG1 VAL 40 HG13 VAL 40 -2.741 1.765 2.568 305 1HG2 VAL 40 HG21 VAL 40 -4.688 4.435 0.693 306 2HG2 VAL 40 HG22 VAL 40 -4.190 2.747 0.564 307 3HG2 VAL 40 HG23 VAL 40 -3.106 4.027 0.024 308 H SER 41 HN SER 41 -4.173 1.792 4.810 309 HA SER 41 HA SER 41 -2.695 3.361 6.854 310 1HB SER 41 HB2 SER 41 -4.920 1.366 7.361 311 2HB SER 41 HB1 SER 41 -3.883 2.039 8.616 312 HG SER 41 HG SER 41 -5.413 3.596 6.799 313 H VAL 42 HN VAL 42 -1.024 2.376 7.865 314 HA VAL 42 HA VAL 42 -0.462 -0.439 7.148 315 HB VAL 42 HB VAL 42 1.566 1.828 7.173 316 1HG1 VAL 42 HG11 VAL 42 1.848 -1.138 6.619 317 2HG1 VAL 42 HG12 VAL 42 2.568 -0.236 7.954 318 3HG1 VAL 42 HG13 VAL 42 3.107 0.055 6.302 319 1HG2 VAL 42 HG21 VAL 42 0.856 0.145 4.770 320 2HG2 VAL 42 HG22 VAL 42 1.629 1.729 4.825 321 3HG2 VAL 42 HG23 VAL 42 -0.093 1.578 5.166 322 H ARG 43 HN ARG 43 -0.022 -1.675 8.820 323 HA ARG 43 HA ARG 43 1.158 -0.507 11.219 324 1HB ARG 43 HB2 ARG 43 -0.624 -1.430 12.680 325 2HB ARG 43 HB1 ARG 43 -1.238 -0.199 11.576 326 1HG ARG 43 HG2 ARG 43 -1.985 -1.995 10.025 327 2HG ARG 43 HG1 ARG 43 -1.440 -3.201 11.191 328 1HD ARG 43 HD2 ARG 43 -3.859 -2.787 11.422 329 2HD ARG 43 HD1 ARG 43 -2.991 -2.286 12.872 330 HE ARG 43 HE ARG 43 -3.302 -0.136 10.990 331 1HH1 ARG 43 HH11 ARG 43 -5.665 -2.025 12.426 332 2HH1 ARG 43 HH12 ARG 43 -6.403 -0.749 13.335 333 1HH2 ARG 43 HH21 ARG 43 -3.907 1.553 12.626 334 2HH2 ARG 43 HH22 ARG 43 -5.406 1.278 13.449 335 H TYR 44 HN TYR 44 1.825 -2.159 12.794 336 HA TYR 44 HA TYR 44 2.746 -4.592 11.453 337 1HB TYR 44 HB2 TYR 44 3.197 -3.504 14.248 338 2HB TYR 44 HB1 TYR 44 3.863 -5.022 13.663 339 HD1 TYR 44 HD1 TYR 44 5.110 -4.822 11.287 340 HD2 TYR 44 HD2 TYR 44 4.549 -1.605 14.082 341 HE1 TYR 44 HE1 TYR 44 7.038 -3.618 10.293 342 HE2 TYR 44 HE2 TYR 44 6.470 -0.404 13.088 343 HH TYR 44 HH TYR 44 7.878 -1.324 10.116 344 H ALA 45 HN ALA 45 2.035 -6.592 11.767 345 HA ALA 45 HA ALA 45 0.023 -7.124 13.845 346 1HB ALA 45 HB1 ALA 45 -0.378 -8.020 10.986 347 2HB ALA 45 HB2 ALA 45 -1.100 -6.539 11.618 348 3HB ALA 45 HB3 ALA 45 -1.525 -8.099 12.323 349 H ALA 46 HN ALA 46 -0.364 -9.576 13.950 350 HA ALA 46 HA ALA 46 2.146 -10.836 14.220 351 1HB ALA 46 HB1 ALA 46 0.057 -11.499 15.472 352 2HB ALA 46 HB2 ALA 46 0.929 -12.856 14.758 353 3HB ALA 46 HB3 ALA 46 -0.530 -12.239 13.982 354 H ALA 47 HN ALA 47 -0.037 -10.610 11.478 355 HA ALA 47 HA ALA 47 1.966 -12.121 9.916 356 1HB ALA 47 HB1 ALA 47 -1.008 -12.639 9.990 357 2HB ALA 47 HB2 ALA 47 0.297 -13.768 10.356 358 3HB ALA 47 HB3 ALA 47 0.040 -13.225 8.698 359 H ASN 48 HN ASN 48 2.044 -11.704 7.685 360 HA ASN 48 HA ASN 48 1.364 -9.009 6.900 361 1HB ASN 48 HB2 ASN 48 3.365 -10.284 6.044 362 2HB ASN 48 HB1 ASN 48 2.251 -11.305 5.136 363 1HD2 ASN 48 HD21 ASN 48 2.239 -10.619 2.991 364 2HD2 ASN 48 HD22 ASN 48 2.224 -8.998 2.489 365 H ASN 49 HN ASN 49 -0.554 -8.370 6.040 366 HA ASN 49 HA ASN 49 -2.170 -10.231 4.468 367 1HB ASN 49 HB2 ASN 49 -3.249 -8.901 6.966 368 2HB ASN 49 HB1 ASN 49 -4.194 -9.815 5.797 369 1HD2 ASN 49 HD21 ASN 49 -2.758 -12.090 5.324 370 2HD2 ASN 49 HD22 ASN 49 -2.460 -12.938 6.764 371 H LEU 50 HN LEU 50 -3.668 -9.172 3.117 372 HA LEU 50 HA LEU 50 -3.573 -6.208 3.078 373 1HB LEU 50 HB2 LEU 50 -2.226 -7.196 1.207 374 2HB LEU 50 HB1 LEU 50 -3.639 -8.115 0.706 375 HG LEU 50 HG LEU 50 -4.850 -5.842 0.492 376 1HD1 LEU 50 HD11 LEU 50 -3.367 -4.394 1.690 377 2HD1 LEU 50 HD12 LEU 50 -3.255 -3.949 -0.010 378 3HD1 LEU 50 HD13 LEU 50 -1.984 -4.919 0.729 379 1HD2 LEU 50 HD21 LEU 50 -3.890 -5.425 -1.745 380 2HD2 LEU 50 HD22 LEU 50 -4.106 -7.151 -1.467 381 3HD2 LEU 50 HD23 LEU 50 -2.501 -6.430 -1.338 382 H SER 51 HN SER 51 -5.644 -5.424 3.420 383 HA SER 51 HA SER 51 -7.917 -7.154 2.608 384 1HB SER 51 HB2 SER 51 -7.642 -7.011 5.065 385 2HB SER 51 HB1 SER 51 -7.744 -5.256 4.960 386 HG SER 51 HG SER 51 -9.714 -7.175 4.263 387 H VAL 52 HN VAL 52 -9.325 -6.183 1.208 388 HA VAL 52 HA VAL 52 -9.270 -3.237 0.966 389 HB VAL 52 HB VAL 52 -9.657 -5.261 -1.261 390 1HG1 VAL 52 HG11 VAL 52 -11.001 -3.241 -1.616 391 2HG1 VAL 52 HG12 VAL 52 -9.632 -3.250 -2.724 392 3HG1 VAL 52 HG13 VAL 52 -9.595 -2.228 -1.288 393 1HG2 VAL 52 HG21 VAL 52 -7.322 -5.141 -0.613 394 2HG2 VAL 52 HG22 VAL 52 -7.379 -3.379 -0.584 395 3HG2 VAL 52 HG23 VAL 52 -7.523 -4.240 -2.116 396 H ILE 53 HN ILE 53 -11.221 -2.313 1.373 397 HA ILE 53 HA ILE 53 -13.650 -4.003 1.142 398 HB ILE 53 HB ILE 53 -13.030 -1.786 3.105 399 1HG1 ILE 53 HG12 ILE 53 -12.034 -4.257 3.324 400 2HG1 ILE 53 HG11 ILE 53 -12.653 -3.403 4.731 401 1HG2 ILE 53 HG21 ILE 53 -15.348 -1.650 2.630 402 2HG2 ILE 53 HG22 ILE 53 -15.239 -2.588 4.120 403 3HG2 ILE 53 HG23 ILE 53 -15.525 -3.405 2.583 404 1HD1 ILE 53 HD11 ILE 53 -14.602 -4.687 4.825 405 2HD1 ILE 53 HD12 ILE 53 -13.418 -5.873 4.282 406 3HD1 ILE 53 HD13 ILE 53 -14.519 -5.136 3.123 407 H GLY 54 HN GLY 54 -15.213 -3.267 -0.170 408 1HA GLY 54 HA2 GLY 54 -16.634 -1.638 -1.118 409 2HA GLY 54 HA1 GLY 54 -15.460 -0.396 -0.690 410 H ALA 55 HN ALA 55 -14.097 -3.151 -2.259 411 HA ALA 55 HA ALA 55 -14.039 -1.647 -4.825 412 1HB ALA 55 HB1 ALA 55 -11.762 -2.096 -5.102 413 2HB ALA 55 HB2 ALA 55 -11.775 -3.412 -3.929 414 3HB ALA 55 HB3 ALA 55 -11.883 -1.741 -3.379 415 H THR 56 HN THR 56 -13.548 -2.881 -6.712 416 HA THR 56 HA THR 56 -14.991 -5.458 -6.936 417 HB THR 56 HB THR 56 -14.840 -4.980 -9.289 418 HG1 THR 56 HG1 THR 56 -12.740 -3.871 -8.979 419 1HG2 THR 56 HG21 THR 56 -15.605 -2.414 -7.881 420 2HG2 THR 56 HG22 THR 56 -16.605 -3.866 -7.843 421 3HG2 THR 56 HG23 THR 56 -16.276 -3.063 -9.378 422 H LYS 57 HN LYS 57 -14.053 -7.156 -8.068 423 HA LYS 57 HA LYS 57 -11.557 -7.936 -7.150 424 1HB LYS 57 HB2 LYS 57 -13.035 -8.927 -9.607 425 2HB LYS 57 HB1 LYS 57 -11.719 -9.772 -8.801 426 1HG LYS 57 HG2 LYS 57 -13.091 -9.939 -6.733 427 2HG LYS 57 HG1 LYS 57 -14.404 -9.086 -7.548 428 1HD LYS 57 HD2 LYS 57 -14.530 -10.887 -9.225 429 2HD LYS 57 HD1 LYS 57 -13.212 -11.735 -8.414 430 1HE LYS 57 HE2 LYS 57 -15.451 -12.612 -7.754 431 2HE LYS 57 HE1 LYS 57 -14.554 -11.956 -6.384 432 1HZ LYS 57 HZ1 LYS 57 -15.787 -9.918 -6.552 433 2HZ LYS 57 HZ2 LYS 57 -16.879 -11.215 -6.446 434 3HZ LYS 57 HZ3 LYS 57 -16.593 -10.462 -7.942 435 H GLU 58 HN GLU 58 -12.336 -6.383 -10.319 436 HA GLU 58 HA GLU 58 -9.712 -6.720 -11.360 437 1HB GLU 58 HB2 GLU 58 -12.025 -4.896 -12.023 438 2HB GLU 58 HB1 GLU 58 -10.481 -4.758 -12.858 439 1HG GLU 58 HG2 GLU 58 -12.137 -7.304 -12.712 440 2HG GLU 58 HG1 GLU 58 -12.114 -6.196 -14.079 441 H ASP 59 HN ASP 59 -11.258 -4.163 -9.435 442 HA ASP 59 HA ASP 59 -9.157 -2.282 -9.633 443 1HB ASP 59 HB2 ASP 59 -11.244 -2.746 -7.491 444 2HB ASP 59 HB1 ASP 59 -10.105 -1.402 -7.451 445 H LYS 60 HN LYS 60 -9.902 -4.871 -7.388 446 HA LYS 60 HA LYS 60 -7.708 -4.464 -5.637 447 1HB LYS 60 HB2 LYS 60 -9.679 -5.838 -5.020 448 2HB LYS 60 HB1 LYS 60 -9.212 -7.032 -6.229 449 1HG LYS 60 HG2 LYS 60 -7.076 -7.408 -5.038 450 2HG LYS 60 HG1 LYS 60 -7.546 -6.212 -3.829 451 1HD LYS 60 HD2 LYS 60 -9.413 -7.557 -3.117 452 2HD LYS 60 HD1 LYS 60 -9.189 -8.674 -4.464 453 1HE LYS 60 HE2 LYS 60 -7.096 -9.458 -3.568 454 2HE LYS 60 HE1 LYS 60 -7.089 -8.197 -2.334 455 1HZ LYS 60 HZ1 LYS 60 -7.849 -10.160 -1.301 456 2HZ LYS 60 HZ2 LYS 60 -8.937 -10.503 -2.560 457 3HZ LYS 60 HZ3 LYS 60 -9.221 -9.189 -1.522 458 H GLN 61 HN GLN 61 -7.899 -6.453 -8.621 459 HA GLN 61 HA GLN 61 -5.313 -7.592 -8.233 460 1HB GLN 61 HB2 GLN 61 -6.942 -7.064 -10.736 461 2HB GLN 61 HB1 GLN 61 -5.395 -7.912 -10.744 462 1HG GLN 61 HG2 GLN 61 -6.264 -9.666 -9.340 463 2HG GLN 61 HG1 GLN 61 -7.754 -8.769 -9.051 464 1HE2 GLN 61 HE21 GLN 61 -7.769 -11.418 -10.189 465 2HE2 GLN 61 HE22 GLN 61 -8.328 -11.295 -11.787 466 H ARG 62 HN ARG 62 -6.477 -4.621 -9.874 467 HA ARG 62 HA ARG 62 -3.972 -3.853 -10.862 468 1HB ARG 62 HB2 ARG 62 -6.063 -2.795 -11.621 469 2HB ARG 62 HB1 ARG 62 -6.300 -2.099 -10.021 470 1HG ARG 62 HG2 ARG 62 -5.343 -0.437 -11.565 471 2HG ARG 62 HG1 ARG 62 -4.211 -0.808 -10.270 472 1HD ARG 62 HD2 ARG 62 -2.821 -2.087 -11.694 473 2HD ARG 62 HD1 ARG 62 -4.083 -2.263 -12.913 474 HE ARG 62 HE ARG 62 -3.471 -0.179 -13.758 475 1HH1 ARG 62 HH11 ARG 62 -0.811 -1.024 -12.239 476 2HH1 ARG 62 HH12 ARG 62 -0.362 0.517 -11.587 477 1HH2 ARG 62 HH21 ARG 62 -3.442 1.980 -12.217 478 2HH2 ARG 62 HH22 ARG 62 -1.852 2.216 -11.575 479 H ILE 63 HN ILE 63 -5.577 -3.159 -7.786 480 HA ILE 63 HA ILE 63 -3.520 -1.523 -6.772 481 HB ILE 63 HB ILE 63 -5.560 -3.199 -5.338 482 1HG1 ILE 63 HG12 ILE 63 -5.335 -0.191 -5.553 483 2HG1 ILE 63 HG11 ILE 63 -6.256 -1.159 -6.703 484 1HG2 ILE 63 HG21 ILE 63 -3.391 -1.407 -4.257 485 2HG2 ILE 63 HG22 ILE 63 -3.856 -3.019 -3.717 486 3HG2 ILE 63 HG23 ILE 63 -4.893 -1.640 -3.361 487 1HD1 ILE 63 HD11 ILE 63 -6.716 -1.017 -3.708 488 2HD1 ILE 63 HD12 ILE 63 -7.590 -2.082 -4.809 489 3HD1 ILE 63 HD13 ILE 63 -7.754 -0.332 -4.958 490 H SER 64 HN SER 64 -3.921 -5.033 -6.564 491 HA SER 64 HA SER 64 -1.625 -5.451 -4.937 492 1HB SER 64 HB2 SER 64 -2.812 -7.252 -7.071 493 2HB SER 64 HB1 SER 64 -1.578 -7.742 -5.913 494 HG SER 64 HG SER 64 -3.024 -7.437 -4.266 495 H GLU 65 HN GLU 65 -2.045 -5.098 -8.510 496 HA GLU 65 HA GLU 65 0.652 -5.605 -9.158 497 1HB GLU 65 HB2 GLU 65 -1.479 -3.974 -10.563 498 2HB GLU 65 HB1 GLU 65 0.118 -4.278 -11.250 499 1HG GLU 65 HG2 GLU 65 -0.263 -6.691 -11.147 500 2HG GLU 65 HG1 GLU 65 -1.831 -6.432 -10.384 501 H ILE 66 HN ILE 66 -1.052 -2.617 -8.342 502 HA ILE 66 HA ILE 66 1.089 -0.853 -8.773 503 HB ILE 66 HB ILE 66 -1.288 -0.741 -6.909 504 1HG1 ILE 66 HG12 ILE 66 -0.632 0.738 -9.476 505 2HG1 ILE 66 HG11 ILE 66 -1.639 -0.705 -9.393 506 1HG2 ILE 66 HG21 ILE 66 -0.794 1.683 -6.692 507 2HG2 ILE 66 HG22 ILE 66 0.744 1.432 -7.515 508 3HG2 ILE 66 HG23 ILE 66 0.450 0.694 -5.940 509 1HD1 ILE 66 HD11 ILE 66 -3.240 0.456 -7.953 510 2HD1 ILE 66 HD12 ILE 66 -2.985 1.393 -9.423 511 3HD1 ILE 66 HD13 ILE 66 -2.209 1.884 -7.918 512 H LEU 67 HN LEU 67 0.108 -2.641 -5.874 513 HA LEU 67 HA LEU 67 2.108 -1.647 -4.165 514 1HB LEU 67 HB2 LEU 67 0.286 -2.866 -3.168 515 2HB LEU 67 HB1 LEU 67 0.563 -4.255 -4.208 516 HG LEU 67 HG LEU 67 2.803 -4.586 -3.053 517 1HD1 LEU 67 HD11 LEU 67 1.703 -2.311 -1.388 518 2HD1 LEU 67 HD12 LEU 67 3.311 -2.470 -2.097 519 3HD1 LEU 67 HD13 LEU 67 2.855 -3.465 -0.719 520 1HD2 LEU 67 HD21 LEU 67 0.802 -5.882 -2.434 521 2HD2 LEU 67 HD22 LEU 67 0.319 -4.613 -1.308 522 3HD2 LEU 67 HD23 LEU 67 1.789 -5.541 -1.013 523 H GLN 68 HN GLN 68 2.067 -4.392 -6.389 524 HA GLN 68 HA GLN 68 4.652 -5.374 -5.735 525 1HB GLN 68 HB2 GLN 68 3.045 -5.491 -8.300 526 2HB GLN 68 HB1 GLN 68 4.583 -6.322 -8.073 527 1HG GLN 68 HG2 GLN 68 3.689 -7.659 -6.288 528 2HG GLN 68 HG1 GLN 68 2.208 -6.705 -6.237 529 1HE2 GLN 68 HE21 GLN 68 3.878 -9.287 -7.940 530 2HE2 GLN 68 HE22 GLN 68 2.600 -9.670 -8.990 531 H GLU 69 HN GLU 69 3.650 -3.083 -8.337 532 HA GLU 69 HA GLU 69 6.254 -2.656 -9.251 533 1HB GLU 69 HB2 GLU 69 3.758 -0.975 -9.433 534 2HB GLU 69 HB1 GLU 69 5.265 -0.548 -10.244 535 1HG GLU 69 HG2 GLU 69 5.270 -2.726 -11.399 536 2HG GLU 69 HG1 GLU 69 3.765 -3.160 -10.593 537 H THR 70 HN THR 70 4.417 -0.745 -6.849 538 HA THR 70 HA THR 70 6.331 1.289 -6.509 539 HB THR 70 HB THR 70 4.417 0.114 -4.523 540 HG1 THR 70 HG1 THR 70 2.996 1.427 -5.370 541 1HG2 THR 70 HG21 THR 70 4.650 2.356 -3.406 542 2HG2 THR 70 HG22 THR 70 6.017 2.672 -4.474 543 3HG2 THR 70 HG23 THR 70 6.092 1.347 -3.312 544 H TRP 71 HN TRP 71 5.814 -1.725 -4.852 545 HA TRP 71 HA TRP 71 7.883 -1.619 -3.032 546 1HB TRP 71 HB2 TRP 71 5.933 -3.123 -3.002 547 2HB TRP 71 HB1 TRP 71 6.617 -3.994 -4.362 548 HD1 TRP 71 HD1 TRP 71 7.474 -6.205 -3.514 549 HE1 TRP 71 HE1 TRP 71 8.870 -7.023 -1.518 550 HE3 TRP 71 HE3 TRP 71 7.927 -1.834 -0.836 551 HZ2 TRP 71 HZ2 TRP 71 10.005 -6.002 0.882 552 HZ3 TRP 71 HZ3 TRP 71 9.162 -1.817 1.299 553 HH2 TRP 71 HH2 TRP 71 10.196 -3.892 2.167 554 H GLU 72 HN GLU 72 7.865 -2.805 -6.339 555 HA GLU 72 HA GLU 72 10.572 -3.720 -6.237 556 1HB GLU 72 HB2 GLU 72 8.667 -3.302 -8.544 557 2HB GLU 72 HB1 GLU 72 10.320 -3.877 -8.768 558 1HG GLU 72 HG2 GLU 72 9.878 -5.771 -7.257 559 2HG GLU 72 HG1 GLU 72 8.232 -5.200 -7.009 560 H SER 73 HN SER 73 9.224 -0.562 -6.689 561 HA SER 73 HA SER 73 11.759 0.349 -7.931 562 1HB SER 73 HB2 SER 73 10.567 2.327 -8.630 563 2HB SER 73 HB1 SER 73 9.599 0.926 -9.075 564 HG SER 73 HG SER 73 8.340 2.523 -8.044 565 H ALA 74 HN ALA 74 11.174 -0.289 -5.013 566 HA ALA 74 HA ALA 74 10.952 1.850 -3.392 567 1HB ALA 74 HB1 ALA 74 12.800 -0.482 -2.975 568 2HB ALA 74 HB2 ALA 74 11.053 -0.511 -2.723 569 3HB ALA 74 HB3 ALA 74 12.072 0.530 -1.726 570 H ASP 75 HN ASP 75 13.971 0.938 -5.021 571 HA ASP 75 HA ASP 75 15.668 2.576 -3.441 572 1HB ASP 75 HB2 ASP 75 17.291 2.281 -5.262 573 2HB ASP 75 HB1 ASP 75 16.522 0.758 -4.817 574 H ASP 76 HN ASP 76 13.458 3.429 -5.982 575 HA ASP 76 HA ASP 76 14.848 5.962 -6.578 576 1HB ASP 76 HB2 ASP 76 12.426 4.601 -7.740 577 2HB ASP 76 HB1 ASP 76 12.936 6.225 -8.200 578 H TRP 77 HN TRP 77 11.653 4.972 -5.270 579 HA TRP 77 HA TRP 77 11.068 7.794 -4.694 580 1HB TRP 77 HB2 TRP 77 8.865 7.144 -4.233 581 2HB TRP 77 HB1 TRP 77 9.365 6.234 -5.643 582 HD1 TRP 77 HD1 TRP 77 9.359 3.607 -5.464 583 HE1 TRP 77 HE1 TRP 77 8.760 1.952 -3.608 584 HE3 TRP 77 HE3 TRP 77 8.970 6.802 -1.394 585 HZ2 TRP 77 HZ2 TRP 77 8.210 1.929 -0.829 586 HZ3 TRP 77 HZ3 TRP 77 8.406 5.881 0.800 587 HH2 TRP 77 HH2 TRP 77 8.039 3.471 1.093 588 H PHE 78 HN PHE 78 12.302 5.089 -2.875 589 HA PHE 78 HA PHE 78 11.452 6.310 -0.335 590 1HB PHE 78 HB2 PHE 78 11.416 3.874 -0.413 591 2HB PHE 78 HB1 PHE 78 13.112 3.849 -0.872 592 HD1 PHE 78 HD1 PHE 78 11.042 5.562 1.781 593 HD2 PHE 78 HD2 PHE 78 14.602 3.300 0.875 594 HE1 PHE 78 HE1 PHE 78 11.724 5.661 4.151 595 HE2 PHE 78 HE2 PHE 78 15.259 3.402 3.253 596 HZ PHE 78 HZ PHE 78 13.825 4.581 4.893 597 H VAL 79 HN VAL 79 12.575 7.607 0.842 598 HA VAL 79 HA VAL 79 15.443 8.032 0.243 599 HB VAL 79 HB VAL 79 13.693 10.182 1.431 600 1HG1 VAL 79 HG11 VAL 79 15.245 11.652 0.296 601 2HG1 VAL 79 HG12 VAL 79 15.955 10.300 -0.585 602 3HG1 VAL 79 HG13 VAL 79 16.181 10.432 1.159 603 1HG2 VAL 79 HG21 VAL 79 13.229 10.927 -0.964 604 2HG2 VAL 79 HG22 VAL 79 12.321 9.508 -0.426 605 3HG2 VAL 79 HG23 VAL 79 13.728 9.314 -1.474 606 H SER 80 HN SER 80 16.829 8.041 2.122 607 HA SER 80 HA SER 80 15.467 7.696 4.744 608 1HB SER 80 HB2 SER 80 17.289 6.182 5.368 609 2HB SER 80 HB1 SER 80 16.520 5.581 3.897 610 HG SER 80 HG SER 80 18.696 5.558 3.540 611 H GLU 81 HN GLU 81 16.232 8.840 6.413 612 HA GLU 81 HA GLU 81 17.732 11.195 5.905 613 1HB GLU 81 HB2 GLU 81 16.926 9.837 8.484 614 2HB GLU 81 HB1 GLU 81 17.710 11.415 8.412 615 1HG GLU 81 HG2 GLU 81 15.145 10.764 6.940 616 2HG GLU 81 HG1 GLU 81 15.182 11.494 8.544 Start of MODEL 2 1 1H MET 1 HT1 MET 1 -14.754 3.873 -1.202 2 2H MET 1 HT2 MET 1 -13.310 4.761 -1.094 3 3H MET 1 HT3 MET 1 -14.128 4.289 0.319 4 HA MET 1 HA MET 1 -13.771 1.928 -0.390 5 1HB MET 1 HB2 MET 1 -13.274 2.514 -2.754 6 2HB MET 1 HB1 MET 1 -11.792 3.306 -2.227 7 1HG MET 1 HG2 MET 1 -10.801 1.265 -1.557 8 2HG MET 1 HG1 MET 1 -12.351 0.423 -1.538 9 1HE MET 1 HE1 MET 1 -10.005 2.515 -3.478 10 2HE MET 1 HE2 MET 1 -9.983 1.917 -5.133 11 3HE MET 1 HE3 MET 1 -9.144 1.022 -3.870 12 H ARG 2 HN ARG 2 -12.236 0.949 0.973 13 HA ARG 2 HA ARG 2 -10.180 2.735 2.163 14 1HB ARG 2 HB2 ARG 2 -12.003 0.754 3.536 15 2HB ARG 2 HB1 ARG 2 -10.569 1.440 4.300 16 1HG ARG 2 HG2 ARG 2 -11.462 3.712 3.946 17 2HG ARG 2 HG1 ARG 2 -12.901 3.027 3.187 18 1HD ARG 2 HD2 ARG 2 -11.997 2.508 6.030 19 2HD ARG 2 HD1 ARG 2 -13.323 3.566 5.555 20 HE ARG 2 HE ARG 2 -13.716 0.965 4.476 21 1HH1 ARG 2 HH21 ARG 2 -13.301 2.282 7.608 22 2HH1 ARG 2 HH22 ARG 2 -14.679 1.490 8.295 23 1HH2 ARG 2 HH11 ARG 2 -15.724 0.126 5.281 24 2HH2 ARG 2 HH12 ARG 2 -16.053 0.267 6.976 25 H ILE 3 HN ILE 3 -8.177 1.934 2.275 26 HA ILE 3 HA ILE 3 -7.736 -0.925 1.547 27 HB ILE 3 HB ILE 3 -5.972 1.473 1.004 28 1HG1 ILE 3 HG12 ILE 3 -6.501 0.589 -1.432 29 2HG1 ILE 3 HG11 ILE 3 -7.906 -0.147 -0.669 30 1HG2 ILE 3 HG21 ILE 3 -4.586 -0.440 1.375 31 2HG2 ILE 3 HG22 ILE 3 -4.735 -0.276 -0.375 32 3HG2 ILE 3 HG23 ILE 3 -5.685 -1.491 0.481 33 1HD1 ILE 3 HD11 ILE 3 -8.103 2.249 -1.715 34 2HD1 ILE 3 HD12 ILE 3 -7.336 2.782 -0.225 35 3HD1 ILE 3 HD13 ILE 3 -8.875 1.923 -0.169 36 H GLU 4 HN GLU 4 -6.796 -2.101 3.152 37 HA GLU 4 HA GLU 4 -5.124 -0.679 5.164 38 1HB GLU 4 HB2 GLU 4 -7.016 -3.007 5.629 39 2HB GLU 4 HB1 GLU 4 -5.917 -2.342 6.838 40 1HG GLU 4 HG2 GLU 4 -7.015 -0.145 6.641 41 2HG GLU 4 HG1 GLU 4 -8.112 -0.798 5.425 42 H VAL 5 HN VAL 5 -3.134 -1.369 5.421 43 HA VAL 5 HA VAL 5 -2.384 -4.038 4.328 44 HB VAL 5 HB VAL 5 -0.613 -1.598 4.495 45 1HG1 VAL 5 HG11 VAL 5 0.813 -2.834 2.966 46 2HG1 VAL 5 HG12 VAL 5 -0.378 -4.129 2.848 47 3HG1 VAL 5 HG13 VAL 5 0.467 -3.845 4.369 48 1HG2 VAL 5 HG21 VAL 5 -1.040 -1.645 1.907 49 2HG2 VAL 5 HG22 VAL 5 -2.229 -0.879 2.957 50 3HG2 VAL 5 HG23 VAL 5 -2.516 -2.501 2.343 51 H THR 6 HN THR 6 -1.339 -5.420 5.630 52 HA THR 6 HA THR 6 -0.303 -4.423 8.235 53 HB THR 6 HB THR 6 -1.049 -6.400 9.293 54 HG1 THR 6 HG1 THR 6 -0.807 -8.110 8.110 55 1HG2 THR 6 HG21 THR 6 -3.458 -6.445 8.837 56 2HG2 THR 6 HG22 THR 6 -3.194 -5.655 7.283 57 3HG2 THR 6 HG23 THR 6 -2.865 -4.785 8.781 58 H ILE 7 HN ILE 7 1.684 -4.899 8.714 59 HA ILE 7 HA ILE 7 3.211 -6.747 6.974 60 HB ILE 7 HB ILE 7 3.893 -4.168 8.367 61 1HG1 ILE 7 HG12 ILE 7 4.304 -5.065 5.499 62 2HG1 ILE 7 HG11 ILE 7 2.875 -4.197 6.058 63 1HG2 ILE 7 HG21 ILE 7 5.718 -6.363 7.347 64 2HG2 ILE 7 HG22 ILE 7 5.816 -5.471 8.864 65 3HG2 ILE 7 HG23 ILE 7 6.256 -4.682 7.351 66 1HD1 ILE 7 HD11 ILE 7 4.752 -2.771 5.049 67 2HD1 ILE 7 HD12 ILE 7 5.665 -3.138 6.510 68 3HD1 ILE 7 HD13 ILE 7 4.139 -2.265 6.622 69 H ALA 8 HN ALA 8 4.219 -8.431 7.954 70 HA ALA 8 HA ALA 8 3.674 -9.072 10.645 71 1HB ALA 8 HB1 ALA 8 4.124 -10.817 9.032 72 2HB ALA 8 HB2 ALA 8 5.374 -10.881 10.274 73 3HB ALA 8 HB3 ALA 8 5.726 -10.156 8.704 74 H LYS 9 HN LYS 9 4.628 -8.630 12.382 75 HA LYS 9 HA LYS 9 6.554 -6.630 12.661 76 1HB LYS 9 HB2 LYS 9 4.908 -7.213 14.438 77 2HB LYS 9 HB1 LYS 9 5.724 -8.748 14.681 78 1HG LYS 9 HG2 LYS 9 7.818 -7.440 15.289 79 2HG LYS 9 HG1 LYS 9 6.832 -5.979 15.267 80 1HD LYS 9 HD2 LYS 9 6.177 -8.414 16.947 81 2HD LYS 9 HD1 LYS 9 7.100 -7.038 17.546 82 1HE LYS 9 HE2 LYS 9 5.094 -5.601 16.731 83 2HE LYS 9 HE1 LYS 9 4.212 -7.127 16.683 84 1HZ LYS 9 HZ1 LYS 9 4.015 -5.919 18.813 85 2HZ LYS 9 HZ2 LYS 9 5.683 -6.128 19.057 86 3HZ LYS 9 HZ3 LYS 9 4.656 -7.480 18.982 87 H THR 10 HN THR 10 6.965 -10.017 12.171 88 HA THR 10 HA THR 10 9.574 -10.346 13.217 89 HB THR 10 HB THR 10 9.673 -12.205 11.484 90 HG1 THR 10 HG1 THR 10 7.967 -12.490 10.209 91 1HG2 THR 10 HG21 THR 10 8.027 -13.566 12.680 92 2HG2 THR 10 HG22 THR 10 7.244 -12.112 13.297 93 3HG2 THR 10 HG23 THR 10 8.878 -12.521 13.816 94 H SER 11 HN SER 11 8.432 -8.412 10.675 95 HA SER 11 HA SER 11 11.154 -8.250 9.477 96 1HB SER 11 HB2 SER 11 9.937 -7.465 7.405 97 2HB SER 11 HB1 SER 11 9.706 -9.164 7.811 98 HG SER 11 HG SER 11 7.840 -7.441 7.406 99 HA PRO 12 HA PRO 12 10.062 -4.071 11.206 100 1HB PRO 12 HB2 PRO 12 12.737 -3.902 12.291 101 2HB PRO 12 HB1 PRO 12 11.220 -4.056 13.193 102 1HG PRO 12 HG2 PRO 12 13.197 -6.002 13.042 103 2HG PRO 12 HG1 PRO 12 11.516 -6.283 13.522 104 1HD PRO 12 HD2 PRO 12 12.849 -6.857 10.903 105 2HD PRO 12 HD1 PRO 12 11.515 -7.704 11.706 106 H LEU 13 HN LEU 13 10.190 -2.294 10.207 107 HA LEU 13 HA LEU 13 12.338 -1.970 8.195 108 1HB LEU 13 HB2 LEU 13 9.744 -0.430 8.264 109 2HB LEU 13 HB1 LEU 13 10.828 -0.704 6.900 110 HG LEU 13 HG LEU 13 9.160 -2.835 8.277 111 1HD1 LEU 13 HD11 LEU 13 8.898 -1.554 5.536 112 2HD1 LEU 13 HD12 LEU 13 7.784 -1.351 6.889 113 3HD1 LEU 13 HD13 LEU 13 7.953 -2.924 6.115 114 1HD2 LEU 13 HD21 LEU 13 11.190 -3.845 7.452 115 2HD2 LEU 13 HD22 LEU 13 11.093 -2.944 5.939 116 3HD2 LEU 13 HD23 LEU 13 9.922 -4.214 6.286 117 HA PRO 14 HA PRO 14 14.160 1.171 10.623 118 1HB PRO 14 HB2 PRO 14 14.312 3.243 8.590 119 2HB PRO 14 HB1 PRO 14 15.609 2.182 9.160 120 1HG PRO 14 HG2 PRO 14 13.990 1.982 6.729 121 2HG PRO 14 HG1 PRO 14 15.519 1.185 7.126 122 1HD PRO 14 HD2 PRO 14 13.076 -0.117 6.986 123 2HD PRO 14 HD1 PRO 14 14.466 -0.709 7.920 124 H ALA 15 HN ALA 15 13.751 3.005 11.746 125 HA ALA 15 HA ALA 15 11.114 3.609 12.386 126 1HB ALA 15 HB1 ALA 15 11.996 5.251 13.843 127 2HB ALA 15 HB2 ALA 15 13.453 5.435 12.865 128 3HB ALA 15 HB3 ALA 15 13.181 3.947 13.771 129 H GLY 16 HN GLY 16 10.965 4.000 9.658 130 1HA GLY 16 HA2 GLY 16 9.904 6.635 9.445 131 2HA GLY 16 HA1 GLY 16 11.446 6.558 8.634 132 H ALA 17 HN ALA 17 10.816 3.597 8.188 133 HA ALA 17 HA ALA 17 9.941 3.917 5.491 134 1HB ALA 17 HB1 ALA 17 11.514 2.214 5.792 135 2HB ALA 17 HB2 ALA 17 10.001 1.327 5.604 136 3HB ALA 17 HB3 ALA 17 10.686 1.584 7.211 137 H ILE 18 HN ILE 18 8.142 2.661 8.285 138 HA ILE 18 HA ILE 18 5.990 1.684 6.774 139 HB ILE 18 HB ILE 18 6.114 2.869 9.553 140 1HG1 ILE 18 HG12 ILE 18 7.296 0.627 8.825 141 2HG1 ILE 18 HG11 ILE 18 6.379 0.679 10.325 142 1HG2 ILE 18 HG21 ILE 18 3.839 3.130 8.983 143 2HG2 ILE 18 HG22 ILE 18 3.893 1.578 9.820 144 3HG2 ILE 18 HG23 ILE 18 3.807 1.627 8.059 145 1HD1 ILE 18 HD11 ILE 18 4.985 -0.127 7.787 146 2HD1 ILE 18 HD12 ILE 18 4.613 -0.567 9.451 147 3HD1 ILE 18 HD13 ILE 18 5.995 -1.297 8.635 148 H ASP 19 HN ASP 19 6.498 4.869 8.285 149 HA ASP 19 HA ASP 19 4.106 6.030 7.279 150 1HB ASP 19 HB2 ASP 19 5.289 8.230 7.731 151 2HB ASP 19 HB1 ASP 19 5.180 7.152 9.120 152 H ALA 20 HN ALA 20 7.346 5.754 5.879 153 HA ALA 20 HA ALA 20 6.746 7.471 3.714 154 1HB ALA 20 HB1 ALA 20 8.798 6.824 2.782 155 2HB ALA 20 HB2 ALA 20 8.707 5.202 3.471 156 3HB ALA 20 HB3 ALA 20 9.059 6.582 4.510 157 H LEU 21 HN LEU 21 6.442 3.978 4.154 158 HA LEU 21 HA LEU 21 5.741 3.275 1.556 159 1HB LEU 21 HB2 LEU 21 6.396 1.600 3.134 160 2HB LEU 21 HB1 LEU 21 5.131 2.074 4.261 161 HG LEU 21 HG LEU 21 3.431 1.317 2.658 162 1HD1 LEU 21 HD11 LEU 21 4.283 -0.122 0.724 163 2HD1 LEU 21 HD12 LEU 21 5.862 0.604 1.009 164 3HD1 LEU 21 HD13 LEU 21 4.501 1.615 0.533 165 1HD2 LEU 21 HD21 LEU 21 3.758 -1.041 2.986 166 2HD2 LEU 21 HD22 LEU 21 4.471 -0.218 4.373 167 3HD2 LEU 21 HD23 LEU 21 5.506 -0.836 3.086 168 H ALA 22 HN ALA 22 3.714 4.117 4.335 169 HA ALA 22 HA ALA 22 1.191 3.843 3.049 170 1HB ALA 22 HB1 ALA 22 1.774 5.838 5.230 171 2HB ALA 22 HB2 ALA 22 1.683 4.110 5.569 172 3HB ALA 22 HB3 ALA 22 0.279 4.956 4.918 173 H GLY 23 HN GLY 23 3.454 6.565 3.177 174 1HA GLY 23 HA2 GLY 23 1.654 8.404 1.902 175 2HA GLY 23 HA1 GLY 23 3.416 8.561 2.099 176 H GLU 24 HN GLU 24 4.292 6.306 0.615 177 HA GLU 24 HA GLU 24 3.975 7.326 -2.001 178 1HB GLU 24 HB2 GLU 24 5.971 5.972 -1.182 179 2HB GLU 24 HB1 GLU 24 4.953 4.537 -1.288 180 1HG GLU 24 HG2 GLU 24 6.177 4.680 -3.357 181 2HG GLU 24 HG1 GLU 24 4.513 5.142 -3.712 182 H LEU 25 HN LEU 25 2.470 4.607 -0.328 183 HA LEU 25 HA LEU 25 1.139 3.558 -2.576 184 1HB LEU 25 HB2 LEU 25 0.469 3.406 0.362 185 2HB LEU 25 HB1 LEU 25 -0.445 2.546 -0.873 186 HG LEU 25 HG LEU 25 2.545 2.274 -0.484 187 1HD1 LEU 25 HD11 LEU 25 0.260 0.542 0.500 188 2HD1 LEU 25 HD12 LEU 25 1.412 1.431 1.492 189 3HD1 LEU 25 HD13 LEU 25 1.955 0.057 0.532 190 1HD2 LEU 25 HD21 LEU 25 0.532 1.046 -2.348 191 2HD2 LEU 25 HD22 LEU 25 1.829 0.011 -1.753 192 3HD2 LEU 25 HD23 LEU 25 2.215 1.481 -2.641 193 H SER 26 HN SER 26 0.091 5.981 -0.209 194 HA SER 26 HA SER 26 -2.578 6.219 -1.079 195 1HB SER 26 HB2 SER 26 -0.765 8.306 0.144 196 2HB SER 26 HB1 SER 26 -2.511 8.463 -0.028 197 HG SER 26 HG SER 26 -1.247 7.379 1.952 198 H ARG 27 HN ARG 27 0.345 8.021 -2.087 199 HA ARG 27 HA ARG 27 -0.976 9.752 -3.890 200 1HB ARG 27 HB2 ARG 27 1.845 8.633 -3.879 201 2HB ARG 27 HB1 ARG 27 1.302 9.890 -4.986 202 1HG ARG 27 HG2 ARG 27 0.982 10.202 -1.997 203 2HG ARG 27 HG1 ARG 27 2.497 10.619 -2.791 204 1HD ARG 27 HD2 ARG 27 1.124 12.102 -4.353 205 2HD ARG 27 HD1 ARG 27 -0.233 11.835 -3.264 206 HE ARG 27 HE ARG 27 1.753 12.686 -1.600 207 1HH1 ARG 27 HH21 ARG 27 -0.556 14.001 -3.640 208 2HH1 ARG 27 HH22 ARG 27 0.119 15.595 -3.693 209 1HH2 ARG 27 HH11 ARG 27 3.044 14.698 -2.061 210 2HH2 ARG 27 HH12 ARG 27 2.158 15.990 -2.800 211 H ARG 28 HN ARG 28 0.377 6.501 -4.279 212 HA ARG 28 HA ARG 28 -0.078 6.270 -7.054 213 1HB ARG 28 HB2 ARG 28 0.095 4.206 -4.862 214 2HB ARG 28 HB1 ARG 28 -0.076 3.788 -6.560 215 1HG ARG 28 HG2 ARG 28 2.121 5.641 -5.651 216 2HG ARG 28 HG1 ARG 28 2.324 3.896 -5.551 217 1HD ARG 28 HD2 ARG 28 1.725 3.788 -8.019 218 2HD ARG 28 HD1 ARG 28 1.820 5.544 -8.049 219 HE ARG 28 HE ARG 28 4.203 4.693 -6.934 220 1HH1 ARG 28 HH21 ARG 28 4.004 6.219 -9.542 221 2HH1 ARG 28 HH22 ARG 28 4.738 5.118 -10.659 222 1HH2 ARG 28 HH11 ARG 28 4.498 2.387 -8.539 223 2HH2 ARG 28 HH12 ARG 28 5.015 2.951 -10.093 224 H ILE 29 HN ILE 29 -2.121 5.586 -4.270 225 HA ILE 29 HA ILE 29 -4.233 4.334 -5.674 226 HB ILE 29 HB ILE 29 -4.124 5.749 -3.013 227 1HG1 ILE 29 HG12 ILE 29 -2.869 3.495 -3.571 228 2HG1 ILE 29 HG11 ILE 29 -3.774 3.636 -2.069 229 1HG2 ILE 29 HG21 ILE 29 -6.415 5.880 -3.608 230 2HG2 ILE 29 HG22 ILE 29 -6.294 4.440 -2.599 231 3HG2 ILE 29 HG23 ILE 29 -6.399 4.281 -4.353 232 1HD1 ILE 29 HD11 ILE 29 -5.103 2.543 -4.549 233 2HD1 ILE 29 HD12 ILE 29 -5.542 2.301 -2.862 234 3HD1 ILE 29 HD13 ILE 29 -4.116 1.505 -3.523 235 H GLN 30 HN GLN 30 -3.785 7.689 -4.640 236 HA GLN 30 HA GLN 30 -6.315 8.645 -5.587 237 1HB GLN 30 HB2 GLN 30 -3.703 10.042 -4.985 238 2HB GLN 30 HB1 GLN 30 -5.119 10.908 -5.574 239 1HG GLN 30 HG2 GLN 30 -6.415 10.259 -3.643 240 2HG GLN 30 HG1 GLN 30 -5.155 9.154 -3.094 241 1HE2 GLN 30 HE21 GLN 30 -3.671 10.010 -1.632 242 2HE2 GLN 30 HE22 GLN 30 -3.441 11.668 -1.352 243 H TYR 31 HN TYR 31 -3.155 8.420 -7.248 244 HA TYR 31 HA TYR 31 -4.093 9.796 -9.541 245 1HB TYR 31 HB2 TYR 31 -1.773 7.955 -8.981 246 2HB TYR 31 HB1 TYR 31 -2.135 8.435 -10.638 247 HD1 TYR 31 HD1 TYR 31 -2.138 10.194 -7.301 248 HD2 TYR 31 HD2 TYR 31 -0.770 10.188 -11.374 249 HE1 TYR 31 HE1 TYR 31 -0.983 12.343 -6.912 250 HE2 TYR 31 HE2 TYR 31 0.384 12.348 -10.982 251 HH TYR 31 HH TYR 31 -0.225 14.308 -8.356 252 H ALA 32 HN ALA 32 -4.127 6.420 -8.536 253 HA ALA 32 HA ALA 32 -5.062 5.409 -11.022 254 1HB ALA 32 HB1 ALA 32 -5.000 4.275 -8.232 255 2HB ALA 32 HB2 ALA 32 -3.955 3.881 -9.597 256 3HB ALA 32 HB3 ALA 32 -5.644 3.371 -9.603 257 H PHE 33 HN PHE 33 -6.643 6.466 -8.051 258 HA PHE 33 HA PHE 33 -9.317 6.079 -9.308 259 1HB PHE 33 HB2 PHE 33 -8.534 5.971 -6.389 260 2HB PHE 33 HB1 PHE 33 -10.182 5.856 -7.007 261 HD1 PHE 33 HD1 PHE 33 -10.904 3.905 -8.339 262 HD2 PHE 33 HD2 PHE 33 -6.951 4.145 -6.675 263 HE1 PHE 33 HE1 PHE 33 -10.578 1.483 -8.759 264 HE2 PHE 33 HE2 PHE 33 -6.626 1.726 -7.098 265 HZ PHE 33 HZ PHE 33 -8.440 0.394 -8.140 266 HA PRO 34 HA PRO 34 -8.757 10.612 -8.658 267 1HB PRO 34 HB2 PRO 34 -10.334 11.054 -11.056 268 2HB PRO 34 HB1 PRO 34 -8.622 11.407 -10.775 269 1HG PRO 34 HG2 PRO 34 -9.614 9.419 -12.451 270 2HG PRO 34 HG1 PRO 34 -7.959 9.521 -11.833 271 1HD PRO 34 HD2 PRO 34 -10.177 7.738 -10.964 272 2HD PRO 34 HD1 PRO 34 -8.420 7.500 -10.863 273 H ASP 35 HN ASP 35 -11.628 8.767 -9.433 274 HA ASP 35 HA ASP 35 -13.438 10.843 -8.444 275 1HB ASP 35 HB2 ASP 35 -13.888 8.213 -9.838 276 2HB ASP 35 HB1 ASP 35 -15.207 9.201 -9.212 277 H ASN 36 HN ASN 36 -11.833 8.188 -6.960 278 HA ASN 36 HA ASN 36 -14.049 7.979 -4.986 279 1HB ASN 36 HB2 ASN 36 -13.681 5.952 -6.373 280 2HB ASN 36 HB1 ASN 36 -12.083 5.805 -5.642 281 1HD2 ASN 36 HD21 ASN 36 -15.570 5.945 -4.789 282 2HD2 ASN 36 HD22 ASN 36 -15.406 5.069 -3.346 283 H GLU 37 HN GLU 37 -13.407 8.548 -2.806 284 HA GLU 37 HA GLU 37 -10.843 9.450 -2.155 285 1HB GLU 37 HB2 GLU 37 -13.132 8.412 -0.516 286 2HB GLU 37 HB1 GLU 37 -11.703 9.204 0.145 287 1HG GLU 37 HG2 GLU 37 -13.466 10.458 -1.974 288 2HG GLU 37 HG1 GLU 37 -13.678 10.740 -0.248 289 H GLY 38 HN GLY 38 -9.035 8.228 -1.760 290 1HA GLY 38 HA2 GLY 38 -9.335 5.346 -1.019 291 2HA GLY 38 HA1 GLY 38 -7.994 5.891 -1.776 292 H HIS 39 HN HIS 39 -8.805 4.885 1.239 293 HA HIS 39 HA HIS 39 -6.922 6.767 2.525 294 1HB HIS 39 HB2 HIS 39 -9.229 5.167 3.655 295 2HB HIS 39 HB1 HIS 39 -8.017 5.950 4.668 296 HD1 HIS 39 HD1 HIS 39 -10.865 6.707 2.329 297 HD2 HIS 39 HD2 HIS 39 -8.190 8.783 4.760 298 HE1 HIS 39 HE1 HIS 39 -11.727 9.085 2.479 299 H VAL 40 HN VAL 40 -4.972 5.778 3.043 300 HA VAL 40 HA VAL 40 -4.875 2.836 3.081 301 HB VAL 40 HB VAL 40 -2.724 4.836 2.403 302 1HG1 VAL 40 HG11 VAL 40 -1.562 2.723 1.620 303 2HG1 VAL 40 HG12 VAL 40 -2.809 1.811 2.470 304 3HG1 VAL 40 HG13 VAL 40 -1.725 2.872 3.370 305 1HG2 VAL 40 HG21 VAL 40 -4.129 2.844 0.602 306 2HG2 VAL 40 HG22 VAL 40 -3.070 4.168 0.123 307 3HG2 VAL 40 HG23 VAL 40 -4.679 4.514 0.765 308 H SER 41 HN SER 41 -4.222 1.849 4.869 309 HA SER 41 HA SER 41 -2.748 3.393 6.931 310 1HB SER 41 HB2 SER 41 -5.064 3.075 7.710 311 2HB SER 41 HB1 SER 41 -4.926 1.340 7.448 312 HG SER 41 HG SER 41 -3.236 2.856 9.154 313 H VAL 42 HN VAL 42 -1.067 2.406 7.933 314 HA VAL 42 HA VAL 42 -0.512 -0.412 7.217 315 HB VAL 42 HB VAL 42 1.560 1.810 7.264 316 1HG1 VAL 42 HG11 VAL 42 1.720 -1.144 6.603 317 2HG1 VAL 42 HG12 VAL 42 2.497 -0.316 7.953 318 3HG1 VAL 42 HG13 VAL 42 3.021 0.009 6.300 319 1HG2 VAL 42 HG21 VAL 42 1.593 1.782 4.910 320 2HG2 VAL 42 HG22 VAL 42 -0.128 1.709 5.277 321 3HG2 VAL 42 HG23 VAL 42 0.740 0.246 4.817 322 H ARG 43 HN ARG 43 -0.042 -1.657 8.887 323 HA ARG 43 HA ARG 43 1.163 -0.493 11.281 324 1HB ARG 43 HB2 ARG 43 -0.564 -1.379 12.779 325 2HB ARG 43 HB1 ARG 43 -1.258 -0.219 11.643 326 1HG ARG 43 HG2 ARG 43 -1.893 -2.172 10.172 327 2HG ARG 43 HG1 ARG 43 -1.392 -3.241 11.482 328 1HD ARG 43 HD2 ARG 43 -3.011 -2.138 12.991 329 2HD ARG 43 HD1 ARG 43 -3.528 -1.097 11.668 330 HE ARG 43 HE ARG 43 -4.175 -3.916 12.021 331 1HH1 ARG 43 HH11 ARG 43 -4.072 -1.141 9.951 332 2HH1 ARG 43 HH12 ARG 43 -5.217 -1.777 8.817 333 1HH2 ARG 43 HH21 ARG 43 -5.648 -4.765 10.521 334 2HH2 ARG 43 HH22 ARG 43 -6.108 -3.827 9.140 335 H TYR 44 HN TYR 44 1.837 -2.142 12.847 336 HA TYR 44 HA TYR 44 2.775 -4.579 11.514 337 1HB TYR 44 HB2 TYR 44 3.167 -3.500 14.328 338 2HB TYR 44 HB1 TYR 44 3.880 -4.991 13.729 339 HD1 TYR 44 HD1 TYR 44 5.123 -4.688 11.342 340 HD2 TYR 44 HD2 TYR 44 4.523 -1.598 14.269 341 HE1 TYR 44 HE1 TYR 44 7.039 -3.422 10.402 342 HE2 TYR 44 HE2 TYR 44 6.433 -0.333 13.327 343 HH TYR 44 HH TYR 44 8.015 -0.276 11.782 344 H ALA 45 HN ALA 45 2.070 -6.584 11.815 345 HA ALA 45 HA ALA 45 0.017 -7.127 13.853 346 1HB ALA 45 HB1 ALA 45 -1.080 -6.540 11.637 347 2HB ALA 45 HB2 ALA 45 -1.464 -8.143 12.261 348 3HB ALA 45 HB3 ALA 45 -0.287 -7.963 10.959 349 H ALA 46 HN ALA 46 -0.334 -9.577 14.003 350 HA ALA 46 HA ALA 46 2.179 -10.831 14.292 351 1HB ALA 46 HB1 ALA 46 1.024 -12.728 15.048 352 2HB ALA 46 HB2 ALA 46 -0.342 -12.448 13.968 353 3HB ALA 46 HB3 ALA 46 -0.124 -11.436 15.397 354 H ALA 47 HN ALA 47 0.026 -10.631 11.543 355 HA ALA 47 HA ALA 47 2.044 -12.135 9.993 356 1HB ALA 47 HB1 ALA 47 -0.941 -12.626 9.914 357 2HB ALA 47 HB2 ALA 47 0.295 -13.746 10.488 358 3HB ALA 47 HB3 ALA 47 0.224 -13.310 8.781 359 H ASN 48 HN ASN 48 2.154 -11.662 7.773 360 HA ASN 48 HA ASN 48 1.454 -8.962 7.037 361 1HB ASN 48 HB2 ASN 48 3.454 -10.053 6.119 362 2HB ASN 48 HB1 ASN 48 2.444 -11.276 5.348 363 1HD2 ASN 48 HD21 ASN 48 3.095 -7.741 5.362 364 2HD2 ASN 48 HD22 ASN 48 2.552 -7.485 3.775 365 H ASN 49 HN ASN 49 -0.460 -8.309 6.180 366 HA ASN 49 HA ASN 49 -2.088 -10.150 4.608 367 1HB ASN 49 HB2 ASN 49 -2.878 -10.590 6.882 368 2HB ASN 49 HB1 ASN 49 -3.149 -8.868 7.136 369 1HD2 ASN 49 HD21 ASN 49 -4.207 -11.612 5.076 370 2HD2 ASN 49 HD22 ASN 49 -5.734 -10.954 4.731 371 H LEU 50 HN LEU 50 -3.575 -9.098 3.274 372 HA LEU 50 HA LEU 50 -3.474 -6.139 3.233 373 1HB LEU 50 HB2 LEU 50 -2.084 -7.118 1.415 374 2HB LEU 50 HB1 LEU 50 -3.469 -8.062 0.879 375 HG LEU 50 HG LEU 50 -4.721 -5.941 0.462 376 1HD1 LEU 50 HD11 LEU 50 -3.167 -3.865 0.300 377 2HD1 LEU 50 HD12 LEU 50 -2.146 -4.740 1.440 378 3HD1 LEU 50 HD13 LEU 50 -3.808 -4.333 1.871 379 1HD2 LEU 50 HD21 LEU 50 -2.050 -6.323 -0.924 380 2HD2 LEU 50 HD22 LEU 50 -3.272 -5.193 -1.499 381 3HD2 LEU 50 HD23 LEU 50 -3.626 -6.919 -1.447 382 H SER 51 HN SER 51 -5.547 -5.349 3.520 383 HA SER 51 HA SER 51 -7.814 -7.074 2.672 384 1HB SER 51 HB2 SER 51 -7.605 -5.222 5.055 385 2HB SER 51 HB1 SER 51 -9.075 -6.043 4.536 386 HG SER 51 HG SER 51 -6.689 -7.106 5.591 387 H VAL 52 HN VAL 52 -9.187 -6.120 1.252 388 HA VAL 52 HA VAL 52 -9.128 -3.186 0.982 389 HB VAL 52 HB VAL 52 -9.413 -5.271 -1.201 390 1HG1 VAL 52 HG11 VAL 52 -9.365 -3.189 -2.681 391 2HG1 VAL 52 HG12 VAL 52 -9.684 -2.259 -1.218 392 3HG1 VAL 52 HG13 VAL 52 -10.855 -3.455 -1.775 393 1HG2 VAL 52 HG21 VAL 52 -7.310 -4.401 -2.031 394 2HG2 VAL 52 HG22 VAL 52 -7.094 -4.829 -0.333 395 3HG2 VAL 52 HG23 VAL 52 -7.295 -3.140 -0.798 396 H ILE 53 HN ILE 53 -11.088 -2.272 1.380 397 HA ILE 53 HA ILE 53 -13.507 -3.977 1.118 398 HB ILE 53 HB ILE 53 -12.969 -1.749 3.095 399 1HG1 ILE 53 HG12 ILE 53 -11.947 -4.215 3.353 400 2HG1 ILE 53 HG11 ILE 53 -12.603 -3.352 4.736 401 1HG2 ILE 53 HG21 ILE 53 -15.195 -2.594 4.041 402 2HG2 ILE 53 HG22 ILE 53 -15.414 -3.421 2.499 403 3HG2 ILE 53 HG23 ILE 53 -15.275 -1.663 2.545 404 1HD1 ILE 53 HD11 ILE 53 -14.394 -5.139 3.093 405 2HD1 ILE 53 HD12 ILE 53 -14.569 -4.635 4.771 406 3HD1 ILE 53 HD13 ILE 53 -13.344 -5.823 4.332 407 H GLY 54 HN GLY 54 -14.975 -3.292 -0.293 408 1HA GLY 54 HA2 GLY 54 -16.429 -1.662 -1.229 409 2HA GLY 54 HA1 GLY 54 -15.261 -0.413 -0.807 410 H ALA 55 HN ALA 55 -13.921 -3.223 -2.352 411 HA ALA 55 HA ALA 55 -13.835 -1.724 -4.916 412 1HB ALA 55 HB1 ALA 55 -11.580 -3.546 -4.145 413 2HB ALA 55 HB2 ALA 55 -11.678 -1.962 -3.382 414 3HB ALA 55 HB3 ALA 55 -11.557 -2.085 -5.136 415 H THR 56 HN THR 56 -13.355 -2.951 -6.799 416 HA THR 56 HA THR 56 -14.844 -5.496 -7.049 417 HB THR 56 HB THR 56 -14.693 -4.972 -9.399 418 HG1 THR 56 HG1 THR 56 -13.699 -2.555 -9.416 419 1HG2 THR 56 HG21 THR 56 -16.431 -3.842 -7.955 420 2HG2 THR 56 HG22 THR 56 -16.045 -2.979 -9.443 421 3HG2 THR 56 HG23 THR 56 -15.377 -2.430 -7.906 422 H LYS 57 HN LYS 57 -13.943 -7.214 -8.173 423 HA LYS 57 HA LYS 57 -11.455 -8.029 -7.265 424 1HB LYS 57 HB2 LYS 57 -13.152 -9.632 -8.029 425 2HB LYS 57 HB1 LYS 57 -12.977 -9.058 -9.687 426 1HG LYS 57 HG2 LYS 57 -10.623 -9.835 -9.707 427 2HG LYS 57 HG1 LYS 57 -10.794 -10.415 -8.049 428 1HD LYS 57 HD2 LYS 57 -12.455 -12.023 -8.702 429 2HD LYS 57 HD1 LYS 57 -12.558 -11.338 -10.325 430 1HE LYS 57 HE2 LYS 57 -10.259 -12.002 -10.796 431 2HE LYS 57 HE1 LYS 57 -10.062 -12.591 -9.146 432 1HZ LYS 57 HZ1 LYS 57 -10.906 -14.060 -11.270 433 2HZ LYS 57 HZ2 LYS 57 -12.354 -13.698 -10.457 434 3HZ LYS 57 HZ3 LYS 57 -11.090 -14.484 -9.638 435 H GLU 58 HN GLU 58 -12.218 -6.546 -10.473 436 HA GLU 58 HA GLU 58 -9.610 -6.911 -11.530 437 1HB GLU 58 HB2 GLU 58 -11.647 -6.358 -12.879 438 2HB GLU 58 HB1 GLU 58 -11.656 -4.757 -12.141 439 1HG GLU 58 HG2 GLU 58 -9.407 -4.318 -13.058 440 2HG GLU 58 HG1 GLU 58 -9.398 -5.919 -13.796 441 H ASP 59 HN ASP 59 -11.117 -4.388 -9.575 442 HA ASP 59 HA ASP 59 -9.011 -2.513 -9.748 443 1HB ASP 59 HB2 ASP 59 -11.126 -3.003 -7.640 444 2HB ASP 59 HB1 ASP 59 -9.995 -1.653 -7.578 445 H LYS 60 HN LYS 60 -9.789 -5.117 -7.510 446 HA LYS 60 HA LYS 60 -7.604 -4.733 -5.740 447 1HB LYS 60 HB2 LYS 60 -9.250 -7.197 -6.388 448 2HB LYS 60 HB1 LYS 60 -8.027 -7.149 -5.116 449 1HG LYS 60 HG2 LYS 60 -9.229 -5.301 -4.022 450 2HG LYS 60 HG1 LYS 60 -10.454 -5.343 -5.289 451 1HD LYS 60 HD2 LYS 60 -10.875 -7.757 -4.680 452 2HD LYS 60 HD1 LYS 60 -9.809 -7.527 -3.294 453 1HE LYS 60 HE2 LYS 60 -11.270 -5.648 -2.536 454 2HE LYS 60 HE1 LYS 60 -12.368 -6.005 -3.867 455 1HZ LYS 60 HZ1 LYS 60 -12.070 -8.418 -2.754 456 2HZ LYS 60 HZ2 LYS 60 -13.330 -7.343 -2.372 457 3HZ LYS 60 HZ3 LYS 60 -11.951 -7.426 -1.384 458 H GLN 61 HN GLN 61 -7.808 -6.655 -8.748 459 HA GLN 61 HA GLN 61 -5.236 -7.829 -8.383 460 1HB GLN 61 HB2 GLN 61 -6.900 -7.262 -10.854 461 2HB GLN 61 HB1 GLN 61 -5.365 -8.132 -10.899 462 1HG GLN 61 HG2 GLN 61 -6.253 -9.819 -9.350 463 2HG GLN 61 HG1 GLN 61 -7.777 -8.939 -9.245 464 1HE2 GLN 61 HE21 GLN 61 -7.427 -11.696 -10.254 465 2HE2 GLN 61 HE22 GLN 61 -7.952 -11.682 -11.868 466 H ARG 62 HN ARG 62 -6.386 -4.830 -9.981 467 HA ARG 62 HA ARG 62 -3.883 -4.065 -10.976 468 1HB ARG 62 HB2 ARG 62 -5.956 -2.963 -11.718 469 2HB ARG 62 HB1 ARG 62 -6.204 -2.309 -10.100 470 1HG ARG 62 HG2 ARG 62 -4.225 -0.944 -10.267 471 2HG ARG 62 HG1 ARG 62 -3.740 -1.721 -11.773 472 1HD ARG 62 HD2 ARG 62 -5.684 -0.810 -12.919 473 2HD ARG 62 HD1 ARG 62 -6.291 -0.127 -11.412 474 HE ARG 62 HE ARG 62 -4.719 1.593 -11.601 475 1HH1 ARG 62 HH21 ARG 62 -5.146 0.828 -14.624 476 2HH1 ARG 62 HH22 ARG 62 -3.514 0.943 -15.191 477 1HH2 ARG 62 HH11 ARG 62 -2.134 0.979 -12.010 478 2HH2 ARG 62 HH12 ARG 62 -1.808 1.028 -13.711 479 H ILE 63 HN ILE 63 -5.445 -3.320 -7.890 480 HA ILE 63 HA ILE 63 -3.364 -1.693 -6.907 481 HB ILE 63 HB ILE 63 -5.375 -3.351 -5.420 482 1HG1 ILE 63 HG12 ILE 63 -5.187 -0.347 -5.678 483 2HG1 ILE 63 HG11 ILE 63 -6.062 -1.326 -6.856 484 1HG2 ILE 63 HG21 ILE 63 -3.208 -1.498 -4.434 485 2HG2 ILE 63 HG22 ILE 63 -3.628 -3.104 -3.841 486 3HG2 ILE 63 HG23 ILE 63 -4.685 -1.735 -3.500 487 1HD1 ILE 63 HD11 ILE 63 -7.541 -0.440 -5.050 488 2HD1 ILE 63 HD12 ILE 63 -6.598 -1.353 -3.873 489 3HD1 ILE 63 HD13 ILE 63 -7.520 -2.203 -5.113 490 H SER 64 HN SER 64 -3.782 -5.189 -6.694 491 HA SER 64 HA SER 64 -1.505 -5.649 -5.057 492 1HB SER 64 HB2 SER 64 -1.551 -7.927 -5.908 493 2HB SER 64 HB1 SER 64 -3.212 -7.401 -5.652 494 HG SER 64 HG SER 64 -1.756 -7.645 -8.063 495 H GLU 65 HN GLU 65 -1.921 -5.347 -8.633 496 HA GLU 65 HA GLU 65 0.771 -5.819 -9.260 497 1HB GLU 65 HB2 GLU 65 -1.364 -4.215 -10.689 498 2HB GLU 65 HB1 GLU 65 0.242 -4.502 -11.362 499 1HG GLU 65 HG2 GLU 65 -0.099 -6.902 -11.306 500 2HG GLU 65 HG1 GLU 65 -1.636 -6.706 -10.465 501 H ILE 66 HN ILE 66 -0.947 -2.819 -8.451 502 HA ILE 66 HA ILE 66 1.202 -1.062 -8.876 503 HB ILE 66 HB ILE 66 -1.162 -0.901 -6.998 504 1HG1 ILE 66 HG12 ILE 66 -0.510 0.572 -9.570 505 2HG1 ILE 66 HG11 ILE 66 -1.512 -0.875 -9.498 506 1HG2 ILE 66 HG21 ILE 66 0.492 0.521 -6.002 507 2HG2 ILE 66 HG22 ILE 66 -0.553 1.575 -6.948 508 3HG2 ILE 66 HG23 ILE 66 1.026 1.112 -7.576 509 1HD1 ILE 66 HD11 ILE 66 -2.169 1.522 -7.787 510 2HD1 ILE 66 HD12 ILE 66 -3.231 0.222 -8.320 511 3HD1 ILE 66 HD13 ILE 66 -2.692 1.446 -9.468 512 H LEU 67 HN LEU 67 0.203 -2.811 -5.961 513 HA LEU 67 HA LEU 67 2.200 -1.788 -4.257 514 1HB LEU 67 HB2 LEU 67 0.379 -3.003 -3.246 515 2HB LEU 67 HB1 LEU 67 0.680 -4.413 -4.253 516 HG LEU 67 HG LEU 67 2.917 -4.687 -3.094 517 1HD1 LEU 67 HD11 LEU 67 1.838 -2.326 -1.550 518 2HD1 LEU 67 HD12 LEU 67 3.468 -2.593 -2.174 519 3HD1 LEU 67 HD13 LEU 67 2.911 -3.484 -0.764 520 1HD2 LEU 67 HD21 LEU 67 1.958 -5.695 -1.111 521 2HD2 LEU 67 HD22 LEU 67 0.821 -5.911 -2.444 522 3HD2 LEU 67 HD23 LEU 67 0.528 -4.668 -1.226 523 H GLN 68 HN GLN 68 2.159 -4.536 -6.470 524 HA GLN 68 HA GLN 68 4.743 -5.489 -5.793 525 1HB GLN 68 HB2 GLN 68 3.116 -5.701 -8.335 526 2HB GLN 68 HB1 GLN 68 4.682 -6.484 -8.123 527 1HG GLN 68 HG2 GLN 68 3.833 -7.708 -6.173 528 2HG GLN 68 HG1 GLN 68 2.277 -6.898 -6.321 529 1HE2 GLN 68 HE21 GLN 68 2.584 -9.777 -6.492 530 2HE2 GLN 68 HE22 GLN 68 2.157 -10.244 -8.066 531 H GLU 69 HN GLU 69 3.726 -3.230 -8.422 532 HA GLU 69 HA GLU 69 6.327 -2.790 -9.333 533 1HB GLU 69 HB2 GLU 69 3.867 -1.051 -9.519 534 2HB GLU 69 HB1 GLU 69 5.356 -0.772 -10.426 535 1HG GLU 69 HG2 GLU 69 5.175 -3.022 -11.421 536 2HG GLU 69 HG1 GLU 69 3.689 -3.304 -10.520 537 H THR 70 HN THR 70 4.449 -0.851 -6.957 538 HA THR 70 HA THR 70 6.382 1.171 -6.638 539 HB THR 70 HB THR 70 4.477 0.094 -4.585 540 HG1 THR 70 HG1 THR 70 3.666 2.371 -5.496 541 1HG2 THR 70 HG21 THR 70 6.211 2.549 -4.719 542 2HG2 THR 70 HG22 THR 70 6.030 1.400 -3.392 543 3HG2 THR 70 HG23 THR 70 4.732 2.535 -3.758 544 H TRP 71 HN TRP 71 5.817 -1.815 -4.932 545 HA TRP 71 HA TRP 71 7.879 -1.704 -3.097 546 1HB TRP 71 HB2 TRP 71 5.945 -3.224 -3.047 547 2HB TRP 71 HB1 TRP 71 6.608 -4.086 -4.424 548 HD1 TRP 71 HD1 TRP 71 7.587 -6.281 -3.639 549 HE1 TRP 71 HE1 TRP 71 8.993 -7.088 -1.640 550 HE3 TRP 71 HE3 TRP 71 7.818 -1.959 -0.880 551 HZ2 TRP 71 HZ2 TRP 71 10.054 -6.062 0.800 552 HZ3 TRP 71 HZ3 TRP 71 9.021 -1.923 1.274 553 HH2 TRP 71 HH2 TRP 71 10.134 -3.966 2.123 554 H GLU 72 HN GLU 72 7.875 -2.887 -6.402 555 HA GLU 72 HA GLU 72 10.584 -3.795 -6.289 556 1HB GLU 72 HB2 GLU 72 8.692 -3.371 -8.603 557 2HB GLU 72 HB1 GLU 72 10.356 -3.909 -8.830 558 1HG GLU 72 HG2 GLU 72 9.956 -5.842 -7.377 559 2HG GLU 72 HG1 GLU 72 8.306 -5.304 -7.084 560 H SER 73 HN SER 73 9.236 -0.628 -6.719 561 HA SER 73 HA SER 73 11.777 0.289 -7.944 562 1HB SER 73 HB2 SER 73 10.524 2.366 -8.478 563 2HB SER 73 HB1 SER 73 9.780 0.936 -9.190 564 HG SER 73 HG SER 73 8.088 1.252 -7.983 565 H ALA 74 HN ALA 74 11.148 -0.341 -5.024 566 HA ALA 74 HA ALA 74 10.909 1.808 -3.410 567 1HB ALA 74 HB1 ALA 74 10.929 -0.387 -2.534 568 2HB ALA 74 HB2 ALA 74 12.286 0.465 -1.793 569 3HB ALA 74 HB3 ALA 74 12.571 -0.676 -3.108 570 H ASP 75 HN ASP 75 13.928 0.900 -5.056 571 HA ASP 75 HA ASP 75 15.626 2.539 -3.468 572 1HB ASP 75 HB2 ASP 75 15.913 1.401 -6.245 573 2HB ASP 75 HB1 ASP 75 17.194 2.305 -5.439 574 H ASP 76 HN ASP 76 13.430 3.360 -6.042 575 HA ASP 76 HA ASP 76 14.827 5.880 -6.653 576 1HB ASP 76 HB2 ASP 76 12.370 4.545 -7.788 577 2HB ASP 76 HB1 ASP 76 12.921 6.146 -8.276 578 H TRP 77 HN TRP 77 11.648 4.894 -5.322 579 HA TRP 77 HA TRP 77 11.082 7.716 -4.727 580 1HB TRP 77 HB2 TRP 77 8.876 7.095 -4.277 581 2HB TRP 77 HB1 TRP 77 9.365 6.182 -5.687 582 HD1 TRP 77 HD1 TRP 77 9.258 3.564 -5.534 583 HE1 TRP 77 HE1 TRP 77 8.606 1.911 -3.691 584 HE3 TRP 77 HE3 TRP 77 9.006 6.728 -1.423 585 HZ2 TRP 77 HZ2 TRP 77 8.059 1.883 -0.910 586 HZ3 TRP 77 HZ3 TRP 77 8.416 5.808 0.757 587 HH2 TRP 77 HH2 TRP 77 7.949 3.413 1.031 588 H PHE 78 HN PHE 78 12.317 4.992 -2.933 589 HA PHE 78 HA PHE 78 11.497 6.220 -0.382 590 1HB PHE 78 HB2 PHE 78 11.478 3.768 -0.475 591 2HB PHE 78 HB1 PHE 78 13.189 3.769 -0.884 592 HD1 PHE 78 HD1 PHE 78 10.920 5.315 1.692 593 HD2 PHE 78 HD2 PHE 78 14.729 3.462 0.884 594 HE1 PHE 78 HE1 PHE 78 11.524 5.484 4.085 595 HE2 PHE 78 HE2 PHE 78 15.311 3.632 3.279 596 HZ PHE 78 HZ PHE 78 13.714 4.642 4.880 597 H VAL 79 HN VAL 79 12.653 7.560 0.732 598 HA VAL 79 HA VAL 79 15.523 7.917 0.097 599 HB VAL 79 HB VAL 79 13.824 10.166 1.163 600 1HG1 VAL 79 HG11 VAL 79 15.970 10.220 -0.964 601 2HG1 VAL 79 HG12 VAL 79 16.366 10.237 0.755 602 3HG1 VAL 79 HG13 VAL 79 15.408 11.543 0.057 603 1HG2 VAL 79 HG21 VAL 79 12.434 9.325 -0.653 604 2HG2 VAL 79 HG22 VAL 79 13.842 9.183 -1.711 605 3HG2 VAL 79 HG23 VAL 79 13.269 10.775 -1.218 606 H SER 80 HN SER 80 16.899 8.399 2.006 607 HA SER 80 HA SER 80 15.547 8.202 4.628 608 1HB SER 80 HB2 SER 80 16.377 5.910 3.927 609 2HB SER 80 HB1 SER 80 18.011 6.573 3.940 610 HG SER 80 HG SER 80 16.282 5.997 6.030 611 H GLU 81 HN GLU 81 16.415 9.474 6.157 612 HA GLU 81 HA GLU 81 18.026 11.637 5.523 613 1HB GLU 81 HB2 GLU 81 17.641 10.278 8.201 614 2HB GLU 81 HB1 GLU 81 18.402 11.855 7.985 615 1HG GLU 81 HG2 GLU 81 16.343 12.710 6.929 616 2HG GLU 81 HG1 GLU 81 15.579 11.136 7.144 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -14.611 4.155 0.208 2 2H MET 1 HT2 MET 1 -14.262 4.325 -1.446 3 3H MET 1 HT3 MET 1 -13.220 4.992 -0.282 4 HA MET 1 HA MET 1 -13.745 2.109 -0.234 5 1HB MET 1 HB2 MET 1 -12.093 3.638 -2.243 6 2HB MET 1 HB1 MET 1 -11.585 2.025 -1.745 7 1HG MET 1 HG2 MET 1 -13.564 1.024 -2.574 8 2HG MET 1 HG1 MET 1 -14.399 2.573 -2.695 9 1HE MET 1 HE1 MET 1 -10.857 1.177 -5.262 10 2HE MET 1 HE2 MET 1 -11.323 0.623 -3.656 11 3HE MET 1 HE3 MET 1 -10.561 2.201 -3.851 12 H ARG 2 HN ARG 2 -12.264 1.109 1.153 13 HA ARG 2 HA ARG 2 -10.198 2.860 2.356 14 1HB ARG 2 HB2 ARG 2 -12.068 2.528 3.934 15 2HB ARG 2 HB1 ARG 2 -11.883 0.781 3.786 16 1HG ARG 2 HG2 ARG 2 -9.593 0.929 4.685 17 2HG ARG 2 HG1 ARG 2 -9.745 2.682 4.801 18 1HD ARG 2 HD2 ARG 2 -11.639 2.400 6.368 19 2HD ARG 2 HD1 ARG 2 -11.451 0.651 6.268 20 HE ARG 2 HE ARG 2 -8.971 1.564 7.024 21 1HH1 ARG 2 HH21 ARG 2 -12.187 1.402 8.246 22 2HH1 ARG 2 HH22 ARG 2 -11.742 1.780 9.877 23 1HH2 ARG 2 HH11 ARG 2 -8.395 2.286 9.128 24 2HH2 ARG 2 HH12 ARG 2 -9.596 2.280 10.376 25 H ILE 3 HN ILE 3 -8.214 2.047 2.396 26 HA ILE 3 HA ILE 3 -7.789 -0.811 1.641 27 HB ILE 3 HB ILE 3 -6.118 1.644 1.048 28 1HG1 ILE 3 HG12 ILE 3 -6.591 0.430 -1.358 29 2HG1 ILE 3 HG11 ILE 3 -8.063 -0.032 -0.515 30 1HG2 ILE 3 HG21 ILE 3 -5.583 -1.309 0.719 31 2HG2 ILE 3 HG22 ILE 3 -4.561 -0.085 1.473 32 3HG2 ILE 3 HG23 ILE 3 -4.769 -0.104 -0.279 33 1HD1 ILE 3 HD11 ILE 3 -8.250 2.118 -1.799 34 2HD1 ILE 3 HD12 ILE 3 -7.054 2.823 -0.715 35 3HD1 ILE 3 HD13 ILE 3 -8.613 2.291 -0.085 36 H GLU 4 HN GLU 4 -6.790 -2.005 3.190 37 HA GLU 4 HA GLU 4 -5.088 -0.602 5.185 38 1HB GLU 4 HB2 GLU 4 -6.963 -2.933 5.684 39 2HB GLU 4 HB1 GLU 4 -5.864 -2.236 6.875 40 1HG GLU 4 HG2 GLU 4 -6.988 -0.053 6.644 41 2HG GLU 4 HG1 GLU 4 -8.090 -0.743 5.454 42 H VAL 5 HN VAL 5 -3.101 -1.303 5.417 43 HA VAL 5 HA VAL 5 -2.362 -3.968 4.307 44 HB VAL 5 HB VAL 5 -0.595 -1.518 4.457 45 1HG1 VAL 5 HG11 VAL 5 0.617 -3.632 4.408 46 2HG1 VAL 5 HG12 VAL 5 0.775 -2.838 2.841 47 3HG1 VAL 5 HG13 VAL 5 -0.345 -4.186 3.038 48 1HG2 VAL 5 HG21 VAL 5 -2.406 -2.538 2.267 49 2HG2 VAL 5 HG22 VAL 5 -0.968 -1.598 1.884 50 3HG2 VAL 5 HG23 VAL 5 -2.242 -0.895 2.878 51 H THR 6 HN THR 6 -1.318 -5.361 5.608 52 HA THR 6 HA THR 6 -0.252 -4.350 8.195 53 HB THR 6 HB THR 6 -0.997 -6.297 9.293 54 HG1 THR 6 HG1 THR 6 -1.799 -7.372 6.806 55 1HG2 THR 6 HG21 THR 6 -3.255 -5.859 7.342 56 2HG2 THR 6 HG22 THR 6 -2.799 -4.615 8.507 57 3HG2 THR 6 HG23 THR 6 -3.346 -6.193 9.070 58 H ILE 7 HN ILE 7 1.736 -4.859 8.674 59 HA ILE 7 HA ILE 7 3.241 -6.726 6.930 60 HB ILE 7 HB ILE 7 3.944 -4.130 8.277 61 1HG1 ILE 7 HG12 ILE 7 4.398 -5.084 5.433 62 2HG1 ILE 7 HG11 ILE 7 2.942 -4.231 5.944 63 1HG2 ILE 7 HG21 ILE 7 6.302 -4.652 7.326 64 2HG2 ILE 7 HG22 ILE 7 5.765 -6.332 7.252 65 3HG2 ILE 7 HG23 ILE 7 5.837 -5.496 8.803 66 1HD1 ILE 7 HD11 ILE 7 5.668 -3.079 6.510 67 2HD1 ILE 7 HD12 ILE 7 4.115 -2.248 6.409 68 3HD1 ILE 7 HD13 ILE 7 4.897 -2.839 4.943 69 H ALA 8 HN ALA 8 4.266 -8.398 7.924 70 HA ALA 8 HA ALA 8 3.724 -9.029 10.619 71 1HB ALA 8 HB1 ALA 8 5.720 -10.113 8.631 72 2HB ALA 8 HB2 ALA 8 4.159 -10.804 9.077 73 3HB ALA 8 HB3 ALA 8 5.489 -10.808 10.236 74 H LYS 9 HN LYS 9 4.678 -8.582 12.365 75 HA LYS 9 HA LYS 9 6.608 -6.588 12.633 76 1HB LYS 9 HB2 LYS 9 4.997 -7.121 14.434 77 2HB LYS 9 HB1 LYS 9 5.765 -8.683 14.668 78 1HG LYS 9 HG2 LYS 9 7.867 -7.559 15.347 79 2HG LYS 9 HG1 LYS 9 7.103 -5.984 15.119 80 1HD LYS 9 HD2 LYS 9 5.517 -6.409 16.873 81 2HD LYS 9 HD1 LYS 9 6.023 -8.095 16.999 82 1HE LYS 9 HE2 LYS 9 7.941 -5.803 17.457 83 2HE LYS 9 HE1 LYS 9 6.974 -6.493 18.760 84 1HZ LYS 9 HZ1 LYS 9 8.131 -8.598 17.341 85 2HZ LYS 9 HZ2 LYS 9 8.448 -8.113 18.938 86 3HZ LYS 9 HZ3 LYS 9 9.359 -7.472 17.655 87 H THR 10 HN THR 10 7.006 -9.984 12.164 88 HA THR 10 HA THR 10 9.619 -10.326 13.201 89 HB THR 10 HB THR 10 9.718 -12.189 11.489 90 HG1 THR 10 HG1 THR 10 7.063 -11.328 11.005 91 1HG2 THR 10 HG21 THR 10 8.095 -13.555 12.653 92 2HG2 THR 10 HG22 THR 10 7.193 -12.129 13.163 93 3HG2 THR 10 HG23 THR 10 8.801 -12.436 13.818 94 H SER 11 HN SER 11 8.438 -8.401 10.678 95 HA SER 11 HA SER 11 11.142 -8.186 9.451 96 1HB SER 11 HB2 SER 11 9.718 -9.074 7.768 97 2HB SER 11 HB1 SER 11 8.395 -7.998 8.210 98 HG SER 11 HG SER 11 10.797 -6.786 7.542 99 HA PRO 12 HA PRO 12 10.014 -4.027 11.215 100 1HB PRO 12 HB2 PRO 12 12.686 -3.838 12.298 101 2HB PRO 12 HB1 PRO 12 11.173 -4.021 13.204 102 1HG PRO 12 HG2 PRO 12 13.169 -5.938 13.047 103 2HG PRO 12 HG1 PRO 12 11.484 -6.255 13.491 104 1HD PRO 12 HD2 PRO 12 12.864 -6.727 10.870 105 2HD PRO 12 HD1 PRO 12 11.569 -7.654 11.653 106 H LEU 13 HN LEU 13 10.105 -2.231 10.224 107 HA LEU 13 HA LEU 13 12.224 -1.878 8.188 108 1HB LEU 13 HB2 LEU 13 9.590 -0.401 8.356 109 2HB LEU 13 HB1 LEU 13 10.682 -0.514 6.980 110 HG LEU 13 HG LEU 13 9.041 -2.770 8.167 111 1HD1 LEU 13 HD11 LEU 13 7.928 -2.785 5.987 112 2HD1 LEU 13 HD12 LEU 13 8.970 -1.484 5.416 113 3HD1 LEU 13 HD13 LEU 13 7.801 -1.178 6.702 114 1HD2 LEU 13 HD21 LEU 13 9.975 -4.027 6.129 115 2HD2 LEU 13 HD22 LEU 13 11.089 -3.778 7.470 116 3HD2 LEU 13 HD23 LEU 13 11.195 -2.756 6.036 117 HA PRO 14 HA PRO 14 14.053 1.276 10.608 118 1HB PRO 14 HB2 PRO 14 14.173 3.350 8.568 119 2HB PRO 14 HB1 PRO 14 15.486 2.300 9.127 120 1HG PRO 14 HG2 PRO 14 13.849 2.087 6.710 121 2HG PRO 14 HG1 PRO 14 15.383 1.294 7.096 122 1HD PRO 14 HD2 PRO 14 12.936 -0.010 6.979 123 2HD PRO 14 HD1 PRO 14 14.337 -0.605 7.890 124 H ALA 15 HN ALA 15 13.654 3.088 11.748 125 HA ALA 15 HA ALA 15 11.033 3.700 12.432 126 1HB ALA 15 HB1 ALA 15 13.421 5.485 12.862 127 2HB ALA 15 HB2 ALA 15 13.084 4.040 13.814 128 3HB ALA 15 HB3 ALA 15 11.957 5.398 13.841 129 H GLY 16 HN GLY 16 10.846 4.090 9.716 130 1HA GLY 16 HA2 GLY 16 9.731 6.693 9.524 131 2HA GLY 16 HA1 GLY 16 11.273 6.684 8.728 132 H ALA 17 HN ALA 17 10.747 3.694 8.233 133 HA ALA 17 HA ALA 17 9.902 4.068 5.537 134 1HB ALA 17 HB1 ALA 17 10.882 1.799 7.185 135 2HB ALA 17 HB2 ALA 17 11.433 2.356 5.607 136 3HB ALA 17 HB3 ALA 17 9.964 1.388 5.734 137 H ILE 18 HN ILE 18 8.118 2.719 8.285 138 HA ILE 18 HA ILE 18 5.985 1.729 6.744 139 HB ILE 18 HB ILE 18 6.078 2.841 9.555 140 1HG1 ILE 18 HG12 ILE 18 7.277 0.626 8.791 141 2HG1 ILE 18 HG11 ILE 18 6.329 0.630 10.270 142 1HG2 ILE 18 HG21 ILE 18 3.861 1.574 9.792 143 2HG2 ILE 18 HG22 ILE 18 3.794 1.585 8.030 144 3HG2 ILE 18 HG23 ILE 18 3.806 3.107 8.920 145 1HD1 ILE 18 HD11 ILE 18 4.994 -0.114 7.683 146 2HD1 ILE 18 HD12 ILE 18 4.590 -0.601 9.326 147 3HD1 ILE 18 HD13 ILE 18 5.994 -1.299 8.521 148 H ASP 19 HN ASP 19 6.458 4.891 8.307 149 HA ASP 19 HA ASP 19 4.064 6.065 7.313 150 1HB ASP 19 HB2 ASP 19 6.672 7.265 8.282 151 2HB ASP 19 HB1 ASP 19 5.335 8.264 7.713 152 H ALA 20 HN ALA 20 7.300 5.806 5.891 153 HA ALA 20 HA ALA 20 6.680 7.524 3.731 154 1HB ALA 20 HB1 ALA 20 8.996 6.631 4.536 155 2HB ALA 20 HB2 ALA 20 8.742 6.930 2.816 156 3HB ALA 20 HB3 ALA 20 8.662 5.285 3.448 157 H LEU 21 HN LEU 21 6.405 4.011 4.133 158 HA LEU 21 HA LEU 21 5.685 3.338 1.528 159 1HB LEU 21 HB2 LEU 21 6.387 1.678 3.138 160 2HB LEU 21 HB1 LEU 21 5.053 2.091 4.207 161 HG LEU 21 HG LEU 21 3.468 1.322 2.463 162 1HD1 LEU 21 HD11 LEU 21 6.025 0.578 1.034 163 2HD1 LEU 21 HD12 LEU 21 4.701 1.569 0.418 164 3HD1 LEU 21 HD13 LEU 21 4.476 -0.163 0.646 165 1HD2 LEU 21 HD21 LEU 21 3.712 -0.986 2.949 166 2HD2 LEU 21 HD22 LEU 21 4.469 -0.161 4.310 167 3HD2 LEU 21 HD23 LEU 21 5.469 -0.859 3.036 168 H ALA 22 HN ALA 22 3.687 4.127 4.350 169 HA ALA 22 HA ALA 22 1.155 3.849 3.091 170 1HB ALA 22 HB1 ALA 22 0.259 4.946 4.981 171 2HB ALA 22 HB2 ALA 22 1.751 5.838 5.277 172 3HB ALA 22 HB3 ALA 22 1.677 4.108 5.613 173 H GLY 23 HN GLY 23 3.427 6.551 3.228 174 1HA GLY 23 HA2 GLY 23 1.636 8.414 1.982 175 2HA GLY 23 HA1 GLY 23 3.402 8.552 2.167 176 H GLU 24 HN GLU 24 4.255 6.317 0.680 177 HA GLU 24 HA GLU 24 3.917 7.314 -1.943 178 1HB GLU 24 HB2 GLU 24 5.856 5.826 -0.890 179 2HB GLU 24 HB1 GLU 24 4.865 4.489 -1.469 180 1HG GLU 24 HG2 GLU 24 5.880 6.791 -3.167 181 2HG GLU 24 HG1 GLU 24 6.516 5.147 -3.178 182 H LEU 25 HN LEU 25 2.437 4.592 -0.236 183 HA LEU 25 HA LEU 25 1.093 3.532 -2.485 184 1HB LEU 25 HB2 LEU 25 0.492 3.337 0.460 185 2HB LEU 25 HB1 LEU 25 -0.448 2.488 -0.762 186 HG LEU 25 HG LEU 25 2.563 2.220 -0.468 187 1HD1 LEU 25 HD11 LEU 25 1.327 1.421 1.547 188 2HD1 LEU 25 HD12 LEU 25 2.117 0.108 0.678 189 3HD1 LEU 25 HD13 LEU 25 0.379 0.356 0.513 190 1HD2 LEU 25 HD21 LEU 25 2.075 1.450 -2.633 191 2HD2 LEU 25 HD22 LEU 25 0.458 0.906 -2.189 192 3HD2 LEU 25 HD23 LEU 25 1.870 -0.030 -1.704 193 H SER 26 HN SER 26 0.064 5.968 -0.116 194 HA SER 26 HA SER 26 -2.616 6.172 -0.971 195 1HB SER 26 HB2 SER 26 -1.809 7.148 1.136 196 2HB SER 26 HB1 SER 26 -0.848 8.313 0.232 197 HG SER 26 HG SER 26 -2.609 9.395 -0.251 198 H ARG 27 HN ARG 27 0.288 7.992 -2.023 199 HA ARG 27 HA ARG 27 -1.098 9.700 -3.811 200 1HB ARG 27 HB2 ARG 27 1.743 8.646 -3.883 201 2HB ARG 27 HB1 ARG 27 1.119 9.854 -5.004 202 1HG ARG 27 HG2 ARG 27 0.578 11.338 -3.108 203 2HG ARG 27 HG1 ARG 27 1.209 10.131 -1.986 204 1HD ARG 27 HD2 ARG 27 3.418 10.268 -3.119 205 2HD ARG 27 HD1 ARG 27 2.779 11.528 -4.170 206 HE ARG 27 HE ARG 27 2.426 12.206 -1.415 207 1HH1 ARG 27 HH11 ARG 27 4.507 12.291 -4.165 208 2HH1 ARG 27 HH12 ARG 27 5.626 13.412 -3.463 209 1HH2 ARG 27 HH21 ARG 27 3.988 13.542 -0.408 210 2HH2 ARG 27 HH22 ARG 27 5.336 14.115 -1.334 211 H ARG 28 HN ARG 28 0.251 6.464 -4.192 212 HA ARG 28 HA ARG 28 -0.218 6.201 -6.960 213 1HB ARG 28 HB2 ARG 28 -0.032 4.174 -4.735 214 2HB ARG 28 HB1 ARG 28 -0.187 3.729 -6.427 215 1HG ARG 28 HG2 ARG 28 1.991 5.610 -5.515 216 2HG ARG 28 HG1 ARG 28 2.202 3.865 -5.401 217 1HD ARG 28 HD2 ARG 28 1.623 3.741 -7.876 218 2HD ARG 28 HD1 ARG 28 1.727 5.497 -7.909 219 HE ARG 28 HE ARG 28 4.082 4.477 -6.744 220 1HH1 ARG 28 HH21 ARG 28 3.774 2.542 -9.040 221 2HH1 ARG 28 HH22 ARG 28 4.601 3.365 -10.323 222 1HH2 ARG 28 HH11 ARG 28 4.576 6.442 -8.724 223 2HH2 ARG 28 HH12 ARG 28 5.056 5.570 -10.142 224 H ILE 29 HN ILE 29 -2.230 5.498 -4.132 225 HA ILE 29 HA ILE 29 -4.344 4.228 -5.506 226 HB ILE 29 HB ILE 29 -4.242 5.670 -2.856 227 1HG1 ILE 29 HG12 ILE 29 -2.995 3.423 -3.353 228 2HG1 ILE 29 HG11 ILE 29 -3.965 3.550 -1.894 229 1HG2 ILE 29 HG21 ILE 29 -6.430 4.408 -2.432 230 2HG2 ILE 29 HG22 ILE 29 -6.527 4.189 -4.179 231 3HG2 ILE 29 HG23 ILE 29 -6.536 5.813 -3.491 232 1HD1 ILE 29 HD11 ILE 29 -5.559 2.079 -2.654 233 2HD1 ILE 29 HD12 ILE 29 -4.187 1.469 -3.573 234 3HD1 ILE 29 HD13 ILE 29 -5.354 2.538 -4.342 235 H GLN 30 HN GLN 30 -3.881 7.576 -4.508 236 HA GLN 30 HA GLN 30 -6.389 8.574 -5.439 237 1HB GLN 30 HB2 GLN 30 -4.845 9.753 -3.838 238 2HB GLN 30 HB1 GLN 30 -3.767 10.072 -5.194 239 1HG GLN 30 HG2 GLN 30 -5.140 12.025 -4.902 240 2HG GLN 30 HG1 GLN 30 -5.711 11.210 -6.354 241 1HE2 GLN 30 HE21 GLN 30 -7.933 10.869 -6.427 242 2HE2 GLN 30 HE22 GLN 30 -8.954 10.834 -5.072 243 H TYR 31 HN TYR 31 -3.246 8.277 -7.139 244 HA TYR 31 HA TYR 31 -4.186 9.656 -9.427 245 1HB TYR 31 HB2 TYR 31 -1.771 9.286 -8.944 246 2HB TYR 31 HB1 TYR 31 -1.998 7.564 -9.240 247 HD1 TYR 31 HD1 TYR 31 -2.577 6.741 -11.513 248 HD2 TYR 31 HD2 TYR 31 -1.700 10.877 -10.754 249 HE1 TYR 31 HE1 TYR 31 -2.256 7.119 -13.944 250 HE2 TYR 31 HE2 TYR 31 -1.382 11.256 -13.184 251 HH TYR 31 HH TYR 31 -1.492 10.366 -15.210 252 H ALA 32 HN ALA 32 -4.198 6.245 -8.492 253 HA ALA 32 HA ALA 32 -5.154 5.277 -10.987 254 1HB ALA 32 HB1 ALA 32 -5.746 3.233 -9.584 255 2HB ALA 32 HB2 ALA 32 -5.089 4.120 -8.208 256 3HB ALA 32 HB3 ALA 32 -4.054 3.729 -9.581 257 H PHE 33 HN PHE 33 -6.722 6.281 -7.992 258 HA PHE 33 HA PHE 33 -9.403 5.945 -9.248 259 1HB PHE 33 HB2 PHE 33 -8.620 5.820 -6.330 260 2HB PHE 33 HB1 PHE 33 -10.262 5.710 -6.956 261 HD1 PHE 33 HD1 PHE 33 -6.971 4.035 -6.822 262 HD2 PHE 33 HD2 PHE 33 -11.066 3.718 -8.072 263 HE1 PHE 33 HE1 PHE 33 -6.652 1.613 -7.240 264 HE2 PHE 33 HE2 PHE 33 -10.748 1.292 -8.490 265 HZ PHE 33 HZ PHE 33 -8.540 0.242 -8.075 266 HA PRO 34 HA PRO 34 -8.794 10.473 -8.541 267 1HB PRO 34 HB2 PRO 34 -10.369 10.984 -10.920 268 2HB PRO 34 HB1 PRO 34 -8.644 11.277 -10.653 269 1HG PRO 34 HG2 PRO 34 -9.698 9.358 -12.356 270 2HG PRO 34 HG1 PRO 34 -8.046 9.367 -11.715 271 1HD PRO 34 HD2 PRO 34 -10.389 7.721 -10.861 272 2HD PRO 34 HD1 PRO 34 -8.653 7.340 -10.828 273 H ASP 35 HN ASP 35 -11.678 8.661 -9.294 274 HA ASP 35 HA ASP 35 -13.487 10.748 -8.331 275 1HB ASP 35 HB2 ASP 35 -15.258 9.274 -9.128 276 2HB ASP 35 HB1 ASP 35 -14.039 9.541 -10.372 277 H ASN 36 HN ASN 36 -11.862 8.146 -6.779 278 HA ASN 36 HA ASN 36 -14.070 7.970 -4.787 279 1HB ASN 36 HB2 ASN 36 -12.116 5.834 -5.596 280 2HB ASN 36 HB1 ASN 36 -13.315 5.691 -4.317 281 1HD2 ASN 36 HD21 ASN 36 -12.896 4.642 -7.348 282 2HD2 ASN 36 HD22 ASN 36 -14.485 4.719 -7.938 283 H GLU 37 HN GLU 37 -13.454 8.578 -2.620 284 HA GLU 37 HA GLU 37 -10.911 9.513 -1.954 285 1HB GLU 37 HB2 GLU 37 -13.074 9.998 -0.857 286 2HB GLU 37 HB1 GLU 37 -13.062 8.365 -0.195 287 1HG GLU 37 HG2 GLU 37 -12.157 9.828 1.489 288 2HG GLU 37 HG1 GLU 37 -10.813 8.896 0.838 289 H GLY 38 HN GLY 38 -9.099 8.287 -1.576 290 1HA GLY 38 HA2 GLY 38 -9.411 5.407 -0.825 291 2HA GLY 38 HA1 GLY 38 -8.073 5.934 -1.601 292 H HIS 39 HN HIS 39 -8.840 4.938 1.410 293 HA HIS 39 HA HIS 39 -6.938 6.820 2.674 294 1HB HIS 39 HB2 HIS 39 -9.098 5.118 3.952 295 2HB HIS 39 HB1 HIS 39 -7.956 6.139 4.826 296 HD1 HIS 39 HD1 HIS 39 -7.973 8.770 3.737 297 HD2 HIS 39 HD2 HIS 39 -11.446 6.478 3.499 298 HE1 HIS 39 HE1 HIS 39 -9.882 10.397 3.378 299 H VAL 40 HN VAL 40 -4.977 5.847 3.122 300 HA VAL 40 HA VAL 40 -4.863 2.911 3.147 301 HB VAL 40 HB VAL 40 -2.752 4.940 2.426 302 1HG1 VAL 40 HG11 VAL 40 -1.612 2.776 1.612 303 2HG1 VAL 40 HG12 VAL 40 -2.756 1.924 2.647 304 3HG1 VAL 40 HG13 VAL 40 -1.614 3.070 3.350 305 1HG2 VAL 40 HG21 VAL 40 -4.725 4.541 0.835 306 2HG2 VAL 40 HG22 VAL 40 -4.142 2.880 0.692 307 3HG2 VAL 40 HG23 VAL 40 -3.122 4.218 0.171 308 H SER 41 HN SER 41 -4.201 1.933 4.919 309 HA SER 41 HA SER 41 -2.718 3.476 6.971 310 1HB SER 41 HB2 SER 41 -4.983 1.514 7.424 311 2HB SER 41 HB1 SER 41 -3.895 2.042 8.704 312 HG SER 41 HG SER 41 -6.044 3.242 7.960 313 H VAL 42 HN VAL 42 -1.043 2.486 7.953 314 HA VAL 42 HA VAL 42 -0.479 -0.319 7.197 315 HB VAL 42 HB VAL 42 1.595 1.901 7.292 316 1HG1 VAL 42 HG11 VAL 42 1.719 -0.970 6.327 317 2HG1 VAL 42 HG12 VAL 42 2.464 -0.335 7.795 318 3HG1 VAL 42 HG13 VAL 42 3.034 0.199 6.214 319 1HG2 VAL 42 HG21 VAL 42 0.044 2.228 5.397 320 2HG2 VAL 42 HG22 VAL 42 0.336 0.571 4.875 321 3HG2 VAL 42 HG23 VAL 42 1.645 1.749 4.837 322 H ARG 43 HN ARG 43 -0.004 -1.570 8.849 323 HA ARG 43 HA ARG 43 1.213 -0.418 11.238 324 1HB ARG 43 HB2 ARG 43 -0.526 -1.307 12.739 325 2HB ARG 43 HB1 ARG 43 -1.178 -0.103 11.627 326 1HG ARG 43 HG2 ARG 43 -1.985 -1.924 10.147 327 2HG ARG 43 HG1 ARG 43 -1.378 -3.113 11.303 328 1HD ARG 43 HD2 ARG 43 -2.869 -2.252 13.031 329 2HD ARG 43 HD1 ARG 43 -3.421 -0.970 11.957 330 HE ARG 43 HE ARG 43 -4.836 -2.509 10.955 331 1HH1 ARG 43 HH21 ARG 43 -2.607 -4.071 13.075 332 2HH1 ARG 43 HH22 ARG 43 -3.163 -5.670 12.712 333 1HH2 ARG 43 HH11 ARG 43 -5.457 -4.621 10.332 334 2HH2 ARG 43 HH12 ARG 43 -4.776 -5.982 11.160 335 H TYR 44 HN TYR 44 1.886 -2.076 12.796 336 HA TYR 44 HA TYR 44 2.809 -4.507 11.448 337 1HB TYR 44 HB2 TYR 44 3.253 -3.394 14.238 338 2HB TYR 44 HB1 TYR 44 3.905 -4.931 13.690 339 HD1 TYR 44 HD1 TYR 44 5.117 -4.730 11.251 340 HD2 TYR 44 HD2 TYR 44 4.712 -1.573 14.142 341 HE1 TYR 44 HE1 TYR 44 7.075 -3.575 10.270 342 HE2 TYR 44 HE2 TYR 44 6.673 -0.423 13.161 343 HH TYR 44 HH TYR 44 7.865 -0.358 10.979 344 H ALA 45 HN ALA 45 2.142 -6.529 11.788 345 HA ALA 45 HA ALA 45 0.129 -7.076 13.855 346 1HB ALA 45 HB1 ALA 45 -1.107 -6.502 11.768 347 2HB ALA 45 HB2 ALA 45 -1.338 -8.182 12.251 348 3HB ALA 45 HB3 ALA 45 -0.238 -7.788 10.931 349 H ALA 46 HN ALA 46 -0.262 -9.539 13.935 350 HA ALA 46 HA ALA 46 2.248 -10.806 14.207 351 1HB ALA 46 HB1 ALA 46 0.248 -11.528 15.496 352 2HB ALA 46 HB2 ALA 46 0.972 -12.878 14.622 353 3HB ALA 46 HB3 ALA 46 -0.490 -12.108 14.003 354 H ALA 47 HN ALA 47 0.087 -10.569 11.457 355 HA ALA 47 HA ALA 47 2.106 -12.060 9.894 356 1HB ALA 47 HB1 ALA 47 -0.851 -12.521 9.517 357 2HB ALA 47 HB2 ALA 47 0.149 -13.540 10.551 358 3HB ALA 47 HB3 ALA 47 0.492 -13.431 8.826 359 H ASN 48 HN ASN 48 2.198 -11.598 7.665 360 HA ASN 48 HA ASN 48 1.506 -8.894 6.923 361 1HB ASN 48 HB2 ASN 48 2.543 -9.412 4.826 362 2HB ASN 48 HB1 ASN 48 3.519 -10.159 6.087 363 1HD2 ASN 48 HD21 ASN 48 3.251 -10.991 3.224 364 2HD2 ASN 48 HD22 ASN 48 2.700 -12.596 3.267 365 H ASN 49 HN ASN 49 -0.395 -8.228 6.015 366 HA ASN 49 HA ASN 49 -2.014 -10.073 4.430 367 1HB ASN 49 HB2 ASN 49 -3.091 -8.758 6.932 368 2HB ASN 49 HB1 ASN 49 -4.049 -9.628 5.740 369 1HD2 ASN 49 HD21 ASN 49 -2.550 -11.887 5.211 370 2HD2 ASN 49 HD22 ASN 49 -2.318 -12.788 6.631 371 H LEU 50 HN LEU 50 -3.506 -9.019 3.077 372 HA LEU 50 HA LEU 50 -3.411 -6.060 3.027 373 1HB LEU 50 HB2 LEU 50 -2.047 -7.018 1.180 374 2HB LEU 50 HB1 LEU 50 -3.429 -7.983 0.672 375 HG LEU 50 HG LEU 50 -4.722 -5.873 0.291 376 1HD1 LEU 50 HD11 LEU 50 -2.151 -4.650 1.235 377 2HD1 LEU 50 HD12 LEU 50 -3.816 -4.240 1.652 378 3HD1 LEU 50 HD13 LEU 50 -3.168 -3.785 0.080 379 1HD2 LEU 50 HD21 LEU 50 -3.655 -5.296 -1.793 380 2HD2 LEU 50 HD22 LEU 50 -3.387 -7.018 -1.530 381 3HD2 LEU 50 HD23 LEU 50 -2.091 -5.864 -1.214 382 H SER 51 HN SER 51 -5.482 -5.265 3.324 383 HA SER 51 HA SER 51 -7.754 -6.986 2.487 384 1HB SER 51 HB2 SER 51 -7.574 -6.871 4.927 385 2HB SER 51 HB1 SER 51 -7.561 -5.111 4.856 386 HG SER 51 HG SER 51 -9.643 -6.856 4.710 387 H VAL 52 HN VAL 52 -9.136 -6.020 1.069 388 HA VAL 52 HA VAL 52 -9.090 -3.079 0.826 389 HB VAL 52 HB VAL 52 -9.404 -5.091 -1.412 390 1HG1 VAL 52 HG11 VAL 52 -9.562 -2.068 -1.299 391 2HG1 VAL 52 HG12 VAL 52 -10.795 -3.187 -1.878 392 3HG1 VAL 52 HG13 VAL 52 -9.312 -2.953 -2.802 393 1HG2 VAL 52 HG21 VAL 52 -7.203 -3.120 -0.724 394 2HG2 VAL 52 HG22 VAL 52 -7.290 -4.037 -2.228 395 3HG2 VAL 52 HG23 VAL 52 -7.080 -4.879 -0.692 396 H ILE 53 HN ILE 53 -11.066 -2.183 1.178 397 HA ILE 53 HA ILE 53 -13.470 -3.917 0.915 398 HB ILE 53 HB ILE 53 -12.961 -1.665 2.875 399 1HG1 ILE 53 HG12 ILE 53 -13.400 -4.595 3.507 400 2HG1 ILE 53 HG11 ILE 53 -11.783 -3.952 3.210 401 1HG2 ILE 53 HG21 ILE 53 -15.337 -3.470 2.359 402 2HG2 ILE 53 HG22 ILE 53 -15.294 -1.708 2.314 403 3HG2 ILE 53 HG23 ILE 53 -15.135 -2.556 3.853 404 1HD1 ILE 53 HD11 ILE 53 -12.462 -3.989 5.642 405 2HD1 ILE 53 HD12 ILE 53 -13.689 -2.786 5.249 406 3HD1 ILE 53 HD13 ILE 53 -11.981 -2.402 5.040 407 H GLY 54 HN GLY 54 -14.974 -3.240 -0.490 408 1HA GLY 54 HA2 GLY 54 -16.422 -1.620 -1.451 409 2HA GLY 54 HA1 GLY 54 -15.256 -0.367 -1.036 410 H ALA 55 HN ALA 55 -13.891 -3.161 -2.558 411 HA ALA 55 HA ALA 55 -13.816 -1.687 -5.137 412 1HB ALA 55 HB1 ALA 55 -11.589 -3.433 -4.076 413 2HB ALA 55 HB2 ALA 55 -11.654 -1.692 -3.800 414 3HB ALA 55 HB3 ALA 55 -11.536 -2.322 -5.444 415 H THR 56 HN THR 56 -13.370 -2.928 -7.015 416 HA THR 56 HA THR 56 -14.850 -5.480 -7.226 417 HB THR 56 HB THR 56 -14.710 -5.026 -9.569 418 HG1 THR 56 HG1 THR 56 -12.921 -3.005 -8.732 419 1HG2 THR 56 HG21 THR 56 -15.317 -2.487 -8.028 420 2HG2 THR 56 HG22 THR 56 -16.449 -3.804 -8.337 421 3HG2 THR 56 HG23 THR 56 -15.844 -2.827 -9.676 422 H LYS 57 HN LYS 57 -13.952 -7.237 -8.274 423 HA LYS 57 HA LYS 57 -11.477 -8.075 -7.335 424 1HB LYS 57 HB2 LYS 57 -12.971 -9.035 -9.799 425 2HB LYS 57 HB1 LYS 57 -11.700 -9.923 -8.968 426 1HG LYS 57 HG2 LYS 57 -13.115 -10.037 -6.925 427 2HG LYS 57 HG1 LYS 57 -14.384 -9.143 -7.768 428 1HD LYS 57 HD2 LYS 57 -14.530 -10.938 -9.450 429 2HD LYS 57 HD1 LYS 57 -13.258 -11.828 -8.612 430 1HE LYS 57 HE2 LYS 57 -14.669 -11.961 -6.596 431 2HE LYS 57 HE1 LYS 57 -15.941 -11.062 -7.422 432 1HZ LYS 57 HZ1 LYS 57 -16.612 -12.885 -8.469 433 2HZ LYS 57 HZ2 LYS 57 -15.604 -13.775 -7.431 434 3HZ LYS 57 HZ3 LYS 57 -15.039 -13.290 -8.957 435 H GLU 58 HN GLU 58 -12.224 -6.570 -10.526 436 HA GLU 58 HA GLU 58 -9.601 -6.962 -11.571 437 1HB GLU 58 HB2 GLU 58 -11.645 -6.417 -12.936 438 2HB GLU 58 HB1 GLU 58 -11.581 -4.784 -12.271 439 1HG GLU 58 HG2 GLU 58 -9.298 -4.504 -13.163 440 2HG GLU 58 HG1 GLU 58 -9.356 -6.135 -13.828 441 H ASP 59 HN ASP 59 -11.129 -4.414 -9.654 442 HA ASP 59 HA ASP 59 -9.019 -2.548 -9.857 443 1HB ASP 59 HB2 ASP 59 -11.161 -2.968 -7.767 444 2HB ASP 59 HB1 ASP 59 -10.016 -1.629 -7.717 445 H LYS 60 HN LYS 60 -9.816 -5.118 -7.584 446 HA LYS 60 HA LYS 60 -7.637 -4.708 -5.813 447 1HB LYS 60 HB2 LYS 60 -9.291 -7.171 -6.439 448 2HB LYS 60 HB1 LYS 60 -8.078 -7.119 -5.162 449 1HG LYS 60 HG2 LYS 60 -9.290 -5.257 -4.085 450 2HG LYS 60 HG1 LYS 60 -10.509 -5.316 -5.361 451 1HD LYS 60 HD2 LYS 60 -10.929 -7.718 -4.753 452 2HD LYS 60 HD1 LYS 60 -9.849 -7.506 -3.377 453 1HE LYS 60 HE2 LYS 60 -11.313 -5.631 -2.588 454 2HE LYS 60 HE1 LYS 60 -12.429 -6.006 -3.897 455 1HZ LYS 60 HZ1 LYS 60 -13.271 -7.666 -2.727 456 2HZ LYS 60 HZ2 LYS 60 -12.325 -7.179 -1.402 457 3HZ LYS 60 HZ3 LYS 60 -11.740 -8.354 -2.481 458 H GLN 61 HN GLN 61 -7.849 -6.674 -8.788 459 HA GLN 61 HA GLN 61 -5.281 -7.855 -8.421 460 1HB GLN 61 HB2 GLN 61 -6.942 -8.716 -10.062 461 2HB GLN 61 HB1 GLN 61 -6.766 -7.232 -10.997 462 1HG GLN 61 HG2 GLN 61 -4.390 -7.712 -11.362 463 2HG GLN 61 HG1 GLN 61 -4.516 -9.165 -10.372 464 1HE2 GLN 61 HE21 GLN 61 -3.660 -9.465 -13.020 465 2HE2 GLN 61 HE22 GLN 61 -4.884 -10.205 -13.934 466 H ARG 62 HN ARG 62 -6.432 -4.872 -10.030 467 HA ARG 62 HA ARG 62 -3.937 -4.095 -11.033 468 1HB ARG 62 HB2 ARG 62 -6.034 -3.021 -11.766 469 2HB ARG 62 HB1 ARG 62 -6.267 -2.355 -10.151 470 1HG ARG 62 HG2 ARG 62 -4.253 -1.005 -10.359 471 2HG ARG 62 HG1 ARG 62 -3.866 -1.751 -11.909 472 1HD ARG 62 HD2 ARG 62 -4.907 0.429 -12.274 473 2HD ARG 62 HD1 ARG 62 -5.970 -0.851 -12.853 474 HE ARG 62 HE ARG 62 -6.521 -0.093 -10.129 475 1HH1 ARG 62 HH11 ARG 62 -6.549 1.755 -12.928 476 2HH1 ARG 62 HH12 ARG 62 -8.243 2.112 -12.903 477 1HH2 ARG 62 HH21 ARG 62 -8.940 -0.099 -10.324 478 2HH2 ARG 62 HH22 ARG 62 -9.597 1.064 -11.426 479 H ILE 63 HN ILE 63 -5.506 -3.348 -7.954 480 HA ILE 63 HA ILE 63 -3.445 -1.697 -6.967 481 HB ILE 63 HB ILE 63 -5.468 -3.393 -5.528 482 1HG1 ILE 63 HG12 ILE 63 -5.303 -0.385 -5.742 483 2HG1 ILE 63 HG11 ILE 63 -6.183 -1.368 -6.912 484 1HG2 ILE 63 HG21 ILE 63 -3.667 -3.145 -3.964 485 2HG2 ILE 63 HG22 ILE 63 -4.878 -1.940 -3.528 486 3HG2 ILE 63 HG23 ILE 63 -3.434 -1.455 -4.416 487 1HD1 ILE 63 HD11 ILE 63 -7.542 -0.419 -4.945 488 2HD1 ILE 63 HD12 ILE 63 -6.697 -1.599 -3.944 489 3HD1 ILE 63 HD13 ILE 63 -7.717 -2.143 -5.274 490 H SER 64 HN SER 64 -3.849 -5.201 -6.731 491 HA SER 64 HA SER 64 -1.554 -5.637 -5.107 492 1HB SER 64 HB2 SER 64 -2.762 -7.434 -7.231 493 2HB SER 64 HB1 SER 64 -1.568 -7.938 -6.038 494 HG SER 64 HG SER 64 -4.203 -7.801 -5.779 495 H GLU 65 HN GLU 65 -1.962 -5.294 -8.688 496 HA GLU 65 HA GLU 65 0.742 -5.857 -9.299 497 1HB GLU 65 HB2 GLU 65 -1.336 -4.208 -10.770 498 2HB GLU 65 HB1 GLU 65 0.265 -4.559 -11.419 499 1HG GLU 65 HG2 GLU 65 -0.186 -6.978 -11.238 500 2HG GLU 65 HG1 GLU 65 -1.787 -6.629 -10.592 501 H ILE 66 HN ILE 66 -0.940 -2.845 -8.511 502 HA ILE 66 HA ILE 66 1.211 -1.097 -8.954 503 HB ILE 66 HB ILE 66 -1.155 -0.919 -7.083 504 1HG1 ILE 66 HG12 ILE 66 -0.494 0.457 -9.710 505 2HG1 ILE 66 HG11 ILE 66 -1.547 -0.947 -9.558 506 1HG2 ILE 66 HG21 ILE 66 -0.552 1.561 -7.071 507 2HG2 ILE 66 HG22 ILE 66 1.020 1.096 -7.711 508 3HG2 ILE 66 HG23 ILE 66 0.508 0.527 -6.122 509 1HD1 ILE 66 HD11 ILE 66 -2.003 1.731 -8.209 510 2HD1 ILE 66 HD12 ILE 66 -3.070 0.331 -8.110 511 3HD1 ILE 66 HD13 ILE 66 -2.846 1.161 -9.650 512 H LEU 67 HN LEU 67 0.215 -2.812 -6.017 513 HA LEU 67 HA LEU 67 2.205 -1.770 -4.310 514 1HB LEU 67 HB2 LEU 67 0.386 -2.973 -3.292 515 2HB LEU 67 HB1 LEU 67 0.662 -4.380 -4.306 516 HG LEU 67 HG LEU 67 2.918 -4.667 -3.146 517 1HD1 LEU 67 HD11 LEU 67 2.906 -3.547 -0.802 518 2HD1 LEU 67 HD12 LEU 67 1.775 -2.396 -1.510 519 3HD1 LEU 67 HD13 LEU 67 3.400 -2.563 -2.176 520 1HD2 LEU 67 HD21 LEU 67 0.354 -4.789 -1.537 521 2HD2 LEU 67 HD22 LEU 67 1.864 -5.555 -1.044 522 3HD2 LEU 67 HD23 LEU 67 1.057 -6.070 -2.525 523 H GLN 68 HN GLN 68 2.189 -4.553 -6.485 524 HA GLN 68 HA GLN 68 4.772 -5.498 -5.770 525 1HB GLN 68 HB2 GLN 68 3.178 -5.742 -8.328 526 2HB GLN 68 HB1 GLN 68 4.729 -6.541 -8.067 527 1HG GLN 68 HG2 GLN 68 3.842 -7.749 -6.156 528 2HG GLN 68 HG1 GLN 68 2.320 -6.869 -6.260 529 1HE2 GLN 68 HE21 GLN 68 2.788 -9.827 -6.539 530 2HE2 GLN 68 HE22 GLN 68 2.177 -10.234 -8.069 531 H GLU 69 HN GLU 69 3.788 -3.301 -8.456 532 HA GLU 69 HA GLU 69 6.380 -2.887 -9.394 533 1HB GLU 69 HB2 GLU 69 3.904 -1.161 -9.516 534 2HB GLU 69 HB1 GLU 69 5.396 -0.774 -10.376 535 1HG GLU 69 HG2 GLU 69 5.301 -2.928 -11.551 536 2HG GLU 69 HG1 GLU 69 3.836 -3.358 -10.670 537 H THR 70 HN THR 70 4.574 -0.953 -6.990 538 HA THR 70 HA THR 70 6.511 1.052 -6.656 539 HB THR 70 HB THR 70 4.590 -0.058 -4.639 540 HG1 THR 70 HG1 THR 70 3.285 0.768 -6.078 541 1HG2 THR 70 HG21 THR 70 6.130 2.539 -4.748 542 2HG2 THR 70 HG22 THR 70 6.301 1.266 -3.539 543 3HG2 THR 70 HG23 THR 70 4.816 2.213 -3.618 544 H TRP 71 HN TRP 71 5.965 -1.943 -4.943 545 HA TRP 71 HA TRP 71 8.035 -1.791 -3.120 546 1HB TRP 71 HB2 TRP 71 6.084 -3.301 -3.050 547 2HB TRP 71 HB1 TRP 71 6.781 -4.214 -4.376 548 HD1 TRP 71 HD1 TRP 71 7.571 -6.404 -3.419 549 HE1 TRP 71 HE1 TRP 71 8.956 -7.172 -1.394 550 HE3 TRP 71 HE3 TRP 71 8.150 -1.935 -0.928 551 HZ2 TRP 71 HZ2 TRP 71 10.129 -6.081 0.955 552 HZ3 TRP 71 HZ3 TRP 71 9.396 -1.863 1.199 553 HH2 TRP 71 HH2 TRP 71 10.380 -3.924 2.150 554 H GLU 72 HN GLU 72 8.019 -3.037 -6.394 555 HA GLU 72 HA GLU 72 10.722 -3.958 -6.303 556 1HB GLU 72 HB2 GLU 72 8.829 -3.474 -8.610 557 2HB GLU 72 HB1 GLU 72 10.467 -4.092 -8.830 558 1HG GLU 72 HG2 GLU 72 8.434 -5.384 -6.998 559 2HG GLU 72 HG1 GLU 72 8.677 -5.874 -8.674 560 H SER 73 HN SER 73 9.375 -0.794 -6.746 561 HA SER 73 HA SER 73 11.908 0.118 -7.988 562 1HB SER 73 HB2 SER 73 9.153 1.344 -7.912 563 2HB SER 73 HB1 SER 73 10.581 2.222 -8.457 564 HG SER 73 HG SER 73 9.128 0.260 -9.686 565 H ALA 74 HN ALA 74 11.291 -0.483 -5.062 566 HA ALA 74 HA ALA 74 11.044 1.674 -3.453 567 1HB ALA 74 HB1 ALA 74 12.871 -0.676 -3.033 568 2HB ALA 74 HB2 ALA 74 11.133 -0.652 -2.731 569 3HB ALA 74 HB3 ALA 74 12.208 0.375 -1.782 570 H ASP 75 HN ASP 75 14.074 0.696 -5.008 571 HA ASP 75 HA ASP 75 15.778 2.339 -3.467 572 1HB ASP 75 HB2 ASP 75 17.386 2.034 -5.302 573 2HB ASP 75 HB1 ASP 75 16.613 0.515 -4.853 574 H ASP 76 HN ASP 76 13.549 3.186 -5.990 575 HA ASP 76 HA ASP 76 14.922 5.725 -6.585 576 1HB ASP 76 HB2 ASP 76 12.494 4.362 -7.738 577 2HB ASP 76 HB1 ASP 76 13.007 5.984 -8.199 578 H TRP 77 HN TRP 77 11.744 4.701 -5.241 579 HA TRP 77 HA TRP 77 11.155 7.520 -4.655 580 1HB TRP 77 HB2 TRP 77 8.955 6.889 -4.204 581 2HB TRP 77 HB1 TRP 77 9.446 5.925 -5.581 582 HD1 TRP 77 HD1 TRP 77 9.442 3.314 -5.301 583 HE1 TRP 77 HE1 TRP 77 8.778 1.722 -3.417 584 HE3 TRP 77 HE3 TRP 77 9.007 6.637 -1.348 585 HZ2 TRP 77 HZ2 TRP 77 8.158 1.791 -0.658 586 HZ3 TRP 77 HZ3 TRP 77 8.375 5.787 0.855 587 HH2 TRP 77 HH2 TRP 77 7.956 3.395 1.213 588 H PHE 78 HN PHE 78 12.391 4.799 -2.864 589 HA PHE 78 HA PHE 78 11.578 6.017 -0.312 590 1HB PHE 78 HB2 PHE 78 11.548 3.576 -0.392 591 2HB PHE 78 HB1 PHE 78 13.239 3.553 -0.876 592 HD1 PHE 78 HD1 PHE 78 11.123 5.138 1.807 593 HD2 PHE 78 HD2 PHE 78 14.827 3.154 0.838 594 HE1 PHE 78 HE1 PHE 78 11.818 5.247 4.179 595 HE2 PHE 78 HE2 PHE 78 15.500 3.267 3.212 596 HZ PHE 78 HZ PHE 78 14.000 4.312 4.885 597 H VAL 79 HN VAL 79 12.719 7.429 0.735 598 HA VAL 79 HA VAL 79 15.590 7.770 0.091 599 HB VAL 79 HB VAL 79 13.915 9.980 1.275 600 1HG1 VAL 79 HG11 VAL 79 16.431 10.090 0.852 601 2HG1 VAL 79 HG12 VAL 79 15.477 11.393 0.142 602 3HG1 VAL 79 HG13 VAL 79 16.050 10.068 -0.870 603 1HG2 VAL 79 HG21 VAL 79 13.306 10.695 -1.057 604 2HG2 VAL 79 HG22 VAL 79 12.486 9.215 -0.546 605 3HG2 VAL 79 HG23 VAL 79 13.869 9.130 -1.641 606 H SER 80 HN SER 80 16.989 8.168 1.977 607 HA SER 80 HA SER 80 15.673 7.815 4.602 608 1HB SER 80 HB2 SER 80 16.605 5.602 3.715 609 2HB SER 80 HB1 SER 80 18.203 6.332 3.852 610 HG SER 80 HG SER 80 16.319 6.271 5.968 611 H GLU 81 HN GLU 81 16.525 9.018 6.188 612 HA GLU 81 HA GLU 81 18.283 11.154 5.503 613 1HB GLU 81 HB2 GLU 81 17.219 10.170 8.159 614 2HB GLU 81 HB1 GLU 81 18.198 11.625 7.978 615 1HG GLU 81 HG2 GLU 81 15.897 12.320 7.935 616 2HG GLU 81 HG1 GLU 81 16.502 12.442 6.285 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -12.984 4.591 -0.711 2 2H MET 1 HT2 MET 1 -14.425 3.827 -0.235 3 3H MET 1 HT3 MET 1 -13.953 3.816 -1.867 4 HA MET 1 HA MET 1 -13.560 1.719 -0.427 5 1HB MET 1 HB2 MET 1 -11.411 2.952 -2.168 6 2HB MET 1 HB1 MET 1 -11.498 1.251 -1.726 7 1HG MET 1 HG2 MET 1 -13.868 1.303 -2.743 8 2HG MET 1 HG1 MET 1 -13.378 2.825 -3.483 9 1HE MET 1 HE1 MET 1 -10.177 1.845 -5.437 10 2HE MET 1 HE2 MET 1 -10.010 1.809 -3.682 11 3HE MET 1 HE3 MET 1 -10.981 3.069 -4.446 12 H ARG 2 HN ARG 2 -12.196 0.826 1.110 13 HA ARG 2 HA ARG 2 -10.220 2.645 2.371 14 1HB ARG 2 HB2 ARG 2 -12.105 0.662 3.680 15 2HB ARG 2 HB1 ARG 2 -10.726 1.382 4.514 16 1HG ARG 2 HG2 ARG 2 -11.622 3.635 4.063 17 2HG ARG 2 HG1 ARG 2 -13.005 2.920 3.232 18 1HD ARG 2 HD2 ARG 2 -13.645 1.751 5.307 19 2HD ARG 2 HD1 ARG 2 -12.269 2.471 6.138 20 HE ARG 2 HE ARG 2 -13.587 4.645 5.194 21 1HH1 ARG 2 HH11 ARG 2 -14.317 1.940 7.202 22 2HH1 ARG 2 HH12 ARG 2 -15.714 2.666 7.922 23 1HH2 ARG 2 HH21 ARG 2 -15.524 5.552 6.007 24 2HH2 ARG 2 HH22 ARG 2 -16.399 4.712 7.244 25 H ILE 3 HN ILE 3 -8.227 1.876 2.494 26 HA ILE 3 HA ILE 3 -7.746 -0.975 1.789 27 HB ILE 3 HB ILE 3 -6.108 1.495 1.192 28 1HG1 ILE 3 HG12 ILE 3 -7.399 -0.361 -0.815 29 2HG1 ILE 3 HG11 ILE 3 -8.339 0.939 -0.089 30 1HG2 ILE 3 HG21 ILE 3 -5.634 -1.455 0.755 31 2HG2 ILE 3 HG22 ILE 3 -4.544 -0.257 1.451 32 3HG2 ILE 3 HG23 ILE 3 -4.878 -0.243 -0.281 33 1HD1 ILE 3 HD11 ILE 3 -6.915 2.615 -0.975 34 2HD1 ILE 3 HD12 ILE 3 -7.151 1.474 -2.298 35 3HD1 ILE 3 HD13 ILE 3 -5.653 1.447 -1.364 36 H GLU 4 HN GLU 4 -6.761 -2.106 3.374 37 HA GLU 4 HA GLU 4 -5.065 -0.655 5.350 38 1HB GLU 4 HB2 GLU 4 -7.193 -1.359 6.379 39 2HB GLU 4 HB1 GLU 4 -6.888 -3.023 5.889 40 1HG GLU 4 HG2 GLU 4 -4.835 -3.058 7.264 41 2HG GLU 4 HG1 GLU 4 -5.126 -1.387 7.743 42 H VAL 5 HN VAL 5 -3.074 -1.332 5.519 43 HA VAL 5 HA VAL 5 -2.346 -4.012 4.436 44 HB VAL 5 HB VAL 5 -0.571 -1.576 4.527 45 1HG1 VAL 5 HG11 VAL 5 0.464 -3.873 4.421 46 2HG1 VAL 5 HG12 VAL 5 0.837 -2.858 3.029 47 3HG1 VAL 5 HG13 VAL 5 -0.385 -4.125 2.896 48 1HG2 VAL 5 HG21 VAL 5 -1.046 -1.657 1.959 49 2HG2 VAL 5 HG22 VAL 5 -2.250 -0.913 3.008 50 3HG2 VAL 5 HG23 VAL 5 -2.495 -2.552 2.414 51 H THR 6 HN THR 6 -1.237 -5.354 5.718 52 HA THR 6 HA THR 6 -0.157 -4.284 8.269 53 HB THR 6 HB THR 6 -0.703 -6.582 9.187 54 HG1 THR 6 HG1 THR 6 -2.619 -7.388 7.879 55 1HG2 THR 6 HG21 THR 6 -3.037 -5.965 9.631 56 2HG2 THR 6 HG22 THR 6 -3.018 -4.853 8.261 57 3HG2 THR 6 HG23 THR 6 -2.018 -4.525 9.677 58 H ILE 7 HN ILE 7 1.819 -4.800 8.757 59 HA ILE 7 HA ILE 7 3.329 -6.646 6.995 60 HB ILE 7 HB ILE 7 4.033 -4.084 8.413 61 1HG1 ILE 7 HG12 ILE 7 4.594 -4.895 5.550 62 2HG1 ILE 7 HG11 ILE 7 3.044 -4.202 6.025 63 1HG2 ILE 7 HG21 ILE 7 5.918 -5.464 8.913 64 2HG2 ILE 7 HG22 ILE 7 6.395 -4.579 7.464 65 3HG2 ILE 7 HG23 ILE 7 5.858 -6.257 7.339 66 1HD1 ILE 7 HD11 ILE 7 4.909 -2.593 5.181 67 2HD1 ILE 7 HD12 ILE 7 5.624 -2.830 6.775 68 3HD1 ILE 7 HD13 ILE 7 4.005 -2.143 6.627 69 H ALA 8 HN ALA 8 4.325 -8.351 7.963 70 HA ALA 8 HA ALA 8 3.765 -8.999 10.649 71 1HB ALA 8 HB1 ALA 8 5.838 -10.098 8.742 72 2HB ALA 8 HB2 ALA 8 4.203 -10.713 8.979 73 3HB ALA 8 HB3 ALA 8 5.391 -10.844 10.277 74 H LYS 9 HN LYS 9 4.740 -8.598 12.391 75 HA LYS 9 HA LYS 9 6.710 -6.642 12.685 76 1HB LYS 9 HB2 LYS 9 5.090 -7.159 14.467 77 2HB LYS 9 HB1 LYS 9 5.808 -8.746 14.673 78 1HG LYS 9 HG2 LYS 9 6.669 -7.352 16.431 79 2HG LYS 9 HG1 LYS 9 7.983 -7.585 15.289 80 1HD LYS 9 HD2 LYS 9 7.653 -5.389 14.350 81 2HD LYS 9 HD1 LYS 9 6.148 -5.173 15.247 82 1HE LYS 9 HE2 LYS 9 8.038 -3.980 16.325 83 2HE LYS 9 HE1 LYS 9 7.393 -5.251 17.366 84 1HZ LYS 9 HZ1 LYS 9 9.979 -4.984 16.768 85 2HZ LYS 9 HZ2 LYS 9 9.500 -6.077 15.559 86 3HZ LYS 9 HZ3 LYS 9 9.258 -6.457 17.198 87 H THR 10 HN THR 10 7.049 -10.041 12.146 88 HA THR 10 HA THR 10 9.657 -10.419 13.161 89 HB THR 10 HB THR 10 9.725 -12.234 11.364 90 HG1 THR 10 HG1 THR 10 6.995 -11.895 11.068 91 1HG2 THR 10 HG21 THR 10 9.082 -12.907 13.539 92 2HG2 THR 10 HG22 THR 10 7.785 -13.495 12.499 93 3HG2 THR 10 HG23 THR 10 7.555 -12.030 13.452 94 H SER 11 HN SER 11 8.478 -8.462 10.640 95 HA SER 11 HA SER 11 11.203 -8.219 9.468 96 1HB SER 11 HB2 SER 11 9.554 -9.263 7.910 97 2HB SER 11 HB1 SER 11 8.572 -7.804 8.028 98 HG SER 11 HG SER 11 11.150 -7.189 7.536 99 HA PRO 12 HA PRO 12 9.938 -4.047 11.139 100 1HB PRO 12 HB2 PRO 12 12.589 -3.803 12.250 101 2HB PRO 12 HB1 PRO 12 11.065 -3.987 13.136 102 1HG PRO 12 HG2 PRO 12 13.099 -5.877 13.033 103 2HG PRO 12 HG1 PRO 12 11.421 -6.199 13.501 104 1HD PRO 12 HD2 PRO 12 12.797 -6.781 10.910 105 2HD PRO 12 HD1 PRO 12 11.469 -7.642 11.708 106 H LEU 13 HN LEU 13 10.041 -2.247 10.152 107 HA LEU 13 HA LEU 13 12.152 -1.905 8.109 108 1HB LEU 13 HB2 LEU 13 9.570 -0.348 8.332 109 2HB LEU 13 HB1 LEU 13 10.627 -0.504 6.932 110 HG LEU 13 HG LEU 13 8.923 -2.693 8.166 111 1HD1 LEU 13 HD11 LEU 13 8.828 -1.310 5.463 112 2HD1 LEU 13 HD12 LEU 13 7.645 -1.145 6.762 113 3HD1 LEU 13 HD13 LEU 13 7.832 -2.687 5.929 114 1HD2 LEU 13 HD21 LEU 13 9.752 -4.013 6.140 115 2HD2 LEU 13 HD22 LEU 13 10.932 -3.767 7.424 116 3HD2 LEU 13 HD23 LEU 13 11.003 -2.783 5.962 117 HA PRO 14 HA PRO 14 14.052 1.189 10.564 118 1HB PRO 14 HB2 PRO 14 14.201 3.275 8.541 119 2HB PRO 14 HB1 PRO 14 15.499 2.205 9.095 120 1HG PRO 14 HG2 PRO 14 13.878 2.035 6.668 121 2HG PRO 14 HG1 PRO 14 15.387 1.202 7.066 122 1HD PRO 14 HD2 PRO 14 12.899 -0.033 6.922 123 2HD PRO 14 HD1 PRO 14 14.287 -0.679 7.819 124 H ALA 15 HN ALA 15 13.647 2.970 11.743 125 HA ALA 15 HA ALA 15 11.029 3.580 12.416 126 1HB ALA 15 HB1 ALA 15 11.940 5.209 13.889 127 2HB ALA 15 HB2 ALA 15 13.400 5.365 12.910 128 3HB ALA 15 HB3 ALA 15 13.090 3.875 13.800 129 H GLY 16 HN GLY 16 10.856 4.068 9.689 130 1HA GLY 16 HA2 GLY 16 9.734 6.679 9.607 131 2HA GLY 16 HA1 GLY 16 11.279 6.711 8.822 132 H ALA 17 HN ALA 17 10.781 3.764 8.143 133 HA ALA 17 HA ALA 17 9.948 4.289 5.477 134 1HB ALA 17 HB1 ALA 17 11.492 2.574 5.491 135 2HB ALA 17 HB2 ALA 17 10.010 1.619 5.467 136 3HB ALA 17 HB3 ALA 17 10.865 1.886 6.986 137 H ILE 18 HN ILE 18 8.151 2.792 8.129 138 HA ILE 18 HA ILE 18 6.039 1.873 6.517 139 HB ILE 18 HB ILE 18 6.089 2.771 9.396 140 1HG1 ILE 18 HG12 ILE 18 5.878 0.045 8.079 141 2HG1 ILE 18 HG11 ILE 18 7.384 0.745 8.667 142 1HG2 ILE 18 HG21 ILE 18 3.806 3.060 8.739 143 2HG2 ILE 18 HG22 ILE 18 3.869 1.448 9.448 144 3HG2 ILE 18 HG23 ILE 18 3.851 1.639 7.697 145 1HD1 ILE 18 HD11 ILE 18 6.645 0.712 10.913 146 2HD1 ILE 18 HD12 ILE 18 6.169 -0.845 10.242 147 3HD1 ILE 18 HD13 ILE 18 4.973 0.423 10.444 148 H ASP 19 HN ASP 19 6.462 4.981 8.218 149 HA ASP 19 HA ASP 19 4.042 6.139 7.241 150 1HB ASP 19 HB2 ASP 19 5.402 7.127 9.134 151 2HB ASP 19 HB1 ASP 19 6.610 7.605 7.943 152 H ALA 20 HN ALA 20 7.287 5.918 5.874 153 HA ALA 20 HA ALA 20 6.699 7.638 3.718 154 1HB ALA 20 HB1 ALA 20 8.780 7.050 2.849 155 2HB ALA 20 HB2 ALA 20 8.664 5.386 3.421 156 3HB ALA 20 HB3 ALA 20 9.003 6.685 4.560 157 H LEU 21 HN LEU 21 6.381 4.156 4.167 158 HA LEU 21 HA LEU 21 5.676 3.451 1.567 159 1HB LEU 21 HB2 LEU 21 6.385 1.797 3.155 160 2HB LEU 21 HB1 LEU 21 5.097 2.232 4.271 161 HG LEU 21 HG LEU 21 3.441 1.444 2.619 162 1HD1 LEU 21 HD11 LEU 21 5.933 0.709 1.073 163 2HD1 LEU 21 HD12 LEU 21 4.582 1.699 0.521 164 3HD1 LEU 21 HD13 LEU 21 4.368 -0.032 0.755 165 1HD2 LEU 21 HD21 LEU 21 4.389 -0.033 4.404 166 2HD2 LEU 21 HD22 LEU 21 5.547 -0.637 3.220 167 3HD2 LEU 21 HD23 LEU 21 3.822 -0.916 2.989 168 H ALA 22 HN ALA 22 3.657 4.252 4.374 169 HA ALA 22 HA ALA 22 1.136 3.952 3.093 170 1HB ALA 22 HB1 ALA 22 1.169 4.108 5.496 171 2HB ALA 22 HB2 ALA 22 0.357 5.555 4.896 172 3HB ALA 22 HB3 ALA 22 2.032 5.646 5.439 173 H GLY 23 HN GLY 23 3.388 6.674 3.241 174 1HA GLY 23 HA2 GLY 23 1.617 8.507 1.936 175 2HA GLY 23 HA1 GLY 23 3.379 8.650 2.137 176 H GLU 24 HN GLU 24 4.261 6.407 0.690 177 HA GLU 24 HA GLU 24 3.949 7.359 -1.951 178 1HB GLU 24 HB2 GLU 24 5.977 6.121 -1.167 179 2HB GLU 24 HB1 GLU 24 5.015 4.653 -1.036 180 1HG GLU 24 HG2 GLU 24 6.166 4.562 -3.148 181 2HG GLU 24 HG1 GLU 24 4.476 4.898 -3.504 182 H LEU 25 HN LEU 25 2.444 4.688 -0.207 183 HA LEU 25 HA LEU 25 1.120 3.608 -2.452 184 1HB LEU 25 HB2 LEU 25 0.513 3.421 0.488 185 2HB LEU 25 HB1 LEU 25 -0.448 2.588 -0.728 186 HG LEU 25 HG LEU 25 2.556 2.288 -0.448 187 1HD1 LEU 25 HD11 LEU 25 0.322 0.484 0.531 188 2HD1 LEU 25 HD12 LEU 25 1.378 1.454 1.552 189 3HD1 LEU 25 HD13 LEU 25 2.043 0.118 0.616 190 1HD2 LEU 25 HD21 LEU 25 2.132 1.528 -2.607 191 2HD2 LEU 25 HD22 LEU 25 0.461 1.096 -2.250 192 3HD2 LEU 25 HD23 LEU 25 1.777 0.050 -1.722 193 H SER 26 HN SER 26 0.043 6.052 -0.120 194 HA SER 26 HA SER 26 -2.624 6.215 -1.024 195 1HB SER 26 HB2 SER 26 -1.780 7.206 1.096 196 2HB SER 26 HB1 SER 26 -0.948 8.441 0.156 197 HG SER 26 HG SER 26 -2.840 9.387 0.485 198 H ARG 27 HN ARG 27 0.270 8.075 -2.031 199 HA ARG 27 HA ARG 27 -1.088 9.778 -3.842 200 1HB ARG 27 HB2 ARG 27 1.753 8.722 -3.842 201 2HB ARG 27 HB1 ARG 27 1.164 9.939 -4.973 202 1HG ARG 27 HG2 ARG 27 0.595 11.431 -3.111 203 2HG ARG 27 HG1 ARG 27 1.123 10.208 -1.953 204 1HD ARG 27 HD2 ARG 27 2.892 11.884 -2.320 205 2HD ARG 27 HD1 ARG 27 3.401 10.294 -2.884 206 HE ARG 27 HE ARG 27 2.325 11.475 -5.111 207 1HH1 ARG 27 HH21 ARG 27 4.730 12.314 -2.770 208 2HH1 ARG 27 HH22 ARG 27 5.676 13.255 -3.874 209 1HH2 ARG 27 HH11 ARG 27 3.562 12.706 -6.568 210 2HH2 ARG 27 HH12 ARG 27 5.015 13.478 -6.023 211 H ARG 28 HN ARG 28 0.291 6.544 -4.201 212 HA ARG 28 HA ARG 28 -0.125 6.279 -6.984 213 1HB ARG 28 HB2 ARG 28 0.069 4.239 -4.765 214 2HB ARG 28 HB1 ARG 28 0.000 3.818 -6.473 215 1HG ARG 28 HG2 ARG 28 2.058 5.780 -5.462 216 2HG ARG 28 HG1 ARG 28 2.342 4.047 -5.346 217 1HD ARG 28 HD2 ARG 28 1.883 3.906 -7.839 218 2HD ARG 28 HD1 ARG 28 1.887 5.665 -7.871 219 HE ARG 28 HE ARG 28 4.243 5.086 -6.656 220 1HH1 ARG 28 HH11 ARG 28 2.711 3.750 -9.457 221 2HH1 ARG 28 HH12 ARG 28 4.187 3.558 -10.341 222 1HH2 ARG 28 HH21 ARG 28 6.171 4.934 -7.856 223 2HH2 ARG 28 HH22 ARG 28 6.143 4.229 -9.436 224 H ILE 29 HN ILE 29 -2.166 5.525 -4.199 225 HA ILE 29 HA ILE 29 -4.252 4.244 -5.637 226 HB ILE 29 HB ILE 29 -4.167 5.596 -2.941 227 1HG1 ILE 29 HG12 ILE 29 -2.941 3.471 -3.119 228 2HG1 ILE 29 HG11 ILE 29 -4.363 3.274 -2.106 229 1HG2 ILE 29 HG21 ILE 29 -6.443 5.852 -3.552 230 2HG2 ILE 29 HG22 ILE 29 -6.398 4.382 -2.579 231 3HG2 ILE 29 HG23 ILE 29 -6.497 4.273 -4.337 232 1HD1 ILE 29 HD11 ILE 29 -3.774 2.133 -4.801 233 2HD1 ILE 29 HD12 ILE 29 -5.452 2.548 -4.463 234 3HD1 ILE 29 HD13 ILE 29 -4.601 1.403 -3.432 235 H GLN 30 HN GLN 30 -3.802 7.581 -4.628 236 HA GLN 30 HA GLN 30 -6.323 8.541 -5.595 237 1HB GLN 30 HB2 GLN 30 -3.704 9.979 -5.092 238 2HB GLN 30 HB1 GLN 30 -5.180 10.797 -5.595 239 1HG GLN 30 HG2 GLN 30 -6.335 9.973 -3.569 240 2HG GLN 30 HG1 GLN 30 -4.867 9.150 -3.054 241 1HE2 GLN 30 HE21 GLN 30 -6.081 11.198 -1.465 242 2HE2 GLN 30 HE22 GLN 30 -5.030 12.530 -1.428 243 H TYR 31 HN TYR 31 -3.153 8.258 -7.241 244 HA TYR 31 HA TYR 31 -4.072 9.619 -9.545 245 1HB TYR 31 HB2 TYR 31 -1.663 9.275 -9.114 246 2HB TYR 31 HB1 TYR 31 -1.880 7.533 -9.298 247 HD1 TYR 31 HD1 TYR 31 -2.169 10.792 -11.072 248 HD2 TYR 31 HD2 TYR 31 -1.966 6.517 -11.455 249 HE1 TYR 31 HE1 TYR 31 -1.931 11.024 -13.528 250 HE2 TYR 31 HE2 TYR 31 -1.726 6.751 -13.913 251 HH TYR 31 HH TYR 31 -1.942 8.203 -15.650 252 H ALA 32 HN ALA 32 -4.114 6.212 -8.594 253 HA ALA 32 HA ALA 32 -5.065 5.254 -11.095 254 1HB ALA 32 HB1 ALA 32 -5.648 3.200 -9.774 255 2HB ALA 32 HB2 ALA 32 -5.142 4.064 -8.321 256 3HB ALA 32 HB3 ALA 32 -3.975 3.731 -9.599 257 H PHE 33 HN PHE 33 -6.637 6.322 -8.127 258 HA PHE 33 HA PHE 33 -9.304 6.025 -9.413 259 1HB PHE 33 HB2 PHE 33 -8.543 5.831 -6.498 260 2HB PHE 33 HB1 PHE 33 -10.192 5.790 -7.125 261 HD1 PHE 33 HD1 PHE 33 -6.999 3.978 -6.898 262 HD2 PHE 33 HD2 PHE 33 -11.005 3.896 -8.442 263 HE1 PHE 33 HE1 PHE 33 -6.754 1.562 -7.404 264 HE2 PHE 33 HE2 PHE 33 -10.762 1.479 -8.944 265 HZ PHE 33 HZ PHE 33 -8.637 0.312 -8.426 266 HA PRO 34 HA PRO 34 -8.652 10.537 -8.662 267 1HB PRO 34 HB2 PRO 34 -10.211 11.061 -11.049 268 2HB PRO 34 HB1 PRO 34 -8.492 11.364 -10.760 269 1HG PRO 34 HG2 PRO 34 -9.527 9.445 -12.485 270 2HG PRO 34 HG1 PRO 34 -7.874 9.481 -11.852 271 1HD PRO 34 HD2 PRO 34 -10.160 7.757 -11.030 272 2HD PRO 34 HD1 PRO 34 -8.411 7.445 -10.948 273 H ASP 35 HN ASP 35 -11.529 8.688 -9.339 274 HA ASP 35 HA ASP 35 -13.321 10.804 -8.378 275 1HB ASP 35 HB2 ASP 35 -15.116 9.342 -9.199 276 2HB ASP 35 HB1 ASP 35 -13.920 9.704 -10.441 277 H ASN 36 HN ASN 36 -11.728 8.192 -6.846 278 HA ASN 36 HA ASN 36 -13.968 7.973 -4.888 279 1HB ASN 36 HB2 ASN 36 -13.671 5.932 -6.175 280 2HB ASN 36 HB1 ASN 36 -11.989 5.846 -5.665 281 1HD2 ASN 36 HD21 ASN 36 -11.533 5.158 -3.494 282 2HD2 ASN 36 HD22 ASN 36 -12.743 4.574 -2.457 283 H GLU 37 HN GLU 37 -13.378 8.550 -2.690 284 HA GLU 37 HA GLU 37 -10.825 9.457 -2.007 285 1HB GLU 37 HB2 GLU 37 -13.169 8.447 -0.420 286 2HB GLU 37 HB1 GLU 37 -11.734 9.180 0.300 287 1HG GLU 37 HG2 GLU 37 -13.400 10.538 -1.835 288 2HG GLU 37 HG1 GLU 37 -13.647 10.785 -0.107 289 H GLY 38 HN GLY 38 -9.032 8.221 -1.610 290 1HA GLY 38 HA2 GLY 38 -9.367 5.344 -0.861 291 2HA GLY 38 HA1 GLY 38 -8.020 5.866 -1.627 292 H HIS 39 HN HIS 39 -8.824 4.871 1.384 293 HA HIS 39 HA HIS 39 -6.926 6.742 2.661 294 1HB HIS 39 HB2 HIS 39 -9.229 5.150 3.812 295 2HB HIS 39 HB1 HIS 39 -7.998 5.922 4.812 296 HD1 HIS 39 HD1 HIS 39 -10.861 6.705 2.509 297 HD2 HIS 39 HD2 HIS 39 -8.136 8.759 4.902 298 HE1 HIS 39 HE1 HIS 39 -11.688 9.096 2.648 299 H VAL 40 HN VAL 40 -4.982 5.753 3.139 300 HA VAL 40 HA VAL 40 -4.887 2.814 3.169 301 HB VAL 40 HB VAL 40 -2.679 4.781 2.558 302 1HG1 VAL 40 HG11 VAL 40 -1.589 2.732 1.649 303 2HG1 VAL 40 HG12 VAL 40 -2.934 1.776 2.271 304 3HG1 VAL 40 HG13 VAL 40 -1.872 2.636 3.386 305 1HG2 VAL 40 HG21 VAL 40 -4.283 3.056 0.639 306 2HG2 VAL 40 HG22 VAL 40 -3.058 4.253 0.222 307 3HG2 VAL 40 HG23 VAL 40 -4.603 4.773 0.895 308 H SER 41 HN SER 41 -4.269 1.842 4.970 309 HA SER 41 HA SER 41 -2.807 3.397 7.030 310 1HB SER 41 HB2 SER 41 -5.035 3.133 7.918 311 2HB SER 41 HB1 SER 41 -5.083 1.435 7.454 312 HG SER 41 HG SER 41 -3.534 0.998 8.993 313 H VAL 42 HN VAL 42 -1.128 2.429 8.031 314 HA VAL 42 HA VAL 42 -0.555 -0.376 7.312 315 HB VAL 42 HB VAL 42 1.541 1.811 7.385 316 1HG1 VAL 42 HG11 VAL 42 2.842 -0.003 6.154 317 2HG1 VAL 42 HG12 VAL 42 1.545 -1.110 6.595 318 3HG1 VAL 42 HG13 VAL 42 2.501 -0.328 7.852 319 1HG2 VAL 42 HG21 VAL 42 -0.114 2.061 5.484 320 2HG2 VAL 42 HG22 VAL 42 0.388 0.469 4.927 321 3HG2 VAL 42 HG23 VAL 42 1.550 1.789 4.971 322 H ARG 43 HN ARG 43 -0.097 -1.622 8.984 323 HA ARG 43 HA ARG 43 1.129 -0.461 11.371 324 1HB ARG 43 HB2 ARG 43 -1.452 -2.036 11.585 325 2HB ARG 43 HB1 ARG 43 -0.568 -1.253 12.895 326 1HG ARG 43 HG2 ARG 43 -0.924 0.945 11.695 327 2HG ARG 43 HG1 ARG 43 -2.001 0.086 10.592 328 1HD ARG 43 HD2 ARG 43 -3.374 1.072 12.306 329 2HD ARG 43 HD1 ARG 43 -3.324 -0.663 12.609 330 HE ARG 43 HE ARG 43 -1.259 0.672 14.057 331 1HH1 ARG 43 HH11 ARG 43 -4.283 1.864 14.241 332 2HH1 ARG 43 HH12 ARG 43 -4.672 1.283 15.826 333 1HH2 ARG 43 HH21 ARG 43 -1.935 -0.834 16.017 334 2HH2 ARG 43 HH22 ARG 43 -3.344 -0.240 16.831 335 H TYR 44 HN TYR 44 1.852 -2.145 12.914 336 HA TYR 44 HA TYR 44 2.775 -4.565 11.524 337 1HB TYR 44 HB2 TYR 44 3.216 -3.483 14.328 338 2HB TYR 44 HB1 TYR 44 3.766 -5.074 13.838 339 HD1 TYR 44 HD1 TYR 44 5.058 -4.957 11.383 340 HD2 TYR 44 HD2 TYR 44 4.872 -1.851 14.356 341 HE1 TYR 44 HE1 TYR 44 7.191 -4.018 10.545 342 HE2 TYR 44 HE2 TYR 44 6.998 -0.913 13.506 343 HH TYR 44 HH TYR 44 9.129 -2.472 11.779 344 H ALA 45 HN ALA 45 2.103 -6.589 11.833 345 HA ALA 45 HA ALA 45 0.033 -7.137 13.843 346 1HB ALA 45 HB1 ALA 45 -0.296 -8.027 10.977 347 2HB ALA 45 HB2 ALA 45 -0.983 -6.509 11.558 348 3HB ALA 45 HB3 ALA 45 -1.492 -8.038 12.274 349 H ALA 46 HN ALA 46 -0.347 -9.572 13.959 350 HA ALA 46 HA ALA 46 2.141 -10.870 14.251 351 1HB ALA 46 HB1 ALA 46 0.906 -12.840 14.840 352 2HB ALA 46 HB2 ALA 46 -0.513 -12.297 13.944 353 3HB ALA 46 HB3 ALA 46 -0.046 -11.480 15.435 354 H ALA 47 HN ALA 47 -0.002 -10.630 11.490 355 HA ALA 47 HA ALA 47 2.013 -12.149 9.951 356 1HB ALA 47 HB1 ALA 47 0.156 -13.288 8.723 357 2HB ALA 47 HB2 ALA 47 -0.974 -12.623 9.902 358 3HB ALA 47 HB3 ALA 47 0.270 -13.759 10.418 359 H ASN 48 HN ASN 48 2.159 -11.690 7.749 360 HA ASN 48 HA ASN 48 1.524 -8.984 6.975 361 1HB ASN 48 HB2 ASN 48 3.501 -10.439 6.179 362 2HB ASN 48 HB1 ASN 48 2.336 -11.224 5.115 363 1HD2 ASN 48 HD21 ASN 48 3.484 -10.291 3.228 364 2HD2 ASN 48 HD22 ASN 48 3.279 -8.652 2.832 365 H ASN 49 HN ASN 49 -0.370 -8.306 6.057 366 HA ASN 49 HA ASN 49 -1.980 -10.132 4.451 367 1HB ASN 49 HB2 ASN 49 -2.901 -9.037 7.102 368 2HB ASN 49 HB1 ASN 49 -4.037 -9.489 5.835 369 1HD2 ASN 49 HD21 ASN 49 -3.462 -10.795 8.535 370 2HD2 ASN 49 HD22 ASN 49 -3.112 -12.410 8.154 371 H LEU 50 HN LEU 50 -3.480 -9.065 3.131 372 HA LEU 50 HA LEU 50 -3.379 -6.102 3.093 373 1HB LEU 50 HB2 LEU 50 -1.989 -7.057 1.272 374 2HB LEU 50 HB1 LEU 50 -3.366 -8.013 0.733 375 HG LEU 50 HG LEU 50 -4.638 -5.936 0.292 376 1HD1 LEU 50 HD11 LEU 50 -2.174 -4.662 1.435 377 2HD1 LEU 50 HD12 LEU 50 -3.874 -4.301 1.742 378 3HD1 LEU 50 HD13 LEU 50 -3.129 -3.798 0.229 379 1HD2 LEU 50 HD21 LEU 50 -3.273 -6.938 -1.520 380 2HD2 LEU 50 HD22 LEU 50 -1.894 -5.960 -1.014 381 3HD2 LEU 50 HD23 LEU 50 -3.335 -5.182 -1.666 382 H SER 51 HN SER 51 -5.464 -5.298 3.348 383 HA SER 51 HA SER 51 -7.728 -7.035 2.509 384 1HB SER 51 HB2 SER 51 -7.511 -5.178 4.885 385 2HB SER 51 HB1 SER 51 -8.989 -5.986 4.369 386 HG SER 51 HG SER 51 -8.280 -7.762 5.236 387 H VAL 52 HN VAL 52 -9.142 -6.086 1.098 388 HA VAL 52 HA VAL 52 -9.116 -3.147 0.838 389 HB VAL 52 HB VAL 52 -9.435 -5.174 -1.391 390 1HG1 VAL 52 HG11 VAL 52 -9.330 -3.013 -2.781 391 2HG1 VAL 52 HG12 VAL 52 -9.657 -2.158 -1.276 392 3HG1 VAL 52 HG13 VAL 52 -10.832 -3.310 -1.907 393 1HG2 VAL 52 HG21 VAL 52 -7.336 -4.061 -2.226 394 2HG2 VAL 52 HG22 VAL 52 -7.109 -4.966 -0.730 395 3HG2 VAL 52 HG23 VAL 52 -7.236 -3.207 -0.686 396 H ILE 53 HN ILE 53 -11.097 -2.261 1.206 397 HA ILE 53 HA ILE 53 -13.497 -4.000 0.944 398 HB ILE 53 HB ILE 53 -12.972 -1.782 2.935 399 1HG1 ILE 53 HG12 ILE 53 -13.471 -4.701 3.562 400 2HG1 ILE 53 HG11 ILE 53 -11.841 -4.122 3.213 401 1HG2 ILE 53 HG21 ILE 53 -15.162 -2.726 3.899 402 2HG2 ILE 53 HG22 ILE 53 -15.386 -3.495 2.328 403 3HG2 ILE 53 HG23 ILE 53 -15.292 -1.737 2.444 404 1HD1 ILE 53 HD11 ILE 53 -11.872 -2.621 5.062 405 2HD1 ILE 53 HD12 ILE 53 -12.521 -4.142 5.674 406 3HD1 ILE 53 HD13 ILE 53 -13.611 -2.813 5.282 407 H GLY 54 HN GLY 54 -15.003 -3.319 -0.461 408 1HA GLY 54 HA2 GLY 54 -16.481 -1.687 -1.378 409 2HA GLY 54 HA1 GLY 54 -15.316 -0.435 -0.946 410 H ALA 55 HN ALA 55 -13.957 -3.194 -2.531 411 HA ALA 55 HA ALA 55 -13.895 -1.669 -5.087 412 1HB ALA 55 HB1 ALA 55 -11.628 -2.239 -5.409 413 2HB ALA 55 HB2 ALA 55 -11.664 -3.454 -4.130 414 3HB ALA 55 HB3 ALA 55 -11.730 -1.740 -3.720 415 H THR 56 HN THR 56 -13.407 -2.898 -6.986 416 HA THR 56 HA THR 56 -14.904 -5.437 -7.230 417 HB THR 56 HB THR 56 -14.668 -4.979 -9.591 418 HG1 THR 56 HG1 THR 56 -12.557 -3.991 -9.318 419 1HG2 THR 56 HG21 THR 56 -15.456 -2.493 -8.047 420 2HG2 THR 56 HG22 THR 56 -16.514 -3.848 -8.435 421 3HG2 THR 56 HG23 THR 56 -15.882 -2.824 -9.725 422 H LYS 57 HN LYS 57 -14.003 -7.186 -8.298 423 HA LYS 57 HA LYS 57 -11.530 -8.039 -7.374 424 1HB LYS 57 HB2 LYS 57 -13.021 -8.957 -9.857 425 2HB LYS 57 HB1 LYS 57 -11.743 -9.854 -9.048 426 1HG LYS 57 HG2 LYS 57 -13.152 -10.017 -7.003 427 2HG LYS 57 HG1 LYS 57 -14.428 -9.111 -7.823 428 1HD LYS 57 HD2 LYS 57 -14.614 -10.868 -9.517 429 2HD LYS 57 HD1 LYS 57 -13.287 -11.757 -8.770 430 1HE LYS 57 HE2 LYS 57 -15.845 -11.045 -7.311 431 2HE LYS 57 HE1 LYS 57 -15.593 -12.585 -8.136 432 1HZ LYS 57 HZ1 LYS 57 -15.005 -12.868 -5.867 433 2HZ LYS 57 HZ2 LYS 57 -14.025 -11.481 -5.873 434 3HZ LYS 57 HZ3 LYS 57 -13.561 -12.856 -6.757 435 H GLU 58 HN GLU 58 -12.252 -6.465 -10.540 436 HA GLU 58 HA GLU 58 -9.613 -6.839 -11.550 437 1HB GLU 58 HB2 GLU 58 -11.553 -6.316 -12.998 438 2HB GLU 58 HB1 GLU 58 -11.671 -4.727 -12.244 439 1HG GLU 58 HG2 GLU 58 -9.412 -4.161 -13.033 440 2HG GLU 58 HG1 GLU 58 -9.244 -5.765 -13.742 441 H ASP 59 HN ASP 59 -11.150 -4.303 -9.611 442 HA ASP 59 HA ASP 59 -9.024 -2.451 -9.782 443 1HB ASP 59 HB2 ASP 59 -11.201 -2.864 -7.733 444 2HB ASP 59 HB1 ASP 59 -10.011 -1.569 -7.606 445 H LYS 60 HN LYS 60 -9.841 -5.015 -7.517 446 HA LYS 60 HA LYS 60 -7.680 -4.650 -5.714 447 1HB LYS 60 HB2 LYS 60 -9.302 -7.108 -6.445 448 2HB LYS 60 HB1 LYS 60 -8.129 -7.071 -5.130 449 1HG LYS 60 HG2 LYS 60 -9.393 -5.258 -4.042 450 2HG LYS 60 HG1 LYS 60 -10.568 -5.284 -5.359 451 1HD LYS 60 HD2 LYS 60 -11.059 -7.669 -4.833 452 2HD LYS 60 HD1 LYS 60 -9.953 -7.571 -3.463 453 1HE LYS 60 HE2 LYS 60 -11.366 -5.611 -2.635 454 2HE LYS 60 HE1 LYS 60 -12.547 -6.069 -3.859 455 1HZ LYS 60 HZ1 LYS 60 -12.746 -7.045 -1.498 456 2HZ LYS 60 HZ2 LYS 60 -11.499 -8.089 -1.991 457 3HZ LYS 60 HZ3 LYS 60 -12.976 -8.070 -2.830 458 H GLN 61 HN GLN 61 -7.863 -6.568 -8.735 459 HA GLN 61 HA GLN 61 -5.295 -7.746 -8.351 460 1HB GLN 61 HB2 GLN 61 -6.927 -7.187 -10.843 461 2HB GLN 61 HB1 GLN 61 -5.392 -8.057 -10.861 462 1HG GLN 61 HG2 GLN 61 -6.308 -9.744 -9.333 463 2HG GLN 61 HG1 GLN 61 -7.835 -8.868 -9.257 464 1HE2 GLN 61 HE21 GLN 61 -7.526 -11.613 -10.258 465 2HE2 GLN 61 HE22 GLN 61 -7.985 -11.590 -11.894 466 H ARG 62 HN ARG 62 -6.441 -4.756 -9.956 467 HA ARG 62 HA ARG 62 -3.936 -3.988 -10.935 468 1HB ARG 62 HB2 ARG 62 -6.023 -2.901 -11.680 469 2HB ARG 62 HB1 ARG 62 -6.267 -2.241 -10.065 470 1HG ARG 62 HG2 ARG 62 -4.281 -0.873 -10.251 471 2HG ARG 62 HG1 ARG 62 -3.834 -1.640 -11.776 472 1HD ARG 62 HD2 ARG 62 -4.876 0.521 -12.224 473 2HD ARG 62 HD1 ARG 62 -5.920 -0.775 -12.802 474 HE ARG 62 HE ARG 62 -6.670 -0.125 -10.162 475 1HH1 ARG 62 HH11 ARG 62 -6.040 2.297 -12.302 476 2HH1 ARG 62 HH12 ARG 62 -7.673 2.829 -12.521 477 1HH2 ARG 62 HH21 ARG 62 -9.061 0.096 -10.899 478 2HH2 ARG 62 HH22 ARG 62 -9.385 1.583 -11.727 479 H ILE 63 HN ILE 63 -5.527 -3.271 -7.863 480 HA ILE 63 HA ILE 63 -3.450 -1.652 -6.863 481 HB ILE 63 HB ILE 63 -5.489 -3.305 -5.401 482 1HG1 ILE 63 HG12 ILE 63 -5.315 -0.297 -5.623 483 2HG1 ILE 63 HG11 ILE 63 -6.131 -1.256 -6.855 484 1HG2 ILE 63 HG21 ILE 63 -4.841 -1.734 -3.463 485 2HG2 ILE 63 HG22 ILE 63 -3.369 -1.414 -4.381 486 3HG2 ILE 63 HG23 ILE 63 -3.724 -3.050 -3.827 487 1HD1 ILE 63 HD11 ILE 63 -7.701 -0.423 -5.113 488 2HD1 ILE 63 HD12 ILE 63 -6.797 -1.326 -3.898 489 3HD1 ILE 63 HD13 ILE 63 -7.650 -2.184 -5.181 490 H SER 64 HN SER 64 -3.878 -5.162 -6.668 491 HA SER 64 HA SER 64 -1.589 -5.640 -5.047 492 1HB SER 64 HB2 SER 64 -2.814 -7.376 -7.212 493 2HB SER 64 HB1 SER 64 -1.588 -7.916 -6.068 494 HG SER 64 HG SER 64 -4.030 -8.154 -5.636 495 H GLU 65 HN GLU 65 -1.988 -5.252 -8.627 496 HA GLU 65 HA GLU 65 0.715 -5.796 -9.235 497 1HB GLU 65 HB2 GLU 65 -1.378 -4.171 -10.703 498 2HB GLU 65 HB1 GLU 65 0.233 -4.489 -11.352 499 1HG GLU 65 HG2 GLU 65 -0.168 -6.914 -11.187 500 2HG GLU 65 HG1 GLU 65 -1.777 -6.608 -10.530 501 H ILE 66 HN ILE 66 -0.966 -2.777 -8.452 502 HA ILE 66 HA ILE 66 1.216 -1.061 -8.886 503 HB ILE 66 HB ILE 66 -1.134 -0.827 -6.997 504 1HG1 ILE 66 HG12 ILE 66 -0.494 0.533 -9.634 505 2HG1 ILE 66 HG11 ILE 66 -1.532 -0.883 -9.483 506 1HG2 ILE 66 HG21 ILE 66 -0.496 1.636 -7.015 507 2HG2 ILE 66 HG22 ILE 66 1.050 1.155 -7.707 508 3HG2 ILE 66 HG23 ILE 66 0.593 0.602 -6.095 509 1HD1 ILE 66 HD11 ILE 66 -1.993 1.851 -8.262 510 2HD1 ILE 66 HD12 ILE 66 -2.968 0.432 -7.887 511 3HD1 ILE 66 HD13 ILE 66 -2.948 1.080 -9.528 512 H LEU 67 HN LEU 67 0.181 -2.777 -5.969 513 HA LEU 67 HA LEU 67 2.178 -1.773 -4.260 514 1HB LEU 67 HB2 LEU 67 0.327 -2.961 -3.268 515 2HB LEU 67 HB1 LEU 67 0.612 -4.370 -4.277 516 HG LEU 67 HG LEU 67 2.832 -4.691 -3.088 517 1HD1 LEU 67 HD11 LEU 67 1.752 -2.336 -1.530 518 2HD1 LEU 67 HD12 LEU 67 3.391 -2.617 -2.123 519 3HD1 LEU 67 HD13 LEU 67 2.791 -3.521 -0.739 520 1HD2 LEU 67 HD21 LEU 67 0.264 -4.710 -1.472 521 2HD2 LEU 67 HD22 LEU 67 1.745 -5.535 -0.984 522 3HD2 LEU 67 HD23 LEU 67 0.906 -6.024 -2.457 523 H GLN 68 HN GLN 68 2.109 -4.492 -6.511 524 HA GLN 68 HA GLN 68 4.678 -5.508 -5.833 525 1HB GLN 68 HB2 GLN 68 3.023 -5.685 -8.355 526 2HB GLN 68 HB1 GLN 68 4.597 -6.459 -8.190 527 1HG GLN 68 HG2 GLN 68 3.827 -7.800 -6.343 528 2HG GLN 68 HG1 GLN 68 2.311 -6.904 -6.256 529 1HE2 GLN 68 HE21 GLN 68 2.415 -9.770 -6.662 530 2HE2 GLN 68 HE22 GLN 68 1.796 -10.092 -8.209 531 H GLU 69 HN GLU 69 3.727 -3.277 -8.524 532 HA GLU 69 HA GLU 69 6.336 -2.858 -9.419 533 1HB GLU 69 HB2 GLU 69 3.877 -1.114 -9.571 534 2HB GLU 69 HB1 GLU 69 5.389 -0.712 -10.386 535 1HG GLU 69 HG2 GLU 69 5.310 -2.828 -11.621 536 2HG GLU 69 HG1 GLU 69 3.829 -3.283 -10.779 537 H THR 70 HN THR 70 4.512 -0.917 -7.025 538 HA THR 70 HA THR 70 6.461 1.077 -6.690 539 HB THR 70 HB THR 70 4.510 -0.014 -4.692 540 HG1 THR 70 HG1 THR 70 4.211 2.410 -6.007 541 1HG2 THR 70 HG21 THR 70 6.188 2.495 -4.716 542 2HG2 THR 70 HG22 THR 70 6.195 1.213 -3.503 543 3HG2 THR 70 HG23 THR 70 4.795 2.275 -3.658 544 H TRP 71 HN TRP 71 5.884 -1.906 -4.991 545 HA TRP 71 HA TRP 71 7.938 -1.806 -3.153 546 1HB TRP 71 HB2 TRP 71 5.970 -3.286 -3.148 547 2HB TRP 71 HB1 TRP 71 6.665 -4.177 -4.487 548 HD1 TRP 71 HD1 TRP 71 7.443 -6.400 -3.595 549 HE1 TRP 71 HE1 TRP 71 8.739 -7.245 -1.544 550 HE3 TRP 71 HE3 TRP 71 7.942 -2.023 -0.944 551 HZ2 TRP 71 HZ2 TRP 71 9.817 -6.239 0.887 552 HZ3 TRP 71 HZ3 TRP 71 9.096 -2.026 1.237 553 HH2 TRP 71 HH2 TRP 71 10.030 -4.125 2.160 554 H GLU 72 HN GLU 72 7.926 -2.998 -6.461 555 HA GLU 72 HA GLU 72 10.630 -3.925 -6.354 556 1HB GLU 72 HB2 GLU 72 8.772 -3.459 -8.691 557 2HB GLU 72 HB1 GLU 72 10.419 -4.055 -8.883 558 1HG GLU 72 HG2 GLU 72 9.898 -5.967 -7.412 559 2HG GLU 72 HG1 GLU 72 8.250 -5.371 -7.226 560 H SER 73 HN SER 73 9.284 -0.762 -6.801 561 HA SER 73 HA SER 73 11.829 0.144 -8.022 562 1HB SER 73 HB2 SER 73 9.061 1.338 -7.980 563 2HB SER 73 HB1 SER 73 10.480 2.282 -8.432 564 HG SER 73 HG SER 73 9.350 0.015 -9.669 565 H ALA 74 HN ALA 74 11.204 -0.468 -5.103 566 HA ALA 74 HA ALA 74 10.964 1.686 -3.494 567 1HB ALA 74 HB1 ALA 74 12.136 0.382 -1.822 568 2HB ALA 74 HB2 ALA 74 12.775 -0.677 -3.078 569 3HB ALA 74 HB3 ALA 74 11.040 -0.633 -2.761 570 H ASP 75 HN ASP 75 14.000 0.732 -5.063 571 HA ASP 75 HA ASP 75 15.678 2.393 -3.495 572 1HB ASP 75 HB2 ASP 75 15.997 1.241 -6.260 573 2HB ASP 75 HB1 ASP 75 17.262 2.157 -5.443 574 H ASP 76 HN ASP 76 13.477 3.212 -6.062 575 HA ASP 76 HA ASP 76 14.872 5.732 -6.659 576 1HB ASP 76 HB2 ASP 76 12.410 4.399 -7.789 577 2HB ASP 76 HB1 ASP 76 12.898 6.032 -8.237 578 H TRP 77 HN TRP 77 11.736 4.749 -5.227 579 HA TRP 77 HA TRP 77 11.194 7.583 -4.619 580 1HB TRP 77 HB2 TRP 77 8.984 6.996 -4.166 581 2HB TRP 77 HB1 TRP 77 9.448 6.026 -5.549 582 HD1 TRP 77 HD1 TRP 77 9.424 3.406 -5.269 583 HE1 TRP 77 HE1 TRP 77 8.741 1.826 -3.380 584 HE3 TRP 77 HE3 TRP 77 9.007 6.744 -1.321 585 HZ2 TRP 77 HZ2 TRP 77 8.113 1.908 -0.624 586 HZ3 TRP 77 HZ3 TRP 77 8.361 5.905 0.885 587 HH2 TRP 77 HH2 TRP 77 7.923 3.512 1.243 588 H PHE 78 HN PHE 78 12.400 4.835 -2.840 589 HA PHE 78 HA PHE 78 11.577 6.040 -0.283 590 1HB PHE 78 HB2 PHE 78 11.485 3.627 -0.340 591 2HB PHE 78 HB1 PHE 78 13.145 3.535 -0.903 592 HD1 PHE 78 HD1 PHE 78 11.295 5.266 1.892 593 HD2 PHE 78 HD2 PHE 78 14.730 2.926 0.741 594 HE1 PHE 78 HE1 PHE 78 12.108 5.283 4.230 595 HE2 PHE 78 HE2 PHE 78 15.523 2.952 3.079 596 HZ PHE 78 HZ PHE 78 14.218 4.128 4.824 597 H VAL 79 HN VAL 79 12.728 7.377 0.843 598 HA VAL 79 HA VAL 79 15.608 7.709 0.240 599 HB VAL 79 HB VAL 79 13.858 9.931 1.301 600 1HG1 VAL 79 HG11 VAL 79 16.176 10.051 -0.634 601 2HG1 VAL 79 HG12 VAL 79 16.420 10.015 1.113 602 3HG1 VAL 79 HG13 VAL 79 15.526 11.343 0.374 603 1HG2 VAL 79 HG21 VAL 79 13.439 10.629 -1.057 604 2HG2 VAL 79 HG22 VAL 79 12.644 9.099 -0.672 605 3HG2 VAL 79 HG23 VAL 79 14.140 9.110 -1.612 606 H SER 80 HN SER 80 16.991 7.758 2.124 607 HA SER 80 HA SER 80 15.609 7.580 4.750 608 1HB SER 80 HB2 SER 80 17.373 6.024 5.442 609 2HB SER 80 HB1 SER 80 16.578 5.394 3.997 610 HG SER 80 HG SER 80 18.663 5.275 3.474 611 H GLU 81 HN GLU 81 16.410 8.772 6.365 612 HA GLU 81 HA GLU 81 17.883 11.091 5.852 613 1HB GLU 81 HB2 GLU 81 16.390 10.758 7.806 614 2HB GLU 81 HB1 GLU 81 17.576 9.652 8.498 615 1HG GLU 81 HG2 GLU 81 19.254 11.462 8.525 616 2HG GLU 81 HG1 GLU 81 18.073 12.568 7.829 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -14.492 4.233 0.330 2 2H MET 1 HT2 MET 1 -14.843 3.956 -1.310 3 3H MET 1 HT3 MET 1 -13.455 4.831 -0.870 4 HA MET 1 HA MET 1 -13.968 1.965 -0.316 5 1HB MET 1 HB2 MET 1 -13.462 2.441 -2.674 6 2HB MET 1 HB1 MET 1 -12.029 3.348 -2.197 7 1HG MET 1 HG2 MET 1 -11.000 1.359 -1.278 8 2HG MET 1 HG1 MET 1 -12.479 0.431 -1.515 9 1HE MET 1 HE1 MET 1 -9.370 1.955 -2.836 10 2HE MET 1 HE2 MET 1 -10.369 2.985 -3.857 11 3HE MET 1 HE3 MET 1 -9.367 1.737 -4.591 12 H ARG 2 HN ARG 2 -12.452 1.005 1.066 13 HA ARG 2 HA ARG 2 -10.386 2.788 2.244 14 1HB ARG 2 HB2 ARG 2 -12.202 0.825 3.650 15 2HB ARG 2 HB1 ARG 2 -10.752 1.507 4.389 16 1HG ARG 2 HG2 ARG 2 -11.625 3.777 4.064 17 2HG ARG 2 HG1 ARG 2 -13.062 3.125 3.274 18 1HD ARG 2 HD2 ARG 2 -13.613 3.601 5.584 19 2HD ARG 2 HD1 ARG 2 -13.570 1.854 5.368 20 HE ARG 2 HE ARG 2 -11.029 2.513 6.195 21 1HH1 ARG 2 HH11 ARG 2 -13.016 0.884 7.834 22 2HH1 ARG 2 HH12 ARG 2 -13.111 1.814 9.293 23 1HH2 ARG 2 HH21 ARG 2 -11.687 4.647 7.894 24 2HH2 ARG 2 HH22 ARG 2 -12.358 3.942 9.327 25 H ILE 3 HN ILE 3 -8.396 1.991 2.349 26 HA ILE 3 HA ILE 3 -7.948 -0.867 1.632 27 HB ILE 3 HB ILE 3 -6.230 1.556 1.093 28 1HG1 ILE 3 HG12 ILE 3 -7.516 -0.232 -0.978 29 2HG1 ILE 3 HG11 ILE 3 -8.429 1.103 -0.270 30 1HG2 ILE 3 HG21 ILE 3 -5.862 -1.401 0.611 31 2HG2 ILE 3 HG22 ILE 3 -4.760 -0.275 1.401 32 3HG2 ILE 3 HG23 ILE 3 -5.001 -0.193 -0.343 33 1HD1 ILE 3 HD11 ILE 3 -5.664 1.622 -1.330 34 2HD1 ILE 3 HD12 ILE 3 -7.032 2.725 -1.187 35 3HD1 ILE 3 HD13 ILE 3 -7.016 1.501 -2.455 36 H GLU 4 HN GLU 4 -6.993 -2.022 3.226 37 HA GLU 4 HA GLU 4 -5.290 -0.599 5.208 38 1HB GLU 4 HB2 GLU 4 -7.139 -2.947 5.722 39 2HB GLU 4 HB1 GLU 4 -6.041 -2.239 6.904 40 1HG GLU 4 HG2 GLU 4 -7.202 -0.075 6.689 41 2HG GLU 4 HG1 GLU 4 -8.305 -0.782 5.508 42 H VAL 5 HN VAL 5 -3.297 -1.283 5.403 43 HA VAL 5 HA VAL 5 -2.566 -3.950 4.294 44 HB VAL 5 HB VAL 5 -0.847 -1.467 4.394 45 1HG1 VAL 5 HG11 VAL 5 -0.553 -4.194 3.117 46 2HG1 VAL 5 HG12 VAL 5 0.501 -3.448 4.318 47 3HG1 VAL 5 HG13 VAL 5 0.453 -2.816 2.672 48 1HG2 VAL 5 HG21 VAL 5 -2.623 -2.596 2.224 49 2HG2 VAL 5 HG22 VAL 5 -1.261 -1.542 1.853 50 3HG2 VAL 5 HG23 VAL 5 -2.587 -0.951 2.855 51 H THR 6 HN THR 6 -1.467 -5.321 5.567 52 HA THR 6 HA THR 6 -0.367 -4.292 8.130 53 HB THR 6 HB THR 6 -0.884 -6.611 9.010 54 HG1 THR 6 HG1 THR 6 -1.255 -7.329 6.735 55 1HG2 THR 6 HG21 THR 6 -3.099 -4.737 8.149 56 2HG2 THR 6 HG22 THR 6 -2.251 -4.755 9.696 57 3HG2 THR 6 HG23 THR 6 -3.345 -6.073 9.274 58 H ILE 7 HN ILE 7 1.631 -4.796 8.584 59 HA ILE 7 HA ILE 7 3.126 -6.633 6.799 60 HB ILE 7 HB ILE 7 3.808 -4.042 8.167 61 1HG1 ILE 7 HG12 ILE 7 4.299 -4.977 5.320 62 2HG1 ILE 7 HG11 ILE 7 2.821 -4.158 5.826 63 1HG2 ILE 7 HG21 ILE 7 6.185 -4.569 7.163 64 2HG2 ILE 7 HG22 ILE 7 5.662 -6.253 7.248 65 3HG2 ILE 7 HG23 ILE 7 5.744 -5.279 8.715 66 1HD1 ILE 7 HD11 ILE 7 4.227 -2.261 6.663 67 2HD1 ILE 7 HD12 ILE 7 4.348 -2.502 4.921 68 3HD1 ILE 7 HD13 ILE 7 5.642 -3.061 5.982 69 H ALA 8 HN ALA 8 4.156 -8.333 7.749 70 HA ALA 8 HA ALA 8 3.635 -9.006 10.438 71 1HB ALA 8 HB1 ALA 8 4.035 -10.788 8.923 72 2HB ALA 8 HB2 ALA 8 5.443 -10.772 9.983 73 3HB ALA 8 HB3 ALA 8 5.548 -10.074 8.365 74 H LYS 9 HN LYS 9 4.607 -8.598 12.177 75 HA LYS 9 HA LYS 9 6.560 -6.633 12.461 76 1HB LYS 9 HB2 LYS 9 4.941 -7.154 14.249 77 2HB LYS 9 HB1 LYS 9 5.675 -8.733 14.470 78 1HG LYS 9 HG2 LYS 9 7.794 -7.661 15.177 79 2HG LYS 9 HG1 LYS 9 7.065 -6.068 14.961 80 1HD LYS 9 HD2 LYS 9 5.456 -6.480 16.697 81 2HD LYS 9 HD1 LYS 9 5.926 -8.177 16.806 82 1HE LYS 9 HE2 LYS 9 6.921 -6.784 18.625 83 2HE LYS 9 HE1 LYS 9 8.142 -7.553 17.613 84 1HZ LYS 9 HZ1 LYS 9 8.511 -5.547 16.454 85 2HZ LYS 9 HZ2 LYS 9 8.506 -5.140 18.104 86 3HZ LYS 9 HZ3 LYS 9 7.149 -4.802 17.139 87 H THR 10 HN THR 10 6.944 -10.038 11.977 88 HA THR 10 HA THR 10 9.558 -10.376 13.017 89 HB THR 10 HB THR 10 9.652 -12.241 11.297 90 HG1 THR 10 HG1 THR 10 7.996 -12.499 9.975 91 1HG2 THR 10 HG21 THR 10 8.847 -12.579 13.608 92 2HG2 THR 10 HG22 THR 10 7.955 -13.586 12.468 93 3HG2 THR 10 HG23 THR 10 7.221 -12.116 13.107 94 H SER 11 HN SER 11 8.399 -8.434 10.506 95 HA SER 11 HA SER 11 11.110 -8.232 9.296 96 1HB SER 11 HB2 SER 11 8.412 -7.890 7.969 97 2HB SER 11 HB1 SER 11 9.963 -7.552 7.206 98 HG SER 11 HG SER 11 10.053 -9.969 8.330 99 HA PRO 12 HA PRO 12 9.931 -4.057 11.025 100 1HB PRO 12 HB2 PRO 12 12.580 -3.866 12.153 101 2HB PRO 12 HB1 PRO 12 11.046 -4.029 13.025 102 1HG PRO 12 HG2 PRO 12 13.027 -5.959 12.945 103 2HG PRO 12 HG1 PRO 12 11.327 -6.265 13.333 104 1HD PRO 12 HD2 PRO 12 12.791 -6.750 10.761 105 2HD PRO 12 HD1 PRO 12 11.480 -7.682 11.511 106 H LEU 13 HN LEU 13 10.085 -2.247 10.071 107 HA LEU 13 HA LEU 13 12.238 -1.916 8.066 108 1HB LEU 13 HB2 LEU 13 9.611 -0.427 8.140 109 2HB LEU 13 HB1 LEU 13 10.728 -0.609 6.787 110 HG LEU 13 HG LEU 13 9.127 -2.852 8.064 111 1HD1 LEU 13 HD11 LEU 13 8.058 -2.927 5.767 112 2HD1 LEU 13 HD12 LEU 13 8.822 -1.374 5.436 113 3HD1 LEU 13 HD13 LEU 13 7.638 -1.517 6.737 114 1HD2 LEU 13 HD21 LEU 13 9.996 -4.082 5.965 115 2HD2 LEU 13 HD22 LEU 13 11.144 -3.826 7.277 116 3HD2 LEU 13 HD23 LEU 13 11.190 -2.791 5.852 117 HA PRO 14 HA PRO 14 14.050 1.234 10.495 118 1HB PRO 14 HB2 PRO 14 14.185 3.293 8.442 119 2HB PRO 14 HB1 PRO 14 15.495 2.271 9.054 120 1HG PRO 14 HG2 PRO 14 13.949 2.004 6.589 121 2HG PRO 14 HG1 PRO 14 15.460 1.210 7.051 122 1HD PRO 14 HD2 PRO 14 13.000 -0.075 6.864 123 2HD PRO 14 HD1 PRO 14 14.372 -0.673 7.820 124 H ALA 15 HN ALA 15 13.635 3.020 11.644 125 HA ALA 15 HA ALA 15 11.011 3.618 12.316 126 1HB ALA 15 HB1 ALA 15 13.043 3.956 13.713 127 2HB ALA 15 HB2 ALA 15 11.919 5.314 13.739 128 3HB ALA 15 HB3 ALA 15 13.392 5.406 12.775 129 H GLY 16 HN GLY 16 10.821 4.043 9.591 130 1HA GLY 16 HA2 GLY 16 9.723 6.663 9.444 131 2HA GLY 16 HA1 GLY 16 11.259 6.645 8.636 132 H ALA 17 HN ALA 17 10.697 3.683 8.068 133 HA ALA 17 HA ALA 17 9.823 4.117 5.395 134 1HB ALA 17 HB1 ALA 17 9.909 1.526 5.358 135 2HB ALA 17 HB2 ALA 17 10.581 1.693 6.980 136 3HB ALA 17 HB3 ALA 17 11.414 2.414 5.607 137 H ILE 18 HN ILE 18 8.037 2.787 8.131 138 HA ILE 18 HA ILE 18 5.892 1.827 6.591 139 HB ILE 18 HB ILE 18 5.969 2.976 9.390 140 1HG1 ILE 18 HG12 ILE 18 7.173 0.744 8.675 141 2HG1 ILE 18 HG11 ILE 18 6.214 0.781 10.147 142 1HG2 ILE 18 HG21 ILE 18 3.743 1.692 9.601 143 2HG2 ILE 18 HG22 ILE 18 3.697 1.733 7.839 144 3HG2 ILE 18 HG23 ILE 18 3.708 3.239 8.755 145 1HD1 ILE 18 HD11 ILE 18 4.949 -0.036 7.538 146 2HD1 ILE 18 HD12 ILE 18 4.440 -0.416 9.180 147 3HD1 ILE 18 HD13 ILE 18 5.865 -1.197 8.496 148 H ASP 19 HN ASP 19 6.436 4.980 8.132 149 HA ASP 19 HA ASP 19 4.059 6.180 7.147 150 1HB ASP 19 HB2 ASP 19 6.684 7.399 8.054 151 2HB ASP 19 HB1 ASP 19 5.276 8.358 7.597 152 H ALA 20 HN ALA 20 7.300 5.915 5.732 153 HA ALA 20 HA ALA 20 6.693 7.632 3.575 154 1HB ALA 20 HB1 ALA 20 8.642 5.354 3.292 155 2HB ALA 20 HB2 ALA 20 9.006 6.704 4.364 156 3HB ALA 20 HB3 ALA 20 8.748 6.991 2.642 157 H LEU 21 HN LEU 21 6.342 4.150 4.015 158 HA LEU 21 HA LEU 21 5.602 3.469 1.422 159 1HB LEU 21 HB2 LEU 21 6.308 1.805 3.006 160 2HB LEU 21 HB1 LEU 21 5.022 2.240 4.123 161 HG LEU 21 HG LEU 21 3.360 1.453 2.482 162 1HD1 LEU 21 HD11 LEU 21 5.833 0.713 0.904 163 2HD1 LEU 21 HD12 LEU 21 4.493 1.729 0.374 164 3HD1 LEU 21 HD13 LEU 21 4.253 0.000 0.593 165 1HD2 LEU 21 HD21 LEU 21 4.013 -1.001 2.631 166 2HD2 LEU 21 HD22 LEU 21 4.033 -0.121 4.160 167 3HD2 LEU 21 HD23 LEU 21 5.544 -0.459 3.317 168 H ALA 22 HN ALA 22 3.597 4.259 4.245 169 HA ALA 22 HA ALA 22 1.057 4.003 2.985 170 1HB ALA 22 HB1 ALA 22 0.336 5.619 4.834 171 2HB ALA 22 HB2 ALA 22 2.012 5.569 5.382 172 3HB ALA 22 HB3 ALA 22 1.050 4.093 5.357 173 H GLY 23 HN GLY 23 3.261 6.791 3.240 174 1HA GLY 23 HA2 GLY 23 1.457 8.631 1.997 175 2HA GLY 23 HA1 GLY 23 3.223 8.784 2.183 176 H GLU 24 HN GLU 24 4.083 6.571 0.683 177 HA GLU 24 HA GLU 24 3.741 7.574 -1.934 178 1HB GLU 24 HB2 GLU 24 5.765 6.297 -1.212 179 2HB GLU 24 HB1 GLU 24 4.784 4.835 -1.102 180 1HG GLU 24 HG2 GLU 24 4.202 5.081 -3.520 181 2HG GLU 24 HG1 GLU 24 5.262 6.487 -3.606 182 H LEU 25 HN LEU 25 2.305 4.792 -0.257 183 HA LEU 25 HA LEU 25 0.948 3.769 -2.501 184 1HB LEU 25 HB2 LEU 25 0.355 3.535 0.446 185 2HB LEU 25 HB1 LEU 25 -0.576 2.695 -0.792 186 HG LEU 25 HG LEU 25 2.428 2.440 -0.436 187 1HD1 LEU 25 HD11 LEU 25 1.885 0.185 0.472 188 2HD1 LEU 25 HD12 LEU 25 0.171 0.593 0.399 189 3HD1 LEU 25 HD13 LEU 25 1.242 1.481 1.480 190 1HD2 LEU 25 HD21 LEU 25 0.437 1.306 -2.381 191 2HD2 LEU 25 HD22 LEU 25 1.732 0.240 -1.834 192 3HD2 LEU 25 HD23 LEU 25 2.124 1.757 -2.636 193 H SER 26 HN SER 26 -0.084 6.171 -0.099 194 HA SER 26 HA SER 26 -2.762 6.366 -0.946 195 1HB SER 26 HB2 SER 26 -0.956 8.451 0.291 196 2HB SER 26 HB1 SER 26 -2.695 8.642 0.080 197 HG SER 26 HG SER 26 -2.753 7.669 1.951 198 H ARG 27 HN ARG 27 0.120 8.204 -2.026 199 HA ARG 27 HA ARG 27 -1.269 9.900 -3.817 200 1HB ARG 27 HB2 ARG 27 1.069 10.309 -3.135 201 2HB ARG 27 HB1 ARG 27 1.576 8.862 -4.005 202 1HG ARG 27 HG2 ARG 27 0.798 9.834 -6.123 203 2HG ARG 27 HG1 ARG 27 0.215 11.263 -5.270 204 1HD ARG 27 HD2 ARG 27 3.100 10.341 -5.269 205 2HD ARG 27 HD1 ARG 27 2.460 11.575 -6.350 206 HE ARG 27 HE ARG 27 3.084 11.900 -3.554 207 1HH1 ARG 27 HH11 ARG 27 2.306 13.489 -6.399 208 2HH1 ARG 27 HH12 ARG 27 1.501 14.830 -5.654 209 1HH2 ARG 27 HH21 ARG 27 1.521 13.420 -2.486 210 2HH2 ARG 27 HH22 ARG 27 1.051 14.788 -3.437 211 H ARG 28 HN ARG 28 0.119 6.664 -4.275 212 HA ARG 28 HA ARG 28 -0.336 6.465 -7.057 213 1HB ARG 28 HB2 ARG 28 -0.158 4.375 -4.886 214 2HB ARG 28 HB1 ARG 28 -0.271 3.987 -6.603 215 1HG ARG 28 HG2 ARG 28 1.756 5.323 -7.043 216 2HG ARG 28 HG1 ARG 28 1.874 5.709 -5.326 217 1HD ARG 28 HD2 ARG 28 2.064 3.284 -4.821 218 2HD ARG 28 HD1 ARG 28 2.025 2.946 -6.545 219 HE ARG 28 HE ARG 28 4.256 4.047 -5.049 220 1HH1 ARG 28 HH21 ARG 28 4.515 1.935 -7.188 221 2HH1 ARG 28 HH22 ARG 28 5.202 2.828 -8.502 222 1HH2 ARG 28 HH11 ARG 28 4.390 5.925 -7.166 223 2HH2 ARG 28 HH12 ARG 28 5.131 5.089 -8.491 224 H ILE 29 HN ILE 29 -2.337 5.631 -4.261 225 HA ILE 29 HA ILE 29 -4.456 4.421 -5.676 226 HB ILE 29 HB ILE 29 -4.346 5.764 -2.975 227 1HG1 ILE 29 HG12 ILE 29 -3.065 3.665 -3.212 228 2HG1 ILE 29 HG11 ILE 29 -4.441 3.443 -2.146 229 1HG2 ILE 29 HG21 ILE 29 -6.636 4.324 -4.331 230 2HG2 ILE 29 HG22 ILE 29 -6.643 5.944 -3.633 231 3HG2 ILE 29 HG23 ILE 29 -6.536 4.532 -2.584 232 1HD1 ILE 29 HD11 ILE 29 -5.586 2.697 -4.492 233 2HD1 ILE 29 HD12 ILE 29 -4.722 1.571 -3.455 234 3HD1 ILE 29 HD13 ILE 29 -3.909 2.288 -4.841 235 H GLN 30 HN GLN 30 -3.992 7.752 -4.578 236 HA GLN 30 HA GLN 30 -6.496 8.760 -5.505 237 1HB GLN 30 HB2 GLN 30 -4.997 9.982 -3.909 238 2HB GLN 30 HB1 GLN 30 -3.868 10.254 -5.235 239 1HG GLN 30 HG2 GLN 30 -5.606 11.485 -6.479 240 2HG GLN 30 HG1 GLN 30 -6.756 11.200 -5.173 241 1HE2 GLN 30 HE21 GLN 30 -5.847 13.843 -6.082 242 2HE2 GLN 30 HE22 GLN 30 -5.059 14.562 -4.762 243 H TYR 31 HN TYR 31 -3.346 8.484 -7.188 244 HA TYR 31 HA TYR 31 -4.282 9.847 -9.484 245 1HB TYR 31 HB2 TYR 31 -1.873 9.526 -9.050 246 2HB TYR 31 HB1 TYR 31 -2.071 7.783 -9.234 247 HD1 TYR 31 HD1 TYR 31 -2.490 6.780 -11.422 248 HD2 TYR 31 HD2 TYR 31 -2.033 11.026 -10.974 249 HE1 TYR 31 HE1 TYR 31 -2.240 7.012 -13.879 250 HE2 TYR 31 HE2 TYR 31 -1.782 11.259 -13.429 251 HH TYR 31 HH TYR 31 -1.967 10.213 -15.397 252 H ALA 32 HN ALA 32 -4.287 6.444 -8.535 253 HA ALA 32 HA ALA 32 -5.234 5.457 -11.024 254 1HB ALA 32 HB1 ALA 32 -5.813 3.417 -9.615 255 2HB ALA 32 HB2 ALA 32 -5.185 4.318 -8.234 256 3HB ALA 32 HB3 ALA 32 -4.126 3.932 -9.591 257 H PHE 33 HN PHE 33 -6.812 6.443 -8.034 258 HA PHE 33 HA PHE 33 -9.489 6.090 -9.295 259 1HB PHE 33 HB2 PHE 33 -8.722 5.975 -6.374 260 2HB PHE 33 HB1 PHE 33 -10.351 5.805 -7.022 261 HD1 PHE 33 HD1 PHE 33 -7.042 4.217 -6.706 262 HD2 PHE 33 HD2 PHE 33 -11.025 3.799 -8.255 263 HE1 PHE 33 HE1 PHE 33 -6.638 1.803 -7.082 264 HE2 PHE 33 HE2 PHE 33 -10.622 1.379 -8.629 265 HZ PHE 33 HZ PHE 33 -8.428 0.382 -8.040 266 HA PRO 34 HA PRO 34 -8.962 10.612 -8.526 267 1HB PRO 34 HB2 PRO 34 -10.553 11.140 -10.888 268 2HB PRO 34 HB1 PRO 34 -8.833 11.454 -10.620 269 1HG PRO 34 HG2 PRO 34 -9.875 9.543 -12.348 270 2HG PRO 34 HG1 PRO 34 -8.213 9.590 -11.741 271 1HD PRO 34 HD2 PRO 34 -10.477 7.844 -10.889 272 2HD PRO 34 HD1 PRO 34 -8.726 7.535 -10.856 273 H ASP 35 HN ASP 35 -11.804 8.750 -9.341 274 HA ASP 35 HA ASP 35 -13.672 10.763 -8.377 275 1HB ASP 35 HB2 ASP 35 -14.019 8.083 -9.695 276 2HB ASP 35 HB1 ASP 35 -15.376 9.038 -9.105 277 H ASN 36 HN ASN 36 -12.011 8.134 -6.859 278 HA ASN 36 HA ASN 36 -14.203 7.945 -4.861 279 1HB ASN 36 HB2 ASN 36 -12.247 5.813 -5.694 280 2HB ASN 36 HB1 ASN 36 -13.450 5.653 -4.421 281 1HD2 ASN 36 HD21 ASN 36 -15.723 6.789 -5.526 282 2HD2 ASN 36 HD22 ASN 36 -16.167 5.962 -6.941 283 H GLU 37 HN GLU 37 -13.553 8.580 -2.708 284 HA GLU 37 HA GLU 37 -10.997 9.522 -2.066 285 1HB GLU 37 HB2 GLU 37 -13.182 8.353 -0.342 286 2HB GLU 37 HB1 GLU 37 -11.864 9.382 0.205 287 1HG GLU 37 HG2 GLU 37 -12.716 11.240 -1.206 288 2HG GLU 37 HG1 GLU 37 -14.024 10.198 -1.776 289 H GLY 38 HN GLY 38 -9.176 8.316 -1.682 290 1HA GLY 38 HA2 GLY 38 -9.460 5.433 -0.937 291 2HA GLY 38 HA1 GLY 38 -8.125 5.988 -1.697 292 H HIS 39 HN HIS 39 -8.941 4.986 1.325 293 HA HIS 39 HA HIS 39 -7.049 6.860 2.602 294 1HB HIS 39 HB2 HIS 39 -9.292 6.917 3.608 295 2HB HIS 39 HB1 HIS 39 -9.243 5.171 3.847 296 HD1 HIS 39 HD1 HIS 39 -6.913 8.086 4.725 297 HD2 HIS 39 HD2 HIS 39 -8.455 4.599 6.409 298 HE1 HIS 39 HE1 HIS 39 -5.967 7.944 7.071 299 H VAL 40 HN VAL 40 -5.096 5.866 3.088 300 HA VAL 40 HA VAL 40 -5.006 2.922 3.113 301 HB VAL 40 HB VAL 40 -2.829 4.908 2.463 302 1HG1 VAL 40 HG11 VAL 40 -1.880 2.870 3.306 303 2HG1 VAL 40 HG12 VAL 40 -1.757 2.801 1.548 304 3HG1 VAL 40 HG13 VAL 40 -3.017 1.890 2.379 305 1HG2 VAL 40 HG21 VAL 40 -4.584 4.948 0.759 306 2HG2 VAL 40 HG22 VAL 40 -4.616 3.187 0.711 307 3HG2 VAL 40 HG23 VAL 40 -3.198 4.056 0.129 308 H SER 41 HN SER 41 -4.357 1.930 4.891 309 HA SER 41 HA SER 41 -2.861 3.460 6.942 310 1HB SER 41 HB2 SER 41 -5.103 1.477 7.428 311 2HB SER 41 HB1 SER 41 -4.036 2.082 8.692 312 HG SER 41 HG SER 41 -6.196 3.235 7.599 313 H VAL 42 HN VAL 42 -1.182 2.463 7.916 314 HA VAL 42 HA VAL 42 -0.644 -0.351 7.178 315 HB VAL 42 HB VAL 42 1.432 1.870 7.212 316 1HG1 VAL 42 HG11 VAL 42 1.627 -1.047 6.403 317 2HG1 VAL 42 HG12 VAL 42 2.299 -0.345 7.875 318 3HG1 VAL 42 HG13 VAL 42 2.930 0.137 6.301 319 1HG2 VAL 42 HG21 VAL 42 -0.276 1.800 5.253 320 2HG2 VAL 42 HG22 VAL 42 0.555 0.323 4.773 321 3HG2 VAL 42 HG23 VAL 42 1.439 1.843 4.851 322 H ARG 43 HN ARG 43 -0.202 -1.600 8.846 323 HA ARG 43 HA ARG 43 1.016 -0.452 11.236 324 1HB ARG 43 HB2 ARG 43 -1.297 -0.122 11.762 325 2HB ARG 43 HB1 ARG 43 -1.722 -1.742 11.219 326 1HG ARG 43 HG2 ARG 43 -0.559 -2.753 13.062 327 2HG ARG 43 HG1 ARG 43 0.165 -1.214 13.528 328 1HD ARG 43 HD2 ARG 43 -2.823 -1.708 13.489 329 2HD ARG 43 HD1 ARG 43 -1.826 -1.913 14.928 330 HE ARG 43 HE ARG 43 -1.249 0.625 13.991 331 1HH1 ARG 43 HH11 ARG 43 -2.999 -0.583 16.435 332 2HH1 ARG 43 HH12 ARG 43 -4.287 0.574 16.407 333 1HH2 ARG 43 HH21 ARG 43 -3.379 1.906 13.339 334 2HH2 ARG 43 HH22 ARG 43 -4.504 1.982 14.654 335 H TYR 44 HN TYR 44 1.768 -2.104 12.761 336 HA TYR 44 HA TYR 44 2.697 -4.507 11.358 337 1HB TYR 44 HB2 TYR 44 3.213 -3.407 14.142 338 2HB TYR 44 HB1 TYR 44 3.842 -4.950 13.586 339 HD1 TYR 44 HD1 TYR 44 5.003 -4.776 11.123 340 HD2 TYR 44 HD2 TYR 44 4.675 -1.593 13.996 341 HE1 TYR 44 HE1 TYR 44 6.948 -3.638 10.091 342 HE2 TYR 44 HE2 TYR 44 6.618 -0.461 12.963 343 HH TYR 44 HH TYR 44 8.418 -0.811 11.558 344 H ALA 45 HN ALA 45 2.108 -6.562 11.719 345 HA ALA 45 HA ALA 45 0.097 -7.126 13.785 346 1HB ALA 45 HB1 ALA 45 -1.067 -6.611 11.607 347 2HB ALA 45 HB2 ALA 45 -1.343 -8.248 12.205 348 3HB ALA 45 HB3 ALA 45 -0.200 -7.970 10.891 349 H ALA 46 HN ALA 46 -0.220 -9.575 13.922 350 HA ALA 46 HA ALA 46 2.306 -10.800 14.238 351 1HB ALA 46 HB1 ALA 46 1.000 -12.903 14.608 352 2HB ALA 46 HB2 ALA 46 -0.456 -12.053 14.092 353 3HB ALA 46 HB3 ALA 46 0.385 -11.551 15.559 354 H ALA 47 HN ALA 47 0.164 -10.623 11.487 355 HA ALA 47 HA ALA 47 2.178 -12.144 9.941 356 1HB ALA 47 HB1 ALA 47 -0.784 -12.601 9.605 357 2HB ALA 47 HB2 ALA 47 0.241 -13.622 10.613 358 3HB ALA 47 HB3 ALA 47 0.543 -13.507 8.879 359 H ASN 48 HN ASN 48 2.239 -11.756 7.704 360 HA ASN 48 HA ASN 48 1.562 -9.059 6.912 361 1HB ASN 48 HB2 ASN 48 2.589 -9.625 4.813 362 2HB ASN 48 HB1 ASN 48 3.588 -10.296 6.101 363 1HD2 ASN 48 HD21 ASN 48 3.415 -11.282 3.308 364 2HD2 ASN 48 HD22 ASN 48 2.865 -12.886 3.408 365 H ASN 49 HN ASN 49 -0.318 -8.425 5.987 366 HA ASN 49 HA ASN 49 -1.923 -10.278 4.405 367 1HB ASN 49 HB2 ASN 49 -2.588 -10.502 6.884 368 2HB ASN 49 HB1 ASN 49 -3.251 -8.882 6.721 369 1HD2 ASN 49 HD21 ASN 49 -5.417 -9.918 7.092 370 2HD2 ASN 49 HD22 ASN 49 -6.195 -10.683 5.792 371 H LEU 50 HN LEU 50 -3.417 -9.211 3.069 372 HA LEU 50 HA LEU 50 -3.306 -6.252 3.036 373 1HB LEU 50 HB2 LEU 50 -1.942 -7.177 1.187 374 2HB LEU 50 HB1 LEU 50 -3.307 -8.165 0.674 375 HG LEU 50 HG LEU 50 -4.633 -6.119 0.241 376 1HD1 LEU 50 HD11 LEU 50 -3.875 -4.474 1.692 377 2HD1 LEU 50 HD12 LEU 50 -3.191 -3.943 0.159 378 3HD1 LEU 50 HD13 LEU 50 -2.176 -4.782 1.331 379 1HD2 LEU 50 HD21 LEU 50 -3.299 -5.285 -1.706 380 2HD2 LEU 50 HD22 LEU 50 -3.344 -7.044 -1.623 381 3HD2 LEU 50 HD23 LEU 50 -1.904 -6.172 -1.096 382 H SER 51 HN SER 51 -5.366 -5.456 3.343 383 HA SER 51 HA SER 51 -7.645 -7.179 2.534 384 1HB SER 51 HB2 SER 51 -8.821 -5.960 4.450 385 2HB SER 51 HB1 SER 51 -7.623 -7.171 4.899 386 HG SER 51 HG SER 51 -7.329 -5.214 6.044 387 H VAL 52 HN VAL 52 -9.055 -6.216 1.146 388 HA VAL 52 HA VAL 52 -9.016 -3.278 0.899 389 HB VAL 52 HB VAL 52 -9.357 -5.312 -1.325 390 1HG1 VAL 52 HG11 VAL 52 -9.352 -3.233 -2.761 391 2HG1 VAL 52 HG12 VAL 52 -9.512 -2.284 -1.283 392 3HG1 VAL 52 HG13 VAL 52 -10.786 -3.410 -1.750 393 1HG2 VAL 52 HG21 VAL 52 -7.156 -3.362 -0.591 394 2HG2 VAL 52 HG22 VAL 52 -7.274 -4.122 -2.178 395 3HG2 VAL 52 HG23 VAL 52 -7.031 -5.114 -0.740 396 H ILE 53 HN ILE 53 -10.968 -2.386 1.337 397 HA ILE 53 HA ILE 53 -13.390 -4.092 1.082 398 HB ILE 53 HB ILE 53 -12.830 -1.916 3.112 399 1HG1 ILE 53 HG12 ILE 53 -13.266 -4.868 3.641 400 2HG1 ILE 53 HG11 ILE 53 -11.653 -4.205 3.366 401 1HG2 ILE 53 HG21 ILE 53 -15.227 -3.658 2.516 402 2HG2 ILE 53 HG22 ILE 53 -15.160 -1.900 2.642 403 3HG2 ILE 53 HG23 ILE 53 -14.997 -2.895 4.089 404 1HD1 ILE 53 HD11 ILE 53 -13.600 -3.383 5.538 405 2HD1 ILE 53 HD12 ILE 53 -12.068 -2.569 5.218 406 3HD1 ILE 53 HD13 ILE 53 -12.079 -4.247 5.758 407 H GLY 54 HN GLY 54 -14.888 -3.345 -0.280 408 1HA GLY 54 HA2 GLY 54 -16.343 -1.674 -1.135 409 2HA GLY 54 HA1 GLY 54 -15.157 -0.445 -0.703 410 H ALA 55 HN ALA 55 -13.827 -3.194 -2.291 411 HA ALA 55 HA ALA 55 -13.759 -1.685 -4.851 412 1HB ALA 55 HB1 ALA 55 -11.498 -3.479 -4.015 413 2HB ALA 55 HB2 ALA 55 -11.606 -1.852 -3.350 414 3HB ALA 55 HB3 ALA 55 -11.479 -2.083 -5.094 415 H THR 56 HN THR 56 -13.274 -2.929 -6.741 416 HA THR 56 HA THR 56 -14.740 -5.494 -6.960 417 HB THR 56 HB THR 56 -14.571 -5.030 -9.315 418 HG1 THR 56 HG1 THR 56 -13.584 -2.595 -9.357 419 1HG2 THR 56 HG21 THR 56 -15.298 -2.455 -7.895 420 2HG2 THR 56 HG22 THR 56 -16.343 -3.875 -7.944 421 3HG2 THR 56 HG23 THR 56 -15.926 -3.034 -9.438 422 H LYS 57 HN LYS 57 -13.816 -7.228 -8.063 423 HA LYS 57 HA LYS 57 -11.318 -8.031 -7.145 424 1HB LYS 57 HB2 LYS 57 -12.832 -9.001 -9.590 425 2HB LYS 57 HB1 LYS 57 -11.489 -9.850 -8.835 426 1HG LYS 57 HG2 LYS 57 -12.799 -10.083 -6.742 427 2HG LYS 57 HG1 LYS 57 -14.141 -9.209 -7.487 428 1HD LYS 57 HD2 LYS 57 -12.966 -11.812 -8.515 429 2HD LYS 57 HD1 LYS 57 -14.447 -11.676 -7.570 430 1HE LYS 57 HE2 LYS 57 -14.998 -9.885 -9.559 431 2HE LYS 57 HE1 LYS 57 -13.978 -11.027 -10.435 432 1HZ LYS 57 HZ1 LYS 57 -15.813 -12.403 -8.776 433 2HZ LYS 57 HZ2 LYS 57 -15.618 -12.489 -10.462 434 3HZ LYS 57 HZ3 LYS 57 -16.642 -11.317 -9.780 435 H GLU 58 HN GLU 58 -12.114 -6.508 -10.328 436 HA GLU 58 HA GLU 58 -9.508 -6.872 -11.391 437 1HB GLU 58 HB2 GLU 58 -11.547 -6.388 -12.743 438 2HB GLU 58 HB1 GLU 58 -11.589 -4.769 -12.047 439 1HG GLU 58 HG2 GLU 58 -9.356 -4.302 -12.968 440 2HG GLU 58 HG1 GLU 58 -9.288 -5.927 -13.647 441 H ASP 59 HN ASP 59 -11.030 -4.311 -9.471 442 HA ASP 59 HA ASP 59 -8.923 -2.439 -9.683 443 1HB ASP 59 HB2 ASP 59 -11.027 -2.892 -7.556 444 2HB ASP 59 HB1 ASP 59 -9.885 -1.550 -7.506 445 H LYS 60 HN LYS 60 -9.670 -5.056 -7.447 446 HA LYS 60 HA LYS 60 -7.459 -4.623 -5.718 447 1HB LYS 60 HB2 LYS 60 -9.404 -5.963 -5.006 448 2HB LYS 60 HB1 LYS 60 -9.013 -7.180 -6.219 449 1HG LYS 60 HG2 LYS 60 -6.845 -7.600 -5.117 450 2HG LYS 60 HG1 LYS 60 -7.214 -6.362 -3.914 451 1HD LYS 60 HD2 LYS 60 -9.067 -7.639 -3.065 452 2HD LYS 60 HD1 LYS 60 -8.958 -8.790 -4.397 453 1HE LYS 60 HE2 LYS 60 -7.925 -9.727 -2.370 454 2HE LYS 60 HE1 LYS 60 -6.706 -9.463 -3.619 455 1HZ LYS 60 HZ1 LYS 60 -6.200 -7.317 -2.553 456 2HZ LYS 60 HZ2 LYS 60 -5.895 -8.643 -1.535 457 3HZ LYS 60 HZ3 LYS 60 -7.285 -7.694 -1.306 458 H GLN 61 HN GLN 61 -7.683 -6.633 -8.674 459 HA GLN 61 HA GLN 61 -5.105 -7.798 -8.295 460 1HB GLN 61 HB2 GLN 61 -6.823 -8.614 -9.947 461 2HB GLN 61 HB1 GLN 61 -6.513 -7.171 -10.911 462 1HG GLN 61 HG2 GLN 61 -5.177 -8.973 -11.813 463 2HG GLN 61 HG1 GLN 61 -4.091 -7.839 -11.010 464 1HE2 GLN 61 HE21 GLN 61 -6.009 -10.790 -10.177 465 2HE2 GLN 61 HE22 GLN 61 -4.808 -11.457 -9.179 466 H ARG 62 HN ARG 62 -6.256 -4.811 -9.905 467 HA ARG 62 HA ARG 62 -3.753 -4.040 -10.898 468 1HB ARG 62 HB2 ARG 62 -5.828 -2.972 -11.656 469 2HB ARG 62 HB1 ARG 62 -6.099 -2.309 -10.046 470 1HG ARG 62 HG2 ARG 62 -4.038 -0.977 -10.228 471 2HG ARG 62 HG1 ARG 62 -3.716 -1.668 -11.818 472 1HD ARG 62 HD2 ARG 62 -5.738 -0.673 -12.715 473 2HD ARG 62 HD1 ARG 62 -6.210 -0.101 -11.118 474 HE ARG 62 HE ARG 62 -4.793 1.700 -11.429 475 1HH1 ARG 62 HH21 ARG 62 -4.359 -0.593 -13.947 476 2HH1 ARG 62 HH22 ARG 62 -2.950 0.170 -14.605 477 1HH2 ARG 62 HH11 ARG 62 -2.763 2.575 -12.110 478 2HH2 ARG 62 HH12 ARG 62 -2.046 1.966 -13.563 479 H ILE 63 HN ILE 63 -5.331 -3.327 -7.811 480 HA ILE 63 HA ILE 63 -3.265 -1.687 -6.814 481 HB ILE 63 HB ILE 63 -5.326 -3.335 -5.386 482 1HG1 ILE 63 HG12 ILE 63 -5.082 -0.333 -5.586 483 2HG1 ILE 63 HG11 ILE 63 -5.935 -1.279 -6.805 484 1HG2 ILE 63 HG21 ILE 63 -3.168 -1.538 -4.290 485 2HG2 ILE 63 HG22 ILE 63 -3.628 -3.152 -3.750 486 3HG2 ILE 63 HG23 ILE 63 -4.681 -1.777 -3.412 487 1HD1 ILE 63 HD11 ILE 63 -6.572 -1.159 -3.843 488 2HD1 ILE 63 HD12 ILE 63 -7.364 -2.241 -4.989 489 3HD1 ILE 63 HD13 ILE 63 -7.543 -0.495 -5.157 490 H SER 64 HN SER 64 -3.679 -5.192 -6.572 491 HA SER 64 HA SER 64 -1.399 -5.621 -4.928 492 1HB SER 64 HB2 SER 64 -2.518 -7.420 -7.100 493 2HB SER 64 HB1 SER 64 -1.371 -7.910 -5.856 494 HG SER 64 HG SER 64 -2.917 -7.799 -4.370 495 H GLU 65 HN GLU 65 -1.799 -5.311 -8.500 496 HA GLU 65 HA GLU 65 0.896 -5.838 -9.115 497 1HB GLU 65 HB2 GLU 65 -1.218 -4.246 -10.583 498 2HB GLU 65 HB1 GLU 65 0.389 -4.559 -11.240 499 1HG GLU 65 HG2 GLU 65 0.016 -6.978 -11.058 500 2HG GLU 65 HG1 GLU 65 -1.576 -6.694 -10.357 501 H ILE 66 HN ILE 66 -0.791 -2.790 -8.378 502 HA ILE 66 HA ILE 66 1.397 -1.091 -8.866 503 HB ILE 66 HB ILE 66 -0.953 -0.793 -6.983 504 1HG1 ILE 66 HG12 ILE 66 -0.300 0.584 -9.606 505 2HG1 ILE 66 HG11 ILE 66 -1.298 -0.867 -9.501 506 1HG2 ILE 66 HG21 ILE 66 -0.252 1.683 -7.104 507 2HG2 ILE 66 HG22 ILE 66 1.304 1.091 -7.684 508 3HG2 ILE 66 HG23 ILE 66 0.733 0.639 -6.078 509 1HD1 ILE 66 HD11 ILE 66 -1.862 1.806 -8.186 510 2HD1 ILE 66 HD12 ILE 66 -2.823 0.349 -7.936 511 3HD1 ILE 66 HD13 ILE 66 -2.746 1.093 -9.533 512 H LEU 67 HN LEU 67 0.372 -2.757 -5.922 513 HA LEU 67 HA LEU 67 2.372 -1.722 -4.225 514 1HB LEU 67 HB2 LEU 67 0.552 -2.887 -3.188 515 2HB LEU 67 HB1 LEU 67 0.789 -4.305 -4.200 516 HG LEU 67 HG LEU 67 3.028 -4.663 -3.057 517 1HD1 LEU 67 HD11 LEU 67 3.633 -2.565 -2.151 518 2HD1 LEU 67 HD12 LEU 67 3.108 -3.476 -0.739 519 3HD1 LEU 67 HD13 LEU 67 2.028 -2.291 -1.471 520 1HD2 LEU 67 HD21 LEU 67 1.999 -5.495 -0.945 521 2HD2 LEU 67 HD22 LEU 67 1.060 -5.928 -2.373 522 3HD2 LEU 67 HD23 LEU 67 0.529 -4.602 -1.338 523 H GLN 68 HN GLN 68 2.301 -4.509 -6.375 524 HA GLN 68 HA GLN 68 4.868 -5.511 -5.689 525 1HB GLN 68 HB2 GLN 68 3.216 -6.809 -6.997 526 2HB GLN 68 HB1 GLN 68 3.381 -5.661 -8.324 527 1HG GLN 68 HG2 GLN 68 5.695 -6.250 -8.646 528 2HG GLN 68 HG1 GLN 68 5.701 -7.227 -7.177 529 1HE2 GLN 68 HE21 GLN 68 6.449 -8.538 -9.504 530 2HE2 GLN 68 HE22 GLN 68 5.210 -9.579 -10.018 531 H GLU 69 HN GLU 69 3.897 -3.313 -8.380 532 HA GLU 69 HA GLU 69 6.498 -2.924 -9.319 533 1HB GLU 69 HB2 GLU 69 4.046 -1.162 -9.429 534 2HB GLU 69 HB1 GLU 69 5.546 -0.783 -10.277 535 1HG GLU 69 HG2 GLU 69 5.423 -2.871 -11.523 536 2HG GLU 69 HG1 GLU 69 3.999 -3.367 -10.611 537 H THR 70 HN THR 70 4.715 -1.051 -6.874 538 HA THR 70 HA THR 70 6.637 0.961 -6.488 539 HB THR 70 HB THR 70 4.749 -0.241 -4.494 540 HG1 THR 70 HG1 THR 70 3.559 0.569 -6.126 541 1HG2 THR 70 HG21 THR 70 4.962 2.030 -3.428 542 2HG2 THR 70 HG22 THR 70 6.299 2.341 -4.536 543 3HG2 THR 70 HG23 THR 70 6.426 1.048 -3.345 544 H TRP 71 HN TRP 71 6.093 -2.051 -4.825 545 HA TRP 71 HA TRP 71 8.166 -1.979 -3.010 546 1HB TRP 71 HB2 TRP 71 6.181 -3.459 -3.020 547 2HB TRP 71 HB1 TRP 71 6.904 -4.356 -4.342 548 HD1 TRP 71 HD1 TRP 71 7.619 -6.572 -3.393 549 HE1 TRP 71 HE1 TRP 71 8.942 -7.394 -1.349 550 HE3 TRP 71 HE3 TRP 71 8.229 -2.149 -0.830 551 HZ2 TRP 71 HZ2 TRP 71 10.084 -6.355 1.041 552 HZ3 TRP 71 HZ3 TRP 71 9.425 -2.127 1.323 553 HH2 TRP 71 HH2 TRP 71 10.347 -4.219 2.271 554 H GLU 72 HN GLU 72 8.137 -3.118 -6.319 555 HA GLU 72 HA GLU 72 10.842 -4.059 -6.246 556 1HB GLU 72 HB2 GLU 72 8.948 -3.561 -8.548 557 2HB GLU 72 HB1 GLU 72 10.576 -4.204 -8.761 558 1HG GLU 72 HG2 GLU 72 10.036 -6.084 -7.262 559 2HG GLU 72 HG1 GLU 72 8.408 -5.448 -7.044 560 H SER 73 HN SER 73 9.526 -0.878 -6.660 561 HA SER 73 HA SER 73 12.074 0.012 -7.902 562 1HB SER 73 HB2 SER 73 10.932 1.956 -8.656 563 2HB SER 73 HB1 SER 73 9.831 0.617 -8.967 564 HG SER 73 HG SER 73 9.366 2.766 -7.544 565 H ALA 74 HN ALA 74 11.459 -0.630 -4.977 566 HA ALA 74 HA ALA 74 11.262 1.515 -3.356 567 1HB ALA 74 HB1 ALA 74 11.264 -0.721 -2.545 568 2HB ALA 74 HB2 ALA 74 12.546 0.177 -1.730 569 3HB ALA 74 HB3 ALA 74 12.945 -0.947 -3.029 570 H ASP 75 HN ASP 75 14.283 0.441 -4.896 571 HA ASP 75 HA ASP 75 16.029 2.062 -3.406 572 1HB ASP 75 HB2 ASP 75 16.738 0.178 -4.864 573 2HB ASP 75 HB1 ASP 75 16.360 1.167 -6.276 574 H ASP 76 HN ASP 76 13.848 2.894 -5.978 575 HA ASP 76 HA ASP 76 15.243 5.411 -6.596 576 1HB ASP 76 HB2 ASP 76 14.229 4.006 -8.394 577 2HB ASP 76 HB1 ASP 76 12.645 4.324 -7.693 578 H TRP 77 HN TRP 77 12.083 4.426 -5.213 579 HA TRP 77 HA TRP 77 11.526 7.263 -4.620 580 1HB TRP 77 HB2 TRP 77 9.305 6.684 -4.288 581 2HB TRP 77 HB1 TRP 77 9.829 5.675 -5.618 582 HD1 TRP 77 HD1 TRP 77 9.820 3.052 -5.262 583 HE1 TRP 77 HE1 TRP 77 9.019 1.540 -3.358 584 HE3 TRP 77 HE3 TRP 77 9.143 6.533 -1.469 585 HZ2 TRP 77 HZ2 TRP 77 8.209 1.724 -0.648 586 HZ3 TRP 77 HZ3 TRP 77 8.347 5.779 0.714 587 HH2 TRP 77 HH2 TRP 77 7.880 3.407 1.135 588 H PHE 78 HN PHE 78 12.687 4.505 -2.817 589 HA PHE 78 HA PHE 78 11.821 5.715 -0.270 590 1HB PHE 78 HB2 PHE 78 11.804 3.265 -0.378 591 2HB PHE 78 HB1 PHE 78 13.510 3.261 -0.804 592 HD1 PHE 78 HD1 PHE 78 11.317 4.869 1.825 593 HD2 PHE 78 HD2 PHE 78 15.008 2.798 0.966 594 HE1 PHE 78 HE1 PHE 78 11.942 4.948 4.215 595 HE2 PHE 78 HE2 PHE 78 15.602 2.885 3.361 596 HZ PHE 78 HZ PHE 78 14.072 3.956 4.987 597 H VAL 79 HN VAL 79 12.934 7.105 0.822 598 HA VAL 79 HA VAL 79 15.788 7.534 0.166 599 HB VAL 79 HB VAL 79 14.008 9.696 1.287 600 1HG1 VAL 79 HG11 VAL 79 16.164 9.862 -0.825 601 2HG1 VAL 79 HG12 VAL 79 16.528 9.908 0.901 602 3HG1 VAL 79 HG13 VAL 79 15.519 11.161 0.178 603 1HG2 VAL 79 HG21 VAL 79 14.058 8.785 -1.610 604 2HG2 VAL 79 HG22 VAL 79 13.417 10.337 -1.073 605 3HG2 VAL 79 HG23 VAL 79 12.651 8.836 -0.543 606 H SER 80 HN SER 80 17.214 7.740 2.027 607 HA SER 80 HA SER 80 15.893 7.538 4.678 608 1HB SER 80 HB2 SER 80 18.448 6.103 3.883 609 2HB SER 80 HB1 SER 80 17.577 5.972 5.406 610 HG SER 80 HG SER 80 15.890 5.493 3.397 611 H GLU 81 HN GLU 81 16.707 8.799 6.233 612 HA GLU 81 HA GLU 81 18.310 11.028 5.561 613 1HB GLU 81 HB2 GLU 81 17.563 9.880 8.258 614 2HB GLU 81 HB1 GLU 81 18.320 11.456 8.015 615 1HG GLU 81 HG2 GLU 81 16.427 12.151 6.599 616 2HG GLU 81 HG1 GLU 81 15.664 10.581 6.839 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -14.857 3.792 -0.222 2 2H MET 1 HT2 MET 1 -14.057 4.193 -1.667 3 3H MET 1 HT3 MET 1 -13.413 4.681 -0.172 4 HA MET 1 HA MET 1 -13.822 1.847 -0.355 5 1HB MET 1 HB2 MET 1 -11.963 1.456 -1.917 6 2HB MET 1 HB1 MET 1 -13.252 2.357 -2.714 7 1HG MET 1 HG2 MET 1 -12.009 4.477 -2.127 8 2HG MET 1 HG1 MET 1 -10.664 3.467 -1.602 9 1HE MET 1 HE1 MET 1 -9.186 1.922 -4.659 10 2HE MET 1 HE2 MET 1 -10.184 1.196 -3.403 11 3HE MET 1 HE3 MET 1 -9.003 2.430 -2.976 12 H ARG 2 HN ARG 2 -12.344 0.894 1.072 13 HA ARG 2 HA ARG 2 -10.316 2.694 2.287 14 1HB ARG 2 HB2 ARG 2 -12.213 2.351 3.832 15 2HB ARG 2 HB1 ARG 2 -11.989 0.606 3.715 16 1HG ARG 2 HG2 ARG 2 -9.807 0.735 4.728 17 2HG ARG 2 HG1 ARG 2 -9.812 2.498 4.639 18 1HD ARG 2 HD2 ARG 2 -11.585 2.652 6.259 19 2HD ARG 2 HD1 ARG 2 -11.854 0.912 6.213 20 HE ARG 2 HE ARG 2 -9.221 1.212 6.991 21 1HH1 ARG 2 HH21 ARG 2 -12.259 2.479 8.052 22 2HH1 ARG 2 HH22 ARG 2 -11.841 2.454 9.733 23 1HH2 ARG 2 HH11 ARG 2 -8.695 1.099 9.206 24 2HH2 ARG 2 HH12 ARG 2 -9.825 1.678 10.384 25 H ILE 3 HN ILE 3 -8.314 1.914 2.404 26 HA ILE 3 HA ILE 3 -7.841 -0.942 1.700 27 HB ILE 3 HB ILE 3 -6.132 1.495 1.161 28 1HG1 ILE 3 HG12 ILE 3 -7.407 -0.334 -0.882 29 2HG1 ILE 3 HG11 ILE 3 -8.295 1.039 -0.223 30 1HG2 ILE 3 HG21 ILE 3 -5.732 -1.464 0.692 31 2HG2 ILE 3 HG22 ILE 3 -4.654 -0.333 1.508 32 3HG2 ILE 3 HG23 ILE 3 -4.864 -0.245 -0.241 33 1HD1 ILE 3 HD11 ILE 3 -6.848 1.335 -2.409 34 2HD1 ILE 3 HD12 ILE 3 -5.511 1.477 -1.269 35 3HD1 ILE 3 HD13 ILE 3 -6.866 2.601 -1.183 36 H GLU 4 HN GLU 4 -6.902 -2.081 3.316 37 HA GLU 4 HA GLU 4 -5.218 -0.639 5.307 38 1HB GLU 4 HB2 GLU 4 -7.050 -3.004 5.828 39 2HB GLU 4 HB1 GLU 4 -5.985 -2.249 7.013 40 1HG GLU 4 HG2 GLU 4 -7.184 -0.109 6.732 41 2HG GLU 4 HG1 GLU 4 -8.251 -0.862 5.549 42 H VAL 5 HN VAL 5 -3.214 -1.325 5.509 43 HA VAL 5 HA VAL 5 -2.483 -4.002 4.411 44 HB VAL 5 HB VAL 5 -0.691 -1.580 4.529 45 1HG1 VAL 5 HG11 VAL 5 0.531 -2.911 2.761 46 2HG1 VAL 5 HG12 VAL 5 -0.551 -4.255 3.123 47 3HG1 VAL 5 HG13 VAL 5 0.537 -3.638 4.368 48 1HG2 VAL 5 HG21 VAL 5 -2.327 -0.843 3.019 49 2HG2 VAL 5 HG22 VAL 5 -2.646 -2.465 2.416 50 3HG2 VAL 5 HG23 VAL 5 -1.167 -1.630 1.951 51 H THR 6 HN THR 6 -1.370 -5.372 5.695 52 HA THR 6 HA THR 6 -0.278 -4.315 8.252 53 HB THR 6 HB THR 6 -0.821 -6.528 9.240 54 HG1 THR 6 HG1 THR 6 -1.210 -7.163 6.747 55 1HG2 THR 6 HG21 THR 6 -3.212 -6.080 9.494 56 2HG2 THR 6 HG22 THR 6 -3.200 -5.078 8.041 57 3HG2 THR 6 HG23 THR 6 -2.322 -4.554 9.481 58 H ILE 7 HN ILE 7 1.719 -4.816 8.734 59 HA ILE 7 HA ILE 7 3.226 -6.660 6.965 60 HB ILE 7 HB ILE 7 3.901 -4.063 8.325 61 1HG1 ILE 7 HG12 ILE 7 4.484 -5.070 5.520 62 2HG1 ILE 7 HG11 ILE 7 3.024 -4.182 5.951 63 1HG2 ILE 7 HG21 ILE 7 5.778 -6.290 7.482 64 2HG2 ILE 7 HG22 ILE 7 5.787 -5.358 8.978 65 3HG2 ILE 7 HG23 ILE 7 6.316 -4.609 7.472 66 1HD1 ILE 7 HD11 ILE 7 5.734 -3.049 6.628 67 2HD1 ILE 7 HD12 ILE 7 4.203 -2.205 6.398 68 3HD1 ILE 7 HD13 ILE 7 5.068 -2.856 5.007 69 H ALA 8 HN ALA 8 4.243 -8.362 7.924 70 HA ALA 8 HA ALA 8 3.710 -9.021 10.614 71 1HB ALA 8 HB1 ALA 8 5.654 -10.097 8.570 72 2HB ALA 8 HB2 ALA 8 4.125 -10.805 9.094 73 3HB ALA 8 HB3 ALA 8 5.509 -10.789 10.186 74 H LYS 9 HN LYS 9 4.673 -8.568 12.342 75 HA LYS 9 HA LYS 9 6.612 -6.583 12.607 76 1HB LYS 9 HB2 LYS 9 4.991 -7.139 14.399 77 2HB LYS 9 HB1 LYS 9 5.777 -8.693 14.630 78 1HG LYS 9 HG2 LYS 9 7.862 -7.542 15.321 79 2HG LYS 9 HG1 LYS 9 7.072 -5.977 15.101 80 1HD LYS 9 HD2 LYS 9 5.431 -6.503 16.811 81 2HD LYS 9 HD1 LYS 9 6.082 -8.134 16.981 82 1HE LYS 9 HE2 LYS 9 6.953 -6.709 18.771 83 2HE LYS 9 HE1 LYS 9 8.262 -7.165 17.680 84 1HZ LYS 9 HZ1 LYS 9 8.064 -5.056 16.568 85 2HZ LYS 9 HZ2 LYS 9 8.283 -4.793 18.232 86 3HZ LYS 9 HZ3 LYS 9 6.743 -4.619 17.537 87 H THR 10 HN THR 10 6.981 -9.991 12.138 88 HA THR 10 HA THR 10 9.590 -10.383 13.157 89 HB THR 10 HB THR 10 9.643 -12.201 11.361 90 HG1 THR 10 HG1 THR 10 8.242 -11.867 9.850 91 1HG2 THR 10 HG21 THR 10 8.875 -12.586 13.691 92 2HG2 THR 10 HG22 THR 10 7.998 -13.580 12.529 93 3HG2 THR 10 HG23 THR 10 7.239 -12.142 13.207 94 H SER 11 HN SER 11 8.412 -8.440 10.645 95 HA SER 11 HA SER 11 11.119 -8.218 9.431 96 1HB SER 11 HB2 SER 11 10.060 -7.670 7.332 97 2HB SER 11 HB1 SER 11 9.377 -9.186 7.911 98 HG SER 11 HG SER 11 7.772 -7.634 8.950 99 HA PRO 12 HA PRO 12 9.945 -4.082 11.228 100 1HB PRO 12 HB2 PRO 12 12.603 -3.889 12.337 101 2HB PRO 12 HB1 PRO 12 11.083 -4.086 13.225 102 1HG PRO 12 HG2 PRO 12 13.092 -5.991 13.072 103 2HG PRO 12 HG1 PRO 12 11.406 -6.318 13.504 104 1HD PRO 12 HD2 PRO 12 12.806 -6.778 10.895 105 2HD PRO 12 HD1 PRO 12 11.502 -7.701 11.660 106 H LEU 13 HN LEU 13 10.054 -2.274 10.259 107 HA LEU 13 HA LEU 13 12.169 -1.929 8.221 108 1HB LEU 13 HB2 LEU 13 9.502 -0.505 8.437 109 2HB LEU 13 HB1 LEU 13 10.615 -0.474 7.074 110 HG LEU 13 HG LEU 13 8.980 -2.828 8.060 111 1HD1 LEU 13 HD11 LEU 13 7.962 -1.084 6.492 112 2HD1 LEU 13 HD12 LEU 13 7.940 -2.746 5.905 113 3HD1 LEU 13 HD13 LEU 13 9.139 -1.612 5.286 114 1HD2 LEU 13 HD21 LEU 13 11.045 -3.851 7.507 115 2HD2 LEU 13 HD22 LEU 13 11.348 -2.735 6.179 116 3HD2 LEU 13 HD23 LEU 13 10.111 -3.982 6.020 117 HA PRO 14 HA PRO 14 14.063 1.204 10.617 118 1HB PRO 14 HB2 PRO 14 14.218 3.254 8.557 119 2HB PRO 14 HB1 PRO 14 15.509 2.188 9.133 120 1HG PRO 14 HG2 PRO 14 13.898 1.981 6.707 121 2HG PRO 14 HG1 PRO 14 15.396 1.143 7.127 122 1HD PRO 14 HD2 PRO 14 12.891 -0.066 6.999 123 2HD PRO 14 HD1 PRO 14 14.274 -0.716 7.899 124 H ALA 15 HN ALA 15 13.696 3.045 11.740 125 HA ALA 15 HA ALA 15 11.086 3.690 12.423 126 1HB ALA 15 HB1 ALA 15 12.015 5.218 13.931 127 2HB ALA 15 HB2 ALA 15 13.392 5.559 12.881 128 3HB ALA 15 HB3 ALA 15 13.276 4.005 13.706 129 H GLY 16 HN GLY 16 10.899 4.103 9.696 130 1HA GLY 16 HA2 GLY 16 9.799 6.722 9.533 131 2HA GLY 16 HA1 GLY 16 11.340 6.706 8.730 132 H ALA 17 HN ALA 17 10.786 3.738 8.221 133 HA ALA 17 HA ALA 17 9.935 4.092 5.522 134 1HB ALA 17 HB1 ALA 17 9.988 1.429 5.731 135 2HB ALA 17 HB2 ALA 17 10.852 1.825 7.218 136 3HB ALA 17 HB3 ALA 17 11.476 2.376 5.670 137 H ILE 18 HN ILE 18 8.156 2.759 8.276 138 HA ILE 18 HA ILE 18 6.028 1.782 6.717 139 HB ILE 18 HB ILE 18 6.123 2.869 9.537 140 1HG1 ILE 18 HG12 ILE 18 7.285 0.648 8.757 141 2HG1 ILE 18 HG11 ILE 18 6.328 0.647 10.230 142 1HG2 ILE 18 HG21 ILE 18 3.878 1.575 9.721 143 2HG2 ILE 18 HG22 ILE 18 3.803 1.757 7.969 144 3HG2 ILE 18 HG23 ILE 18 3.859 3.184 9.002 145 1HD1 ILE 18 HD11 ILE 18 5.070 -0.081 7.588 146 2HD1 ILE 18 HD12 ILE 18 4.526 -0.479 9.212 147 3HD1 ILE 18 HD13 ILE 18 5.945 -1.277 8.540 148 H ASP 19 HN ASP 19 6.547 4.912 8.277 149 HA ASP 19 HA ASP 19 4.170 6.107 7.301 150 1HB ASP 19 HB2 ASP 19 6.793 7.311 8.229 151 2HB ASP 19 HB1 ASP 19 5.389 8.280 7.783 152 H ALA 20 HN ALA 20 7.413 5.844 5.884 153 HA ALA 20 HA ALA 20 6.803 7.563 3.726 154 1HB ALA 20 HB1 ALA 20 9.122 6.636 4.514 155 2HB ALA 20 HB2 ALA 20 8.861 6.944 2.798 156 3HB ALA 20 HB3 ALA 20 8.765 5.298 3.424 157 H LEU 21 HN LEU 21 6.468 4.071 4.149 158 HA LEU 21 HA LEU 21 5.735 3.399 1.548 159 1HB LEU 21 HB2 LEU 21 6.431 1.724 3.119 160 2HB LEU 21 HB1 LEU 21 5.152 2.162 4.242 161 HG LEU 21 HG LEU 21 3.478 1.394 2.603 162 1HD1 LEU 21 HD11 LEU 21 4.392 -0.056 0.701 163 2HD1 LEU 21 HD12 LEU 21 5.950 0.709 1.003 164 3HD1 LEU 21 HD13 LEU 21 4.573 1.685 0.491 165 1HD2 LEU 21 HD21 LEU 21 4.155 -0.193 4.266 166 2HD2 LEU 21 HD22 LEU 21 5.659 -0.536 3.410 167 3HD2 LEU 21 HD23 LEU 21 4.118 -1.063 2.732 168 H ALA 22 HN ALA 22 3.732 4.205 4.365 169 HA ALA 22 HA ALA 22 1.196 3.925 3.112 170 1HB ALA 22 HB1 ALA 22 1.998 5.769 5.381 171 2HB ALA 22 HB2 ALA 22 1.522 4.083 5.579 172 3HB ALA 22 HB3 ALA 22 0.356 5.264 4.981 173 H GLY 23 HN GLY 23 3.380 6.716 3.290 174 1HA GLY 23 HA2 GLY 23 1.545 8.528 2.026 175 2HA GLY 23 HA1 GLY 23 3.306 8.698 2.214 176 H GLU 24 HN GLU 24 4.156 6.442 0.701 177 HA GLU 24 HA GLU 24 3.796 7.464 -1.911 178 1HB GLU 24 HB2 GLU 24 5.823 6.187 -1.251 179 2HB GLU 24 HB1 GLU 24 4.848 4.728 -1.093 180 1HG GLU 24 HG2 GLU 24 4.204 4.932 -3.504 181 2HG GLU 24 HG1 GLU 24 5.259 6.338 -3.636 182 H LEU 25 HN LEU 25 2.348 4.670 -0.264 183 HA LEU 25 HA LEU 25 0.991 3.664 -2.510 184 1HB LEU 25 HB2 LEU 25 0.418 3.425 0.435 185 2HB LEU 25 HB1 LEU 25 -0.528 2.588 -0.793 186 HG LEU 25 HG LEU 25 2.490 2.344 -0.555 187 1HD1 LEU 25 HD11 LEU 25 1.373 1.497 1.482 188 2HD1 LEU 25 HD12 LEU 25 2.063 0.179 0.538 189 3HD1 LEU 25 HD13 LEU 25 0.328 0.486 0.485 190 1HD2 LEU 25 HD21 LEU 25 1.775 0.091 -1.796 191 2HD2 LEU 25 HD22 LEU 25 1.977 1.578 -2.712 192 3HD2 LEU 25 HD23 LEU 25 0.362 1.041 -2.254 193 H SER 26 HN SER 26 -0.076 6.042 -0.090 194 HA SER 26 HA SER 26 -2.751 6.207 -0.965 195 1HB SER 26 HB2 SER 26 -2.903 8.234 0.267 196 2HB SER 26 HB1 SER 26 -1.761 7.221 1.148 197 HG SER 26 HG SER 26 -0.126 8.362 -0.200 198 H ARG 27 HN ARG 27 0.131 8.075 -1.984 199 HA ARG 27 HA ARG 27 -1.229 9.785 -3.780 200 1HB ARG 27 HB2 ARG 27 1.106 10.180 -3.064 201 2HB ARG 27 HB1 ARG 27 1.614 8.738 -3.943 202 1HG ARG 27 HG2 ARG 27 0.912 9.712 -6.057 203 2HG ARG 27 HG1 ARG 27 0.224 11.106 -5.227 204 1HD ARG 27 HD2 ARG 27 2.425 11.792 -4.457 205 2HD ARG 27 HD1 ARG 27 3.154 10.338 -5.133 206 HE ARG 27 HE ARG 27 2.256 12.691 -6.617 207 1HH1 ARG 27 HH21 ARG 27 4.916 11.163 -6.910 208 2HH1 ARG 27 HH22 ARG 27 4.697 10.414 -8.458 209 1HH2 ARG 27 HH11 ARG 27 1.271 10.950 -8.526 210 2HH2 ARG 27 HH12 ARG 27 2.633 10.296 -9.373 211 H ARG 28 HN ARG 28 0.182 6.557 -4.227 212 HA ARG 28 HA ARG 28 -0.255 6.381 -7.014 213 1HB ARG 28 HB2 ARG 28 -0.034 4.269 -4.867 214 2HB ARG 28 HB1 ARG 28 -0.159 3.894 -6.589 215 1HG ARG 28 HG2 ARG 28 1.839 5.272 -7.041 216 2HG ARG 28 HG1 ARG 28 1.969 5.645 -5.322 217 1HD ARG 28 HD2 ARG 28 2.259 3.251 -4.819 218 2HD ARG 28 HD1 ARG 28 2.126 2.874 -6.534 219 HE ARG 28 HE ARG 28 4.421 4.049 -5.189 220 1HH1 ARG 28 HH11 ARG 28 4.001 5.787 -7.564 221 2HH1 ARG 28 HH12 ARG 28 4.865 4.954 -8.812 222 1HH2 ARG 28 HH21 ARG 28 5.006 1.954 -7.082 223 2HH2 ARG 28 HH22 ARG 28 5.428 2.783 -8.543 224 H ILE 29 HN ILE 29 -2.271 5.536 -4.251 225 HA ILE 29 HA ILE 29 -4.372 4.301 -5.691 226 HB ILE 29 HB ILE 29 -4.261 5.625 -2.986 227 1HG1 ILE 29 HG12 ILE 29 -2.996 3.514 -3.270 228 2HG1 ILE 29 HG11 ILE 29 -4.345 3.310 -2.165 229 1HG2 ILE 29 HG21 ILE 29 -6.548 5.848 -3.606 230 2HG2 ILE 29 HG22 ILE 29 -6.466 4.402 -2.603 231 3HG2 ILE 29 HG23 ILE 29 -6.578 4.253 -4.356 232 1HD1 ILE 29 HD11 ILE 29 -3.895 2.135 -4.863 233 2HD1 ILE 29 HD12 ILE 29 -5.556 2.579 -4.488 234 3HD1 ILE 29 HD13 ILE 29 -4.695 1.443 -3.458 235 H GLN 30 HN GLN 30 -3.930 7.638 -4.603 236 HA GLN 30 HA GLN 30 -6.449 8.621 -5.525 237 1HB GLN 30 HB2 GLN 30 -5.019 9.847 -3.897 238 2HB GLN 30 HB1 GLN 30 -3.843 10.132 -5.178 239 1HG GLN 30 HG2 GLN 30 -5.540 11.374 -6.474 240 2HG GLN 30 HG1 GLN 30 -6.732 11.076 -5.209 241 1HE2 GLN 30 HE21 GLN 30 -5.799 13.728 -6.060 242 2HE2 GLN 30 HE22 GLN 30 -5.053 14.436 -4.710 243 H TYR 31 HN TYR 31 -3.288 8.432 -7.225 244 HA TYR 31 HA TYR 31 -4.244 9.836 -9.493 245 1HB TYR 31 HB2 TYR 31 -1.826 9.479 -9.114 246 2HB TYR 31 HB1 TYR 31 -2.052 7.744 -9.344 247 HD1 TYR 31 HD1 TYR 31 -2.317 11.056 -11.012 248 HD2 TYR 31 HD2 TYR 31 -2.257 6.791 -11.537 249 HE1 TYR 31 HE1 TYR 31 -2.148 11.360 -13.468 250 HE2 TYR 31 HE2 TYR 31 -2.084 7.098 -13.993 251 HH TYR 31 HH TYR 31 -1.353 8.803 -15.587 252 H ALA 32 HN ALA 32 -4.253 6.408 -8.625 253 HA ALA 32 HA ALA 32 -5.220 5.484 -11.133 254 1HB ALA 32 HB1 ALA 32 -4.104 3.935 -9.731 255 2HB ALA 32 HB2 ALA 32 -5.789 3.417 -9.791 256 3HB ALA 32 HB3 ALA 32 -5.179 4.274 -8.375 257 H PHE 33 HN PHE 33 -6.786 6.453 -8.126 258 HA PHE 33 HA PHE 33 -9.456 6.158 -9.415 259 1HB PHE 33 HB2 PHE 33 -8.712 5.917 -6.497 260 2HB PHE 33 HB1 PHE 33 -10.351 5.856 -7.148 261 HD1 PHE 33 HD1 PHE 33 -11.039 4.012 -8.674 262 HD2 PHE 33 HD2 PHE 33 -7.210 4.052 -6.730 263 HE1 PHE 33 HE1 PHE 33 -10.750 1.605 -9.195 264 HE2 PHE 33 HE2 PHE 33 -6.921 1.645 -7.249 265 HZ PHE 33 HZ PHE 33 -8.691 0.421 -8.483 266 HA PRO 34 HA PRO 34 -8.836 10.655 -8.560 267 1HB PRO 34 HB2 PRO 34 -10.412 11.229 -10.921 268 2HB PRO 34 HB1 PRO 34 -8.690 11.519 -10.644 269 1HG PRO 34 HG2 PRO 34 -9.751 9.645 -12.400 270 2HG PRO 34 HG1 PRO 34 -8.089 9.662 -11.788 271 1HD PRO 34 HD2 PRO 34 -10.374 7.930 -10.973 272 2HD PRO 34 HD1 PRO 34 -8.626 7.607 -10.927 273 H ASP 35 HN ASP 35 -11.675 8.807 -9.350 274 HA ASP 35 HA ASP 35 -13.559 10.824 -8.421 275 1HB ASP 35 HB2 ASP 35 -13.945 9.441 -10.459 276 2HB ASP 35 HB1 ASP 35 -14.118 8.035 -9.410 277 H ASN 36 HN ASN 36 -11.890 8.210 -6.855 278 HA ASN 36 HA ASN 36 -14.093 8.037 -4.861 279 1HB ASN 36 HB2 ASN 36 -12.133 5.908 -5.678 280 2HB ASN 36 HB1 ASN 36 -13.344 5.754 -4.412 281 1HD2 ASN 36 HD21 ASN 36 -12.887 4.735 -7.450 282 2HD2 ASN 36 HD22 ASN 36 -14.472 4.804 -8.052 283 H GLU 37 HN GLU 37 -13.464 8.607 -2.683 284 HA GLU 37 HA GLU 37 -10.908 9.506 -2.018 285 1HB GLU 37 HB2 GLU 37 -12.932 10.103 -0.846 286 2HB GLU 37 HB1 GLU 37 -13.191 8.430 -0.370 287 1HG GLU 37 HG2 GLU 37 -11.094 8.481 0.962 288 2HG GLU 37 HG1 GLU 37 -10.829 10.161 0.491 289 H GLY 38 HN GLY 38 -9.111 8.245 -1.636 290 1HA GLY 38 HA2 GLY 38 -9.466 5.363 -0.891 291 2HA GLY 38 HA1 GLY 38 -8.116 5.876 -1.664 292 H HIS 39 HN HIS 39 -8.922 4.868 1.353 293 HA HIS 39 HA HIS 39 -7.032 6.740 2.638 294 1HB HIS 39 HB2 HIS 39 -9.276 6.773 3.660 295 2HB HIS 39 HB1 HIS 39 -9.206 5.026 3.886 296 HD1 HIS 39 HD1 HIS 39 -7.764 4.124 5.818 297 HD2 HIS 39 HD2 HIS 39 -7.538 8.266 5.399 298 HE1 HIS 39 HE1 HIS 39 -6.589 4.991 7.888 299 H VAL 40 HN VAL 40 -5.075 5.765 3.101 300 HA VAL 40 HA VAL 40 -4.951 2.827 3.116 301 HB VAL 40 HB VAL 40 -2.848 4.878 2.425 302 1HG1 VAL 40 HG11 VAL 40 -1.700 2.751 1.556 303 2HG1 VAL 40 HG12 VAL 40 -2.846 1.862 2.556 304 3HG1 VAL 40 HG13 VAL 40 -1.714 2.990 3.303 305 1HG2 VAL 40 HG21 VAL 40 -3.198 4.179 0.141 306 2HG2 VAL 40 HG22 VAL 40 -4.786 4.570 0.807 307 3HG2 VAL 40 HG23 VAL 40 -4.285 2.885 0.646 308 H SER 41 HN SER 41 -4.276 1.840 4.887 309 HA SER 41 HA SER 41 -2.791 3.384 6.938 310 1HB SER 41 HB2 SER 41 -5.094 3.076 7.732 311 2HB SER 41 HB1 SER 41 -4.969 1.340 7.469 312 HG SER 41 HG SER 41 -4.329 2.649 9.627 313 H VAL 42 HN VAL 42 -1.117 2.401 7.933 314 HA VAL 42 HA VAL 42 -0.554 -0.407 7.211 315 HB VAL 42 HB VAL 42 1.494 1.836 7.259 316 1HG1 VAL 42 HG11 VAL 42 2.468 -0.270 7.944 317 2HG1 VAL 42 HG12 VAL 42 2.979 0.061 6.288 318 3HG1 VAL 42 HG13 VAL 42 1.699 -1.113 6.599 319 1HG2 VAL 42 HG21 VAL 42 1.543 1.776 4.897 320 2HG2 VAL 42 HG22 VAL 42 -0.178 1.739 5.280 321 3HG2 VAL 42 HG23 VAL 42 0.658 0.256 4.826 322 H ARG 43 HN ARG 43 -0.151 -1.659 8.891 323 HA ARG 43 HA ARG 43 1.045 -0.489 11.289 324 1HB ARG 43 HB2 ARG 43 -1.497 -2.126 11.499 325 2HB ARG 43 HB1 ARG 43 -0.677 -1.244 12.786 326 1HG ARG 43 HG2 ARG 43 -1.113 0.878 11.498 327 2HG ARG 43 HG1 ARG 43 -2.105 -0.076 10.391 328 1HD ARG 43 HD2 ARG 43 -2.556 0.086 13.383 329 2HD ARG 43 HD1 ARG 43 -3.445 1.030 12.191 330 HE ARG 43 HE ARG 43 -3.856 -1.744 12.820 331 1HH1 ARG 43 HH21 ARG 43 -4.103 0.748 10.440 332 2HH1 ARG 43 HH22 ARG 43 -5.256 -0.101 9.465 333 1HH2 ARG 43 HH11 ARG 43 -5.309 -2.906 11.504 334 2HH2 ARG 43 HH12 ARG 43 -5.938 -2.170 10.067 335 H TYR 44 HN TYR 44 1.770 -2.132 12.835 336 HA TYR 44 HA TYR 44 2.717 -4.549 11.475 337 1HB TYR 44 HB2 TYR 44 3.145 -3.473 14.285 338 2HB TYR 44 HB1 TYR 44 3.851 -4.967 13.680 339 HD1 TYR 44 HD1 TYR 44 5.081 -4.691 11.298 340 HD2 TYR 44 HD2 TYR 44 4.465 -1.550 14.168 341 HE1 TYR 44 HE1 TYR 44 6.973 -3.420 10.318 342 HE2 TYR 44 HE2 TYR 44 6.353 -0.283 13.191 343 HH TYR 44 HH TYR 44 8.592 -1.647 11.088 344 H ALA 45 HN ALA 45 2.017 -6.557 11.765 345 HA ALA 45 HA ALA 45 0.011 -7.118 13.835 346 1HB ALA 45 HB1 ALA 45 -0.412 -8.033 10.990 347 2HB ALA 45 HB2 ALA 45 -1.072 -6.503 11.567 348 3HB ALA 45 HB3 ALA 45 -1.565 -8.017 12.325 349 H ALA 46 HN ALA 46 -0.361 -9.581 13.906 350 HA ALA 46 HA ALA 46 2.159 -10.824 14.175 351 1HB ALA 46 HB1 ALA 46 0.958 -12.849 14.717 352 2HB ALA 46 HB2 ALA 46 -0.503 -12.252 13.928 353 3HB ALA 46 HB3 ALA 46 0.066 -11.500 15.419 354 H ALA 47 HN ALA 47 0.004 -10.608 11.425 355 HA ALA 47 HA ALA 47 2.020 -12.114 9.869 356 1HB ALA 47 HB1 ALA 47 0.221 -13.308 8.671 357 2HB ALA 47 HB2 ALA 47 -0.969 -12.584 9.754 358 3HB ALA 47 HB3 ALA 47 0.236 -13.704 10.389 359 H ASN 48 HN ASN 48 2.150 -11.654 7.662 360 HA ASN 48 HA ASN 48 1.481 -8.953 6.906 361 1HB ASN 48 HB2 ASN 48 2.376 -9.637 4.695 362 2HB ASN 48 HB1 ASN 48 3.488 -10.013 6.009 363 1HD2 ASN 48 HD21 ASN 48 3.271 -11.369 3.346 364 2HD2 ASN 48 HD22 ASN 48 2.956 -13.000 3.693 365 H ASN 49 HN ASN 49 -0.413 -8.285 6.011 366 HA ASN 49 HA ASN 49 -2.043 -10.129 4.443 367 1HB ASN 49 HB2 ASN 49 -2.659 -10.314 6.952 368 2HB ASN 49 HB1 ASN 49 -3.339 -8.702 6.764 369 1HD2 ASN 49 HD21 ASN 49 -5.486 -9.751 7.196 370 2HD2 ASN 49 HD22 ASN 49 -6.281 -10.552 5.929 371 H LEU 50 HN LEU 50 -3.535 -9.062 3.109 372 HA LEU 50 HA LEU 50 -3.438 -6.100 3.092 373 1HB LEU 50 HB2 LEU 50 -2.060 -7.040 1.246 374 2HB LEU 50 HB1 LEU 50 -3.448 -7.981 0.706 375 HG LEU 50 HG LEU 50 -4.721 -5.880 0.340 376 1HD1 LEU 50 HD11 LEU 50 -3.141 -3.766 0.269 377 2HD1 LEU 50 HD12 LEU 50 -2.231 -4.668 1.482 378 3HD1 LEU 50 HD13 LEU 50 -3.924 -4.261 1.767 379 1HD2 LEU 50 HD21 LEU 50 -3.361 -5.049 -1.604 380 2HD2 LEU 50 HD22 LEU 50 -3.525 -6.804 -1.568 381 3HD2 LEU 50 HD23 LEU 50 -2.020 -6.046 -1.040 382 H SER 51 HN SER 51 -5.513 -5.328 3.378 383 HA SER 51 HA SER 51 -7.774 -7.067 2.544 384 1HB SER 51 HB2 SER 51 -7.453 -5.303 4.973 385 2HB SER 51 HB1 SER 51 -9.002 -5.951 4.439 386 HG SER 51 HG SER 51 -6.950 -7.787 4.565 387 H VAL 52 HN VAL 52 -9.181 -6.103 1.151 388 HA VAL 52 HA VAL 52 -9.146 -3.162 0.920 389 HB VAL 52 HB VAL 52 -9.472 -5.161 -1.331 390 1HG1 VAL 52 HG11 VAL 52 -9.389 -2.991 -2.690 391 2HG1 VAL 52 HG12 VAL 52 -9.675 -2.144 -1.170 392 3HG1 VAL 52 HG13 VAL 52 -10.876 -3.279 -1.787 393 1HG2 VAL 52 HG21 VAL 52 -7.366 -4.140 -2.149 394 2HG2 VAL 52 HG22 VAL 52 -7.138 -4.898 -0.572 395 3HG2 VAL 52 HG23 VAL 52 -7.291 -3.145 -0.696 396 H ILE 53 HN ILE 53 -11.111 -2.261 1.283 397 HA ILE 53 HA ILE 53 -13.519 -3.988 1.029 398 HB ILE 53 HB ILE 53 -13.047 -1.713 2.972 399 1HG1 ILE 53 HG12 ILE 53 -13.330 -4.662 3.611 400 2HG1 ILE 53 HG11 ILE 53 -11.754 -3.907 3.360 401 1HG2 ILE 53 HG21 ILE 53 -15.171 -2.646 3.975 402 2HG2 ILE 53 HG22 ILE 53 -15.333 -3.655 2.538 403 3HG2 ILE 53 HG23 ILE 53 -15.385 -1.898 2.392 404 1HD1 ILE 53 HD11 ILE 53 -12.206 -2.307 5.158 405 2HD1 ILE 53 HD12 ILE 53 -12.389 -3.955 5.760 406 3HD1 ILE 53 HD13 ILE 53 -13.817 -2.990 5.383 407 H GLY 54 HN GLY 54 -15.037 -3.287 -0.358 408 1HA GLY 54 HA2 GLY 54 -16.468 -1.659 -1.312 409 2HA GLY 54 HA1 GLY 54 -15.298 -0.412 -0.891 410 H ALA 55 HN ALA 55 -13.946 -3.205 -2.435 411 HA ALA 55 HA ALA 55 -13.867 -1.712 -5.005 412 1HB ALA 55 HB1 ALA 55 -11.585 -2.147 -5.257 413 2HB ALA 55 HB2 ALA 55 -11.602 -3.467 -4.087 414 3HB ALA 55 HB3 ALA 55 -11.721 -1.797 -3.533 415 H THR 56 HN THR 56 -13.358 -2.958 -6.876 416 HA THR 56 HA THR 56 -14.801 -5.533 -7.092 417 HB THR 56 HB THR 56 -14.710 -5.072 -9.420 418 HG1 THR 56 HG1 THR 56 -12.538 -4.195 -9.307 419 1HG2 THR 56 HG21 THR 56 -15.953 -3.013 -9.539 420 2HG2 THR 56 HG22 THR 56 -15.207 -2.413 -8.059 421 3HG2 THR 56 HG23 THR 56 -16.341 -3.763 -7.990 422 H LYS 57 HN LYS 57 -13.862 -7.265 -8.169 423 HA LYS 57 HA LYS 57 -11.367 -8.040 -7.227 424 1HB LYS 57 HB2 LYS 57 -12.835 -9.055 -9.678 425 2HB LYS 57 HB1 LYS 57 -11.525 -9.893 -8.855 426 1HG LYS 57 HG2 LYS 57 -12.916 -10.047 -6.799 427 2HG LYS 57 HG1 LYS 57 -14.224 -9.200 -7.634 428 1HD LYS 57 HD2 LYS 57 -14.330 -11.005 -9.303 429 2HD LYS 57 HD1 LYS 57 -13.008 -11.843 -8.489 430 1HE LYS 57 HE2 LYS 57 -15.138 -12.808 -7.779 431 2HE LYS 57 HE1 LYS 57 -14.395 -11.959 -6.424 432 1HZ LYS 57 HZ1 LYS 57 -16.868 -11.441 -7.735 433 2HZ LYS 57 HZ2 LYS 57 -15.879 -10.058 -7.725 434 3HZ LYS 57 HZ3 LYS 57 -16.282 -10.830 -6.265 435 H GLU 58 HN GLU 58 -12.142 -6.558 -10.428 436 HA GLU 58 HA GLU 58 -9.519 -6.915 -11.471 437 1HB GLU 58 HB2 GLU 58 -11.862 -5.143 -12.144 438 2HB GLU 58 HB1 GLU 58 -10.312 -4.930 -12.957 439 1HG GLU 58 HG2 GLU 58 -10.354 -7.261 -13.710 440 2HG GLU 58 HG1 GLU 58 -11.863 -7.540 -12.844 441 H ASP 59 HN ASP 59 -11.064 -4.389 -9.536 442 HA ASP 59 HA ASP 59 -8.973 -2.493 -9.724 443 1HB ASP 59 HB2 ASP 59 -11.073 -2.979 -7.599 444 2HB ASP 59 HB1 ASP 59 -9.949 -1.623 -7.554 445 H LYS 60 HN LYS 60 -9.738 -5.086 -7.467 446 HA LYS 60 HA LYS 60 -7.534 -4.662 -5.728 447 1HB LYS 60 HB2 LYS 60 -9.240 -7.105 -6.255 448 2HB LYS 60 HB1 LYS 60 -7.958 -7.071 -5.045 449 1HG LYS 60 HG2 LYS 60 -9.043 -5.334 -3.806 450 2HG LYS 60 HG1 LYS 60 -10.194 -5.038 -5.110 451 1HD LYS 60 HD2 LYS 60 -11.305 -6.330 -3.380 452 2HD LYS 60 HD1 LYS 60 -11.072 -7.362 -4.789 453 1HE LYS 60 HE2 LYS 60 -9.250 -8.512 -3.778 454 2HE LYS 60 HE1 LYS 60 -9.082 -7.293 -2.514 455 1HZ LYS 60 HZ1 LYS 60 -11.605 -8.780 -2.805 456 2HZ LYS 60 HZ2 LYS 60 -10.951 -8.037 -1.425 457 3HZ LYS 60 HZ3 LYS 60 -10.294 -9.495 -2.001 458 H GLN 61 HN GLN 61 -7.760 -6.675 -8.685 459 HA GLN 61 HA GLN 61 -5.183 -7.840 -8.279 460 1HB GLN 61 HB2 GLN 61 -6.759 -7.304 -10.820 461 2HB GLN 61 HB1 GLN 61 -5.256 -8.224 -10.764 462 1HG GLN 61 HG2 GLN 61 -7.706 -8.937 -9.133 463 2HG GLN 61 HG1 GLN 61 -7.353 -9.635 -10.711 464 1HE2 GLN 61 HE21 GLN 61 -7.354 -10.815 -7.845 465 2HE2 GLN 61 HE22 GLN 61 -5.851 -11.598 -7.740 466 H ARG 62 HN ARG 62 -6.350 -4.870 -9.908 467 HA ARG 62 HA ARG 62 -3.856 -4.085 -10.907 468 1HB ARG 62 HB2 ARG 62 -5.937 -3.028 -11.668 469 2HB ARG 62 HB1 ARG 62 -6.214 -2.369 -10.057 470 1HG ARG 62 HG2 ARG 62 -4.200 -1.001 -10.226 471 2HG ARG 62 HG1 ARG 62 -3.804 -1.720 -11.788 472 1HD ARG 62 HD2 ARG 62 -6.325 -0.144 -11.207 473 2HD ARG 62 HD1 ARG 62 -4.901 0.503 -12.017 474 HE ARG 62 HE ARG 62 -6.914 -1.157 -13.197 475 1HH1 ARG 62 HH21 ARG 62 -5.439 0.745 -14.876 476 2HH1 ARG 62 HH22 ARG 62 -4.346 -0.257 -15.771 477 1HH2 ARG 62 HH11 ARG 62 -4.674 -2.974 -13.639 478 2HH2 ARG 62 HH12 ARG 62 -3.916 -2.365 -15.073 479 H ILE 63 HN ILE 63 -5.434 -3.370 -7.822 480 HA ILE 63 HA ILE 63 -3.365 -1.729 -6.831 481 HB ILE 63 HB ILE 63 -5.376 -3.423 -5.370 482 1HG1 ILE 63 HG12 ILE 63 -5.191 -0.416 -5.559 483 2HG1 ILE 63 HG11 ILE 63 -6.089 -1.379 -6.733 484 1HG2 ILE 63 HG21 ILE 63 -3.298 -1.510 -4.295 485 2HG2 ILE 63 HG22 ILE 63 -3.548 -3.194 -3.835 486 3HG2 ILE 63 HG23 ILE 63 -4.732 -1.970 -3.376 487 1HD1 ILE 63 HD11 ILE 63 -7.503 -2.290 -4.966 488 2HD1 ILE 63 HD12 ILE 63 -7.536 -0.528 -4.886 489 3HD1 ILE 63 HD13 ILE 63 -6.559 -1.447 -3.738 490 H SER 64 HN SER 64 -3.770 -5.231 -6.652 491 HA SER 64 HA SER 64 -1.480 -5.712 -5.040 492 1HB SER 64 HB2 SER 64 -3.146 -7.480 -5.587 493 2HB SER 64 HB1 SER 64 -2.607 -7.444 -7.264 494 HG SER 64 HG SER 64 -1.312 -8.950 -6.490 495 H GLU 65 HN GLU 65 -1.905 -5.391 -8.623 496 HA GLU 65 HA GLU 65 0.789 -5.865 -9.248 497 1HB GLU 65 HB2 GLU 65 -1.348 -4.286 -10.694 498 2HB GLU 65 HB1 GLU 65 0.265 -4.550 -11.358 499 1HG GLU 65 HG2 GLU 65 -0.055 -6.984 -11.205 500 2HG GLU 65 HG1 GLU 65 -1.658 -6.740 -10.515 501 H ILE 66 HN ILE 66 -0.898 -2.836 -8.450 502 HA ILE 66 HA ILE 66 1.276 -1.106 -8.910 503 HB ILE 66 HB ILE 66 -1.054 -0.888 -6.991 504 1HG1 ILE 66 HG12 ILE 66 -0.449 0.577 -9.577 505 2HG1 ILE 66 HG11 ILE 66 -1.423 -0.891 -9.506 506 1HG2 ILE 66 HG21 ILE 66 1.166 1.062 -7.650 507 2HG2 ILE 66 HG22 ILE 66 0.627 0.535 -6.056 508 3HG2 ILE 66 HG23 ILE 66 -0.395 1.594 -7.025 509 1HD1 ILE 66 HD11 ILE 66 -2.674 1.370 -9.441 510 2HD1 ILE 66 HD12 ILE 66 -2.078 1.506 -7.788 511 3HD1 ILE 66 HD13 ILE 66 -3.124 0.160 -8.240 512 H LEU 67 HN LEU 67 0.299 -2.820 -5.981 513 HA LEU 67 HA LEU 67 2.311 -1.797 -4.291 514 1HB LEU 67 HB2 LEU 67 0.467 -3.014 -3.299 515 2HB LEU 67 HB1 LEU 67 0.816 -4.435 -4.271 516 HG LEU 67 HG LEU 67 3.050 -4.621 -3.071 517 1HD1 LEU 67 HD11 LEU 67 2.907 -3.391 -0.734 518 2HD1 LEU 67 HD12 LEU 67 1.884 -2.255 -1.610 519 3HD1 LEU 67 HD13 LEU 67 3.545 -2.537 -2.135 520 1HD2 LEU 67 HD21 LEU 67 2.092 -5.684 -1.137 521 2HD2 LEU 67 HD22 LEU 67 0.943 -5.886 -2.458 522 3HD2 LEU 67 HD23 LEU 67 0.654 -4.668 -1.216 523 H GLN 68 HN GLN 68 2.249 -4.570 -6.482 524 HA GLN 68 HA GLN 68 4.823 -5.555 -5.795 525 1HB GLN 68 HB2 GLN 68 3.203 -6.888 -7.096 526 2HB GLN 68 HB1 GLN 68 3.347 -5.751 -8.435 527 1HG GLN 68 HG2 GLN 68 5.679 -6.299 -8.741 528 2HG GLN 68 HG1 GLN 68 5.695 -7.265 -7.265 529 1HE2 GLN 68 HE21 GLN 68 6.488 -8.582 -9.564 530 2HE2 GLN 68 HE22 GLN 68 5.274 -9.649 -10.085 531 H GLU 69 HN GLU 69 3.845 -3.375 -8.501 532 HA GLU 69 HA GLU 69 6.435 -2.962 -9.454 533 1HB GLU 69 HB2 GLU 69 3.956 -1.237 -9.572 534 2HB GLU 69 HB1 GLU 69 5.444 -0.852 -10.440 535 1HG GLU 69 HG2 GLU 69 5.343 -3.026 -11.593 536 2HG GLU 69 HG1 GLU 69 3.864 -3.424 -10.722 537 H THR 70 HN THR 70 4.637 -1.030 -7.055 538 HA THR 70 HA THR 70 6.558 0.992 -6.745 539 HB THR 70 HB THR 70 4.690 -0.129 -4.683 540 HG1 THR 70 HG1 THR 70 3.775 0.677 -6.684 541 1HG2 THR 70 HG21 THR 70 6.206 1.213 -3.493 542 2HG2 THR 70 HG22 THR 70 4.893 2.327 -3.878 543 3HG2 THR 70 HG23 THR 70 6.377 2.352 -4.830 544 H TRP 71 HN TRP 71 6.056 -2.000 -5.041 545 HA TRP 71 HA TRP 71 8.131 -1.836 -3.224 546 1HB TRP 71 HB2 TRP 71 6.179 -3.343 -3.149 547 2HB TRP 71 HB1 TRP 71 6.886 -4.271 -4.458 548 HD1 TRP 71 HD1 TRP 71 7.704 -6.437 -3.468 549 HE1 TRP 71 HE1 TRP 71 9.096 -7.152 -1.427 550 HE3 TRP 71 HE3 TRP 71 8.201 -1.924 -1.044 551 HZ2 TRP 71 HZ2 TRP 71 10.242 -6.003 0.910 552 HZ3 TRP 71 HZ3 TRP 71 9.434 -1.794 1.085 553 HH2 TRP 71 HH2 TRP 71 10.449 -3.823 2.072 554 H GLU 72 HN GLU 72 8.116 -3.128 -6.495 555 HA GLU 72 HA GLU 72 10.823 -4.036 -6.370 556 1HB GLU 72 HB2 GLU 72 8.963 -3.598 -8.713 557 2HB GLU 72 HB1 GLU 72 10.602 -4.223 -8.889 558 1HG GLU 72 HG2 GLU 72 10.058 -6.092 -7.375 559 2HG GLU 72 HG1 GLU 72 8.417 -5.472 -7.196 560 H SER 73 HN SER 73 9.476 -0.885 -6.848 561 HA SER 73 HA SER 73 12.009 0.027 -8.097 562 1HB SER 73 HB2 SER 73 9.270 1.301 -7.958 563 2HB SER 73 HB1 SER 73 10.701 2.127 -8.571 564 HG SER 73 HG SER 73 10.704 0.863 -10.291 565 H ALA 74 HN ALA 74 11.377 -0.584 -5.176 566 HA ALA 74 HA ALA 74 11.129 1.558 -3.558 567 1HB ALA 74 HB1 ALA 74 12.915 -0.825 -3.174 568 2HB ALA 74 HB2 ALA 74 11.187 -0.748 -2.833 569 3HB ALA 74 HB3 ALA 74 12.315 0.235 -1.898 570 H ASP 75 HN ASP 75 14.135 0.721 -5.224 571 HA ASP 75 HA ASP 75 15.846 2.316 -3.599 572 1HB ASP 75 HB2 ASP 75 16.117 1.224 -6.394 573 2HB ASP 75 HB1 ASP 75 17.405 2.106 -5.574 574 H ASP 76 HN ASP 76 13.661 3.233 -6.129 575 HA ASP 76 HA ASP 76 15.117 5.730 -6.720 576 1HB ASP 76 HB2 ASP 76 12.553 4.564 -7.809 577 2HB ASP 76 HB1 ASP 76 13.276 6.080 -8.347 578 H TRP 77 HN TRP 77 11.972 4.815 -5.308 579 HA TRP 77 HA TRP 77 11.435 7.649 -4.701 580 1HB TRP 77 HB2 TRP 77 9.241 7.045 -4.232 581 2HB TRP 77 HB1 TRP 77 9.703 6.070 -5.609 582 HD1 TRP 77 HD1 TRP 77 9.845 3.444 -5.288 583 HE1 TRP 77 HE1 TRP 77 9.107 1.877 -3.408 584 HE3 TRP 77 HE3 TRP 77 9.129 6.834 -1.410 585 HZ2 TRP 77 HZ2 TRP 77 8.325 1.979 -0.701 586 HZ3 TRP 77 HZ3 TRP 77 8.368 5.999 0.760 587 HH2 TRP 77 HH2 TRP 77 7.974 3.599 1.125 588 H PHE 78 HN PHE 78 12.727 4.945 -2.946 589 HA PHE 78 HA PHE 78 11.919 6.149 -0.385 590 1HB PHE 78 HB2 PHE 78 11.830 3.742 -0.442 591 2HB PHE 78 HB1 PHE 78 13.497 3.653 -0.993 592 HD1 PHE 78 HD1 PHE 78 15.382 4.078 0.508 593 HD2 PHE 78 HD2 PHE 78 11.313 4.460 1.890 594 HE1 PHE 78 HE1 PHE 78 16.180 4.194 2.841 595 HE2 PHE 78 HE2 PHE 78 12.135 4.563 4.220 596 HZ PHE 78 HZ PHE 78 14.559 4.430 4.701 597 H VAL 79 HN VAL 79 13.072 7.522 0.678 598 HA VAL 79 HA VAL 79 15.938 7.837 0.038 599 HB VAL 79 HB VAL 79 14.990 9.715 -0.976 600 1HG1 VAL 79 HG11 VAL 79 13.084 10.989 0.089 601 2HG1 VAL 79 HG12 VAL 79 12.985 9.712 1.297 602 3HG1 VAL 79 HG13 VAL 79 12.674 9.342 -0.403 603 1HG2 VAL 79 HG21 VAL 79 15.587 11.611 0.328 604 2HG2 VAL 79 HG22 VAL 79 16.614 10.313 0.940 605 3HG2 VAL 79 HG23 VAL 79 15.179 10.802 1.841 606 H SER 80 HN SER 80 17.284 8.442 1.918 607 HA SER 80 HA SER 80 15.921 8.555 4.539 608 1HB SER 80 HB2 SER 80 18.179 6.660 3.810 609 2HB SER 80 HB1 SER 80 17.681 7.030 5.457 610 HG SER 80 HG SER 80 16.140 5.645 5.193 611 H GLU 81 HN GLU 81 16.775 10.028 5.871 612 HA GLU 81 HA GLU 81 18.708 11.876 4.892 613 1HB GLU 81 HB2 GLU 81 17.625 11.481 7.693 614 2HB GLU 81 HB1 GLU 81 18.562 12.873 7.155 615 1HG GLU 81 HG2 GLU 81 16.824 13.396 5.481 616 2HG GLU 81 HG1 GLU 81 15.883 12.006 6.023 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -13.921 3.962 -1.770 2 2H MET 1 HT2 MET 1 -13.150 4.574 -0.385 3 3H MET 1 HT3 MET 1 -14.592 3.686 -0.237 4 HA MET 1 HA MET 1 -13.584 1.706 -0.429 5 1HB MET 1 HB2 MET 1 -11.768 3.194 -2.339 6 2HB MET 1 HB1 MET 1 -11.358 1.571 -1.788 7 1HG MET 1 HG2 MET 1 -13.243 0.612 -2.819 8 2HG MET 1 HG1 MET 1 -14.072 2.162 -2.956 9 1HE MET 1 HE1 MET 1 -10.206 2.142 -3.736 10 2HE MET 1 HE2 MET 1 -10.180 1.213 -5.232 11 3HE MET 1 HE3 MET 1 -10.730 0.450 -3.743 12 H ARG 2 HN ARG 2 -12.203 0.790 1.075 13 HA ARG 2 HA ARG 2 -10.218 2.592 2.339 14 1HB ARG 2 HB2 ARG 2 -12.083 0.593 3.652 15 2HB ARG 2 HB1 ARG 2 -10.688 1.296 4.474 16 1HG ARG 2 HG2 ARG 2 -11.600 3.569 4.021 17 2HG ARG 2 HG1 ARG 2 -13.021 2.828 3.284 18 1HD ARG 2 HD2 ARG 2 -13.537 1.693 5.414 19 2HD ARG 2 HD1 ARG 2 -12.117 2.431 6.151 20 HE ARG 2 HE ARG 2 -13.284 4.448 6.290 21 1HH1 ARG 2 HH21 ARG 2 -15.546 2.127 5.929 22 2HH1 ARG 2 HH22 ARG 2 -16.727 3.076 5.090 23 1HH2 ARG 2 HH11 ARG 2 -14.562 5.716 4.481 24 2HH2 ARG 2 HH12 ARG 2 -16.170 5.108 4.269 25 H ILE 3 HN ILE 3 -8.218 1.834 2.420 26 HA ILE 3 HA ILE 3 -7.725 -1.013 1.692 27 HB ILE 3 HB ILE 3 -6.092 1.457 1.085 28 1HG1 ILE 3 HG12 ILE 3 -7.563 -0.482 -0.728 29 2HG1 ILE 3 HG11 ILE 3 -8.213 1.077 -0.225 30 1HG2 ILE 3 HG21 ILE 3 -4.810 -0.282 -0.318 31 2HG2 ILE 3 HG22 ILE 3 -5.609 -1.502 0.671 32 3HG2 ILE 3 HG23 ILE 3 -4.540 -0.319 1.423 33 1HD1 ILE 3 HD11 ILE 3 -6.202 2.181 -1.216 34 2HD1 ILE 3 HD12 ILE 3 -7.178 1.322 -2.410 35 3HD1 ILE 3 HD13 ILE 3 -5.677 0.606 -1.814 36 H GLU 4 HN GLU 4 -6.747 -2.156 3.275 37 HA GLU 4 HA GLU 4 -5.087 -0.708 5.282 38 1HB GLU 4 HB2 GLU 4 -7.235 -1.422 6.259 39 2HB GLU 4 HB1 GLU 4 -6.928 -3.080 5.754 40 1HG GLU 4 HG2 GLU 4 -4.917 -3.147 7.189 41 2HG GLU 4 HG1 GLU 4 -5.225 -1.485 7.692 42 H VAL 5 HN VAL 5 -3.078 -1.376 5.492 43 HA VAL 5 HA VAL 5 -2.318 -4.052 4.413 44 HB VAL 5 HB VAL 5 -0.520 -1.638 4.527 45 1HG1 VAL 5 HG11 VAL 5 0.468 -3.944 4.395 46 2HG1 VAL 5 HG12 VAL 5 0.855 -2.926 3.008 47 3HG1 VAL 5 HG13 VAL 5 -0.390 -4.168 2.870 48 1HG2 VAL 5 HG21 VAL 5 -0.989 -1.656 1.968 49 2HG2 VAL 5 HG22 VAL 5 -2.193 -0.920 3.023 50 3HG2 VAL 5 HG23 VAL 5 -2.451 -2.542 2.394 51 H THR 6 HN THR 6 -1.216 -5.397 5.695 52 HA THR 6 HA THR 6 -0.166 -4.378 8.285 53 HB THR 6 HB THR 6 -0.656 -6.774 9.072 54 HG1 THR 6 HG1 THR 6 -1.994 -6.631 6.604 55 1HG2 THR 6 HG21 THR 6 -3.037 -6.232 9.522 56 2HG2 THR 6 HG22 THR 6 -2.943 -4.919 8.348 57 3HG2 THR 6 HG23 THR 6 -1.976 -4.855 9.822 58 H ILE 7 HN ILE 7 1.832 -4.918 8.799 59 HA ILE 7 HA ILE 7 3.350 -6.739 7.015 60 HB ILE 7 HB ILE 7 4.016 -4.151 8.389 61 1HG1 ILE 7 HG12 ILE 7 4.554 -5.087 5.556 62 2HG1 ILE 7 HG11 ILE 7 3.060 -4.281 6.034 63 1HG2 ILE 7 HG21 ILE 7 5.868 -6.390 7.547 64 2HG2 ILE 7 HG22 ILE 7 5.956 -5.349 8.968 65 3HG2 ILE 7 HG23 ILE 7 6.409 -4.715 7.388 66 1HD1 ILE 7 HD11 ILE 7 4.892 -2.771 5.088 67 2HD1 ILE 7 HD12 ILE 7 5.785 -3.089 6.575 68 3HD1 ILE 7 HD13 ILE 7 4.216 -2.286 6.642 69 H ALA 8 HN ALA 8 4.374 -8.431 7.965 70 HA ALA 8 HA ALA 8 3.849 -9.114 10.657 71 1HB ALA 8 HB1 ALA 8 5.806 -10.196 8.627 72 2HB ALA 8 HB2 ALA 8 4.224 -10.852 9.053 73 3HB ALA 8 HB3 ALA 8 5.549 -10.923 10.214 74 H LYS 9 HN LYS 9 4.876 -8.807 12.363 75 HA LYS 9 HA LYS 9 6.858 -6.851 12.696 76 1HB LYS 9 HB2 LYS 9 5.803 -9.015 14.531 77 2HB LYS 9 HB1 LYS 9 7.053 -7.904 15.082 78 1HG LYS 9 HG2 LYS 9 5.517 -5.999 14.689 79 2HG LYS 9 HG1 LYS 9 4.268 -7.127 14.138 80 1HD LYS 9 HD2 LYS 9 4.344 -8.244 16.342 81 2HD LYS 9 HD1 LYS 9 5.559 -7.084 16.877 82 1HE LYS 9 HE2 LYS 9 3.982 -5.239 16.549 83 2HE LYS 9 HE1 LYS 9 2.770 -6.363 15.932 84 1HZ LYS 9 HZ1 LYS 9 3.941 -6.364 18.661 85 2HZ LYS 9 HZ2 LYS 9 2.843 -7.520 18.072 86 3HZ LYS 9 HZ3 LYS 9 2.364 -5.899 18.246 87 H THR 10 HN THR 10 7.215 -10.240 12.035 88 HA THR 10 HA THR 10 9.841 -10.609 12.995 89 HB THR 10 HB THR 10 9.925 -12.316 11.076 90 HG1 THR 10 HG1 THR 10 7.360 -11.192 10.792 91 1HG2 THR 10 HG21 THR 10 7.721 -12.359 13.152 92 2HG2 THR 10 HG22 THR 10 9.345 -13.031 13.305 93 3HG2 THR 10 HG23 THR 10 8.188 -13.764 12.193 94 H SER 11 HN SER 11 8.578 -8.557 10.584 95 HA SER 11 HA SER 11 11.279 -8.189 9.391 96 1HB SER 11 HB2 SER 11 10.236 -7.688 7.282 97 2HB SER 11 HB1 SER 11 9.601 -9.230 7.849 98 HG SER 11 HG SER 11 8.182 -7.242 7.121 99 HA PRO 12 HA PRO 12 9.969 -4.083 11.199 100 1HB PRO 12 HB2 PRO 12 12.620 -3.858 12.321 101 2HB PRO 12 HB1 PRO 12 11.096 -4.068 13.201 102 1HG PRO 12 HG2 PRO 12 13.127 -5.952 13.061 103 2HG PRO 12 HG1 PRO 12 11.443 -6.293 13.492 104 1HD PRO 12 HD2 PRO 12 12.857 -6.771 10.896 105 2HD PRO 12 HD1 PRO 12 11.542 -7.684 11.656 106 H LEU 13 HN LEU 13 10.065 -2.248 10.257 107 HA LEU 13 HA LEU 13 12.180 -1.867 8.225 108 1HB LEU 13 HB2 LEU 13 9.517 -0.439 8.448 109 2HB LEU 13 HB1 LEU 13 10.625 -0.421 7.080 110 HG LEU 13 HG LEU 13 9.012 -2.780 8.098 111 1HD1 LEU 13 HD11 LEU 13 9.078 -1.411 5.387 112 2HD1 LEU 13 HD12 LEU 13 7.831 -1.164 6.610 113 3HD1 LEU 13 HD13 LEU 13 8.028 -2.745 5.858 114 1HD2 LEU 13 HD21 LEU 13 11.066 -3.784 7.494 115 2HD2 LEU 13 HD22 LEU 13 11.335 -2.657 6.168 116 3HD2 LEU 13 HD23 LEU 13 10.107 -3.913 6.024 117 HA PRO 14 HA PRO 14 14.073 1.242 10.641 118 1HB PRO 14 HB2 PRO 14 14.199 3.318 8.602 119 2HB PRO 14 HB1 PRO 14 15.505 2.258 9.157 120 1HG PRO 14 HG2 PRO 14 13.870 2.060 6.743 121 2HG PRO 14 HG1 PRO 14 15.386 1.240 7.136 122 1HD PRO 14 HD2 PRO 14 12.907 -0.012 7.018 123 2HD PRO 14 HD1 PRO 14 14.302 -0.640 7.917 124 H ALA 15 HN ALA 15 13.699 3.033 11.802 125 HA ALA 15 HA ALA 15 11.095 3.680 12.506 126 1HB ALA 15 HB1 ALA 15 13.572 5.341 12.952 127 2HB ALA 15 HB2 ALA 15 13.093 3.948 13.923 128 3HB ALA 15 HB3 ALA 15 12.083 5.395 13.896 129 H GLY 16 HN GLY 16 10.997 4.133 9.744 130 1HA GLY 16 HA2 GLY 16 9.890 6.757 9.632 131 2HA GLY 16 HA1 GLY 16 11.434 6.737 8.826 132 H ALA 17 HN ALA 17 10.882 3.791 8.245 133 HA ALA 17 HA ALA 17 10.008 4.231 5.573 134 1HB ALA 17 HB1 ALA 17 10.066 1.565 5.655 135 2HB ALA 17 HB2 ALA 17 10.952 1.889 7.147 136 3HB ALA 17 HB3 ALA 17 11.550 2.521 5.616 137 H ILE 18 HN ILE 18 8.240 2.832 8.298 138 HA ILE 18 HA ILE 18 6.126 1.851 6.736 139 HB ILE 18 HB ILE 18 6.172 2.949 9.556 140 1HG1 ILE 18 HG12 ILE 18 7.441 0.769 8.796 141 2HG1 ILE 18 HG11 ILE 18 6.483 0.745 10.268 142 1HG2 ILE 18 HG21 ILE 18 3.905 3.155 8.978 143 2HG2 ILE 18 HG22 ILE 18 3.984 1.555 9.714 144 3HG2 ILE 18 HG23 ILE 18 3.934 1.716 7.958 145 1HD1 ILE 18 HD11 ILE 18 4.764 -0.507 9.291 146 2HD1 ILE 18 HD12 ILE 18 6.204 -1.199 8.549 147 3HD1 ILE 18 HD13 ILE 18 5.220 -0.045 7.653 148 H ASP 19 HN ASP 19 6.594 4.998 8.319 149 HA ASP 19 HA ASP 19 4.200 6.164 7.325 150 1HB ASP 19 HB2 ASP 19 6.810 7.412 8.239 151 2HB ASP 19 HB1 ASP 19 5.398 8.359 7.775 152 H ALA 20 HN ALA 20 7.453 5.929 5.930 153 HA ALA 20 HA ALA 20 6.836 7.641 3.774 154 1HB ALA 20 HB1 ALA 20 9.157 6.772 4.565 155 2HB ALA 20 HB2 ALA 20 8.895 7.037 2.842 156 3HB ALA 20 HB3 ALA 20 8.827 5.403 3.504 157 H LEU 21 HN LEU 21 6.560 4.140 4.175 158 HA LEU 21 HA LEU 21 5.849 3.465 1.569 159 1HB LEU 21 HB2 LEU 21 6.566 1.799 3.141 160 2HB LEU 21 HB1 LEU 21 5.279 2.219 4.262 161 HG LEU 21 HG LEU 21 3.625 1.431 2.604 162 1HD1 LEU 21 HD11 LEU 21 4.787 1.692 0.510 163 2HD1 LEU 21 HD12 LEU 21 4.547 -0.038 0.739 164 3HD1 LEU 21 HD13 LEU 21 6.119 0.681 1.067 165 1HD2 LEU 21 HD21 LEU 21 4.519 -0.052 4.386 166 2HD2 LEU 21 HD22 LEU 21 5.758 -0.610 3.261 167 3HD2 LEU 21 HD23 LEU 21 4.058 -0.951 2.940 168 H ALA 22 HN ALA 22 3.833 4.245 4.376 169 HA ALA 22 HA ALA 22 1.313 3.956 3.097 170 1HB ALA 22 HB1 ALA 22 1.922 5.915 5.315 171 2HB ALA 22 HB2 ALA 22 1.785 4.182 5.612 172 3HB ALA 22 HB3 ALA 22 0.404 5.080 4.984 173 H GLY 23 HN GLY 23 3.560 6.695 3.253 174 1HA GLY 23 HA2 GLY 23 1.757 8.540 1.991 175 2HA GLY 23 HA1 GLY 23 3.520 8.697 2.183 176 H GLU 24 HN GLU 24 4.401 6.454 0.708 177 HA GLU 24 HA GLU 24 4.062 7.438 -1.922 178 1HB GLU 24 HB2 GLU 24 6.104 6.202 -1.092 179 2HB GLU 24 HB1 GLU 24 5.164 4.713 -1.150 180 1HG GLU 24 HG2 GLU 24 6.370 4.862 -3.230 181 2HG GLU 24 HG1 GLU 24 4.684 5.227 -3.591 182 H LEU 25 HN LEU 25 2.616 4.694 -0.224 183 HA LEU 25 HA LEU 25 1.315 3.608 -2.492 184 1HB LEU 25 HB2 LEU 25 0.644 3.410 0.442 185 2HB LEU 25 HB1 LEU 25 -0.250 2.548 -0.805 186 HG LEU 25 HG LEU 25 2.746 2.313 -0.411 187 1HD1 LEU 25 HD11 LEU 25 2.222 0.122 0.636 188 2HD1 LEU 25 HD12 LEU 25 0.503 0.497 0.526 189 3HD1 LEU 25 HD13 LEU 25 1.551 1.464 1.560 190 1HD2 LEU 25 HD21 LEU 25 0.729 1.001 -2.230 191 2HD2 LEU 25 HD22 LEU 25 2.122 0.065 -1.691 192 3HD2 LEU 25 HD23 LEU 25 2.364 1.553 -2.594 193 H SER 26 HN SER 26 0.249 6.041 -0.155 194 HA SER 26 HA SER 26 -2.428 6.225 -1.012 195 1HB SER 26 HB2 SER 26 -1.539 7.199 1.096 196 2HB SER 26 HB1 SER 26 -0.695 8.418 0.145 197 HG SER 26 HG SER 26 -3.441 8.051 0.590 198 H ARG 27 HN ARG 27 0.433 8.160 -1.995 199 HA ARG 27 HA ARG 27 -0.942 9.884 -3.760 200 1HB ARG 27 HB2 ARG 27 1.366 10.304 -2.993 201 2HB ARG 27 HB1 ARG 27 1.923 8.907 -3.913 202 1HG ARG 27 HG2 ARG 27 1.210 9.949 -6.006 203 2HG ARG 27 HG1 ARG 27 0.528 11.314 -5.121 204 1HD ARG 27 HD2 ARG 27 2.783 11.853 -4.251 205 2HD ARG 27 HD1 ARG 27 3.450 10.510 -5.175 206 HE ARG 27 HE ARG 27 2.132 12.034 -7.043 207 1HH1 ARG 27 HH21 ARG 27 3.295 13.908 -4.664 208 2HH1 ARG 27 HH22 ARG 27 4.626 14.601 -5.528 209 1HH2 ARG 27 HH11 ARG 27 4.415 12.368 -8.173 210 2HH2 ARG 27 HH12 ARG 27 5.261 13.729 -7.515 211 H ARG 28 HN ARG 28 0.567 6.716 -4.348 212 HA ARG 28 HA ARG 28 0.127 6.751 -7.138 213 1HB ARG 28 HB2 ARG 28 1.690 5.246 -5.793 214 2HB ARG 28 HB1 ARG 28 0.275 4.245 -5.478 215 1HG ARG 28 HG2 ARG 28 0.014 3.664 -7.744 216 2HG ARG 28 HG1 ARG 28 0.951 5.042 -8.316 217 1HD ARG 28 HD2 ARG 28 3.003 4.074 -7.504 218 2HD ARG 28 HD1 ARG 28 2.131 2.773 -6.708 219 HE ARG 28 HE ARG 28 1.380 2.431 -9.274 220 1HH1 ARG 28 HH11 ARG 28 4.363 2.545 -7.561 221 2HH1 ARG 28 HH12 ARG 28 5.305 1.892 -8.859 222 1HH2 ARG 28 HH21 ARG 28 2.648 1.784 -11.085 223 2HH2 ARG 28 HH22 ARG 28 4.334 1.461 -10.855 224 H ILE 29 HN ILE 29 -1.828 5.673 -4.436 225 HA ILE 29 HA ILE 29 -3.869 4.386 -5.961 226 HB ILE 29 HB ILE 29 -3.849 5.545 -3.172 227 1HG1 ILE 29 HG12 ILE 29 -2.454 3.440 -3.905 228 2HG1 ILE 29 HG11 ILE 29 -3.400 3.369 -2.426 229 1HG2 ILE 29 HG21 ILE 29 -6.025 4.080 -4.672 230 2HG2 ILE 29 HG22 ILE 29 -6.139 5.602 -3.786 231 3HG2 ILE 29 HG23 ILE 29 -5.943 4.085 -2.910 232 1HD1 ILE 29 HD11 ILE 29 -5.156 2.120 -3.529 233 2HD1 ILE 29 HD12 ILE 29 -3.627 1.338 -3.906 234 3HD1 ILE 29 HD13 ILE 29 -4.412 2.357 -5.105 235 H GLN 30 HN GLN 30 -3.535 7.661 -4.673 236 HA GLN 30 HA GLN 30 -6.099 8.620 -5.544 237 1HB GLN 30 HB2 GLN 30 -3.502 10.073 -4.960 238 2HB GLN 30 HB1 GLN 30 -4.978 10.903 -5.447 239 1HG GLN 30 HG2 GLN 30 -6.155 10.099 -3.489 240 2HG GLN 30 HG1 GLN 30 -4.812 9.057 -3.039 241 1HE2 GLN 30 HE21 GLN 30 -3.205 11.676 -4.138 242 2HE2 GLN 30 HE22 GLN 30 -3.123 12.600 -2.717 243 H TYR 31 HN TYR 31 -2.963 8.479 -7.229 244 HA TYR 31 HA TYR 31 -3.925 9.892 -9.492 245 1HB TYR 31 HB2 TYR 31 -1.592 8.057 -8.970 246 2HB TYR 31 HB1 TYR 31 -1.968 8.546 -10.621 247 HD1 TYR 31 HD1 TYR 31 -2.108 10.401 -7.335 248 HD2 TYR 31 HD2 TYR 31 -0.449 10.192 -11.297 249 HE1 TYR 31 HE1 TYR 31 -0.960 12.560 -6.969 250 HE2 TYR 31 HE2 TYR 31 0.699 12.355 -10.922 251 HH TYR 31 HH TYR 31 0.267 14.422 -9.377 252 H ALA 32 HN ALA 32 -3.916 6.473 -8.583 253 HA ALA 32 HA ALA 32 -4.854 5.511 -11.094 254 1HB ALA 32 HB1 ALA 32 -4.696 4.331 -8.334 255 2HB ALA 32 HB2 ALA 32 -3.744 3.933 -9.764 256 3HB ALA 32 HB3 ALA 32 -5.436 3.446 -9.670 257 H PHE 33 HN PHE 33 -6.445 6.442 -8.089 258 HA PHE 33 HA PHE 33 -9.111 6.047 -9.357 259 1HB PHE 33 HB2 PHE 33 -8.277 5.834 -6.459 260 2HB PHE 33 HB1 PHE 33 -9.950 5.802 -7.021 261 HD1 PHE 33 HD1 PHE 33 -6.717 4.018 -7.050 262 HD2 PHE 33 HD2 PHE 33 -10.838 3.908 -8.254 263 HE1 PHE 33 HE1 PHE 33 -6.493 1.611 -7.605 264 HE2 PHE 33 HE2 PHE 33 -10.617 1.502 -8.802 265 HZ PHE 33 HZ PHE 33 -8.443 0.353 -8.480 266 HA PRO 34 HA PRO 34 -8.642 10.565 -8.590 267 1HB PRO 34 HB2 PRO 34 -10.225 11.064 -10.968 268 2HB PRO 34 HB1 PRO 34 -8.512 11.407 -10.688 269 1HG PRO 34 HG2 PRO 34 -9.512 9.476 -12.418 270 2HG PRO 34 HG1 PRO 34 -7.854 9.549 -11.799 271 1HD PRO 34 HD2 PRO 34 -10.096 7.770 -10.962 272 2HD PRO 34 HD1 PRO 34 -8.342 7.495 -10.909 273 H ASP 35 HN ASP 35 -11.453 8.680 -9.465 274 HA ASP 35 HA ASP 35 -13.380 10.649 -8.550 275 1HB ASP 35 HB2 ASP 35 -13.642 7.905 -9.763 276 2HB ASP 35 HB1 ASP 35 -15.021 8.879 -9.257 277 H ASN 36 HN ASN 36 -11.706 8.033 -6.961 278 HA ASN 36 HA ASN 36 -13.926 7.855 -4.979 279 1HB ASN 36 HB2 ASN 36 -11.907 5.758 -5.740 280 2HB ASN 36 HB1 ASN 36 -13.152 5.590 -4.510 281 1HD2 ASN 36 HD21 ASN 36 -12.578 4.531 -7.504 282 2HD2 ASN 36 HD22 ASN 36 -14.142 4.556 -8.164 283 H GLU 37 HN GLU 37 -13.325 8.454 -2.791 284 HA GLU 37 HA GLU 37 -10.777 9.386 -2.109 285 1HB GLU 37 HB2 GLU 37 -13.134 8.363 -0.553 286 2HB GLU 37 HB1 GLU 37 -11.697 9.044 0.207 287 1HG GLU 37 HG2 GLU 37 -13.306 10.500 -1.905 288 2HG GLU 37 HG1 GLU 37 -13.572 10.697 -0.174 289 H GLY 38 HN GLY 38 -8.980 8.167 -1.715 290 1HA GLY 38 HA2 GLY 38 -9.285 5.279 -0.987 291 2HA GLY 38 HA1 GLY 38 -7.939 5.829 -1.740 292 H HIS 39 HN HIS 39 -8.803 4.839 1.274 293 HA HIS 39 HA HIS 39 -6.942 6.730 2.574 294 1HB HIS 39 HB2 HIS 39 -9.216 6.733 3.552 295 2HB HIS 39 HB1 HIS 39 -9.092 4.997 3.835 296 HD1 HIS 39 HD1 HIS 39 -7.429 4.199 5.686 297 HD2 HIS 39 HD2 HIS 39 -7.721 8.343 5.344 298 HE1 HIS 39 HE1 HIS 39 -6.307 5.169 7.739 299 H VAL 40 HN VAL 40 -4.986 5.770 3.041 300 HA VAL 40 HA VAL 40 -4.837 2.831 3.036 301 HB VAL 40 HB VAL 40 -2.716 4.892 2.408 302 1HG1 VAL 40 HG11 VAL 40 -1.555 2.876 1.461 303 2HG1 VAL 40 HG12 VAL 40 -2.802 1.873 2.201 304 3HG1 VAL 40 HG13 VAL 40 -1.731 2.840 3.215 305 1HG2 VAL 40 HG21 VAL 40 -3.082 4.138 0.061 306 2HG2 VAL 40 HG22 VAL 40 -4.523 4.898 0.740 307 3HG2 VAL 40 HG23 VAL 40 -4.430 3.142 0.610 308 H SER 41 HN SER 41 -4.162 1.841 4.797 309 HA SER 41 HA SER 41 -2.701 3.385 6.863 310 1HB SER 41 HB2 SER 41 -5.026 3.020 7.626 311 2HB SER 41 HB1 SER 41 -4.833 1.287 7.381 312 HG SER 41 HG SER 41 -2.845 2.435 8.881 313 H VAL 42 HN VAL 42 -1.026 2.424 7.856 314 HA VAL 42 HA VAL 42 -0.424 -0.374 7.130 315 HB VAL 42 HB VAL 42 1.584 1.910 7.191 316 1HG1 VAL 42 HG11 VAL 42 1.874 -1.037 6.551 317 2HG1 VAL 42 HG12 VAL 42 2.578 -0.183 7.923 318 3HG1 VAL 42 HG13 VAL 42 3.134 0.167 6.285 319 1HG2 VAL 42 HG21 VAL 42 -0.006 1.827 5.195 320 2HG2 VAL 42 HG22 VAL 42 0.728 0.276 4.793 321 3HG2 VAL 42 HG23 VAL 42 1.711 1.736 4.807 322 H ARG 43 HN ARG 43 -0.043 -1.608 8.817 323 HA ARG 43 HA ARG 43 1.115 -0.441 11.228 324 1HB ARG 43 HB2 ARG 43 -1.229 -0.102 11.654 325 2HB ARG 43 HB1 ARG 43 -1.612 -1.752 11.171 326 1HG ARG 43 HG2 ARG 43 -0.478 -2.663 13.087 327 2HG ARG 43 HG1 ARG 43 0.207 -1.093 13.505 328 1HD ARG 43 HD2 ARG 43 -1.984 -0.217 14.037 329 2HD ARG 43 HD1 ARG 43 -2.768 -1.666 13.419 330 HE ARG 43 HE ARG 43 -1.474 -1.360 16.001 331 1HH1 ARG 43 HH21 ARG 43 -3.750 -3.100 14.305 332 2HH1 ARG 43 HH22 ARG 43 -3.414 -4.634 15.036 333 1HH2 ARG 43 HH11 ARG 43 -0.541 -3.541 16.639 334 2HH2 ARG 43 HH12 ARG 43 -1.598 -4.884 16.356 335 H TYR 44 HN TYR 44 1.777 -2.072 12.799 336 HA TYR 44 HA TYR 44 2.744 -4.511 11.500 337 1HB TYR 44 HB2 TYR 44 3.074 -3.390 14.300 338 2HB TYR 44 HB1 TYR 44 3.755 -4.914 13.768 339 HD1 TYR 44 HD1 TYR 44 5.222 -4.833 11.582 340 HD2 TYR 44 HD2 TYR 44 4.338 -1.434 14.063 341 HE1 TYR 44 HE1 TYR 44 7.202 -3.648 10.672 342 HE2 TYR 44 HE2 TYR 44 6.317 -0.256 13.159 343 HH TYR 44 HH TYR 44 8.653 -1.176 12.045 344 H ALA 45 HN ALA 45 2.042 -6.506 11.778 345 HA ALA 45 HA ALA 45 -0.016 -7.072 13.801 346 1HB ALA 45 HB1 ALA 45 -0.942 -6.469 11.413 347 2HB ALA 45 HB2 ALA 45 -1.582 -7.874 12.265 348 3HB ALA 45 HB3 ALA 45 -0.380 -8.086 10.990 349 H ALA 46 HN ALA 46 -0.376 -9.512 13.922 350 HA ALA 46 HA ALA 46 2.129 -10.778 14.220 351 1HB ALA 46 HB1 ALA 46 -0.493 -12.259 13.922 352 2HB ALA 46 HB2 ALA 46 -0.070 -11.395 15.400 353 3HB ALA 46 HB3 ALA 46 0.925 -12.744 14.851 354 H ALA 47 HN ALA 47 -0.030 -10.565 11.468 355 HA ALA 47 HA ALA 47 1.996 -12.051 9.908 356 1HB ALA 47 HB1 ALA 47 -0.976 -12.526 9.623 357 2HB ALA 47 HB2 ALA 47 0.108 -13.580 10.533 358 3HB ALA 47 HB3 ALA 47 0.327 -13.378 8.795 359 H ASN 48 HN ASN 48 2.094 -11.612 7.684 360 HA ASN 48 HA ASN 48 1.429 -8.907 6.919 361 1HB ASN 48 HB2 ASN 48 3.435 -10.093 6.046 362 2HB ASN 48 HB1 ASN 48 2.379 -11.243 5.230 363 1HD2 ASN 48 HD21 ASN 48 3.261 -7.769 5.311 364 2HD2 ASN 48 HD22 ASN 48 2.756 -7.448 3.722 365 H ASN 49 HN ASN 49 -0.479 -8.244 6.025 366 HA ASN 49 HA ASN 49 -2.074 -10.078 4.414 367 1HB ASN 49 HB2 ASN 49 -2.826 -10.505 6.743 368 2HB ASN 49 HB1 ASN 49 -3.255 -8.804 6.888 369 1HD2 ASN 49 HD21 ASN 49 -5.503 -8.717 6.758 370 2HD2 ASN 49 HD22 ASN 49 -6.429 -9.495 5.566 371 H LEU 50 HN LEU 50 -3.579 -9.024 3.103 372 HA LEU 50 HA LEU 50 -3.511 -6.063 3.091 373 1HB LEU 50 HB2 LEU 50 -2.107 -6.996 1.263 374 2HB LEU 50 HB1 LEU 50 -3.478 -7.953 0.713 375 HG LEU 50 HG LEU 50 -4.763 -5.843 0.339 376 1HD1 LEU 50 HD11 LEU 50 -3.209 -3.748 0.196 377 2HD1 LEU 50 HD12 LEU 50 -2.213 -4.630 1.353 378 3HD1 LEU 50 HD13 LEU 50 -3.885 -4.228 1.748 379 1HD2 LEU 50 HD21 LEU 50 -2.088 -6.085 -1.073 380 2HD2 LEU 50 HD22 LEU 50 -3.419 -5.081 -1.644 381 3HD2 LEU 50 HD23 LEU 50 -3.610 -6.832 -1.561 382 H SER 51 HN SER 51 -5.597 -5.302 3.375 383 HA SER 51 HA SER 51 -7.841 -7.053 2.513 384 1HB SER 51 HB2 SER 51 -7.658 -5.191 4.889 385 2HB SER 51 HB1 SER 51 -9.132 -5.990 4.349 386 HG SER 51 HG SER 51 -7.990 -7.133 6.011 387 H VAL 52 HN VAL 52 -9.220 -6.118 1.079 388 HA VAL 52 HA VAL 52 -9.200 -3.182 0.817 389 HB VAL 52 HB VAL 52 -9.464 -5.239 -1.395 390 1HG1 VAL 52 HG11 VAL 52 -9.715 -2.227 -1.332 391 2HG1 VAL 52 HG12 VAL 52 -10.858 -3.401 -1.981 392 3HG1 VAL 52 HG13 VAL 52 -9.335 -3.101 -2.816 393 1HG2 VAL 52 HG21 VAL 52 -7.353 -4.150 -2.203 394 2HG2 VAL 52 HG22 VAL 52 -7.156 -4.998 -0.669 395 3HG2 VAL 52 HG23 VAL 52 -7.295 -3.239 -0.693 396 H ILE 53 HN ILE 53 -11.186 -2.305 1.191 397 HA ILE 53 HA ILE 53 -13.578 -4.049 0.892 398 HB ILE 53 HB ILE 53 -13.069 -1.882 2.949 399 1HG1 ILE 53 HG12 ILE 53 -13.511 -4.845 3.405 400 2HG1 ILE 53 HG11 ILE 53 -11.898 -4.151 3.222 401 1HG2 ILE 53 HG21 ILE 53 -15.466 -3.630 2.352 402 2HG2 ILE 53 HG22 ILE 53 -15.403 -1.868 2.407 403 3HG2 ILE 53 HG23 ILE 53 -15.245 -2.804 3.894 404 1HD1 ILE 53 HD11 ILE 53 -12.306 -2.650 5.114 405 2HD1 ILE 53 HD12 ILE 53 -12.574 -4.322 5.605 406 3HD1 ILE 53 HD13 ILE 53 -13.949 -3.270 5.273 407 H GLY 54 HN GLY 54 -15.138 -3.339 -0.418 408 1HA GLY 54 HA2 GLY 54 -16.597 -1.720 -1.353 409 2HA GLY 54 HA1 GLY 54 -15.437 -0.465 -0.923 410 H ALA 55 HN ALA 55 -14.067 -3.231 -2.475 411 HA ALA 55 HA ALA 55 -14.005 -1.747 -5.046 412 1HB ALA 55 HB1 ALA 55 -11.720 -2.186 -5.307 413 2HB ALA 55 HB2 ALA 55 -11.741 -3.518 -4.150 414 3HB ALA 55 HB3 ALA 55 -11.844 -1.854 -3.580 415 H THR 56 HN THR 56 -13.543 -2.997 -6.920 416 HA THR 56 HA THR 56 -15.024 -5.554 -7.141 417 HB THR 56 HB THR 56 -14.879 -5.094 -9.481 418 HG1 THR 56 HG1 THR 56 -13.812 -2.768 -9.703 419 1HG2 THR 56 HG21 THR 56 -16.614 -3.880 -8.195 420 2HG2 THR 56 HG22 THR 56 -16.066 -2.944 -9.586 421 3HG2 THR 56 HG23 THR 56 -15.493 -2.538 -7.969 422 H LYS 57 HN LYS 57 -14.119 -7.322 -8.219 423 HA LYS 57 HA LYS 57 -11.635 -8.121 -7.264 424 1HB LYS 57 HB2 LYS 57 -13.333 -9.746 -8.006 425 2HB LYS 57 HB1 LYS 57 -13.127 -9.221 -9.676 426 1HG LYS 57 HG2 LYS 57 -10.772 -10.000 -9.633 427 2HG LYS 57 HG1 LYS 57 -10.974 -10.530 -7.961 428 1HD LYS 57 HD2 LYS 57 -12.624 -12.159 -8.599 429 2HD LYS 57 HD1 LYS 57 -12.691 -11.525 -10.243 430 1HE LYS 57 HE2 LYS 57 -11.310 -13.550 -10.191 431 2HE LYS 57 HE1 LYS 57 -10.304 -12.149 -10.559 432 1HZ LYS 57 HZ1 LYS 57 -10.590 -13.522 -7.946 433 2HZ LYS 57 HZ2 LYS 57 -9.796 -12.033 -8.141 434 3HZ LYS 57 HZ3 LYS 57 -9.198 -13.425 -8.911 435 H GLU 58 HN GLU 58 -12.387 -6.739 -10.511 436 HA GLU 58 HA GLU 58 -9.766 -7.108 -11.555 437 1HB GLU 58 HB2 GLU 58 -11.753 -6.627 -12.955 438 2HB GLU 58 HB1 GLU 58 -11.849 -5.019 -12.239 439 1HG GLU 58 HG2 GLU 58 -9.596 -4.494 -13.092 440 2HG GLU 58 HG1 GLU 58 -9.479 -6.110 -13.788 441 H ASP 59 HN ASP 59 -11.291 -4.542 -9.646 442 HA ASP 59 HA ASP 59 -9.174 -2.681 -9.835 443 1HB ASP 59 HB2 ASP 59 -11.283 -3.124 -7.714 444 2HB ASP 59 HB1 ASP 59 -10.135 -1.790 -7.672 445 H LYS 60 HN LYS 60 -9.976 -5.269 -7.569 446 HA LYS 60 HA LYS 60 -7.793 -4.857 -5.807 447 1HB LYS 60 HB2 LYS 60 -9.406 -7.353 -6.400 448 2HB LYS 60 HB1 LYS 60 -8.172 -7.270 -5.145 449 1HG LYS 60 HG2 LYS 60 -9.405 -5.432 -4.050 450 2HG LYS 60 HG1 LYS 60 -10.645 -5.522 -5.305 451 1HD LYS 60 HD2 LYS 60 -11.081 -7.885 -4.687 452 2HD LYS 60 HD1 LYS 60 -9.881 -7.757 -3.403 453 1HE LYS 60 HE2 LYS 60 -11.834 -7.318 -2.213 454 2HE LYS 60 HE1 LYS 60 -11.363 -5.679 -2.662 455 1HZ LYS 60 HZ1 LYS 60 -13.219 -5.474 -3.815 456 2HZ LYS 60 HZ2 LYS 60 -13.710 -7.018 -3.305 457 3HZ LYS 60 HZ3 LYS 60 -12.843 -6.835 -4.754 458 H GLN 61 HN GLN 61 -7.967 -6.830 -8.795 459 HA GLN 61 HA GLN 61 -5.374 -7.955 -8.393 460 1HB GLN 61 HB2 GLN 61 -7.015 -8.826 -10.079 461 2HB GLN 61 HB1 GLN 61 -6.761 -7.361 -11.027 462 1HG GLN 61 HG2 GLN 61 -4.399 -7.888 -11.295 463 2HG GLN 61 HG1 GLN 61 -4.557 -9.285 -10.231 464 1HE2 GLN 61 HE21 GLN 61 -3.645 -9.542 -12.953 465 2HE2 GLN 61 HE22 GLN 61 -4.819 -10.411 -13.817 466 H ARG 62 HN ARG 62 -6.560 -4.971 -9.974 467 HA ARG 62 HA ARG 62 -4.071 -4.151 -10.950 468 1HB ARG 62 HB2 ARG 62 -6.153 -3.070 -11.686 469 2HB ARG 62 HB1 ARG 62 -6.437 -2.466 -10.055 470 1HG ARG 62 HG2 ARG 62 -4.489 -1.039 -10.165 471 2HG ARG 62 HG1 ARG 62 -3.988 -1.754 -11.698 472 1HD ARG 62 HD2 ARG 62 -5.072 0.367 -12.157 473 2HD ARG 62 HD1 ARG 62 -6.118 -0.933 -12.721 474 HE ARG 62 HE ARG 62 -6.806 -0.255 -10.057 475 1HH1 ARG 62 HH21 ARG 62 -6.423 2.423 -11.599 476 2HH1 ARG 62 HH22 ARG 62 -8.055 2.739 -12.085 477 1HH2 ARG 62 HH11 ARG 62 -9.156 -0.481 -11.420 478 2HH2 ARG 62 HH12 ARG 62 -9.602 1.096 -11.982 479 H ILE 63 HN ILE 63 -5.664 -3.475 -7.865 480 HA ILE 63 HA ILE 63 -3.627 -1.818 -6.847 481 HB ILE 63 HB ILE 63 -5.619 -3.568 -5.428 482 1HG1 ILE 63 HG12 ILE 63 -5.525 -0.555 -5.563 483 2HG1 ILE 63 HG11 ILE 63 -6.352 -1.517 -6.786 484 1HG2 ILE 63 HG21 ILE 63 -5.048 -2.113 -3.410 485 2HG2 ILE 63 HG22 ILE 63 -3.605 -1.622 -4.298 486 3HG2 ILE 63 HG23 ILE 63 -3.835 -3.313 -3.856 487 1HD1 ILE 63 HD11 ILE 63 -6.912 -1.780 -3.824 488 2HD1 ILE 63 HD12 ILE 63 -7.845 -2.463 -5.157 489 3HD1 ILE 63 HD13 ILE 63 -7.833 -0.719 -4.890 490 H SER 64 HN SER 64 -3.993 -5.313 -6.684 491 HA SER 64 HA SER 64 -1.719 -5.770 -5.053 492 1HB SER 64 HB2 SER 64 -2.876 -7.485 -7.270 493 2HB SER 64 HB1 SER 64 -1.690 -8.030 -6.087 494 HG SER 64 HG SER 64 -3.652 -6.874 -4.759 495 H GLU 65 HN GLU 65 -2.107 -5.306 -8.612 496 HA GLU 65 HA GLU 65 0.606 -5.807 -9.222 497 1HB GLU 65 HB2 GLU 65 -1.524 -4.210 -10.666 498 2HB GLU 65 HB1 GLU 65 0.091 -4.485 -11.323 499 1HG GLU 65 HG2 GLU 65 -0.254 -6.921 -11.167 500 2HG GLU 65 HG1 GLU 65 -1.867 -6.653 -10.511 501 H ILE 66 HN ILE 66 -1.138 -2.829 -8.406 502 HA ILE 66 HA ILE 66 0.986 -1.035 -8.814 503 HB ILE 66 HB ILE 66 -1.389 -0.939 -6.941 504 1HG1 ILE 66 HG12 ILE 66 -0.753 0.539 -9.517 505 2HG1 ILE 66 HG11 ILE 66 -1.752 -0.912 -9.429 506 1HG2 ILE 66 HG21 ILE 66 -0.850 1.542 -6.832 507 2HG2 ILE 66 HG22 ILE 66 0.717 1.155 -7.537 508 3HG2 ILE 66 HG23 ILE 66 0.278 0.511 -5.956 509 1HD1 ILE 66 HD11 ILE 66 -3.295 0.271 -7.878 510 2HD1 ILE 66 HD12 ILE 66 -3.179 1.080 -9.441 511 3HD1 ILE 66 HD13 ILE 66 -2.316 1.729 -8.046 512 H LEU 67 HN LEU 67 -0.020 -2.792 -5.903 513 HA LEU 67 HA LEU 67 1.961 -1.773 -4.191 514 1HB LEU 67 HB2 LEU 67 0.138 -3.026 -3.212 515 2HB LEU 67 HB1 LEU 67 0.491 -4.426 -4.217 516 HG LEU 67 HG LEU 67 2.708 -4.660 -3.027 517 1HD1 LEU 67 HD11 LEU 67 3.220 -2.540 -2.132 518 2HD1 LEU 67 HD12 LEU 67 2.676 -3.426 -0.712 519 3HD1 LEU 67 HD13 LEU 67 1.585 -2.297 -1.513 520 1HD2 LEU 67 HD21 LEU 67 0.541 -5.843 -2.366 521 2HD2 LEU 67 HD22 LEU 67 0.379 -4.636 -1.091 522 3HD2 LEU 67 HD23 LEU 67 1.767 -5.723 -1.104 523 H GLN 68 HN GLN 68 1.963 -4.487 -6.428 524 HA GLN 68 HA GLN 68 4.549 -5.443 -5.739 525 1HB GLN 68 HB2 GLN 68 2.928 -6.751 -7.082 526 2HB GLN 68 HB1 GLN 68 3.101 -5.588 -8.398 527 1HG GLN 68 HG2 GLN 68 5.439 -6.132 -8.663 528 2HG GLN 68 HG1 GLN 68 5.418 -7.137 -7.214 529 1HE2 GLN 68 HE21 GLN 68 6.259 -8.391 -9.528 530 2HE2 GLN 68 HE22 GLN 68 5.056 -9.439 -10.107 531 H GLU 69 HN GLU 69 3.551 -3.192 -8.403 532 HA GLU 69 HA GLU 69 6.153 -2.746 -9.316 533 1HB GLU 69 HB2 GLU 69 3.698 -0.987 -9.430 534 2HB GLU 69 HB1 GLU 69 5.207 -0.609 -10.263 535 1HG GLU 69 HG2 GLU 69 5.093 -2.760 -11.461 536 2HG GLU 69 HG1 GLU 69 3.586 -3.141 -10.631 537 H THR 70 HN THR 70 4.337 -0.883 -6.865 538 HA THR 70 HA THR 70 6.272 1.118 -6.482 539 HB THR 70 HB THR 70 4.349 -0.050 -4.506 540 HG1 THR 70 HG1 THR 70 4.216 2.207 -6.200 541 1HG2 THR 70 HG21 THR 70 5.999 1.160 -3.277 542 2HG2 THR 70 HG22 THR 70 4.616 2.243 -3.443 543 3HG2 THR 70 HG23 THR 70 6.030 2.452 -4.478 544 H TRP 71 HN TRP 71 5.734 -1.910 -4.852 545 HA TRP 71 HA TRP 71 7.798 -1.834 -3.033 546 1HB TRP 71 HB2 TRP 71 5.849 -3.344 -3.039 547 2HB TRP 71 HB1 TRP 71 6.548 -4.195 -4.404 548 HD1 TRP 71 HD1 TRP 71 7.341 -6.425 -3.545 549 HE1 TRP 71 HE1 TRP 71 8.741 -7.271 -1.561 550 HE3 TRP 71 HE3 TRP 71 7.894 -2.066 -0.870 551 HZ2 TRP 71 HZ2 TRP 71 9.915 -6.268 0.828 552 HZ3 TRP 71 HZ3 TRP 71 9.147 -2.070 1.249 553 HH2 TRP 71 HH2 TRP 71 10.152 -4.161 2.110 554 H GLU 72 HN GLU 72 7.784 -2.939 -6.356 555 HA GLU 72 HA GLU 72 10.492 -3.864 -6.282 556 1HB GLU 72 HB2 GLU 72 8.583 -3.390 -8.577 557 2HB GLU 72 HB1 GLU 72 10.223 -4.001 -8.803 558 1HG GLU 72 HG2 GLU 72 9.739 -5.890 -7.302 559 2HG GLU 72 HG1 GLU 72 8.106 -5.284 -7.051 560 H SER 73 HN SER 73 9.149 -0.698 -6.679 561 HA SER 73 HA SER 73 11.686 0.237 -7.907 562 1HB SER 73 HB2 SER 73 10.414 2.317 -8.408 563 2HB SER 73 HB1 SER 73 9.693 0.890 -9.146 564 HG SER 73 HG SER 73 8.803 1.341 -6.609 565 H ALA 74 HN ALA 74 11.093 -0.421 -4.989 566 HA ALA 74 HA ALA 74 10.846 1.704 -3.352 567 1HB ALA 74 HB1 ALA 74 12.624 -0.694 -3.025 568 2HB ALA 74 HB2 ALA 74 10.919 -0.569 -2.587 569 3HB ALA 74 HB3 ALA 74 12.127 0.385 -1.722 570 H ASP 75 HN ASP 75 13.875 0.886 -5.007 571 HA ASP 75 HA ASP 75 15.528 2.557 -3.386 572 1HB ASP 75 HB2 ASP 75 15.883 1.414 -6.149 573 2HB ASP 75 HB1 ASP 75 17.126 2.354 -5.324 574 H ASP 76 HN ASP 76 13.341 3.340 -5.984 575 HA ASP 76 HA ASP 76 14.718 5.872 -6.590 576 1HB ASP 76 HB2 ASP 76 12.276 4.509 -7.724 577 2HB ASP 76 HB1 ASP 76 12.802 6.119 -8.214 578 H TRP 77 HN TRP 77 11.553 4.866 -5.248 579 HA TRP 77 HA TRP 77 10.937 7.682 -4.674 580 1HB TRP 77 HB2 TRP 77 8.759 7.021 -4.143 581 2HB TRP 77 HB1 TRP 77 9.224 6.086 -5.549 582 HD1 TRP 77 HD1 TRP 77 9.207 3.468 -5.325 583 HE1 TRP 77 HE1 TRP 77 8.659 1.845 -3.425 584 HE3 TRP 77 HE3 TRP 77 8.954 6.724 -1.291 585 HZ2 TRP 77 HZ2 TRP 77 8.196 1.864 -0.631 586 HZ3 TRP 77 HZ3 TRP 77 8.460 5.837 0.932 587 HH2 TRP 77 HH2 TRP 77 8.089 3.437 1.273 588 H PHE 78 HN PHE 78 12.287 5.029 -2.871 589 HA PHE 78 HA PHE 78 11.480 6.267 -0.323 590 1HB PHE 78 HB2 PHE 78 11.509 3.817 -0.388 591 2HB PHE 78 HB1 PHE 78 13.216 3.847 -0.824 592 HD1 PHE 78 HD1 PHE 78 10.979 5.429 1.765 593 HD2 PHE 78 HD2 PHE 78 14.762 3.530 0.942 594 HE1 PHE 78 HE1 PHE 78 11.617 5.644 4.140 595 HE2 PHE 78 HE2 PHE 78 15.375 3.743 3.326 596 HZ PHE 78 HZ PHE 78 13.806 4.798 4.927 597 H VAL 79 HN VAL 79 12.610 7.694 0.727 598 HA VAL 79 HA VAL 79 15.475 8.029 0.096 599 HB VAL 79 HB VAL 79 14.932 10.496 0.760 600 1HG1 VAL 79 HG11 VAL 79 15.604 10.032 -1.476 601 2HG1 VAL 79 HG12 VAL 79 14.073 10.893 -1.635 602 3HG1 VAL 79 HG13 VAL 79 14.122 9.139 -1.816 603 1HG2 VAL 79 HG21 VAL 79 12.666 11.203 0.447 604 2HG2 VAL 79 HG22 VAL 79 12.586 9.811 1.523 605 3HG2 VAL 79 HG23 VAL 79 12.185 9.627 -0.189 606 H SER 80 HN SER 80 16.840 8.228 1.977 607 HA SER 80 HA SER 80 15.453 8.247 4.609 608 1HB SER 80 HB2 SER 80 17.353 6.807 5.377 609 2HB SER 80 HB1 SER 80 16.364 6.015 4.147 610 HG SER 80 HG SER 80 18.972 6.922 4.048 611 H GLU 81 HN GLU 81 16.222 9.604 6.101 612 HA GLU 81 HA GLU 81 17.766 11.827 5.382 613 1HB GLU 81 HB2 GLU 81 16.238 11.830 7.305 614 2HB GLU 81 HB1 GLU 81 17.280 10.685 8.147 615 1HG GLU 81 HG2 GLU 81 19.113 12.306 8.156 616 2HG GLU 81 HG1 GLU 81 18.140 13.442 7.223 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -13.473 4.577 -1.139 2 2H MET 1 HT2 MET 1 -14.318 4.109 0.258 3 3H MET 1 HT3 MET 1 -14.908 3.685 -1.277 4 HA MET 1 HA MET 1 -13.940 1.747 -0.429 5 1HB MET 1 HB2 MET 1 -13.388 2.330 -2.790 6 2HB MET 1 HB1 MET 1 -11.911 3.112 -2.228 7 1HG MET 1 HG2 MET 1 -11.120 0.980 -1.289 8 2HG MET 1 HG1 MET 1 -12.608 0.191 -1.806 9 1HE MET 1 HE1 MET 1 -10.361 2.910 -4.003 10 2HE MET 1 HE2 MET 1 -9.096 1.709 -4.251 11 3HE MET 1 HE3 MET 1 -9.590 2.134 -2.613 12 H ARG 2 HN ARG 2 -12.448 0.782 0.981 13 HA ARG 2 HA ARG 2 -10.428 2.580 2.212 14 1HB ARG 2 HB2 ARG 2 -12.205 0.528 3.569 15 2HB ARG 2 HB1 ARG 2 -10.868 1.366 4.358 16 1HG ARG 2 HG2 ARG 2 -11.942 3.538 3.883 17 2HG ARG 2 HG1 ARG 2 -13.280 2.703 3.092 18 1HD ARG 2 HD2 ARG 2 -13.829 1.553 5.188 19 2HD ARG 2 HD1 ARG 2 -12.470 2.333 5.993 20 HE ARG 2 HE ARG 2 -14.255 4.248 4.820 21 1HH1 ARG 2 HH21 ARG 2 -12.877 4.415 7.542 22 2HH1 ARG 2 HH22 ARG 2 -14.232 4.334 8.618 23 1HH2 ARG 2 HH11 ARG 2 -16.418 3.150 6.202 24 2HH2 ARG 2 HH12 ARG 2 -16.236 3.617 7.859 25 H ILE 3 HN ILE 3 -8.416 1.813 2.337 26 HA ILE 3 HA ILE 3 -7.920 -1.035 1.616 27 HB ILE 3 HB ILE 3 -6.268 1.435 1.063 28 1HG1 ILE 3 HG12 ILE 3 -7.569 -0.466 -0.896 29 2HG1 ILE 3 HG11 ILE 3 -8.396 0.974 -0.300 30 1HG2 ILE 3 HG21 ILE 3 -4.936 -0.255 -0.318 31 2HG2 ILE 3 HG22 ILE 3 -5.782 -1.512 0.585 32 3HG2 ILE 3 HG23 ILE 3 -4.745 -0.365 1.432 33 1HD1 ILE 3 HD11 ILE 3 -5.675 1.002 -1.634 34 2HD1 ILE 3 HD12 ILE 3 -6.632 2.405 -1.160 35 3HD1 ILE 3 HD13 ILE 3 -7.192 1.354 -2.460 36 H GLU 4 HN GLU 4 -6.929 -2.180 3.199 37 HA GLU 4 HA GLU 4 -5.253 -0.734 5.198 38 1HB GLU 4 HB2 GLU 4 -7.075 -3.112 5.689 39 2HB GLU 4 HB1 GLU 4 -6.024 -2.359 6.890 40 1HG GLU 4 HG2 GLU 4 -7.225 -0.221 6.604 41 2HG GLU 4 HG1 GLU 4 -8.277 -0.972 5.407 42 H VAL 5 HN VAL 5 -3.238 -1.399 5.394 43 HA VAL 5 HA VAL 5 -2.488 -4.067 4.293 44 HB VAL 5 HB VAL 5 -0.717 -1.622 4.398 45 1HG1 VAL 5 HG11 VAL 5 0.656 -2.928 2.835 46 2HG1 VAL 5 HG12 VAL 5 -0.523 -4.239 2.877 47 3HG1 VAL 5 HG13 VAL 5 0.398 -3.835 4.326 48 1HG2 VAL 5 HG21 VAL 5 -1.153 -1.680 1.848 49 2HG2 VAL 5 HG22 VAL 5 -2.417 -0.999 2.871 50 3HG2 VAL 5 HG23 VAL 5 -2.578 -2.636 2.248 51 H THR 6 HN THR 6 -1.334 -5.414 5.542 52 HA THR 6 HA THR 6 -0.246 -4.370 8.103 53 HB THR 6 HB THR 6 -0.759 -6.734 8.962 54 HG1 THR 6 HG1 THR 6 -2.491 -6.619 6.723 55 1HG2 THR 6 HG21 THR 6 -3.126 -4.988 8.223 56 2HG2 THR 6 HG22 THR 6 -2.029 -4.640 9.559 57 3HG2 THR 6 HG23 THR 6 -3.019 -6.100 9.587 58 H ILE 7 HN ILE 7 1.735 -4.885 8.580 59 HA ILE 7 HA ILE 7 3.245 -6.711 6.794 60 HB ILE 7 HB ILE 7 3.981 -4.173 8.239 61 1HG1 ILE 7 HG12 ILE 7 4.246 -4.979 5.322 62 2HG1 ILE 7 HG11 ILE 7 2.871 -4.091 5.976 63 1HG2 ILE 7 HG21 ILE 7 5.725 -6.363 7.073 64 2HG2 ILE 7 HG22 ILE 7 5.910 -5.508 8.604 65 3HG2 ILE 7 HG23 ILE 7 6.292 -4.693 7.090 66 1HD1 ILE 7 HD11 ILE 7 4.169 -2.184 6.454 67 2HD1 ILE 7 HD12 ILE 7 4.812 -2.730 4.904 68 3HD1 ILE 7 HD13 ILE 7 5.685 -3.084 6.395 69 H ALA 8 HN ALA 8 4.285 -8.398 7.744 70 HA ALA 8 HA ALA 8 3.752 -9.070 10.430 71 1HB ALA 8 HB1 ALA 8 5.819 -10.120 8.482 72 2HB ALA 8 HB2 ALA 8 4.208 -10.782 8.767 73 3HB ALA 8 HB3 ALA 8 5.438 -10.878 10.029 74 H LYS 9 HN LYS 9 4.711 -8.654 12.163 75 HA LYS 9 HA LYS 9 6.642 -6.655 12.451 76 1HB LYS 9 HB2 LYS 9 6.497 -7.004 14.797 77 2HB LYS 9 HB1 LYS 9 4.920 -7.497 14.179 78 1HG LYS 9 HG2 LYS 9 5.700 -9.872 14.163 79 2HG LYS 9 HG1 LYS 9 7.219 -9.351 14.889 80 1HD LYS 9 HD2 LYS 9 5.886 -8.344 16.774 81 2HD LYS 9 HD1 LYS 9 4.453 -9.118 16.093 82 1HE LYS 9 HE2 LYS 9 6.971 -10.518 17.039 83 2HE LYS 9 HE1 LYS 9 5.395 -10.554 17.830 84 1HZ LYS 9 HZ1 LYS 9 5.610 -12.527 16.551 85 2HZ LYS 9 HZ2 LYS 9 6.102 -11.668 15.172 86 3HZ LYS 9 HZ3 LYS 9 4.506 -11.531 15.737 87 H THR 10 HN THR 10 7.065 -10.020 11.877 88 HA THR 10 HA THR 10 9.684 -10.367 12.890 89 HB THR 10 HB THR 10 9.810 -12.130 11.053 90 HG1 THR 10 HG1 THR 10 8.384 -11.935 9.556 91 1HG2 THR 10 HG21 THR 10 7.540 -12.064 13.051 92 2HG2 THR 10 HG22 THR 10 9.125 -12.814 13.240 93 3HG2 THR 10 HG23 THR 10 7.951 -13.503 12.119 94 H SER 11 HN SER 11 8.478 -8.352 10.437 95 HA SER 11 HA SER 11 11.190 -8.056 9.243 96 1HB SER 11 HB2 SER 11 9.530 -9.002 7.658 97 2HB SER 11 HB1 SER 11 8.515 -7.584 7.904 98 HG SER 11 HG SER 11 11.088 -6.915 7.362 99 HA PRO 12 HA PRO 12 9.988 -3.946 11.077 100 1HB PRO 12 HB2 PRO 12 12.640 -3.749 12.197 101 2HB PRO 12 HB1 PRO 12 11.119 -3.971 13.080 102 1HG PRO 12 HG2 PRO 12 13.152 -5.855 12.896 103 2HG PRO 12 HG1 PRO 12 11.473 -6.200 13.345 104 1HD PRO 12 HD2 PRO 12 12.853 -6.639 10.722 105 2HD PRO 12 HD1 PRO 12 11.548 -7.568 11.485 106 H LEU 13 HN LEU 13 10.098 -2.126 10.123 107 HA LEU 13 HA LEU 13 12.244 -1.747 8.121 108 1HB LEU 13 HB2 LEU 13 9.645 -0.215 8.264 109 2HB LEU 13 HB1 LEU 13 10.733 -0.396 6.892 110 HG LEU 13 HG LEU 13 9.015 -2.573 8.120 111 1HD1 LEU 13 HD11 LEU 13 7.764 -1.002 6.690 112 2HD1 LEU 13 HD12 LEU 13 7.921 -2.567 5.894 113 3HD1 LEU 13 HD13 LEU 13 8.945 -1.222 5.398 114 1HD2 LEU 13 HD21 LEU 13 10.968 -3.706 7.404 115 2HD2 LEU 13 HD22 LEU 13 11.187 -2.645 6.015 116 3HD2 LEU 13 HD23 LEU 13 9.889 -3.837 6.019 117 HA PRO 14 HA PRO 14 14.059 1.371 10.630 118 1HB PRO 14 HB2 PRO 14 14.239 3.461 8.621 119 2HB PRO 14 HB1 PRO 14 15.524 2.396 9.208 120 1HG PRO 14 HG2 PRO 14 14.002 2.238 6.729 121 2HG PRO 14 HG1 PRO 14 15.476 1.378 7.190 122 1HD PRO 14 HD2 PRO 14 12.949 0.208 6.950 123 2HD PRO 14 HD1 PRO 14 14.310 -0.495 7.842 124 H ALA 15 HN ALA 15 13.685 3.232 11.745 125 HA ALA 15 HA ALA 15 11.064 3.884 12.409 126 1HB ALA 15 HB1 ALA 15 13.511 5.591 12.841 127 2HB ALA 15 HB2 ALA 15 13.069 4.198 13.828 128 3HB ALA 15 HB3 ALA 15 12.018 5.617 13.783 129 H GLY 16 HN GLY 16 10.914 4.258 9.680 130 1HA GLY 16 HA2 GLY 16 9.851 6.893 9.462 131 2HA GLY 16 HA1 GLY 16 11.395 6.819 8.653 132 H ALA 17 HN ALA 17 10.773 3.861 8.226 133 HA ALA 17 HA ALA 17 9.900 4.153 5.523 134 1HB ALA 17 HB1 ALA 17 10.742 1.892 7.279 135 2HB ALA 17 HB2 ALA 17 11.415 2.413 5.737 136 3HB ALA 17 HB3 ALA 17 9.896 1.515 5.776 137 H ILE 18 HN ILE 18 8.106 2.892 8.326 138 HA ILE 18 HA ILE 18 5.967 1.939 6.794 139 HB ILE 18 HB ILE 18 6.065 3.061 9.598 140 1HG1 ILE 18 HG12 ILE 18 7.232 0.827 8.815 141 2HG1 ILE 18 HG11 ILE 18 6.309 0.852 10.311 142 1HG2 ILE 18 HG21 ILE 18 3.797 3.354 9.037 143 2HG2 ILE 18 HG22 ILE 18 3.826 1.758 9.789 144 3HG2 ILE 18 HG23 ILE 18 3.761 1.904 8.033 145 1HD1 ILE 18 HD11 ILE 18 4.531 -0.352 9.396 146 2HD1 ILE 18 HD12 ILE 18 5.910 -1.079 8.573 147 3HD1 ILE 18 HD13 ILE 18 4.922 0.120 7.744 148 H ASP 19 HN ASP 19 6.441 5.110 8.347 149 HA ASP 19 HA ASP 19 4.033 6.237 7.336 150 1HB ASP 19 HB2 ASP 19 5.159 8.452 7.800 151 2HB ASP 19 HB1 ASP 19 5.102 7.367 9.187 152 H ALA 20 HN ALA 20 7.279 5.986 5.967 153 HA ALA 20 HA ALA 20 6.692 7.701 3.803 154 1HB ALA 20 HB1 ALA 20 8.772 7.078 2.916 155 2HB ALA 20 HB2 ALA 20 8.684 5.455 3.605 156 3HB ALA 20 HB3 ALA 20 8.994 6.839 4.649 157 H LEU 21 HN LEU 21 6.439 4.183 4.203 158 HA LEU 21 HA LEU 21 5.745 3.518 1.584 159 1HB LEU 21 HB2 LEU 21 6.452 1.845 3.170 160 2HB LEU 21 HB1 LEU 21 5.112 2.227 4.242 161 HG LEU 21 HG LEU 21 3.546 1.489 2.452 162 1HD1 LEU 21 HD11 LEU 21 4.851 1.736 0.444 163 2HD1 LEU 21 HD12 LEU 21 4.574 0.011 0.655 164 3HD1 LEU 21 HD13 LEU 21 6.130 0.710 1.088 165 1HD2 LEU 21 HD21 LEU 21 5.604 -0.567 3.277 166 2HD2 LEU 21 HD22 LEU 21 3.946 -0.907 2.782 167 3HD2 LEU 21 HD23 LEU 21 4.256 -0.019 4.275 168 H ALA 22 HN ALA 22 3.726 4.311 4.379 169 HA ALA 22 HA ALA 22 1.210 4.022 3.082 170 1HB ALA 22 HB1 ALA 22 2.050 5.780 5.405 171 2HB ALA 22 HB2 ALA 22 1.330 4.173 5.514 172 3HB ALA 22 HB3 ALA 22 0.382 5.525 4.895 173 H GLY 23 HN GLY 23 3.454 6.757 3.273 174 1HA GLY 23 HA2 GLY 23 1.685 8.592 1.978 175 2HA GLY 23 HA1 GLY 23 3.448 8.736 2.177 176 H GLU 24 HN GLU 24 4.328 6.489 0.740 177 HA GLU 24 HA GLU 24 4.020 7.440 -1.904 178 1HB GLU 24 HB2 GLU 24 6.051 6.229 -1.012 179 2HB GLU 24 HB1 GLU 24 5.113 4.737 -1.033 180 1HG GLU 24 HG2 GLU 24 6.413 4.858 -3.078 181 2HG GLU 24 HG1 GLU 24 4.713 5.089 -3.484 182 H LEU 25 HN LEU 25 2.581 4.697 -0.192 183 HA LEU 25 HA LEU 25 1.311 3.566 -2.449 184 1HB LEU 25 HB2 LEU 25 0.583 3.431 0.475 185 2HB LEU 25 HB1 LEU 25 -0.250 2.512 -0.775 186 HG LEU 25 HG LEU 25 2.731 2.355 -0.246 187 1HD1 LEU 25 HD11 LEU 25 1.354 1.509 1.645 188 2HD1 LEU 25 HD12 LEU 25 2.234 0.211 0.840 189 3HD1 LEU 25 HD13 LEU 25 0.514 0.437 0.528 190 1HD2 LEU 25 HD21 LEU 25 2.478 1.581 -2.448 191 2HD2 LEU 25 HD22 LEU 25 0.846 0.977 -2.155 192 3HD2 LEU 25 HD23 LEU 25 2.241 0.091 -1.543 193 H SER 26 HN SER 26 0.186 5.998 -0.151 194 HA SER 26 HA SER 26 -2.484 6.133 -1.058 195 1HB SER 26 HB2 SER 26 -2.567 8.276 0.099 196 2HB SER 26 HB1 SER 26 -1.681 7.104 1.070 197 HG SER 26 HG SER 26 -0.840 9.429 -0.088 198 H ARG 27 HN ARG 27 0.386 8.056 -2.009 199 HA ARG 27 HA ARG 27 -0.971 9.762 -3.804 200 1HB ARG 27 HB2 ARG 27 1.892 8.792 -3.736 201 2HB ARG 27 HB1 ARG 27 1.305 10.013 -4.866 202 1HG ARG 27 HG2 ARG 27 0.563 11.414 -2.969 203 2HG ARG 27 HG1 ARG 27 1.163 10.198 -1.840 204 1HD ARG 27 HD2 ARG 27 3.440 10.487 -2.715 205 2HD ARG 27 HD1 ARG 27 2.854 11.676 -3.876 206 HE ARG 27 HE ARG 27 3.211 12.075 -0.999 207 1HH1 ARG 27 HH21 ARG 27 3.368 13.580 -3.956 208 2HH1 ARG 27 HH22 ARG 27 2.610 15.061 -3.474 209 1HH2 ARG 27 HH11 ARG 27 1.600 13.849 -0.388 210 2HH2 ARG 27 HH12 ARG 27 1.609 15.213 -1.456 211 H ARG 28 HN ARG 28 0.559 6.587 -4.324 212 HA ARG 28 HA ARG 28 0.164 6.477 -7.116 213 1HB ARG 28 HB2 ARG 28 0.395 4.297 -5.040 214 2HB ARG 28 HB1 ARG 28 0.344 3.992 -6.779 215 1HG ARG 28 HG2 ARG 28 2.298 5.468 -7.096 216 2HG ARG 28 HG1 ARG 28 2.358 5.762 -5.361 217 1HD ARG 28 HD2 ARG 28 3.956 4.059 -5.698 218 2HD ARG 28 HD1 ARG 28 2.533 3.196 -5.125 219 HE ARG 28 HE ARG 28 2.439 2.144 -7.186 220 1HH1 ARG 28 HH21 ARG 28 4.175 5.127 -7.419 221 2HH1 ARG 28 HH22 ARG 28 4.689 4.863 -9.052 222 1HH2 ARG 28 HH11 ARG 28 3.147 1.770 -9.319 223 2HH2 ARG 28 HH12 ARG 28 4.108 2.963 -10.126 224 H ILE 29 HN ILE 29 -1.863 5.563 -4.405 225 HA ILE 29 HA ILE 29 -3.932 4.331 -5.906 226 HB ILE 29 HB ILE 29 -3.899 5.598 -3.170 227 1HG1 ILE 29 HG12 ILE 29 -2.599 3.423 -3.747 228 2HG1 ILE 29 HG11 ILE 29 -3.639 3.413 -2.330 229 1HG2 ILE 29 HG21 ILE 29 -6.133 4.205 -4.646 230 2HG2 ILE 29 HG22 ILE 29 -6.171 5.764 -3.823 231 3HG2 ILE 29 HG23 ILE 29 -6.077 4.273 -2.884 232 1HD1 ILE 29 HD11 ILE 29 -4.390 2.305 -5.066 233 2HD1 ILE 29 HD12 ILE 29 -5.405 2.266 -3.631 234 3HD1 ILE 29 HD13 ILE 29 -3.906 1.354 -3.671 235 H GLN 30 HN GLN 30 -3.481 7.639 -4.757 236 HA GLN 30 HA GLN 30 -5.999 8.659 -5.666 237 1HB GLN 30 HB2 GLN 30 -3.347 10.012 -5.102 238 2HB GLN 30 HB1 GLN 30 -4.771 10.901 -5.635 239 1HG GLN 30 HG2 GLN 30 -6.014 10.204 -3.665 240 2HG GLN 30 HG1 GLN 30 -4.703 9.143 -3.156 241 1HE2 GLN 30 HE21 GLN 30 -5.657 11.276 -1.484 242 2HE2 GLN 30 HE22 GLN 30 -4.420 12.431 -1.349 243 H TYR 31 HN TYR 31 -2.850 8.419 -7.386 244 HA TYR 31 HA TYR 31 -3.846 9.822 -9.650 245 1HB TYR 31 HB2 TYR 31 -1.508 7.956 -9.256 246 2HB TYR 31 HB1 TYR 31 -1.937 8.549 -10.858 247 HD1 TYR 31 HD1 TYR 31 -2.236 11.149 -11.113 248 HD2 TYR 31 HD2 TYR 31 -0.134 9.272 -7.866 249 HE1 TYR 31 HE1 TYR 31 -1.061 13.277 -10.639 250 HE2 TYR 31 HE2 TYR 31 1.035 11.404 -7.393 251 HH TYR 31 HH TYR 31 1.655 13.479 -8.673 252 H ALA 32 HN ALA 32 -3.858 6.409 -8.729 253 HA ALA 32 HA ALA 32 -4.803 5.451 -11.234 254 1HB ALA 32 HB1 ALA 32 -4.809 4.260 -8.464 255 2HB ALA 32 HB2 ALA 32 -3.707 3.909 -9.795 256 3HB ALA 32 HB3 ALA 32 -5.391 3.394 -9.886 257 H PHE 33 HN PHE 33 -6.384 6.452 -8.254 258 HA PHE 33 HA PHE 33 -9.053 6.100 -9.524 259 1HB PHE 33 HB2 PHE 33 -8.238 5.909 -6.622 260 2HB PHE 33 HB1 PHE 33 -9.902 5.872 -7.205 261 HD1 PHE 33 HD1 PHE 33 -10.679 4.018 -8.683 262 HD2 PHE 33 HD2 PHE 33 -6.781 4.013 -6.881 263 HE1 PHE 33 HE1 PHE 33 -10.456 1.595 -9.168 264 HE2 PHE 33 HE2 PHE 33 -6.557 1.591 -7.364 265 HZ PHE 33 HZ PHE 33 -8.395 0.381 -8.508 266 HA PRO 34 HA PRO 34 -8.486 10.611 -8.755 267 1HB PRO 34 HB2 PRO 34 -10.056 11.141 -11.133 268 2HB PRO 34 HB1 PRO 34 -8.336 11.446 -10.854 269 1HG PRO 34 HG2 PRO 34 -9.402 9.525 -12.576 270 2HG PRO 34 HG1 PRO 34 -7.729 9.595 -12.004 271 1HD PRO 34 HD2 PRO 34 -9.931 7.797 -11.135 272 2HD PRO 34 HD1 PRO 34 -8.173 7.554 -11.061 273 H ASP 35 HN ASP 35 -11.309 8.744 -9.615 274 HA ASP 35 HA ASP 35 -13.216 10.736 -8.691 275 1HB ASP 35 HB2 ASP 35 -13.488 8.048 -10.014 276 2HB ASP 35 HB1 ASP 35 -14.874 8.988 -9.466 277 H ASN 36 HN ASN 36 -11.588 8.088 -7.144 278 HA ASN 36 HA ASN 36 -13.819 7.897 -5.177 279 1HB ASN 36 HB2 ASN 36 -11.901 5.755 -6.040 280 2HB ASN 36 HB1 ASN 36 -13.097 5.600 -4.757 281 1HD2 ASN 36 HD21 ASN 36 -12.760 4.538 -7.758 282 2HD2 ASN 36 HD22 ASN 36 -14.336 4.718 -8.362 283 H GLU 37 HN GLU 37 -13.224 8.414 -2.981 284 HA GLU 37 HA GLU 37 -10.671 9.321 -2.284 285 1HB GLU 37 HB2 GLU 37 -12.927 8.190 -0.622 286 2HB GLU 37 HB1 GLU 37 -11.596 9.171 -0.022 287 1HG GLU 37 HG2 GLU 37 -12.362 11.072 -1.447 288 2HG GLU 37 HG1 GLU 37 -13.690 10.069 -2.039 289 H GLY 38 HN GLY 38 -8.893 8.076 -1.877 290 1HA GLY 38 HA2 GLY 38 -9.243 5.197 -1.120 291 2HA GLY 38 HA1 GLY 38 -7.888 5.712 -1.881 292 H HIS 39 HN HIS 39 -8.740 4.747 1.128 293 HA HIS 39 HA HIS 39 -6.876 6.636 2.431 294 1HB HIS 39 HB2 HIS 39 -9.167 6.650 3.377 295 2HB HIS 39 HB1 HIS 39 -9.047 4.918 3.678 296 HD1 HIS 39 HD1 HIS 39 -7.087 8.080 4.565 297 HD2 HIS 39 HD2 HIS 39 -8.042 4.359 6.186 298 HE1 HIS 39 HE1 HIS 39 -6.117 8.047 6.906 299 H VAL 40 HN VAL 40 -4.925 5.652 2.934 300 HA VAL 40 HA VAL 40 -4.821 2.707 2.959 301 HB VAL 40 HB VAL 40 -2.660 4.721 2.326 302 1HG1 VAL 40 HG11 VAL 40 -2.764 1.705 2.415 303 2HG1 VAL 40 HG12 VAL 40 -1.587 2.785 3.161 304 3HG1 VAL 40 HG13 VAL 40 -1.589 2.556 1.414 305 1HG2 VAL 40 HG21 VAL 40 -4.229 2.853 0.515 306 2HG2 VAL 40 HG22 VAL 40 -2.979 3.989 0.009 307 3HG2 VAL 40 HG23 VAL 40 -4.514 4.590 0.644 308 H SER 41 HN SER 41 -4.202 1.721 4.743 309 HA SER 41 HA SER 41 -2.761 3.262 6.825 310 1HB SER 41 HB2 SER 41 -5.030 2.977 7.641 311 2HB SER 41 HB1 SER 41 -5.013 1.266 7.227 312 HG SER 41 HG SER 41 -4.586 1.736 9.472 313 H VAL 42 HN VAL 42 -1.094 2.283 7.845 314 HA VAL 42 HA VAL 42 -0.517 -0.520 7.122 315 HB VAL 42 HB VAL 42 1.516 1.735 7.186 316 1HG1 VAL 42 HG11 VAL 42 1.762 -1.230 6.619 317 2HG1 VAL 42 HG12 VAL 42 2.508 -0.332 7.940 318 3HG1 VAL 42 HG13 VAL 42 3.037 -0.061 6.280 319 1HG2 VAL 42 HG21 VAL 42 0.848 0.105 4.737 320 2HG2 VAL 42 HG22 VAL 42 1.577 1.708 4.841 321 3HG2 VAL 42 HG23 VAL 42 -0.143 1.501 5.154 322 H ARG 43 HN ARG 43 -0.103 -1.775 8.791 323 HA ARG 43 HA ARG 43 1.079 -0.612 11.197 324 1HB ARG 43 HB2 ARG 43 -1.487 -2.222 11.346 325 2HB ARG 43 HB1 ARG 43 -0.653 -1.425 12.681 326 1HG ARG 43 HG2 ARG 43 -1.022 0.770 11.495 327 2HG ARG 43 HG1 ARG 43 -2.026 -0.100 10.332 328 1HD ARG 43 HD2 ARG 43 -2.501 0.018 13.321 329 2HD ARG 43 HD1 ARG 43 -3.406 0.913 12.104 330 HE ARG 43 HE ARG 43 -3.546 -1.786 11.399 331 1HH1 ARG 43 HH11 ARG 43 -4.556 0.378 13.900 332 2HH1 ARG 43 HH12 ARG 43 -5.904 -0.594 14.387 333 1HH2 ARG 43 HH21 ARG 43 -5.270 -3.098 12.074 334 2HH2 ARG 43 HH22 ARG 43 -6.309 -2.564 13.353 335 H TYR 44 HN TYR 44 1.799 -2.288 12.736 336 HA TYR 44 HA TYR 44 2.735 -4.682 11.328 337 1HB TYR 44 HB2 TYR 44 3.203 -3.675 14.153 338 2HB TYR 44 HB1 TYR 44 3.883 -5.162 13.507 339 HD1 TYR 44 HD1 TYR 44 5.135 -4.863 11.148 340 HD2 TYR 44 HD2 TYR 44 4.519 -1.751 14.048 341 HE1 TYR 44 HE1 TYR 44 7.057 -3.606 10.213 342 HE2 TYR 44 HE2 TYR 44 6.433 -0.496 13.110 343 HH TYR 44 HH TYR 44 8.241 -0.651 11.750 344 H ALA 45 HN ALA 45 2.111 -6.724 11.670 345 HA ALA 45 HA ALA 45 0.095 -7.292 13.727 346 1HB ALA 45 HB1 ALA 45 -1.002 -6.722 11.478 347 2HB ALA 45 HB2 ALA 45 -1.427 -8.276 12.195 348 3HB ALA 45 HB3 ALA 45 -0.265 -8.204 10.870 349 H ALA 46 HN ALA 46 -0.229 -9.739 13.862 350 HA ALA 46 HA ALA 46 2.297 -10.963 14.140 351 1HB ALA 46 HB1 ALA 46 1.040 -13.063 14.529 352 2HB ALA 46 HB2 ALA 46 -0.431 -12.284 13.949 353 3HB ALA 46 HB3 ALA 46 0.336 -11.725 15.435 354 H ALA 47 HN ALA 47 0.137 -10.739 11.395 355 HA ALA 47 HA ALA 47 2.152 -12.231 9.836 356 1HB ALA 47 HB1 ALA 47 0.522 -13.590 8.759 357 2HB ALA 47 HB2 ALA 47 -0.810 -12.689 9.483 358 3HB ALA 47 HB3 ALA 47 0.210 -13.718 10.490 359 H ASN 48 HN ASN 48 2.213 -11.813 7.609 360 HA ASN 48 HA ASN 48 1.545 -9.119 6.829 361 1HB ASN 48 HB2 ASN 48 3.523 -10.453 5.976 362 2HB ASN 48 HB1 ASN 48 2.381 -11.443 5.069 363 1HD2 ASN 48 HD21 ASN 48 2.533 -10.782 2.925 364 2HD2 ASN 48 HD22 ASN 48 2.523 -9.166 2.406 365 H ASN 49 HN ASN 49 -0.414 -8.475 6.037 366 HA ASN 49 HA ASN 49 -2.043 -10.323 4.469 367 1HB ASN 49 HB2 ASN 49 -3.073 -9.073 7.028 368 2HB ASN 49 HB1 ASN 49 -4.050 -9.941 5.850 369 1HD2 ASN 49 HD21 ASN 49 -2.609 -12.167 5.230 370 2HD2 ASN 49 HD22 ASN 49 -2.257 -13.080 6.616 371 H LEU 50 HN LEU 50 -3.551 -9.276 3.148 372 HA LEU 50 HA LEU 50 -3.483 -6.315 3.127 373 1HB LEU 50 HB2 LEU 50 -2.102 -7.254 1.281 374 2HB LEU 50 HB1 LEU 50 -3.483 -8.209 0.749 375 HG LEU 50 HG LEU 50 -4.771 -6.099 0.385 376 1HD1 LEU 50 HD11 LEU 50 -3.206 -4.003 0.234 377 2HD1 LEU 50 HD12 LEU 50 -2.220 -4.888 1.398 378 3HD1 LEU 50 HD13 LEU 50 -3.893 -4.480 1.785 379 1HD2 LEU 50 HD21 LEU 50 -3.660 -7.054 -1.542 380 2HD2 LEU 50 HD22 LEU 50 -2.110 -6.369 -1.050 381 3HD2 LEU 50 HD23 LEU 50 -3.409 -5.310 -1.596 382 H SER 51 HN SER 51 -5.563 -5.554 3.428 383 HA SER 51 HA SER 51 -7.819 -7.294 2.579 384 1HB SER 51 HB2 SER 51 -8.984 -5.973 4.531 385 2HB SER 51 HB1 SER 51 -7.972 -7.367 4.895 386 HG SER 51 HG SER 51 -6.381 -6.057 5.563 387 H VAL 52 HN VAL 52 -9.247 -6.313 1.203 388 HA VAL 52 HA VAL 52 -9.215 -3.367 0.996 389 HB VAL 52 HB VAL 52 -9.571 -5.342 -1.275 390 1HG1 VAL 52 HG11 VAL 52 -10.913 -3.356 -1.627 391 2HG1 VAL 52 HG12 VAL 52 -9.478 -3.230 -2.645 392 3HG1 VAL 52 HG13 VAL 52 -9.576 -2.314 -1.140 393 1HG2 VAL 52 HG21 VAL 52 -7.429 -4.279 -2.073 394 2HG2 VAL 52 HG22 VAL 52 -7.240 -5.236 -0.604 395 3HG2 VAL 52 HG23 VAL 52 -7.304 -3.476 -0.508 396 H ILE 53 HN ILE 53 -11.192 -2.479 1.390 397 HA ILE 53 HA ILE 53 -13.597 -4.198 1.075 398 HB ILE 53 HB ILE 53 -13.097 -2.100 3.201 399 1HG1 ILE 53 HG12 ILE 53 -13.412 -5.100 3.538 400 2HG1 ILE 53 HG11 ILE 53 -11.839 -4.312 3.427 401 1HG2 ILE 53 HG21 ILE 53 -15.423 -2.111 2.749 402 2HG2 ILE 53 HG22 ILE 53 -15.250 -3.218 4.110 403 3HG2 ILE 53 HG23 ILE 53 -15.451 -3.852 2.477 404 1HD1 ILE 53 HD11 ILE 53 -13.830 -3.242 5.402 405 2HD1 ILE 53 HD12 ILE 53 -12.067 -3.259 5.477 406 3HD1 ILE 53 HD13 ILE 53 -12.977 -4.737 5.782 407 H GLY 54 HN GLY 54 -15.169 -3.410 -0.171 408 1HA GLY 54 HA2 GLY 54 -16.624 -1.734 -1.001 409 2HA GLY 54 HA1 GLY 54 -15.441 -0.509 -0.541 410 H ALA 55 HN ALA 55 -14.097 -3.205 -2.169 411 HA ALA 55 HA ALA 55 -14.023 -1.663 -4.707 412 1HB ALA 55 HB1 ALA 55 -11.738 -2.060 -4.936 413 2HB ALA 55 HB2 ALA 55 -11.768 -3.469 -3.873 414 3HB ALA 55 HB3 ALA 55 -11.882 -1.849 -3.191 415 H THR 56 HN THR 56 -13.542 -2.881 -6.610 416 HA THR 56 HA THR 56 -15.010 -5.438 -6.865 417 HB THR 56 HB THR 56 -14.799 -4.934 -9.223 418 HG1 THR 56 HG1 THR 56 -13.296 -3.644 -9.855 419 1HG2 THR 56 HG21 THR 56 -16.100 -2.817 -9.278 420 2HG2 THR 56 HG22 THR 56 -15.692 -2.545 -7.584 421 3HG2 THR 56 HG23 THR 56 -16.688 -3.929 -8.042 422 H LYS 57 HN LYS 57 -14.093 -7.159 -7.979 423 HA LYS 57 HA LYS 57 -11.605 -8.004 -7.076 424 1HB LYS 57 HB2 LYS 57 -13.124 -8.908 -9.550 425 2HB LYS 57 HB1 LYS 57 -11.834 -9.809 -8.765 426 1HG LYS 57 HG2 LYS 57 -13.201 -9.996 -6.706 427 2HG LYS 57 HG1 LYS 57 -14.490 -9.066 -7.478 428 1HD LYS 57 HD2 LYS 57 -14.704 -10.807 -9.210 429 2HD LYS 57 HD1 LYS 57 -13.405 -11.729 -8.451 430 1HE LYS 57 HE2 LYS 57 -14.731 -11.966 -6.405 431 2HE LYS 57 HE1 LYS 57 -16.013 -10.972 -7.096 432 1HZ LYS 57 HZ1 LYS 57 -16.754 -13.082 -7.541 433 2HZ LYS 57 HZ2 LYS 57 -15.196 -13.707 -7.801 434 3HZ LYS 57 HZ3 LYS 57 -15.929 -12.726 -8.979 435 H GLU 58 HN GLU 58 -12.375 -6.418 -10.240 436 HA GLU 58 HA GLU 58 -9.749 -6.779 -11.272 437 1HB GLU 58 HB2 GLU 58 -11.972 -4.846 -11.950 438 2HB GLU 58 HB1 GLU 58 -10.446 -4.921 -12.832 439 1HG GLU 58 HG2 GLU 58 -12.010 -6.300 -14.030 440 2HG GLU 58 HG1 GLU 58 -10.895 -7.386 -13.207 441 H ASP 59 HN ASP 59 -11.280 -4.237 -9.342 442 HA ASP 59 HA ASP 59 -9.165 -2.370 -9.519 443 1HB ASP 59 HB2 ASP 59 -11.275 -2.839 -7.397 444 2HB ASP 59 HB1 ASP 59 -10.134 -1.495 -7.341 445 H LYS 60 HN LYS 60 -9.934 -4.986 -7.295 446 HA LYS 60 HA LYS 60 -7.749 -4.593 -5.532 447 1HB LYS 60 HB2 LYS 60 -9.734 -5.982 -4.947 448 2HB LYS 60 HB1 LYS 60 -9.220 -7.176 -6.138 449 1HG LYS 60 HG2 LYS 60 -7.103 -7.502 -4.906 450 2HG LYS 60 HG1 LYS 60 -7.615 -6.304 -3.715 451 1HD LYS 60 HD2 LYS 60 -9.557 -7.701 -3.132 452 2HD LYS 60 HD1 LYS 60 -9.074 -8.887 -4.346 453 1HE LYS 60 HE2 LYS 60 -7.039 -9.389 -3.158 454 2HE LYS 60 HE1 LYS 60 -7.302 -8.051 -2.039 455 1HZ LYS 60 HZ1 LYS 60 -9.317 -9.152 -1.267 456 2HZ LYS 60 HZ2 LYS 60 -7.951 -10.138 -1.043 457 3HZ LYS 60 HZ3 LYS 60 -9.028 -10.450 -2.320 458 H GLN 61 HN GLN 61 -7.929 -6.565 -8.531 459 HA GLN 61 HA GLN 61 -5.347 -7.714 -8.126 460 1HB GLN 61 HB2 GLN 61 -6.960 -7.186 -10.639 461 2HB GLN 61 HB1 GLN 61 -5.419 -8.045 -10.632 462 1HG GLN 61 HG2 GLN 61 -6.344 -9.711 -9.074 463 2HG GLN 61 HG1 GLN 61 -7.887 -8.860 -9.070 464 1HE2 GLN 61 HE21 GLN 61 -7.634 -11.594 -9.966 465 2HE2 GLN 61 HE22 GLN 61 -7.978 -11.628 -11.627 466 H ARG 62 HN ARG 62 -6.482 -4.734 -9.758 467 HA ARG 62 HA ARG 62 -3.965 -3.970 -10.742 468 1HB ARG 62 HB2 ARG 62 -6.028 -2.870 -11.500 469 2HB ARG 62 HB1 ARG 62 -6.279 -2.207 -9.885 470 1HG ARG 62 HG2 ARG 62 -4.241 -0.890 -10.047 471 2HG ARG 62 HG1 ARG 62 -3.829 -1.638 -11.589 472 1HD ARG 62 HD2 ARG 62 -6.330 -0.010 -11.092 473 2HD ARG 62 HD1 ARG 62 -4.863 0.618 -11.842 474 HE ARG 62 HE ARG 62 -5.407 -1.526 -13.390 475 1HH1 ARG 62 HH21 ARG 62 -6.076 1.466 -13.996 476 2HH1 ARG 62 HH22 ARG 62 -7.706 1.305 -14.559 477 1HH2 ARG 62 HH11 ARG 62 -8.081 -1.921 -13.342 478 2HH2 ARG 62 HH12 ARG 62 -8.843 -0.617 -14.188 479 H ILE 63 HN ILE 63 -5.572 -3.240 -7.689 480 HA ILE 63 HA ILE 63 -3.514 -1.605 -6.682 481 HB ILE 63 HB ILE 63 -5.581 -3.275 -5.290 482 1HG1 ILE 63 HG12 ILE 63 -5.312 -0.272 -5.498 483 2HG1 ILE 63 HG11 ILE 63 -6.238 -1.235 -6.648 484 1HG2 ILE 63 HG21 ILE 63 -3.870 -3.132 -3.659 485 2HG2 ILE 63 HG22 ILE 63 -4.954 -1.796 -3.275 486 3HG2 ILE 63 HG23 ILE 63 -3.446 -1.488 -4.136 487 1HD1 ILE 63 HD11 ILE 63 -6.721 -1.101 -3.656 488 2HD1 ILE 63 HD12 ILE 63 -7.624 -2.108 -4.787 489 3HD1 ILE 63 HD13 ILE 63 -7.721 -0.351 -4.899 490 H SER 64 HN SER 64 -3.960 -5.101 -6.514 491 HA SER 64 HA SER 64 -1.684 -5.624 -4.902 492 1HB SER 64 HB2 SER 64 -2.931 -7.282 -7.115 493 2HB SER 64 HB1 SER 64 -1.722 -7.876 -5.979 494 HG SER 64 HG SER 64 -4.263 -6.789 -5.304 495 H GLU 65 HN GLU 65 -2.102 -5.192 -8.475 496 HA GLU 65 HA GLU 65 0.598 -5.719 -9.100 497 1HB GLU 65 HB2 GLU 65 -1.507 -4.097 -10.551 498 2HB GLU 65 HB1 GLU 65 0.104 -4.397 -11.204 499 1HG GLU 65 HG2 GLU 65 -0.284 -6.827 -11.056 500 2HG GLU 65 HG1 GLU 65 -1.895 -6.532 -10.403 501 H ILE 66 HN ILE 66 -1.086 -2.692 -8.308 502 HA ILE 66 HA ILE 66 1.099 -0.978 -8.755 503 HB ILE 66 HB ILE 66 -1.223 -0.726 -6.829 504 1HG1 ILE 66 HG12 ILE 66 -0.659 0.616 -9.494 505 2HG1 ILE 66 HG11 ILE 66 -1.675 -0.814 -9.314 506 1HG2 ILE 66 HG21 ILE 66 0.538 0.716 -6.001 507 2HG2 ILE 66 HG22 ILE 66 -0.590 1.736 -6.886 508 3HG2 ILE 66 HG23 ILE 66 0.931 1.255 -7.633 509 1HD1 ILE 66 HD11 ILE 66 -2.951 1.365 -9.360 510 2HD1 ILE 66 HD12 ILE 66 -2.171 1.786 -7.838 511 3HD1 ILE 66 HD13 ILE 66 -3.241 0.388 -7.921 512 H LEU 67 HN LEU 67 0.085 -2.697 -5.838 513 HA LEU 67 HA LEU 67 2.092 -1.689 -4.138 514 1HB LEU 67 HB2 LEU 67 0.281 -2.872 -3.106 515 2HB LEU 67 HB1 LEU 67 0.531 -4.285 -4.121 516 HG LEU 67 HG LEU 67 2.761 -4.645 -2.991 517 1HD1 LEU 67 HD11 LEU 67 2.933 -3.429 -0.714 518 2HD1 LEU 67 HD12 LEU 67 1.799 -2.261 -1.389 519 3HD1 LEU 67 HD13 LEU 67 3.373 -2.507 -2.148 520 1HD2 LEU 67 HD21 LEU 67 0.623 -5.755 -2.269 521 2HD2 LEU 67 HD22 LEU 67 0.425 -4.483 -1.063 522 3HD2 LEU 67 HD23 LEU 67 1.807 -5.578 -0.973 523 H GLN 68 HN GLN 68 2.028 -4.479 -6.324 524 HA GLN 68 HA GLN 68 4.604 -5.433 -5.615 525 1HB GLN 68 HB2 GLN 68 3.008 -5.720 -8.168 526 2HB GLN 68 HB1 GLN 68 4.561 -6.513 -7.898 527 1HG GLN 68 HG2 GLN 68 2.180 -6.814 -6.045 528 2HG GLN 68 HG1 GLN 68 2.559 -7.948 -7.341 529 1HE2 GLN 68 HE21 GLN 68 2.593 -8.568 -4.450 530 2HE2 GLN 68 HE22 GLN 68 4.186 -9.016 -4.075 531 H GLU 69 HN GLU 69 3.640 -3.244 -8.314 532 HA GLU 69 HA GLU 69 6.248 -2.837 -9.234 533 1HB GLU 69 HB2 GLU 69 3.817 -1.047 -9.374 534 2HB GLU 69 HB1 GLU 69 5.312 -0.762 -10.267 535 1HG GLU 69 HG2 GLU 69 5.087 -2.969 -11.349 536 2HG GLU 69 HG1 GLU 69 3.591 -3.252 -10.461 537 H THR 70 HN THR 70 4.431 -0.958 -6.817 538 HA THR 70 HA THR 70 6.312 1.094 -6.457 539 HB THR 70 HB THR 70 4.504 -0.145 -4.409 540 HG1 THR 70 HG1 THR 70 4.163 1.775 -6.414 541 1HG2 THR 70 HG21 THR 70 6.134 1.222 -3.304 542 2HG2 THR 70 HG22 THR 70 4.651 2.170 -3.400 543 3HG2 THR 70 HG23 THR 70 5.973 2.487 -4.522 544 H TRP 71 HN TRP 71 5.844 -1.924 -4.823 545 HA TRP 71 HA TRP 71 7.908 -1.797 -3.001 546 1HB TRP 71 HB2 TRP 71 5.975 -3.290 -2.924 547 2HB TRP 71 HB1 TRP 71 6.609 -4.165 -4.305 548 HD1 TRP 71 HD1 TRP 71 7.417 -6.395 -3.471 549 HE1 TRP 71 HE1 TRP 71 8.852 -7.253 -1.519 550 HE3 TRP 71 HE3 TRP 71 8.097 -2.038 -0.829 551 HZ2 TRP 71 HZ2 TRP 71 10.094 -6.262 0.843 552 HZ3 TRP 71 HZ3 TRP 71 9.394 -2.050 1.263 553 HH2 TRP 71 HH2 TRP 71 10.387 -4.153 2.113 554 H GLU 72 HN GLU 72 7.901 -3.004 -6.295 555 HA GLU 72 HA GLU 72 10.603 -3.936 -6.190 556 1HB GLU 72 HB2 GLU 72 8.708 -3.483 -8.500 557 2HB GLU 72 HB1 GLU 72 10.338 -4.123 -8.704 558 1HG GLU 72 HG2 GLU 72 9.816 -5.986 -7.187 559 2HG GLU 72 HG1 GLU 72 8.192 -5.346 -6.944 560 H SER 73 HN SER 73 9.252 -0.783 -6.673 561 HA SER 73 HA SER 73 11.787 0.128 -7.917 562 1HB SER 73 HB2 SER 73 9.028 1.348 -7.836 563 2HB SER 73 HB1 SER 73 10.452 2.237 -8.372 564 HG SER 73 HG SER 73 9.547 -0.247 -9.417 565 H ALA 74 HN ALA 74 11.168 -0.483 -5.006 566 HA ALA 74 HA ALA 74 10.913 1.659 -3.385 567 1HB ALA 74 HB1 ALA 74 12.702 -0.729 -3.021 568 2HB ALA 74 HB2 ALA 74 10.985 -0.629 -2.628 569 3HB ALA 74 HB3 ALA 74 12.153 0.347 -1.735 570 H ASP 75 HN ASP 75 13.941 0.768 -5.000 571 HA ASP 75 HA ASP 75 15.622 2.406 -3.402 572 1HB ASP 75 HB2 ASP 75 17.260 2.132 -5.205 573 2HB ASP 75 HB1 ASP 75 16.498 0.600 -4.784 574 H ASP 76 HN ASP 76 13.405 3.257 -5.941 575 HA ASP 76 HA ASP 76 14.795 5.786 -6.533 576 1HB ASP 76 HB2 ASP 76 12.336 4.448 -7.665 577 2HB ASP 76 HB1 ASP 76 12.884 6.052 -8.153 578 H TRP 77 HN TRP 77 11.623 4.790 -5.189 579 HA TRP 77 HA TRP 77 11.023 7.610 -4.620 580 1HB TRP 77 HB2 TRP 77 8.838 6.971 -4.120 581 2HB TRP 77 HB1 TRP 77 9.310 5.994 -5.495 582 HD1 TRP 77 HD1 TRP 77 9.309 3.385 -5.185 583 HE1 TRP 77 HE1 TRP 77 8.708 1.814 -3.261 584 HE3 TRP 77 HE3 TRP 77 8.957 6.754 -1.262 585 HZ2 TRP 77 HZ2 TRP 77 8.166 1.915 -0.485 586 HZ3 TRP 77 HZ3 TRP 77 8.398 5.930 0.968 587 HH2 TRP 77 HH2 TRP 77 8.009 3.541 1.369 588 H PHE 78 HN PHE 78 12.340 4.941 -2.820 589 HA PHE 78 HA PHE 78 11.542 6.176 -0.273 590 1HB PHE 78 HB2 PHE 78 11.543 3.731 -0.348 591 2HB PHE 78 HB1 PHE 78 13.242 3.738 -0.807 592 HD1 PHE 78 HD1 PHE 78 11.110 5.401 1.841 593 HD2 PHE 78 HD2 PHE 78 14.755 3.267 0.952 594 HE1 PHE 78 HE1 PHE 78 11.774 5.514 4.219 595 HE2 PHE 78 HE2 PHE 78 15.393 3.388 3.335 596 HZ PHE 78 HZ PHE 78 13.907 4.506 4.969 597 H VAL 79 HN VAL 79 12.665 7.615 0.742 598 HA VAL 79 HA VAL 79 15.528 7.974 0.092 599 HB VAL 79 HB VAL 79 13.754 10.197 1.104 600 1HG1 VAL 79 HG11 VAL 79 16.208 10.521 0.904 601 2HG1 VAL 79 HG12 VAL 79 15.310 11.579 -0.182 602 3HG1 VAL 79 HG13 VAL 79 16.104 10.138 -0.814 603 1HG2 VAL 79 HG21 VAL 79 12.462 9.292 -0.755 604 2HG2 VAL 79 HG22 VAL 79 13.912 9.201 -1.761 605 3HG2 VAL 79 HG23 VAL 79 13.263 10.771 -1.294 606 H SER 80 HN SER 80 16.917 7.972 1.965 607 HA SER 80 HA SER 80 15.537 7.915 4.600 608 1HB SER 80 HB2 SER 80 17.350 6.393 5.320 609 2HB SER 80 HB1 SER 80 16.469 5.700 3.957 610 HG SER 80 HG SER 80 19.047 6.762 4.099 611 H GLU 81 HN GLU 81 16.333 9.157 6.166 612 HA GLU 81 HA GLU 81 17.703 11.488 5.666 613 1HB GLU 81 HB2 GLU 81 16.435 10.924 7.754 614 2HB GLU 81 HB1 GLU 81 17.817 9.960 8.274 615 1HG GLU 81 HG2 GLU 81 18.019 12.143 9.285 616 2HG GLU 81 HG1 GLU 81 19.250 12.019 8.031 Start of MODEL 9 1 1H MET 1 HT1 MET 1 -14.440 4.107 0.056 2 2H MET 1 HT2 MET 1 -14.082 4.115 -1.605 3 3H MET 1 HT3 MET 1 -13.011 4.833 -0.499 4 HA MET 1 HA MET 1 -13.660 1.965 -0.263 5 1HB MET 1 HB2 MET 1 -11.578 3.229 -2.061 6 2HB MET 1 HB1 MET 1 -11.643 1.515 -1.661 7 1HG MET 1 HG2 MET 1 -14.070 1.610 -2.567 8 2HG MET 1 HG1 MET 1 -13.582 3.137 -3.305 9 1HE MET 1 HE1 MET 1 -10.411 2.062 -5.325 10 2HE MET 1 HE2 MET 1 -10.253 2.024 -3.571 11 3HE MET 1 HE3 MET 1 -11.167 3.322 -4.342 12 H ARG 2 HN ARG 2 -12.236 0.975 1.195 13 HA ARG 2 HA ARG 2 -10.184 2.732 2.409 14 1HB ARG 2 HB2 ARG 2 -12.115 2.364 3.954 15 2HB ARG 2 HB1 ARG 2 -11.835 0.625 3.846 16 1HG ARG 2 HG2 ARG 2 -9.623 0.857 4.808 17 2HG ARG 2 HG1 ARG 2 -9.747 2.616 4.770 18 1HD ARG 2 HD2 ARG 2 -10.228 1.938 7.022 19 2HD ARG 2 HD1 ARG 2 -11.758 2.409 6.291 20 HE ARG 2 HE ARG 2 -11.389 -0.363 5.907 21 1HH1 ARG 2 HH21 ARG 2 -13.138 1.854 7.682 22 2HH1 ARG 2 HH22 ARG 2 -13.467 0.814 9.028 23 1HH2 ARG 2 HH11 ARG 2 -11.292 -1.673 7.981 24 2HH2 ARG 2 HH12 ARG 2 -12.420 -1.181 9.197 25 H ILE 3 HN ILE 3 -8.198 1.929 2.451 26 HA ILE 3 HA ILE 3 -7.786 -0.934 1.725 27 HB ILE 3 HB ILE 3 -6.098 1.496 1.106 28 1HG1 ILE 3 HG12 ILE 3 -6.572 0.443 -1.293 29 2HG1 ILE 3 HG11 ILE 3 -7.965 -0.269 -0.487 30 1HG2 ILE 3 HG21 ILE 3 -5.622 -1.466 0.761 31 2HG2 ILE 3 HG22 ILE 3 -4.575 -0.274 1.530 32 3HG2 ILE 3 HG23 ILE 3 -4.780 -0.265 -0.221 33 1HD1 ILE 3 HD11 ILE 3 -7.359 2.700 -0.385 34 2HD1 ILE 3 HD12 ILE 3 -8.860 1.888 0.053 35 3HD1 ILE 3 HD13 ILE 3 -8.364 1.969 -1.632 36 H GLU 4 HN GLU 4 -6.793 -2.104 3.288 37 HA GLU 4 HA GLU 4 -5.082 -0.673 5.263 38 1HB GLU 4 HB2 GLU 4 -6.947 -3.009 5.793 39 2HB GLU 4 HB1 GLU 4 -5.868 -2.267 6.976 40 1HG GLU 4 HG2 GLU 4 -7.025 -0.107 6.681 41 2HG GLU 4 HG1 GLU 4 -8.106 -0.846 5.502 42 H VAL 5 HN VAL 5 -3.093 -1.373 5.467 43 HA VAL 5 HA VAL 5 -2.382 -4.059 4.392 44 HB VAL 5 HB VAL 5 -0.590 -1.625 4.484 45 1HG1 VAL 5 HG11 VAL 5 -0.386 -4.217 2.921 46 2HG1 VAL 5 HG12 VAL 5 0.479 -3.894 4.422 47 3HG1 VAL 5 HG13 VAL 5 0.817 -2.931 2.985 48 1HG2 VAL 5 HG21 VAL 5 -2.467 -2.641 2.344 49 2HG2 VAL 5 HG22 VAL 5 -1.024 -1.727 1.918 50 3HG2 VAL 5 HG23 VAL 5 -2.261 -0.995 2.935 51 H THR 6 HN THR 6 -1.302 -5.426 5.663 52 HA THR 6 HA THR 6 -0.230 -4.426 8.248 53 HB THR 6 HB THR 6 -0.932 -6.453 9.295 54 HG1 THR 6 HG1 THR 6 -0.530 -7.581 7.124 55 1HG2 THR 6 HG21 THR 6 -3.353 -6.356 9.014 56 2HG2 THR 6 HG22 THR 6 -3.166 -5.565 7.448 57 3HG2 THR 6 HG23 THR 6 -2.694 -4.722 8.924 58 H ILE 7 HN ILE 7 1.773 -4.899 8.713 59 HA ILE 7 HA ILE 7 3.281 -6.770 6.978 60 HB ILE 7 HB ILE 7 3.972 -4.162 8.311 61 1HG1 ILE 7 HG12 ILE 7 4.466 -5.168 5.486 62 2HG1 ILE 7 HG11 ILE 7 3.020 -4.280 5.965 63 1HG2 ILE 7 HG21 ILE 7 5.807 -6.425 7.496 64 2HG2 ILE 7 HG22 ILE 7 5.906 -5.369 8.906 65 3HG2 ILE 7 HG23 ILE 7 6.362 -4.758 7.317 66 1HD1 ILE 7 HD11 ILE 7 4.222 -2.310 6.399 67 2HD1 ILE 7 HD12 ILE 7 5.005 -2.942 4.952 68 3HD1 ILE 7 HD13 ILE 7 5.763 -3.161 6.529 69 H ALA 8 HN ALA 8 4.288 -8.453 7.979 70 HA ALA 8 HA ALA 8 3.740 -9.059 10.682 71 1HB ALA 8 HB1 ALA 8 5.690 -10.184 8.674 72 2HB ALA 8 HB2 ALA 8 4.146 -10.866 9.185 73 3HB ALA 8 HB3 ALA 8 5.513 -10.849 10.297 74 H LYS 9 HN LYS 9 4.708 -8.619 12.418 75 HA LYS 9 HA LYS 9 6.662 -6.643 12.665 76 1HB LYS 9 HB2 LYS 9 5.052 -7.170 14.480 77 2HB LYS 9 HB1 LYS 9 5.832 -8.727 14.718 78 1HG LYS 9 HG2 LYS 9 7.937 -7.578 15.365 79 2HG LYS 9 HG1 LYS 9 7.148 -6.013 15.140 80 1HD LYS 9 HD2 LYS 9 5.539 -6.517 16.892 81 2HD LYS 9 HD1 LYS 9 6.198 -8.144 17.070 82 1HE LYS 9 HE2 LYS 9 8.406 -7.132 17.676 83 2HE LYS 9 HE1 LYS 9 7.645 -5.542 17.632 84 1HZ LYS 9 HZ1 LYS 9 7.746 -6.539 19.876 85 2HZ LYS 9 HZ2 LYS 9 6.720 -7.784 19.341 86 3HZ LYS 9 HZ3 LYS 9 6.166 -6.178 19.373 87 H THR 10 HN THR 10 7.031 -10.042 12.192 88 HA THR 10 HA THR 10 9.646 -10.391 13.214 89 HB THR 10 HB THR 10 9.708 -12.241 11.436 90 HG1 THR 10 HG1 THR 10 7.621 -12.663 10.556 91 1HG2 THR 10 HG21 THR 10 7.452 -12.109 13.456 92 2HG2 THR 10 HG22 THR 10 9.088 -12.701 13.743 93 3HG2 THR 10 HG23 THR 10 8.005 -13.587 12.670 94 H SER 11 HN SER 11 8.464 -8.472 10.673 95 HA SER 11 HA SER 11 11.168 -8.298 9.438 96 1HB SER 11 HB2 SER 11 9.350 -9.291 7.979 97 2HB SER 11 HB1 SER 11 8.547 -7.725 8.048 98 HG SER 11 HG SER 11 10.439 -8.447 6.415 99 HA PRO 12 HA PRO 12 10.085 -4.081 11.098 100 1HB PRO 12 HB2 PRO 12 12.764 -3.907 12.165 101 2HB PRO 12 HB1 PRO 12 11.249 -4.031 13.077 102 1HG PRO 12 HG2 PRO 12 13.205 -5.992 12.979 103 2HG PRO 12 HG1 PRO 12 11.513 -6.261 13.431 104 1HD PRO 12 HD2 PRO 12 12.884 -6.844 10.830 105 2HD PRO 12 HD1 PRO 12 11.567 -7.716 11.637 106 H LEU 13 HN LEU 13 10.210 -2.312 10.068 107 HA LEU 13 HA LEU 13 12.345 -2.016 8.035 108 1HB LEU 13 HB2 LEU 13 9.695 -0.561 8.134 109 2HB LEU 13 HB1 LEU 13 10.806 -0.685 6.770 110 HG LEU 13 HG LEU 13 9.223 -2.962 8.008 111 1HD1 LEU 13 HD11 LEU 13 8.023 -3.023 5.902 112 2HD1 LEU 13 HD12 LEU 13 9.058 -1.768 5.224 113 3HD1 LEU 13 HD13 LEU 13 7.941 -1.379 6.533 114 1HD2 LEU 13 HD21 LEU 13 10.168 -4.191 5.933 115 2HD2 LEU 13 HD22 LEU 13 11.259 -3.945 7.293 116 3HD2 LEU 13 HD23 LEU 13 11.369 -2.901 5.876 117 HA PRO 14 HA PRO 14 14.120 1.214 10.377 118 1HB PRO 14 HB2 PRO 14 14.227 3.249 8.295 119 2HB PRO 14 HB1 PRO 14 15.550 2.227 8.884 120 1HG PRO 14 HG2 PRO 14 13.913 1.934 6.471 121 2HG PRO 14 HG1 PRO 14 15.469 1.188 6.866 122 1HD PRO 14 HD2 PRO 14 13.072 -0.193 6.780 123 2HD PRO 14 HD1 PRO 14 14.476 -0.711 7.734 124 H ALA 15 HN ALA 15 13.678 2.994 11.502 125 HA ALA 15 HA ALA 15 11.047 3.591 12.145 126 1HB ALA 15 HB1 ALA 15 11.930 5.212 13.619 127 2HB ALA 15 HB2 ALA 15 13.366 5.443 12.622 128 3HB ALA 15 HB3 ALA 15 13.142 3.936 13.507 129 H GLY 16 HN GLY 16 10.856 4.001 9.425 130 1HA GLY 16 HA2 GLY 16 9.786 6.632 9.242 131 2HA GLY 16 HA1 GLY 16 11.323 6.583 8.432 132 H ALA 17 HN ALA 17 10.713 3.615 7.901 133 HA ALA 17 HA ALA 17 9.838 4.042 5.222 134 1HB ALA 17 HB1 ALA 17 11.359 2.298 5.326 135 2HB ALA 17 HB2 ALA 17 9.848 1.388 5.316 136 3HB ALA 17 HB3 ALA 17 10.695 1.680 6.836 137 H ILE 18 HN ILE 18 8.042 2.687 7.951 138 HA ILE 18 HA ILE 18 5.891 1.779 6.389 139 HB ILE 18 HB ILE 18 5.962 2.829 9.223 140 1HG1 ILE 18 HG12 ILE 18 7.244 0.667 8.385 141 2HG1 ILE 18 HG11 ILE 18 6.340 0.628 9.886 142 1HG2 ILE 18 HG21 ILE 18 3.688 3.025 8.587 143 2HG2 ILE 18 HG22 ILE 18 3.786 1.458 9.389 144 3HG2 ILE 18 HG23 ILE 18 3.743 1.545 7.628 145 1HD1 ILE 18 HD11 ILE 18 5.973 -1.334 8.296 146 2HD1 ILE 18 HD12 ILE 18 5.107 -0.203 7.259 147 3HD1 ILE 18 HD13 ILE 18 4.518 -0.532 8.886 148 H ASP 19 HN ASP 19 6.416 4.902 8.014 149 HA ASP 19 HA ASP 19 4.025 6.113 7.056 150 1HB ASP 19 HB2 ASP 19 6.663 7.334 7.936 151 2HB ASP 19 HB1 ASP 19 5.244 8.290 7.509 152 H ALA 20 HN ALA 20 7.245 5.804 5.636 153 HA ALA 20 HA ALA 20 6.647 7.507 3.467 154 1HB ALA 20 HB1 ALA 20 8.739 6.944 2.649 155 2HB ALA 20 HB2 ALA 20 8.570 5.241 3.074 156 3HB ALA 20 HB3 ALA 20 8.939 6.429 4.322 157 H LEU 21 HN LEU 21 6.267 4.016 3.931 158 HA LEU 21 HA LEU 21 5.513 3.319 1.343 159 1HB LEU 21 HB2 LEU 21 6.172 1.627 2.889 160 2HB LEU 21 HB1 LEU 21 4.959 2.127 4.062 161 HG LEU 21 HG LEU 21 3.184 1.387 2.540 162 1HD1 LEU 21 HD11 LEU 21 3.899 -0.045 0.560 163 2HD1 LEU 21 HD12 LEU 21 5.515 0.622 0.771 164 3HD1 LEU 21 HD13 LEU 21 4.167 1.687 0.368 165 1HD2 LEU 21 HD21 LEU 21 3.445 -0.942 2.925 166 2HD2 LEU 21 HD22 LEU 21 4.378 -0.161 4.201 167 3HD2 LEU 21 HD23 LEU 21 5.202 -0.842 2.797 168 H ALA 22 HN ALA 22 3.521 4.175 4.163 169 HA ALA 22 HA ALA 22 0.979 3.900 2.919 170 1HB ALA 22 HB1 ALA 22 0.107 4.947 4.828 171 2HB ALA 22 HB2 ALA 22 1.547 5.939 5.056 172 3HB ALA 22 HB3 ALA 22 1.592 4.219 5.442 173 H GLY 23 HN GLY 23 3.190 6.665 3.061 174 1HA GLY 23 HA2 GLY 23 1.384 8.487 1.769 175 2HA GLY 23 HA1 GLY 23 3.148 8.627 1.949 176 H GLU 24 HN GLU 24 3.960 6.329 0.470 177 HA GLU 24 HA GLU 24 3.568 7.283 -2.166 178 1HB GLU 24 HB2 GLU 24 4.873 4.816 -1.014 179 2HB GLU 24 HB1 GLU 24 4.573 4.898 -2.755 180 1HG GLU 24 HG2 GLU 24 6.055 7.019 -1.182 181 2HG GLU 24 HG1 GLU 24 6.816 5.713 -2.077 182 H LEU 25 HN LEU 25 2.060 4.642 -0.365 183 HA LEU 25 HA LEU 25 0.687 3.591 -2.580 184 1HB LEU 25 HB2 LEU 25 0.137 3.422 0.375 185 2HB LEU 25 HB1 LEU 25 -0.878 2.609 -0.814 186 HG LEU 25 HG LEU 25 2.127 2.235 -0.627 187 1HD1 LEU 25 HD11 LEU 25 1.562 0.049 0.442 188 2HD1 LEU 25 HD12 LEU 25 -0.126 0.555 0.512 189 3HD1 LEU 25 HD13 LEU 25 1.094 1.431 1.432 190 1HD2 LEU 25 HD21 LEU 25 -0.068 1.060 -2.322 191 2HD2 LEU 25 HD22 LEU 25 1.258 0.003 -1.839 192 3HD2 LEU 25 HD23 LEU 25 1.594 1.463 -2.758 193 H SER 26 HN SER 26 -0.311 6.033 -0.208 194 HA SER 26 HA SER 26 -2.982 6.275 -1.075 195 1HB SER 26 HB2 SER 26 -1.131 8.280 0.217 196 2HB SER 26 HB1 SER 26 -2.848 8.567 -0.052 197 HG SER 26 HG SER 26 -1.555 6.857 1.723 198 H ARG 27 HN ARG 27 -0.050 8.057 -2.120 199 HA ARG 27 HA ARG 27 -1.395 9.787 -3.916 200 1HB ARG 27 HB2 ARG 27 1.430 8.691 -3.934 201 2HB ARG 27 HB1 ARG 27 0.853 9.915 -5.065 202 1HG ARG 27 HG2 ARG 27 0.251 11.374 -3.151 203 2HG ARG 27 HG1 ARG 27 0.889 10.159 -2.044 204 1HD ARG 27 HD2 ARG 27 3.110 10.364 -3.080 205 2HD ARG 27 HD1 ARG 27 2.481 11.561 -4.210 206 HE ARG 27 HE ARG 27 2.671 13.136 -2.526 207 1HH1 ARG 27 HH11 ARG 27 4.785 11.646 -1.123 208 2HH1 ARG 27 HH12 ARG 27 4.136 11.420 0.466 209 1HH2 ARG 27 HH21 ARG 27 0.873 12.111 -0.484 210 2HH2 ARG 27 HH22 ARG 27 1.918 11.683 0.828 211 H ARG 28 HN ARG 28 -0.073 6.535 -4.309 212 HA ARG 28 HA ARG 28 -0.530 6.290 -7.082 213 1HB ARG 28 HB2 ARG 28 -0.397 4.241 -4.866 214 2HB ARG 28 HB1 ARG 28 -0.514 3.819 -6.571 215 1HG ARG 28 HG2 ARG 28 1.646 5.716 -5.668 216 2HG ARG 28 HG1 ARG 28 1.860 3.985 -5.422 217 1HD ARG 28 HD2 ARG 28 1.606 3.563 -7.804 218 2HD ARG 28 HD1 ARG 28 1.221 5.251 -8.107 219 HE ARG 28 HE ARG 28 3.491 5.749 -7.964 220 1HH1 ARG 28 HH11 ARG 28 3.419 2.558 -8.510 221 2HH1 ARG 28 HH12 ARG 28 4.819 2.118 -7.589 222 1HH2 ARG 28 HH21 ARG 28 5.067 5.189 -5.997 223 2HH2 ARG 28 HH22 ARG 28 5.753 3.608 -6.169 224 H ILE 29 HN ILE 29 -2.560 5.621 -4.275 225 HA ILE 29 HA ILE 29 -4.692 4.367 -5.642 226 HB ILE 29 HB ILE 29 -4.592 5.861 -3.020 227 1HG1 ILE 29 HG12 ILE 29 -3.325 3.601 -3.484 228 2HG1 ILE 29 HG11 ILE 29 -4.258 3.777 -2.004 229 1HG2 ILE 29 HG21 ILE 29 -6.879 5.966 -3.650 230 2HG2 ILE 29 HG22 ILE 29 -6.770 4.559 -2.594 231 3HG2 ILE 29 HG23 ILE 29 -6.851 4.345 -4.342 232 1HD1 ILE 29 HD11 ILE 29 -4.513 1.632 -3.569 233 2HD1 ILE 29 HD12 ILE 29 -5.661 2.667 -4.413 234 3HD1 ILE 29 HD13 ILE 29 -5.895 2.302 -2.704 235 H GLN 30 HN GLN 30 -4.207 7.712 -4.631 236 HA GLN 30 HA GLN 30 -6.699 8.725 -5.568 237 1HB GLN 30 HB2 GLN 30 -5.400 10.007 -3.983 238 2HB GLN 30 HB1 GLN 30 -4.029 10.072 -5.088 239 1HG GLN 30 HG2 GLN 30 -5.226 11.475 -6.625 240 2HG GLN 30 HG1 GLN 30 -6.747 11.223 -5.768 241 1HE2 GLN 30 HE21 GLN 30 -4.460 11.426 -3.373 242 2HE2 GLN 30 HE22 GLN 30 -4.537 13.090 -3.051 243 H TYR 31 HN TYR 31 -3.550 8.382 -7.254 244 HA TYR 31 HA TYR 31 -4.469 9.754 -9.552 245 1HB TYR 31 HB2 TYR 31 -2.063 9.390 -9.166 246 2HB TYR 31 HB1 TYR 31 -2.299 7.646 -9.289 247 HD1 TYR 31 HD1 TYR 31 -2.856 6.591 -11.437 248 HD2 TYR 31 HD2 TYR 31 -2.145 10.816 -11.135 249 HE1 TYR 31 HE1 TYR 31 -2.645 6.730 -13.903 250 HE2 TYR 31 HE2 TYR 31 -1.932 10.956 -13.603 251 HH TYR 31 HH TYR 31 -1.378 8.438 -15.546 252 H ALA 32 HN ALA 32 -4.544 6.352 -8.599 253 HA ALA 32 HA ALA 32 -5.523 5.399 -11.091 254 1HB ALA 32 HB1 ALA 32 -5.673 4.199 -8.323 255 2HB ALA 32 HB2 ALA 32 -4.422 3.909 -9.529 256 3HB ALA 32 HB3 ALA 32 -6.068 3.344 -9.814 257 H PHE 33 HN PHE 33 -7.050 6.491 -8.119 258 HA PHE 33 HA PHE 33 -9.739 6.190 -9.354 259 1HB PHE 33 HB2 PHE 33 -8.905 6.042 -6.457 260 2HB PHE 33 HB1 PHE 33 -10.566 5.984 -7.046 261 HD1 PHE 33 HD1 PHE 33 -11.338 4.112 -8.478 262 HD2 PHE 33 HD2 PHE 33 -7.422 4.155 -6.714 263 HE1 PHE 33 HE1 PHE 33 -11.090 1.693 -8.966 264 HE2 PHE 33 HE2 PHE 33 -7.175 1.736 -7.200 265 HZ PHE 33 HZ PHE 33 -9.011 0.506 -8.326 266 HA PRO 34 HA PRO 34 -9.037 10.698 -8.688 267 1HB PRO 34 HB2 PRO 34 -10.664 11.214 -11.031 268 2HB PRO 34 HB1 PRO 34 -8.930 11.483 -10.815 269 1HG PRO 34 HG2 PRO 34 -10.104 9.546 -12.453 270 2HG PRO 34 HG1 PRO 34 -8.408 9.600 -11.950 271 1HD PRO 34 HD2 PRO 34 -10.596 7.849 -10.966 272 2HD PRO 34 HD1 PRO 34 -8.837 7.595 -10.929 273 H ASP 35 HN ASP 35 -11.928 8.844 -9.251 274 HA ASP 35 HA ASP 35 -13.678 10.984 -8.255 275 1HB ASP 35 HB2 ASP 35 -15.505 9.574 -9.050 276 2HB ASP 35 HB1 ASP 35 -14.310 9.864 -10.312 277 H ASN 36 HN ASN 36 -12.076 8.330 -6.762 278 HA ASN 36 HA ASN 36 -14.290 8.127 -4.779 279 1HB ASN 36 HB2 ASN 36 -12.373 5.975 -5.632 280 2HB ASN 36 HB1 ASN 36 -13.572 5.824 -4.356 281 1HD2 ASN 36 HD21 ASN 36 -15.848 6.919 -5.362 282 2HD2 ASN 36 HD22 ASN 36 -16.310 6.166 -6.812 283 H GLU 37 HN GLU 37 -13.679 8.673 -2.597 284 HA GLU 37 HA GLU 37 -11.131 9.565 -1.918 285 1HB GLU 37 HB2 GLU 37 -13.196 10.185 -0.820 286 2HB GLU 37 HB1 GLU 37 -13.455 8.527 -0.301 287 1HG GLU 37 HG2 GLU 37 -11.401 8.639 1.086 288 2HG GLU 37 HG1 GLU 37 -11.140 10.309 0.572 289 H GLY 38 HN GLY 38 -9.340 8.315 -1.490 290 1HA GLY 38 HA2 GLY 38 -9.710 5.452 -0.696 291 2HA GLY 38 HA1 GLY 38 -8.367 5.931 -1.493 292 H HIS 39 HN HIS 39 -9.091 4.959 1.521 293 HA HIS 39 HA HIS 39 -7.156 6.819 2.763 294 1HB HIS 39 HB2 HIS 39 -9.365 5.158 4.017 295 2HB HIS 39 HB1 HIS 39 -8.162 6.066 4.935 296 HD1 HIS 39 HD1 HIS 39 -8.078 8.739 4.287 297 HD2 HIS 39 HD2 HIS 39 -11.568 6.676 3.321 298 HE1 HIS 39 HE1 HIS 39 -9.864 10.492 3.909 299 H VAL 40 HN VAL 40 -5.189 5.819 3.162 300 HA VAL 40 HA VAL 40 -5.106 2.880 3.173 301 HB VAL 40 HB VAL 40 -2.957 4.874 2.462 302 1HG1 VAL 40 HG11 VAL 40 -3.077 1.852 2.494 303 2HG1 VAL 40 HG12 VAL 40 -1.946 2.893 3.358 304 3HG1 VAL 40 HG13 VAL 40 -1.852 2.754 1.604 305 1HG2 VAL 40 HG21 VAL 40 -4.331 2.923 0.603 306 2HG2 VAL 40 HG22 VAL 40 -3.402 4.360 0.194 307 3HG2 VAL 40 HG23 VAL 40 -5.016 4.525 0.885 308 H SER 41 HN SER 41 -4.420 1.883 4.942 309 HA SER 41 HA SER 41 -2.905 3.421 6.975 310 1HB SER 41 HB2 SER 41 -5.139 3.153 7.878 311 2HB SER 41 HB1 SER 41 -5.154 1.442 7.458 312 HG SER 41 HG SER 41 -4.358 1.180 9.382 313 H VAL 42 HN VAL 42 -1.216 2.446 7.945 314 HA VAL 42 HA VAL 42 -0.662 -0.365 7.213 315 HB VAL 42 HB VAL 42 1.441 1.823 7.294 316 1HG1 VAL 42 HG11 VAL 42 2.353 -0.366 7.746 317 2HG1 VAL 42 HG12 VAL 42 2.779 0.061 6.089 318 3HG1 VAL 42 HG13 VAL 42 1.461 -1.069 6.396 319 1HG2 VAL 42 HG21 VAL 42 -0.177 2.158 5.420 320 2HG2 VAL 42 HG22 VAL 42 0.189 0.532 4.853 321 3HG2 VAL 42 HG23 VAL 42 1.446 1.765 4.856 322 H ARG 43 HN ARG 43 -0.176 -1.618 8.855 323 HA ARG 43 HA ARG 43 1.058 -0.488 11.241 324 1HB ARG 43 HB2 ARG 43 -0.697 -1.454 12.728 325 2HB ARG 43 HB1 ARG 43 -1.301 -0.152 11.702 326 1HG ARG 43 HG2 ARG 43 -2.111 -1.878 10.076 327 2HG ARG 43 HG1 ARG 43 -1.628 -3.130 11.223 328 1HD ARG 43 HD2 ARG 43 -4.018 -2.617 11.476 329 2HD ARG 43 HD1 ARG 43 -3.129 -2.144 12.922 330 HE ARG 43 HE ARG 43 -3.142 0.136 11.441 331 1HH1 ARG 43 HH21 ARG 43 -5.733 -1.273 10.373 332 2HH1 ARG 43 HH22 ARG 43 -6.928 -0.460 11.327 333 1HH2 ARG 43 HH11 ARG 43 -4.633 0.844 13.574 334 2HH2 ARG 43 HH12 ARG 43 -6.306 0.737 13.140 335 H TYR 44 HN TYR 44 1.722 -2.204 12.800 336 HA TYR 44 HA TYR 44 2.564 -4.622 11.361 337 1HB TYR 44 HB2 TYR 44 3.115 -3.759 14.211 338 2HB TYR 44 HB1 TYR 44 3.810 -5.163 13.407 339 HD1 TYR 44 HD1 TYR 44 3.811 -1.497 13.634 340 HD2 TYR 44 HD2 TYR 44 5.455 -4.921 11.644 341 HE1 TYR 44 HE1 TYR 44 5.623 -0.084 12.714 342 HE2 TYR 44 HE2 TYR 44 7.278 -3.520 10.717 343 HH TYR 44 HH TYR 44 8.421 -1.266 11.476 344 H ALA 45 HN ALA 45 1.925 -6.654 11.751 345 HA ALA 45 HA ALA 45 -0.043 -7.183 13.856 346 1HB ALA 45 HB1 ALA 45 -0.556 -8.079 11.019 347 2HB ALA 45 HB2 ALA 45 -1.201 -6.559 11.639 348 3HB ALA 45 HB3 ALA 45 -1.665 -8.086 12.391 349 H ALA 46 HN ALA 46 -0.396 -9.620 14.016 350 HA ALA 46 HA ALA 46 2.101 -10.885 14.213 351 1HB ALA 46 HB1 ALA 46 -0.656 -12.144 14.071 352 2HB ALA 46 HB2 ALA 46 0.185 -11.648 15.538 353 3HB ALA 46 HB3 ALA 46 0.811 -12.985 14.573 354 H ALA 47 HN ALA 47 -0.061 -10.624 11.464 355 HA ALA 47 HA ALA 47 1.931 -12.151 9.903 356 1HB ALA 47 HB1 ALA 47 -1.064 -12.580 9.800 357 2HB ALA 47 HB2 ALA 47 0.134 -13.721 10.415 358 3HB ALA 47 HB3 ALA 47 0.106 -13.311 8.700 359 H ASN 48 HN ASN 48 2.064 -11.686 7.693 360 HA ASN 48 HA ASN 48 1.453 -8.972 6.924 361 1HB ASN 48 HB2 ASN 48 3.419 -10.373 6.098 362 2HB ASN 48 HB1 ASN 48 2.256 -11.253 5.108 363 1HD2 ASN 48 HD21 ASN 48 3.693 -10.242 3.305 364 2HD2 ASN 48 HD22 ASN 48 3.261 -8.692 2.765 365 H ASN 49 HN ASN 49 -0.432 -8.259 5.995 366 HA ASN 49 HA ASN 49 -2.084 -10.095 4.439 367 1HB ASN 49 HB2 ASN 49 -2.715 -10.279 6.919 368 2HB ASN 49 HB1 ASN 49 -3.325 -8.635 6.766 369 1HD2 ASN 49 HD21 ASN 49 -5.483 -9.765 7.255 370 2HD2 ASN 49 HD22 ASN 49 -6.329 -10.443 5.949 371 H LEU 50 HN LEU 50 -3.563 -9.035 3.076 372 HA LEU 50 HA LEU 50 -3.442 -6.077 3.001 373 1HB LEU 50 HB2 LEU 50 -2.063 -7.037 1.180 374 2HB LEU 50 HB1 LEU 50 -3.426 -8.025 0.668 375 HG LEU 50 HG LEU 50 -4.731 -5.950 0.205 376 1HD1 LEU 50 HD11 LEU 50 -2.202 -4.647 1.173 377 2HD1 LEU 50 HD12 LEU 50 -3.876 -4.299 1.609 378 3HD1 LEU 50 HD13 LEU 50 -3.262 -3.821 0.031 379 1HD2 LEU 50 HD21 LEU 50 -2.030 -5.958 -1.186 380 2HD2 LEU 50 HD22 LEU 50 -3.543 -5.322 -1.831 381 3HD2 LEU 50 HD23 LEU 50 -3.353 -7.057 -1.579 382 H SER 51 HN SER 51 -5.516 -5.280 3.286 383 HA SER 51 HA SER 51 -7.798 -7.000 2.457 384 1HB SER 51 HB2 SER 51 -7.610 -6.878 4.896 385 2HB SER 51 HB1 SER 51 -7.608 -5.118 4.818 386 HG SER 51 HG SER 51 -9.692 -5.129 4.392 387 H VAL 52 HN VAL 52 -9.195 -6.027 1.045 388 HA VAL 52 HA VAL 52 -9.118 -3.085 0.791 389 HB VAL 52 HB VAL 52 -9.519 -5.091 -1.449 390 1HG1 VAL 52 HG11 VAL 52 -9.468 -2.055 -1.420 391 2HG1 VAL 52 HG12 VAL 52 -10.862 -3.070 -1.781 392 3HG1 VAL 52 HG13 VAL 52 -9.485 -3.043 -2.880 393 1HG2 VAL 52 HG21 VAL 52 -7.242 -3.199 -0.777 394 2HG2 VAL 52 HG22 VAL 52 -7.389 -4.075 -2.302 395 3HG2 VAL 52 HG23 VAL 52 -7.174 -4.962 -0.792 396 H ILE 53 HN ILE 53 -11.064 -2.158 1.213 397 HA ILE 53 HA ILE 53 -13.505 -3.840 1.006 398 HB ILE 53 HB ILE 53 -12.894 -1.607 2.962 399 1HG1 ILE 53 HG12 ILE 53 -13.359 -4.539 3.565 400 2HG1 ILE 53 HG11 ILE 53 -11.743 -3.875 3.310 401 1HG2 ILE 53 HG21 ILE 53 -15.246 -1.609 2.437 402 2HG2 ILE 53 HG22 ILE 53 -15.054 -2.404 3.999 403 3HG2 ILE 53 HG23 ILE 53 -15.323 -3.369 2.547 404 1HD1 ILE 53 HD11 ILE 53 -13.702 -2.747 5.323 405 2HD1 ILE 53 HD12 ILE 53 -11.989 -2.362 5.164 406 3HD1 ILE 53 HD13 ILE 53 -12.485 -3.957 5.730 407 H GLY 54 HN GLY 54 -15.043 -3.105 -0.338 408 1HA GLY 54 HA2 GLY 54 -16.464 -1.461 -1.275 409 2HA GLY 54 HA1 GLY 54 -15.279 -0.225 -0.856 410 H ALA 55 HN ALA 55 -13.902 -2.988 -2.352 411 HA ALA 55 HA ALA 55 -13.807 -1.546 -4.950 412 1HB ALA 55 HB1 ALA 55 -11.687 -1.612 -3.423 413 2HB ALA 55 HB2 ALA 55 -11.521 -1.933 -5.149 414 3HB ALA 55 HB3 ALA 55 -11.538 -3.272 -4.003 415 H THR 56 HN THR 56 -13.212 -2.841 -6.781 416 HA THR 56 HA THR 56 -14.660 -5.415 -6.976 417 HB THR 56 HB THR 56 -14.447 -4.998 -9.337 418 HG1 THR 56 HG1 THR 56 -12.500 -4.011 -9.505 419 1HG2 THR 56 HG21 THR 56 -15.338 -2.594 -7.731 420 2HG2 THR 56 HG22 THR 56 -16.339 -3.932 -8.294 421 3HG2 THR 56 HG23 THR 56 -15.660 -2.790 -9.453 422 H LYS 57 HN LYS 57 -13.748 -7.138 -8.048 423 HA LYS 57 HA LYS 57 -11.273 -7.981 -7.116 424 1HB LYS 57 HB2 LYS 57 -12.779 -8.932 -9.572 425 2HB LYS 57 HB1 LYS 57 -11.504 -9.822 -8.750 426 1HG LYS 57 HG2 LYS 57 -12.905 -9.943 -6.700 427 2HG LYS 57 HG1 LYS 57 -14.181 -9.044 -7.534 428 1HD LYS 57 HD2 LYS 57 -14.324 -10.824 -9.229 429 2HD LYS 57 HD1 LYS 57 -13.047 -11.717 -8.406 430 1HE LYS 57 HE2 LYS 57 -14.440 -11.954 -6.416 431 2HE LYS 57 HE1 LYS 57 -15.699 -10.957 -7.150 432 1HZ LYS 57 HZ1 LYS 57 -15.081 -13.730 -7.578 433 2HZ LYS 57 HZ2 LYS 57 -15.250 -12.855 -9.024 434 3HZ LYS 57 HZ3 LYS 57 -16.515 -12.881 -7.890 435 H GLU 58 HN GLU 58 -12.015 -6.493 -10.323 436 HA GLU 58 HA GLU 58 -9.402 -6.910 -11.376 437 1HB GLU 58 HB2 GLU 58 -11.496 -6.364 -12.688 438 2HB GLU 58 HB1 GLU 58 -11.365 -4.717 -12.076 439 1HG GLU 58 HG2 GLU 58 -10.297 -4.752 -14.228 440 2HG GLU 58 HG1 GLU 58 -9.018 -4.656 -13.020 441 H ASP 59 HN ASP 59 -10.904 -4.327 -9.480 442 HA ASP 59 HA ASP 59 -8.789 -2.464 -9.688 443 1HB ASP 59 HB2 ASP 59 -10.945 -2.901 -7.615 444 2HB ASP 59 HB1 ASP 59 -9.778 -1.584 -7.506 445 H LYS 60 HN LYS 60 -9.594 -5.008 -7.393 446 HA LYS 60 HA LYS 60 -7.397 -4.608 -5.643 447 1HB LYS 60 HB2 LYS 60 -9.391 -5.916 -4.983 448 2HB LYS 60 HB1 LYS 60 -8.984 -7.141 -6.182 449 1HG LYS 60 HG2 LYS 60 -6.857 -7.586 -5.009 450 2HG LYS 60 HG1 LYS 60 -7.261 -6.356 -3.810 451 1HD LYS 60 HD2 LYS 60 -9.190 -7.620 -3.076 452 2HD LYS 60 HD1 LYS 60 -8.986 -8.780 -4.388 453 1HE LYS 60 HE2 LYS 60 -6.820 -9.477 -3.452 454 2HE LYS 60 HE1 LYS 60 -6.993 -8.295 -2.154 455 1HZ LYS 60 HZ1 LYS 60 -8.033 -9.885 -1.034 456 2HZ LYS 60 HZ2 LYS 60 -8.136 -10.896 -2.395 457 3HZ LYS 60 HZ3 LYS 60 -9.329 -9.718 -2.116 458 H GLN 61 HN GLN 61 -7.626 -6.601 -8.600 459 HA GLN 61 HA GLN 61 -5.062 -7.801 -8.216 460 1HB GLN 61 HB2 GLN 61 -6.695 -7.224 -10.706 461 2HB GLN 61 HB1 GLN 61 -5.177 -8.121 -10.724 462 1HG GLN 61 HG2 GLN 61 -6.113 -9.792 -9.203 463 2HG GLN 61 HG1 GLN 61 -7.617 -8.881 -9.097 464 1HE2 GLN 61 HE21 GLN 61 -7.579 -11.581 -10.053 465 2HE2 GLN 61 HE22 GLN 61 -7.990 -11.563 -11.700 466 H ARG 62 HN ARG 62 -6.173 -4.810 -9.847 467 HA ARG 62 HA ARG 62 -3.657 -4.082 -10.853 468 1HB ARG 62 HB2 ARG 62 -5.744 -2.989 -11.596 469 2HB ARG 62 HB1 ARG 62 -5.952 -2.288 -9.994 470 1HG ARG 62 HG2 ARG 62 -3.866 -1.021 -10.250 471 2HG ARG 62 HG1 ARG 62 -3.592 -1.752 -11.830 472 1HD ARG 62 HD2 ARG 62 -5.695 -0.763 -12.653 473 2HD ARG 62 HD1 ARG 62 -5.968 -0.027 -11.076 474 HE ARG 62 HE ARG 62 -4.431 1.614 -11.646 475 1HH1 ARG 62 HH11 ARG 62 -4.639 -0.742 -14.124 476 2HH1 ARG 62 HH12 ARG 62 -3.264 -0.161 -15.004 477 1HH2 ARG 62 HH21 ARG 62 -2.402 2.205 -12.621 478 2HH2 ARG 62 HH22 ARG 62 -1.996 1.504 -14.152 479 H ILE 63 HN ILE 63 -5.222 -3.309 -7.767 480 HA ILE 63 HA ILE 63 -3.124 -1.698 -6.790 481 HB ILE 63 HB ILE 63 -5.164 -3.323 -5.302 482 1HG1 ILE 63 HG12 ILE 63 -4.914 -0.326 -5.618 483 2HG1 ILE 63 HG11 ILE 63 -5.868 -1.321 -6.716 484 1HG2 ILE 63 HG21 ILE 63 -3.373 -3.087 -3.749 485 2HG2 ILE 63 HG22 ILE 63 -4.479 -1.768 -3.368 486 3HG2 ILE 63 HG23 ILE 63 -3.017 -1.452 -4.303 487 1HD1 ILE 63 HD11 ILE 63 -7.168 -2.166 -4.755 488 2HD1 ILE 63 HD12 ILE 63 -7.330 -0.424 -4.983 489 3HD1 ILE 63 HD13 ILE 63 -6.269 -1.055 -3.723 490 H SER 64 HN SER 64 -3.581 -5.198 -6.579 491 HA SER 64 HA SER 64 -1.309 -5.710 -4.953 492 1HB SER 64 HB2 SER 64 -1.435 -7.982 -5.763 493 2HB SER 64 HB1 SER 64 -3.089 -7.398 -5.604 494 HG SER 64 HG SER 64 -1.525 -7.465 -7.978 495 H GLU 65 HN GLU 65 -1.688 -5.316 -8.532 496 HA GLU 65 HA GLU 65 1.014 -5.883 -9.133 497 1HB GLU 65 HB2 GLU 65 -1.072 -4.264 -10.612 498 2HB GLU 65 HB1 GLU 65 0.538 -4.588 -11.258 499 1HG GLU 65 HG2 GLU 65 0.137 -7.008 -11.084 500 2HG GLU 65 HG1 GLU 65 -1.465 -6.703 -10.414 501 H ILE 66 HN ILE 66 -0.655 -2.844 -8.376 502 HA ILE 66 HA ILE 66 1.512 -1.115 -8.835 503 HB ILE 66 HB ILE 66 -0.829 -0.895 -6.933 504 1HG1 ILE 66 HG12 ILE 66 -0.258 0.470 -9.584 505 2HG1 ILE 66 HG11 ILE 66 -1.230 -0.991 -9.430 506 1HG2 ILE 66 HG21 ILE 66 1.354 1.071 -7.660 507 2HG2 ILE 66 HG22 ILE 66 0.828 0.582 -6.049 508 3HG2 ILE 66 HG23 ILE 66 -0.215 1.589 -7.048 509 1HD1 ILE 66 HD11 ILE 66 -2.460 1.299 -9.458 510 2HD1 ILE 66 HD12 ILE 66 -1.885 1.464 -7.801 511 3HD1 ILE 66 HD13 ILE 66 -2.936 0.119 -8.240 512 H LEU 67 HN LEU 67 0.485 -2.782 -5.885 513 HA LEU 67 HA LEU 67 2.481 -1.742 -4.190 514 1HB LEU 67 HB2 LEU 67 0.610 -2.919 -3.200 515 2HB LEU 67 HB1 LEU 67 0.959 -4.366 -4.138 516 HG LEU 67 HG LEU 67 3.169 -4.544 -2.906 517 1HD1 LEU 67 HD11 LEU 67 3.622 -2.393 -2.042 518 2HD1 LEU 67 HD12 LEU 67 3.075 -3.279 -0.623 519 3HD1 LEU 67 HD13 LEU 67 1.972 -2.183 -1.453 520 1HD2 LEU 67 HD21 LEU 67 0.706 -4.535 -1.138 521 2HD2 LEU 67 HD22 LEU 67 2.164 -5.502 -0.916 522 3HD2 LEU 67 HD23 LEU 67 1.101 -5.813 -2.288 523 H GLN 68 HN GLN 68 2.435 -4.551 -6.330 524 HA GLN 68 HA GLN 68 5.012 -5.511 -5.611 525 1HB GLN 68 HB2 GLN 68 3.393 -5.766 -8.153 526 2HB GLN 68 HB1 GLN 68 4.954 -6.556 -7.919 527 1HG GLN 68 HG2 GLN 68 4.111 -7.784 -6.011 528 2HG GLN 68 HG1 GLN 68 2.591 -6.895 -6.053 529 1HE2 GLN 68 HE21 GLN 68 2.905 -9.825 -6.324 530 2HE2 GLN 68 HE22 GLN 68 2.290 -10.229 -7.853 531 H GLU 69 HN GLU 69 4.029 -3.295 -8.287 532 HA GLU 69 HA GLU 69 6.622 -2.900 -9.239 533 1HB GLU 69 HB2 GLU 69 4.159 -1.159 -9.376 534 2HB GLU 69 HB1 GLU 69 5.645 -0.814 -10.263 535 1HG GLU 69 HG2 GLU 69 5.509 -3.023 -11.353 536 2HG GLU 69 HG1 GLU 69 4.024 -3.369 -10.469 537 H THR 70 HN THR 70 4.831 -0.925 -6.839 538 HA THR 70 HA THR 70 6.782 1.080 -6.542 539 HB THR 70 HB THR 70 4.891 -0.002 -4.485 540 HG1 THR 70 HG1 THR 70 4.057 2.266 -5.319 541 1HG2 THR 70 HG21 THR 70 6.568 2.500 -4.601 542 2HG2 THR 70 HG22 THR 70 6.559 1.263 -3.343 543 3HG2 THR 70 HG23 THR 70 5.175 2.340 -3.532 544 H TRP 71 HN TRP 71 6.233 -1.887 -4.823 545 HA TRP 71 HA TRP 71 8.306 -1.769 -3.007 546 1HB TRP 71 HB2 TRP 71 6.327 -3.245 -2.969 547 2HB TRP 71 HB1 TRP 71 7.025 -4.158 -4.293 548 HD1 TRP 71 HD1 TRP 71 7.733 -6.372 -3.330 549 HE1 TRP 71 HE1 TRP 71 9.080 -7.184 -1.299 550 HE3 TRP 71 HE3 TRP 71 8.432 -1.926 -0.830 551 HZ2 TRP 71 HZ2 TRP 71 10.271 -6.132 1.058 552 HZ3 TRP 71 HZ3 TRP 71 9.666 -1.893 1.302 553 HH2 TRP 71 HH2 TRP 71 10.580 -3.985 2.257 554 H GLU 72 HN GLU 72 8.263 -3.023 -6.290 555 HA GLU 72 HA GLU 72 10.959 -3.958 -6.191 556 1HB GLU 72 HB2 GLU 72 9.049 -3.521 -8.488 557 2HB GLU 72 HB1 GLU 72 10.701 -4.086 -8.731 558 1HG GLU 72 HG2 GLU 72 10.301 -6.031 -7.339 559 2HG GLU 72 HG1 GLU 72 8.698 -5.440 -6.904 560 H SER 73 HN SER 73 9.634 -0.781 -6.648 561 HA SER 73 HA SER 73 12.170 0.103 -7.901 562 1HB SER 73 HB2 SER 73 10.391 0.848 -9.243 563 2HB SER 73 HB1 SER 73 9.388 1.253 -7.855 564 HG SER 73 HG SER 73 10.187 3.170 -8.473 565 H ALA 74 HN ALA 74 11.560 -0.476 -4.967 566 HA ALA 74 HA ALA 74 11.347 1.704 -3.376 567 1HB ALA 74 HB1 ALA 74 13.030 -0.755 -3.009 568 2HB ALA 74 HB2 ALA 74 11.341 -0.533 -2.550 569 3HB ALA 74 HB3 ALA 74 12.607 0.379 -1.726 570 H ASP 75 HN ASP 75 14.374 0.617 -4.908 571 HA ASP 75 HA ASP 75 16.127 2.227 -3.385 572 1HB ASP 75 HB2 ASP 75 16.355 1.052 -6.155 573 2HB ASP 75 HB1 ASP 75 17.676 1.899 -5.350 574 H ASP 76 HN ASP 76 13.992 3.064 -5.992 575 HA ASP 76 HA ASP 76 15.439 5.551 -6.615 576 1HB ASP 76 HB2 ASP 76 12.939 4.276 -7.726 577 2HB ASP 76 HB1 ASP 76 13.495 5.882 -8.197 578 H TRP 77 HN TRP 77 12.314 4.608 -5.153 579 HA TRP 77 HA TRP 77 11.892 7.456 -4.460 580 1HB TRP 77 HB2 TRP 77 9.644 7.018 -4.132 581 2HB TRP 77 HB1 TRP 77 10.093 6.120 -5.562 582 HD1 TRP 77 HD1 TRP 77 9.842 3.501 -5.502 583 HE1 TRP 77 HE1 TRP 77 8.825 1.877 -3.806 584 HE3 TRP 77 HE3 TRP 77 9.488 6.559 -1.322 585 HZ2 TRP 77 HZ2 TRP 77 7.965 1.828 -1.111 586 HZ3 TRP 77 HZ3 TRP 77 8.544 5.641 0.750 587 HH2 TRP 77 HH2 TRP 77 7.780 3.302 0.863 588 H PHE 78 HN PHE 78 12.912 4.562 -2.799 589 HA PHE 78 HA PHE 78 12.083 5.731 -0.225 590 1HB PHE 78 HB2 PHE 78 12.002 3.277 -0.366 591 2HB PHE 78 HB1 PHE 78 13.724 3.241 -0.744 592 HD1 PHE 78 HD1 PHE 78 11.436 4.835 1.814 593 HD2 PHE 78 HD2 PHE 78 15.216 2.883 1.065 594 HE1 PHE 78 HE1 PHE 78 12.016 4.993 4.211 595 HE2 PHE 78 HE2 PHE 78 15.761 3.041 3.469 596 HZ PHE 78 HZ PHE 78 14.167 4.097 5.041 597 H VAL 79 HN VAL 79 13.262 6.963 0.945 598 HA VAL 79 HA VAL 79 16.130 7.331 0.313 599 HB VAL 79 HB VAL 79 15.136 9.314 -0.454 600 1HG1 VAL 79 HG11 VAL 79 12.841 8.855 0.163 601 2HG1 VAL 79 HG12 VAL 79 13.269 10.445 0.800 602 3HG1 VAL 79 HG13 VAL 79 13.215 9.052 1.879 603 1HG2 VAL 79 HG21 VAL 79 16.826 9.666 1.465 604 2HG2 VAL 79 HG22 VAL 79 15.425 10.050 2.466 605 3HG2 VAL 79 HG23 VAL 79 15.793 11.032 1.048 606 H SER 80 HN SER 80 17.511 7.787 2.212 607 HA SER 80 HA SER 80 16.203 7.413 4.832 608 1HB SER 80 HB2 SER 80 17.082 5.188 3.957 609 2HB SER 80 HB1 SER 80 18.698 5.888 4.035 610 HG SER 80 HG SER 80 18.102 6.412 6.288 611 H GLU 81 HN GLU 81 17.118 8.543 6.453 612 HA GLU 81 HA GLU 81 19.730 9.852 6.027 613 1HB GLU 81 HB2 GLU 81 17.984 11.457 5.300 614 2HB GLU 81 HB1 GLU 81 17.223 11.323 6.885 615 1HG GLU 81 HG2 GLU 81 19.268 12.167 7.960 616 2HG GLU 81 HG1 GLU 81 20.064 12.264 6.390 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -13.743 4.631 0.144 2 2H MET 1 HT2 MET 1 -14.915 3.931 -0.867 3 3H MET 1 HT3 MET 1 -13.547 4.682 -1.540 4 HA MET 1 HA MET 1 -13.851 2.019 -0.456 5 1HB MET 1 HB2 MET 1 -13.312 2.597 -2.828 6 2HB MET 1 HB1 MET 1 -11.792 3.297 -2.275 7 1HG MET 1 HG2 MET 1 -11.090 1.134 -1.367 8 2HG MET 1 HG1 MET 1 -12.637 0.422 -1.818 9 1HE MET 1 HE1 MET 1 -9.376 1.916 -2.739 10 2HE MET 1 HE2 MET 1 -10.182 2.946 -3.919 11 3HE MET 1 HE3 MET 1 -9.130 1.645 -4.469 12 H ARG 2 HN ARG 2 -12.334 1.002 0.914 13 HA ARG 2 HA ARG 2 -10.261 2.763 2.101 14 1HB ARG 2 HB2 ARG 2 -10.672 1.718 4.271 15 2HB ARG 2 HB1 ARG 2 -12.133 2.492 3.661 16 1HG ARG 2 HG2 ARG 2 -12.842 0.243 2.755 17 2HG ARG 2 HG1 ARG 2 -11.472 -0.460 3.615 18 1HD ARG 2 HD2 ARG 2 -13.680 1.165 4.907 19 2HD ARG 2 HD1 ARG 2 -13.574 -0.592 4.938 20 HE ARG 2 HE ARG 2 -11.180 0.141 5.964 21 1HH1 ARG 2 HH21 ARG 2 -12.533 2.757 6.737 22 2HH1 ARG 2 HH22 ARG 2 -13.082 2.406 8.342 23 1HH2 ARG 2 HH11 ARG 2 -12.711 -1.024 8.007 24 2HH2 ARG 2 HH12 ARG 2 -13.180 0.266 9.062 25 H ILE 3 HN ILE 3 -8.289 1.931 2.241 26 HA ILE 3 HA ILE 3 -7.865 -0.941 1.545 27 HB ILE 3 HB ILE 3 -6.099 1.461 1.020 28 1HG1 ILE 3 HG12 ILE 3 -7.517 -0.318 -0.975 29 2HG1 ILE 3 HG11 ILE 3 -8.228 1.179 -0.372 30 1HG2 ILE 3 HG21 ILE 3 -4.869 -0.287 -0.385 31 2HG2 ILE 3 HG22 ILE 3 -5.789 -1.500 0.506 32 3HG2 ILE 3 HG23 ILE 3 -4.688 -0.423 1.364 33 1HD1 ILE 3 HD11 ILE 3 -6.831 1.259 -2.577 34 2HD1 ILE 3 HD12 ILE 3 -5.434 1.180 -1.505 35 3HD1 ILE 3 HD13 ILE 3 -6.576 2.517 -1.368 36 H GLU 4 HN GLU 4 -6.956 -2.090 3.169 37 HA GLU 4 HA GLU 4 -5.265 -0.665 5.161 38 1HB GLU 4 HB2 GLU 4 -7.128 -3.007 5.678 39 2HB GLU 4 HB1 GLU 4 -6.055 -2.269 6.868 40 1HG GLU 4 HG2 GLU 4 -7.216 -0.111 6.581 41 2HG GLU 4 HG1 GLU 4 -8.292 -0.846 5.393 42 H VAL 5 HN VAL 5 -3.280 -1.359 5.366 43 HA VAL 5 HA VAL 5 -2.564 -4.047 4.298 44 HB VAL 5 HB VAL 5 -0.857 -1.555 4.332 45 1HG1 VAL 5 HG11 VAL 5 -0.431 -4.309 3.139 46 2HG1 VAL 5 HG12 VAL 5 0.457 -3.609 4.492 47 3HG1 VAL 5 HG13 VAL 5 0.631 -2.927 2.876 48 1HG2 VAL 5 HG21 VAL 5 -2.959 -1.889 2.642 49 2HG2 VAL 5 HG22 VAL 5 -1.745 -2.811 1.763 50 3HG2 VAL 5 HG23 VAL 5 -1.457 -1.118 2.140 51 H THR 6 HN THR 6 -1.486 -5.397 5.599 52 HA THR 6 HA THR 6 -0.392 -4.344 8.156 53 HB THR 6 HB THR 6 -0.923 -6.645 9.059 54 HG1 THR 6 HG1 THR 6 -2.766 -6.810 6.957 55 1HG2 THR 6 HG21 THR 6 -2.301 -4.649 9.555 56 2HG2 THR 6 HG22 THR 6 -3.287 -6.108 9.453 57 3HG2 THR 6 HG23 THR 6 -3.261 -4.966 8.110 58 H ILE 7 HN ILE 7 1.599 -4.866 8.636 59 HA ILE 7 HA ILE 7 3.080 -6.732 6.869 60 HB ILE 7 HB ILE 7 3.816 -4.151 8.232 61 1HG1 ILE 7 HG12 ILE 7 4.246 -5.136 5.391 62 2HG1 ILE 7 HG11 ILE 7 2.851 -4.191 5.903 63 1HG2 ILE 7 HG21 ILE 7 5.615 -6.394 7.258 64 2HG2 ILE 7 HG22 ILE 7 5.683 -5.533 8.794 65 3HG2 ILE 7 HG23 ILE 7 6.186 -4.725 7.311 66 1HD1 ILE 7 HD11 ILE 7 5.650 -3.198 6.434 67 2HD1 ILE 7 HD12 ILE 7 4.150 -2.277 6.336 68 3HD1 ILE 7 HD13 ILE 7 4.880 -2.930 4.871 69 H ALA 8 HN ALA 8 4.079 -8.430 7.835 70 HA ALA 8 HA ALA 8 3.547 -9.074 10.530 71 1HB ALA 8 HB1 ALA 8 5.284 -10.876 10.120 72 2HB ALA 8 HB2 ALA 8 5.507 -10.177 8.515 73 3HB ALA 8 HB3 ALA 8 3.942 -10.846 8.976 74 H LYS 9 HN LYS 9 4.533 -8.658 12.258 75 HA LYS 9 HA LYS 9 6.496 -6.695 12.521 76 1HB LYS 9 HB2 LYS 9 4.882 -7.219 14.320 77 2HB LYS 9 HB1 LYS 9 5.624 -8.797 14.535 78 1HG LYS 9 HG2 LYS 9 7.739 -7.718 15.236 79 2HG LYS 9 HG1 LYS 9 7.002 -6.126 15.028 80 1HD LYS 9 HD2 LYS 9 5.385 -6.563 16.755 81 2HD LYS 9 HD1 LYS 9 5.877 -8.254 16.862 82 1HE LYS 9 HE2 LYS 9 6.892 -7.029 18.703 83 2HE LYS 9 HE1 LYS 9 8.157 -7.493 17.565 84 1HZ LYS 9 HZ1 LYS 9 6.820 -4.844 17.692 85 2HZ LYS 9 HZ2 LYS 9 8.025 -5.289 16.580 86 3HZ LYS 9 HZ3 LYS 9 8.388 -5.190 18.236 87 H THR 10 HN THR 10 6.856 -10.095 12.014 88 HA THR 10 HA THR 10 9.470 -10.462 13.033 89 HB THR 10 HB THR 10 9.524 -12.338 11.325 90 HG1 THR 10 HG1 THR 10 8.087 -11.265 9.863 91 1HG2 THR 10 HG21 THR 10 8.033 -13.701 12.568 92 2HG2 THR 10 HG22 THR 10 6.967 -12.346 12.932 93 3HG2 THR 10 HG23 THR 10 8.545 -12.459 13.708 94 H SER 11 HN SER 11 8.314 -8.535 10.493 95 HA SER 11 HA SER 11 11.018 -8.390 9.252 96 1HB SER 11 HB2 SER 11 8.283 -8.077 8.006 97 2HB SER 11 HB1 SER 11 9.777 -7.601 7.206 98 HG SER 11 HG SER 11 8.725 -9.943 7.155 99 HA PRO 12 HA PRO 12 9.977 -4.192 10.983 100 1HB PRO 12 HB2 PRO 12 12.657 -4.047 12.066 101 2HB PRO 12 HB1 PRO 12 11.137 -4.181 12.969 102 1HG PRO 12 HG2 PRO 12 13.078 -6.149 12.849 103 2HG PRO 12 HG1 PRO 12 11.379 -6.426 13.265 104 1HD PRO 12 HD2 PRO 12 12.787 -6.921 10.662 105 2HD PRO 12 HD1 PRO 12 11.481 -7.841 11.436 106 H LEU 13 HN LEU 13 10.102 -2.408 9.987 107 HA LEU 13 HA LEU 13 12.222 -2.092 7.945 108 1HB LEU 13 HB2 LEU 13 9.609 -0.581 8.092 109 2HB LEU 13 HB1 LEU 13 10.688 -0.765 6.709 110 HG LEU 13 HG LEU 13 9.069 -2.976 8.010 111 1HD1 LEU 13 HD11 LEU 13 8.847 -1.655 5.283 112 2HD1 LEU 13 HD12 LEU 13 7.704 -1.477 6.614 113 3HD1 LEU 13 HD13 LEU 13 7.903 -3.040 5.824 114 1HD2 LEU 13 HD21 LEU 13 9.919 -4.248 5.929 115 2HD2 LEU 13 HD22 LEU 13 11.073 -3.999 7.236 116 3HD2 LEU 13 HD23 LEU 13 11.136 -2.980 5.800 117 HA PRO 14 HA PRO 14 14.088 1.076 10.319 118 1HB PRO 14 HB2 PRO 14 14.259 3.097 8.233 119 2HB PRO 14 HB1 PRO 14 15.547 2.047 8.846 120 1HG PRO 14 HG2 PRO 14 13.991 1.802 6.392 121 2HG PRO 14 HG1 PRO 14 15.469 0.954 6.867 122 1HD PRO 14 HD2 PRO 14 12.937 -0.217 6.703 123 2HD PRO 14 HD1 PRO 14 14.304 -0.885 7.612 124 H ALA 15 HN ALA 15 13.718 2.931 11.412 125 HA ALA 15 HA ALA 15 11.108 3.599 12.082 126 1HB ALA 15 HB1 ALA 15 13.244 3.947 13.397 127 2HB ALA 15 HB2 ALA 15 12.051 5.243 13.498 128 3HB ALA 15 HB3 ALA 15 13.468 5.426 12.464 129 H GLY 16 HN GLY 16 10.879 3.930 9.371 130 1HA GLY 16 HA2 GLY 16 9.824 6.565 9.119 131 2HA GLY 16 HA1 GLY 16 11.358 6.476 8.299 132 H ALA 17 HN ALA 17 10.705 3.506 7.936 133 HA ALA 17 HA ALA 17 9.818 3.731 5.230 134 1HB ALA 17 HB1 ALA 17 10.647 1.528 7.058 135 2HB ALA 17 HB2 ALA 17 11.290 1.964 5.476 136 3HB ALA 17 HB3 ALA 17 9.755 1.100 5.595 137 H ILE 18 HN ILE 18 8.011 2.619 8.079 138 HA ILE 18 HA ILE 18 5.843 1.699 6.558 139 HB ILE 18 HB ILE 18 5.936 2.857 9.348 140 1HG1 ILE 18 HG12 ILE 18 7.163 0.640 8.617 141 2HG1 ILE 18 HG11 ILE 18 6.220 0.662 10.096 142 1HG2 ILE 18 HG21 ILE 18 3.717 1.463 9.506 143 2HG2 ILE 18 HG22 ILE 18 3.663 1.681 7.758 144 3HG2 ILE 18 HG23 ILE 18 3.666 3.087 8.822 145 1HD1 ILE 18 HD11 ILE 18 4.529 -0.647 9.210 146 2HD1 ILE 18 HD12 ILE 18 5.913 -1.284 8.326 147 3HD1 ILE 18 HD13 ILE 18 4.837 -0.122 7.556 148 H ASP 19 HN ASP 19 6.418 4.858 8.083 149 HA ASP 19 HA ASP 19 4.054 6.089 7.105 150 1HB ASP 19 HB2 ASP 19 6.715 7.268 7.970 151 2HB ASP 19 HB1 ASP 19 5.318 8.249 7.533 152 H ALA 20 HN ALA 20 7.283 5.774 5.686 153 HA ALA 20 HA ALA 20 6.683 7.490 3.528 154 1HB ALA 20 HB1 ALA 20 8.751 6.890 2.640 155 2HB ALA 20 HB2 ALA 20 8.636 5.229 3.221 156 3HB ALA 20 HB3 ALA 20 8.987 6.534 4.349 157 H LEU 21 HN LEU 21 6.349 3.998 3.946 158 HA LEU 21 HA LEU 21 5.612 3.317 1.347 159 1HB LEU 21 HB2 LEU 21 6.297 1.632 2.888 160 2HB LEU 21 HB1 LEU 21 5.072 2.105 4.058 161 HG LEU 21 HG LEU 21 3.318 1.347 2.520 162 1HD1 LEU 21 HD11 LEU 21 4.067 -0.079 0.552 163 2HD1 LEU 21 HD12 LEU 21 5.678 0.596 0.781 164 3HD1 LEU 21 HD13 LEU 21 4.333 1.651 0.353 165 1HD2 LEU 21 HD21 LEU 21 3.667 -1.011 2.841 166 2HD2 LEU 21 HD22 LEU 21 4.428 -0.180 4.198 167 3HD2 LEU 21 HD23 LEU 21 5.417 -0.798 2.874 168 H ALA 22 HN ALA 22 3.613 4.147 4.160 169 HA ALA 22 HA ALA 22 1.075 3.880 2.907 170 1HB ALA 22 HB1 ALA 22 0.217 5.163 4.769 171 2HB ALA 22 HB2 ALA 22 1.826 5.782 5.141 172 3HB ALA 22 HB3 ALA 22 1.458 4.076 5.393 173 H GLY 23 HN GLY 23 3.306 6.630 3.082 174 1HA GLY 23 HA2 GLY 23 1.510 8.462 1.813 175 2HA GLY 23 HA1 GLY 23 3.273 8.610 1.998 176 H GLU 24 HN GLU 24 4.120 6.368 0.496 177 HA GLU 24 HA GLU 24 3.787 7.379 -2.116 178 1HB GLU 24 HB2 GLU 24 5.437 5.409 -0.830 179 2HB GLU 24 HB1 GLU 24 4.664 4.600 -2.191 180 1HG GLU 24 HG2 GLU 24 6.135 7.244 -2.399 181 2HG GLU 24 HG1 GLU 24 6.836 5.679 -2.781 182 H LEU 25 HN LEU 25 2.290 4.628 -0.472 183 HA LEU 25 HA LEU 25 0.919 3.635 -2.714 184 1HB LEU 25 HB2 LEU 25 0.297 3.450 0.229 185 2HB LEU 25 HB1 LEU 25 -0.642 2.612 -1.002 186 HG LEU 25 HG LEU 25 2.360 2.301 -0.695 187 1HD1 LEU 25 HD11 LEU 25 1.323 1.496 1.337 188 2HD1 LEU 25 HD12 LEU 25 1.742 0.091 0.360 189 3HD1 LEU 25 HD13 LEU 25 0.073 0.656 0.424 190 1HD2 LEU 25 HD21 LEU 25 0.223 0.918 -2.334 191 2HD2 LEU 25 HD22 LEU 25 1.709 0.073 -1.909 192 3HD2 LEU 25 HD23 LEU 25 1.784 1.540 -2.869 193 H SER 26 HN SER 26 -0.084 6.047 -0.323 194 HA SER 26 HA SER 26 -2.752 6.302 -1.187 195 1HB SER 26 HB2 SER 26 -2.792 8.357 0.050 196 2HB SER 26 HB1 SER 26 -1.771 7.226 0.932 197 HG SER 26 HG SER 26 -0.391 8.816 0.807 198 H ARG 27 HN ARG 27 0.171 8.120 -2.222 199 HA ARG 27 HA ARG 27 -1.210 9.855 -3.990 200 1HB ARG 27 HB2 ARG 27 1.141 10.244 -3.322 201 2HB ARG 27 HB1 ARG 27 1.625 8.802 -4.220 202 1HG ARG 27 HG2 ARG 27 0.933 9.765 -6.307 203 2HG ARG 27 HG1 ARG 27 0.145 11.116 -5.494 204 1HD ARG 27 HD2 ARG 27 2.296 11.948 -4.709 205 2HD ARG 27 HD1 ARG 27 3.121 10.547 -5.386 206 HE ARG 27 HE ARG 27 2.938 11.514 -7.505 207 1HH1 ARG 27 HH21 ARG 27 2.574 13.961 -5.387 208 2HH1 ARG 27 HH22 ARG 27 1.511 14.944 -6.337 209 1HH2 ARG 27 HH11 ARG 27 0.856 12.462 -8.665 210 2HH2 ARG 27 HH12 ARG 27 0.540 14.097 -8.188 211 H ARG 28 HN ARG 28 0.135 6.622 -4.445 212 HA ARG 28 HA ARG 28 -0.323 6.395 -7.222 213 1HB ARG 28 HB2 ARG 28 -0.215 4.347 -5.007 214 2HB ARG 28 HB1 ARG 28 -0.337 3.929 -6.709 215 1HG ARG 28 HG2 ARG 28 1.852 5.757 -5.738 216 2HG ARG 28 HG1 ARG 28 2.028 4.010 -5.612 217 1HD ARG 28 HD2 ARG 28 1.517 3.882 -8.095 218 2HD ARG 28 HD1 ARG 28 1.629 5.639 -8.140 219 HE ARG 28 HE ARG 28 3.837 3.760 -7.764 220 1HH1 ARG 28 HH11 ARG 28 3.701 6.353 -5.947 221 2HH1 ARG 28 HH12 ARG 28 4.821 7.357 -6.806 222 1HH2 ARG 28 HH21 ARG 28 4.868 5.345 -9.628 223 2HH2 ARG 28 HH22 ARG 28 5.482 6.787 -8.891 224 H ILE 29 HN ILE 29 -2.362 5.621 -4.425 225 HA ILE 29 HA ILE 29 -4.482 4.415 -5.862 226 HB ILE 29 HB ILE 29 -4.404 5.722 -3.142 227 1HG1 ILE 29 HG12 ILE 29 -3.102 3.640 -3.353 228 2HG1 ILE 29 HG11 ILE 29 -4.508 3.384 -2.338 229 1HG2 ILE 29 HG21 ILE 29 -6.691 5.892 -3.801 230 2HG2 ILE 29 HG22 ILE 29 -6.589 4.445 -2.797 231 3HG2 ILE 29 HG23 ILE 29 -6.666 4.295 -4.553 232 1HD1 ILE 29 HD11 ILE 29 -3.904 2.315 -5.064 233 2HD1 ILE 29 HD12 ILE 29 -5.593 2.632 -4.674 234 3HD1 ILE 29 HD13 ILE 29 -4.654 1.517 -3.688 235 H GLN 30 HN GLN 30 -4.045 7.742 -4.746 236 HA GLN 30 HA GLN 30 -6.578 8.722 -5.665 237 1HB GLN 30 HB2 GLN 30 -3.944 10.120 -5.142 238 2HB GLN 30 HB1 GLN 30 -5.389 10.975 -5.667 239 1HG GLN 30 HG2 GLN 30 -6.592 10.261 -3.664 240 2HG GLN 30 HG1 GLN 30 -5.227 9.273 -3.151 241 1HE2 GLN 30 HE21 GLN 30 -6.312 11.482 -1.590 242 2HE2 GLN 30 HE22 GLN 30 -5.095 12.660 -1.480 243 H TYR 31 HN TYR 31 -3.432 8.474 -7.353 244 HA TYR 31 HA TYR 31 -4.377 9.843 -9.645 245 1HB TYR 31 HB2 TYR 31 -1.979 9.554 -9.301 246 2HB TYR 31 HB1 TYR 31 -2.155 7.800 -9.359 247 HD1 TYR 31 HD1 TYR 31 -2.660 6.646 -11.461 248 HD2 TYR 31 HD2 TYR 31 -2.146 10.909 -11.331 249 HE1 TYR 31 HE1 TYR 31 -2.453 6.696 -13.931 250 HE2 TYR 31 HE2 TYR 31 -1.938 10.957 -13.803 251 HH TYR 31 HH TYR 31 -2.635 8.170 -15.760 252 H ALA 32 HN ALA 32 -4.397 6.436 -8.692 253 HA ALA 32 HA ALA 32 -5.361 5.465 -11.179 254 1HB ALA 32 HB1 ALA 32 -5.449 4.288 -8.398 255 2HB ALA 32 HB2 ALA 32 -4.257 3.963 -9.656 256 3HB ALA 32 HB3 ALA 32 -5.922 3.415 -9.855 257 H PHE 33 HN PHE 33 -6.903 6.495 -8.184 258 HA PHE 33 HA PHE 33 -9.584 6.226 -9.444 259 1HB PHE 33 HB2 PHE 33 -8.784 6.051 -6.538 260 2HB PHE 33 HB1 PHE 33 -10.444 6.051 -7.133 261 HD1 PHE 33 HD1 PHE 33 -7.300 4.151 -6.941 262 HD2 PHE 33 HD2 PHE 33 -11.343 4.157 -8.392 263 HE1 PHE 33 HE1 PHE 33 -7.143 1.719 -7.392 264 HE2 PHE 33 HE2 PHE 33 -11.185 1.725 -8.842 265 HZ PHE 33 HZ PHE 33 -9.083 0.508 -8.346 266 HA PRO 34 HA PRO 34 -8.923 10.727 -8.690 267 1HB PRO 34 HB2 PRO 34 -10.503 11.288 -11.048 268 2HB PRO 34 HB1 PRO 34 -8.772 11.553 -10.791 269 1HG PRO 34 HG2 PRO 34 -9.888 9.664 -12.506 270 2HG PRO 34 HG1 PRO 34 -8.215 9.678 -11.926 271 1HD PRO 34 HD2 PRO 34 -10.494 7.971 -11.047 272 2HD PRO 34 HD1 PRO 34 -8.749 7.644 -11.013 273 H ASP 35 HN ASP 35 -11.741 8.827 -9.389 274 HA ASP 35 HA ASP 35 -13.643 10.851 -8.494 275 1HB ASP 35 HB2 ASP 35 -13.980 8.105 -9.683 276 2HB ASP 35 HB1 ASP 35 -15.322 9.137 -9.196 277 H ASN 36 HN ASN 36 -11.970 8.229 -6.920 278 HA ASN 36 HA ASN 36 -14.183 8.052 -4.932 279 1HB ASN 36 HB2 ASN 36 -12.197 5.902 -5.628 280 2HB ASN 36 HB1 ASN 36 -13.569 5.765 -4.535 281 1HD2 ASN 36 HD21 ASN 36 -15.744 6.605 -5.753 282 2HD2 ASN 36 HD22 ASN 36 -15.961 5.931 -7.295 283 H GLU 37 HN GLU 37 -13.568 8.627 -2.744 284 HA GLU 37 HA GLU 37 -11.009 9.517 -2.084 285 1HB GLU 37 HB2 GLU 37 -13.128 10.058 -0.956 286 2HB GLU 37 HB1 GLU 37 -13.180 8.414 -0.321 287 1HG GLU 37 HG2 GLU 37 -12.209 9.845 1.374 288 2HG GLU 37 HG1 GLU 37 -10.928 8.821 0.736 289 H GLY 38 HN GLY 38 -9.221 8.259 -1.732 290 1HA GLY 38 HA2 GLY 38 -9.563 5.378 -0.994 291 2HA GLY 38 HA1 GLY 38 -8.222 5.900 -1.770 292 H HIS 39 HN HIS 39 -9.016 4.899 1.252 293 HA HIS 39 HA HIS 39 -7.102 6.758 2.516 294 1HB HIS 39 HB2 HIS 39 -9.317 6.810 3.578 295 2HB HIS 39 HB1 HIS 39 -9.274 5.058 3.786 296 HD1 HIS 39 HD1 HIS 39 -6.937 7.965 4.661 297 HD2 HIS 39 HD2 HIS 39 -8.382 4.415 6.302 298 HE1 HIS 39 HE1 HIS 39 -5.895 7.762 6.961 299 H VAL 40 HN VAL 40 -5.140 5.779 2.942 300 HA VAL 40 HA VAL 40 -5.030 2.839 2.958 301 HB VAL 40 HB VAL 40 -2.920 4.885 2.251 302 1HG1 VAL 40 HG11 VAL 40 -1.764 2.780 1.390 303 2HG1 VAL 40 HG12 VAL 40 -2.936 1.864 2.335 304 3HG1 VAL 40 HG13 VAL 40 -1.819 2.966 3.143 305 1HG2 VAL 40 HG21 VAL 40 -3.310 4.271 -0.023 306 2HG2 VAL 40 HG22 VAL 40 -4.920 4.516 0.660 307 3HG2 VAL 40 HG23 VAL 40 -4.291 2.882 0.440 308 H SER 41 HN SER 41 -4.351 1.856 4.733 309 HA SER 41 HA SER 41 -2.856 3.401 6.775 310 1HB SER 41 HB2 SER 41 -5.143 3.110 7.602 311 2HB SER 41 HB1 SER 41 -5.057 1.377 7.299 312 HG SER 41 HG SER 41 -4.604 1.950 9.491 313 H VAL 42 HN VAL 42 -1.173 2.424 7.760 314 HA VAL 42 HA VAL 42 -0.624 -0.392 7.051 315 HB VAL 42 HB VAL 42 1.433 1.844 7.054 316 1HG1 VAL 42 HG11 VAL 42 1.632 -1.100 6.349 317 2HG1 VAL 42 HG12 VAL 42 2.355 -0.313 7.753 318 3HG1 VAL 42 HG13 VAL 42 2.923 0.082 6.130 319 1HG2 VAL 42 HG21 VAL 42 0.536 0.241 4.656 320 2HG2 VAL 42 HG22 VAL 42 1.454 1.742 4.685 321 3HG2 VAL 42 HG23 VAL 42 -0.259 1.749 5.101 322 H ARG 43 HN ARG 43 -0.183 -1.622 8.739 323 HA ARG 43 HA ARG 43 1.028 -0.446 11.125 324 1HB ARG 43 HB2 ARG 43 -1.298 -0.097 11.606 325 2HB ARG 43 HB1 ARG 43 -1.712 -1.735 11.103 326 1HG ARG 43 HG2 ARG 43 -0.549 -2.687 12.988 327 2HG ARG 43 HG1 ARG 43 0.142 -1.123 13.421 328 1HD ARG 43 HD2 ARG 43 -2.836 -1.650 13.350 329 2HD ARG 43 HD1 ARG 43 -1.864 -1.851 14.803 330 HE ARG 43 HE ARG 43 -1.333 0.710 13.835 331 1HH1 ARG 43 HH11 ARG 43 -4.209 -1.043 14.578 332 2HH1 ARG 43 HH12 ARG 43 -4.975 0.276 15.398 333 1HH2 ARG 43 HH21 ARG 43 -2.251 2.400 15.091 334 2HH2 ARG 43 HH22 ARG 43 -3.866 2.223 15.692 335 H TYR 44 HN TYR 44 1.732 -2.089 12.693 336 HA TYR 44 HA TYR 44 2.651 -4.527 11.352 337 1HB TYR 44 HB2 TYR 44 3.113 -3.441 14.150 338 2HB TYR 44 HB1 TYR 44 3.790 -4.951 13.553 339 HD1 TYR 44 HD1 TYR 44 5.060 -4.741 11.207 340 HD2 TYR 44 HD2 TYR 44 4.423 -1.516 13.977 341 HE1 TYR 44 HE1 TYR 44 6.982 -3.518 10.228 342 HE2 TYR 44 HE2 TYR 44 6.341 -0.296 13.001 343 HH TYR 44 HH TYR 44 8.660 -1.565 11.300 344 H ALA 45 HN ALA 45 2.017 -6.553 11.738 345 HA ALA 45 HA ALA 45 0.032 -7.079 13.835 346 1HB ALA 45 HB1 ALA 45 -1.225 -6.602 11.734 347 2HB ALA 45 HB2 ALA 45 -1.416 -8.269 12.279 348 3HB ALA 45 HB3 ALA 45 -0.331 -7.898 10.940 349 H ALA 46 HN ALA 46 -0.268 -9.510 14.054 350 HA ALA 46 HA ALA 46 2.257 -10.724 14.361 351 1HB ALA 46 HB1 ALA 46 0.075 -11.328 15.566 352 2HB ALA 46 HB2 ALA 46 1.088 -12.681 15.060 353 3HB ALA 46 HB3 ALA 46 -0.342 -12.249 14.121 354 H ALA 47 HN ALA 47 0.099 -10.629 11.626 355 HA ALA 47 HA ALA 47 2.095 -12.201 10.105 356 1HB ALA 47 HB1 ALA 47 -0.874 -12.649 9.804 357 2HB ALA 47 HB2 ALA 47 0.142 -13.636 10.854 358 3HB ALA 47 HB3 ALA 47 0.443 -13.599 9.118 359 H ASN 48 HN ASN 48 2.158 -11.867 7.863 360 HA ASN 48 HA ASN 48 1.505 -9.182 7.028 361 1HB ASN 48 HB2 ASN 48 3.508 -10.382 6.175 362 2HB ASN 48 HB1 ASN 48 2.452 -11.565 5.404 363 1HD2 ASN 48 HD21 ASN 48 3.291 -8.081 5.382 364 2HD2 ASN 48 HD22 ASN 48 2.775 -7.811 3.788 365 H ASN 49 HN ASN 49 -0.434 -8.569 6.217 366 HA ASN 49 HA ASN 49 -2.057 -10.445 4.666 367 1HB ASN 49 HB2 ASN 49 -3.039 -9.182 7.232 368 2HB ASN 49 HB1 ASN 49 -4.084 -9.924 6.026 369 1HD2 ASN 49 HD21 ASN 49 -2.713 -10.625 8.924 370 2HD2 ASN 49 HD22 ASN 49 -2.475 -12.296 8.743 371 H LEU 50 HN LEU 50 -3.565 -9.407 3.322 372 HA LEU 50 HA LEU 50 -3.444 -6.450 3.247 373 1HB LEU 50 HB2 LEU 50 -2.075 -7.538 1.436 374 2HB LEU 50 HB1 LEU 50 -3.523 -8.383 0.905 375 HG LEU 50 HG LEU 50 -4.627 -6.118 0.595 376 1HD1 LEU 50 HD11 LEU 50 -2.859 -4.255 0.220 377 2HD1 LEU 50 HD12 LEU 50 -1.821 -5.231 1.256 378 3HD1 LEU 50 HD13 LEU 50 -3.351 -4.610 1.872 379 1HD2 LEU 50 HD21 LEU 50 -3.446 -5.665 -1.545 380 2HD2 LEU 50 HD22 LEU 50 -3.741 -7.387 -1.316 381 3HD2 LEU 50 HD23 LEU 50 -2.132 -6.721 -1.030 382 H SER 51 HN SER 51 -5.509 -5.637 3.532 383 HA SER 51 HA SER 51 -7.792 -7.342 2.694 384 1HB SER 51 HB2 SER 51 -7.468 -5.578 5.123 385 2HB SER 51 HB1 SER 51 -9.019 -6.209 4.577 386 HG SER 51 HG SER 51 -7.837 -7.506 6.174 387 H VAL 52 HN VAL 52 -9.170 -6.356 1.284 388 HA VAL 52 HA VAL 52 -9.090 -3.410 1.043 389 HB VAL 52 HB VAL 52 -9.458 -5.415 -1.205 390 1HG1 VAL 52 HG11 VAL 52 -10.799 -3.399 -1.554 391 2HG1 VAL 52 HG12 VAL 52 -9.401 -3.361 -2.627 392 3HG1 VAL 52 HG13 VAL 52 -9.413 -2.381 -1.161 393 1HG2 VAL 52 HG21 VAL 52 -7.316 -4.250 -2.007 394 2HG2 VAL 52 HG22 VAL 52 -7.137 -5.350 -0.641 395 3HG2 VAL 52 HG23 VAL 52 -7.177 -3.608 -0.370 396 H ILE 53 HN ILE 53 -11.058 -2.499 1.408 397 HA ILE 53 HA ILE 53 -13.474 -4.188 1.052 398 HB ILE 53 HB ILE 53 -13.074 -2.117 3.227 399 1HG1 ILE 53 HG12 ILE 53 -13.297 -4.440 4.604 400 2HG1 ILE 53 HG11 ILE 53 -12.526 -5.083 3.157 401 1HG2 ILE 53 HG21 ILE 53 -15.229 -4.181 2.691 402 2HG2 ILE 53 HG22 ILE 53 -15.393 -2.435 2.502 403 3HG2 ILE 53 HG23 ILE 53 -15.161 -3.130 4.105 404 1HD1 ILE 53 HD11 ILE 53 -11.468 -2.775 4.817 405 2HD1 ILE 53 HD12 ILE 53 -10.675 -3.487 3.414 406 3HD1 ILE 53 HD13 ILE 53 -10.874 -4.432 4.887 407 H GLY 54 HN GLY 54 -15.041 -3.358 -0.132 408 1HA GLY 54 HA2 GLY 54 -16.448 -1.665 -0.966 409 2HA GLY 54 HA1 GLY 54 -15.245 -0.457 -0.522 410 H ALA 55 HN ALA 55 -13.895 -3.162 -2.111 411 HA ALA 55 HA ALA 55 -13.813 -1.655 -4.672 412 1HB ALA 55 HB1 ALA 55 -11.554 -3.429 -3.778 413 2HB ALA 55 HB2 ALA 55 -11.680 -1.785 -3.157 414 3HB ALA 55 HB3 ALA 55 -11.526 -2.061 -4.892 415 H THR 56 HN THR 56 -13.295 -2.907 -6.559 416 HA THR 56 HA THR 56 -14.720 -5.501 -6.766 417 HB THR 56 HB THR 56 -14.598 -5.028 -9.121 418 HG1 THR 56 HG1 THR 56 -12.888 -3.016 -8.211 419 1HG2 THR 56 HG21 THR 56 -15.508 -2.670 -7.451 420 2HG2 THR 56 HG22 THR 56 -16.483 -4.050 -7.956 421 3HG2 THR 56 HG23 THR 56 -15.913 -2.887 -9.153 422 H LYS 57 HN LYS 57 -13.767 -7.171 -7.931 423 HA LYS 57 HA LYS 57 -11.263 -7.959 -7.036 424 1HB LYS 57 HB2 LYS 57 -12.754 -8.905 -9.490 425 2HB LYS 57 HB1 LYS 57 -11.432 -9.763 -8.707 426 1HG LYS 57 HG2 LYS 57 -14.003 -9.005 -7.289 427 2HG LYS 57 HG1 LYS 57 -13.749 -10.565 -8.066 428 1HD LYS 57 HD2 LYS 57 -11.611 -10.717 -6.592 429 2HD LYS 57 HD1 LYS 57 -12.345 -9.418 -5.651 430 1HE LYS 57 HE2 LYS 57 -12.963 -11.554 -4.663 431 2HE LYS 57 HE1 LYS 57 -14.392 -10.811 -5.382 432 1HZ LYS 57 HZ1 LYS 57 -14.624 -12.534 -6.730 433 2HZ LYS 57 HZ2 LYS 57 -13.347 -13.315 -5.925 434 3HZ LYS 57 HZ3 LYS 57 -13.036 -12.375 -7.307 435 H GLU 58 HN GLU 58 -12.022 -6.398 -10.205 436 HA GLU 58 HA GLU 58 -9.393 -6.758 -11.232 437 1HB GLU 58 HB2 GLU 58 -11.400 -6.245 -12.621 438 2HB GLU 58 HB1 GLU 58 -11.424 -4.625 -11.924 439 1HG GLU 58 HG2 GLU 58 -9.164 -4.199 -12.796 440 2HG GLU 58 HG1 GLU 58 -9.107 -5.827 -13.470 441 H ASP 59 HN ASP 59 -10.920 -4.204 -9.307 442 HA ASP 59 HA ASP 59 -8.809 -2.336 -9.504 443 1HB ASP 59 HB2 ASP 59 -10.920 -2.795 -7.386 444 2HB ASP 59 HB1 ASP 59 -9.775 -1.457 -7.326 445 H LYS 60 HN LYS 60 -9.591 -4.914 -7.241 446 HA LYS 60 HA LYS 60 -7.392 -4.523 -5.492 447 1HB LYS 60 HB2 LYS 60 -9.363 -5.876 -4.847 448 2HB LYS 60 HB1 LYS 60 -8.939 -7.072 -6.071 449 1HG LYS 60 HG2 LYS 60 -6.790 -7.495 -4.914 450 2HG LYS 60 HG1 LYS 60 -7.218 -6.296 -3.693 451 1HD LYS 60 HD2 LYS 60 -9.102 -7.616 -2.960 452 2HD LYS 60 HD1 LYS 60 -8.902 -8.736 -4.309 453 1HE LYS 60 HE2 LYS 60 -7.958 -9.704 -2.256 454 2HE LYS 60 HE1 LYS 60 -6.679 -9.388 -3.427 455 1HZ LYS 60 HZ1 LYS 60 -7.090 -7.085 -1.874 456 2HZ LYS 60 HZ2 LYS 60 -5.701 -8.058 -1.977 457 3HZ LYS 60 HZ3 LYS 60 -6.904 -8.408 -0.828 458 H GLN 61 HN GLN 61 -7.608 -6.528 -8.459 459 HA GLN 61 HA GLN 61 -5.030 -7.684 -8.077 460 1HB GLN 61 HB2 GLN 61 -6.650 -7.110 -10.579 461 2HB GLN 61 HB1 GLN 61 -5.118 -7.978 -10.596 462 1HG GLN 61 HG2 GLN 61 -6.058 -9.689 -9.094 463 2HG GLN 61 HG1 GLN 61 -7.588 -8.813 -9.045 464 1HE2 GLN 61 HE21 GLN 61 -7.188 -11.557 -10.109 465 2HE2 GLN 61 HE22 GLN 61 -7.630 -11.496 -11.746 466 H ARG 62 HN ARG 62 -6.178 -4.691 -9.685 467 HA ARG 62 HA ARG 62 -3.684 -3.924 -10.684 468 1HB ARG 62 HB2 ARG 62 -5.793 -2.869 -11.413 469 2HB ARG 62 HB1 ARG 62 -6.012 -2.184 -9.807 470 1HG ARG 62 HG2 ARG 62 -5.115 -0.450 -11.218 471 2HG ARG 62 HG1 ARG 62 -3.831 -0.945 -10.126 472 1HD ARG 62 HD2 ARG 62 -2.741 -2.218 -11.842 473 2HD ARG 62 HD1 ARG 62 -4.138 -2.097 -12.908 474 HE ARG 62 HE ARG 62 -3.380 0.507 -12.446 475 1HH1 ARG 62 HH11 ARG 62 -2.216 -2.335 -14.003 476 2HH1 ARG 62 HH12 ARG 62 -0.950 -1.522 -14.862 477 1HH2 ARG 62 HH21 ARG 62 -1.568 1.558 -13.395 478 2HH2 ARG 62 HH22 ARG 62 -0.580 0.680 -14.514 479 H ILE 63 HN ILE 63 -5.254 -3.180 -7.597 480 HA ILE 63 HA ILE 63 -3.180 -1.542 -6.618 481 HB ILE 63 HB ILE 63 -5.181 -3.226 -5.134 482 1HG1 ILE 63 HG12 ILE 63 -5.029 -0.220 -5.385 483 2HG1 ILE 63 HG11 ILE 63 -5.936 -1.217 -6.522 484 1HG2 ILE 63 HG21 ILE 63 -3.374 -2.960 -3.600 485 2HG2 ILE 63 HG22 ILE 63 -4.536 -1.702 -3.178 486 3HG2 ILE 63 HG23 ILE 63 -3.097 -1.295 -4.112 487 1HD1 ILE 63 HD11 ILE 63 -7.344 -0.324 -4.649 488 2HD1 ILE 63 HD12 ILE 63 -6.356 -1.252 -3.521 489 3HD1 ILE 63 HD13 ILE 63 -7.330 -2.086 -4.733 490 H SER 64 HN SER 64 -3.600 -5.032 -6.419 491 HA SER 64 HA SER 64 -1.314 -5.519 -4.807 492 1HB SER 64 HB2 SER 64 -3.029 -7.258 -5.402 493 2HB SER 64 HB1 SER 64 -2.392 -7.264 -7.044 494 HG SER 64 HG SER 64 -0.298 -7.526 -5.581 495 H GLU 65 HN GLU 65 -1.739 -5.203 -8.390 496 HA GLU 65 HA GLU 65 0.949 -5.709 -9.025 497 1HB GLU 65 HB2 GLU 65 -1.157 -4.053 -10.449 498 2HB GLU 65 HB1 GLU 65 0.437 -4.391 -11.128 499 1HG GLU 65 HG2 GLU 65 -1.471 -6.550 -10.200 500 2HG GLU 65 HG1 GLU 65 -1.374 -5.991 -11.869 501 H ILE 66 HN ILE 66 -0.727 -2.699 -8.203 502 HA ILE 66 HA ILE 66 1.427 -0.952 -8.629 503 HB ILE 66 HB ILE 66 -0.916 -0.811 -6.730 504 1HG1 ILE 66 HG12 ILE 66 -0.306 0.715 -9.279 505 2HG1 ILE 66 HG11 ILE 66 -1.279 -0.753 -9.235 506 1HG2 ILE 66 HG21 ILE 66 1.268 1.204 -7.300 507 2HG2 ILE 66 HG22 ILE 66 0.736 0.598 -5.730 508 3HG2 ILE 66 HG23 ILE 66 -0.308 1.661 -6.660 509 1HD1 ILE 66 HD11 ILE 66 -1.981 1.557 -7.430 510 2HD1 ILE 66 HD12 ILE 66 -3.022 0.284 -8.062 511 3HD1 ILE 66 HD13 ILE 66 -2.475 1.578 -9.122 512 H LEU 67 HN LEU 67 0.429 -2.693 -5.709 513 HA LEU 67 HA LEU 67 2.435 -1.680 -4.019 514 1HB LEU 67 HB2 LEU 67 0.576 -2.889 -3.036 515 2HB LEU 67 HB1 LEU 67 0.936 -4.318 -3.993 516 HG LEU 67 HG LEU 67 3.159 -4.483 -2.782 517 1HD1 LEU 67 HD11 LEU 67 1.946 -2.153 -1.296 518 2HD1 LEU 67 HD12 LEU 67 3.598 -2.348 -1.887 519 3HD1 LEU 67 HD13 LEU 67 3.055 -3.248 -0.477 520 1HD2 LEU 67 HD21 LEU 67 1.432 -5.950 -2.068 521 2HD2 LEU 67 HD22 LEU 67 0.535 -4.647 -1.290 522 3HD2 LEU 67 HD23 LEU 67 2.051 -5.215 -0.590 523 H GLN 68 HN GLN 68 2.376 -4.437 -6.215 524 HA GLN 68 HA GLN 68 4.952 -5.420 -5.530 525 1HB GLN 68 HB2 GLN 68 3.338 -5.589 -8.085 526 2HB GLN 68 HB1 GLN 68 4.875 -6.423 -7.845 527 1HG GLN 68 HG2 GLN 68 3.984 -7.683 -5.992 528 2HG GLN 68 HG1 GLN 68 2.505 -6.727 -5.987 529 1HE2 GLN 68 HE21 GLN 68 2.180 -9.460 -6.226 530 2HE2 GLN 68 HE22 GLN 68 1.740 -9.869 -7.813 531 H GLU 69 HN GLU 69 3.978 -3.193 -8.202 532 HA GLU 69 HA GLU 69 6.576 -2.773 -9.121 533 1HB GLU 69 HB2 GLU 69 4.100 -1.061 -9.277 534 2HB GLU 69 HB1 GLU 69 5.604 -0.650 -10.102 535 1HG GLU 69 HG2 GLU 69 5.558 -2.816 -11.277 536 2HG GLU 69 HG1 GLU 69 4.054 -3.233 -10.455 537 H THR 70 HN THR 70 4.771 -0.808 -6.727 538 HA THR 70 HA THR 70 6.716 1.199 -6.443 539 HB THR 70 HB THR 70 4.830 0.128 -4.374 540 HG1 THR 70 HG1 THR 70 4.008 0.969 -6.441 541 1HG2 THR 70 HG21 THR 70 6.399 2.701 -4.558 542 2HG2 THR 70 HG22 THR 70 6.536 1.463 -3.310 543 3HG2 THR 70 HG23 THR 70 5.074 2.444 -3.423 544 H TRP 71 HN TRP 71 6.185 -1.777 -4.736 545 HA TRP 71 HA TRP 71 8.265 -1.656 -2.929 546 1HB TRP 71 HB2 TRP 71 6.290 -3.156 -2.906 547 2HB TRP 71 HB1 TRP 71 7.026 -4.065 -4.212 548 HD1 TRP 71 HD1 TRP 71 7.709 -6.264 -3.186 549 HE1 TRP 71 HE1 TRP 71 9.071 -7.027 -1.148 550 HE3 TRP 71 HE3 TRP 71 8.430 -1.758 -0.787 551 HZ2 TRP 71 HZ2 TRP 71 10.283 -5.924 1.170 552 HZ3 TRP 71 HZ3 TRP 71 9.685 -1.681 1.327 553 HH2 TRP 71 HH2 TRP 71 10.605 -3.753 2.320 554 H GLU 72 HN GLU 72 8.200 -2.855 -6.224 555 HA GLU 72 HA GLU 72 10.896 -3.792 -6.164 556 1HB GLU 72 HB2 GLU 72 8.965 -3.335 -8.441 557 2HB GLU 72 HB1 GLU 72 10.606 -3.934 -8.689 558 1HG GLU 72 HG2 GLU 72 10.152 -5.829 -7.182 559 2HG GLU 72 HG1 GLU 72 8.517 -5.236 -6.917 560 H SER 73 HN SER 73 9.554 -0.614 -6.623 561 HA SER 73 HA SER 73 12.091 0.273 -7.879 562 1HB SER 73 HB2 SER 73 10.908 2.298 -8.515 563 2HB SER 73 HB1 SER 73 9.951 0.907 -9.017 564 HG SER 73 HG SER 73 9.152 2.875 -7.533 565 H ALA 74 HN ALA 74 11.490 -0.372 -4.961 566 HA ALA 74 HA ALA 74 11.311 1.770 -3.340 567 1HB ALA 74 HB1 ALA 74 12.322 0.427 -1.669 568 2HB ALA 74 HB2 ALA 74 13.151 -0.554 -2.877 569 3HB ALA 74 HB3 ALA 74 11.396 -0.634 -2.729 570 H ASP 75 HN ASP 75 14.320 0.693 -4.913 571 HA ASP 75 HA ASP 75 16.073 2.299 -3.399 572 1HB ASP 75 HB2 ASP 75 16.277 1.179 -6.198 573 2HB ASP 75 HB1 ASP 75 17.599 2.035 -5.404 574 H ASP 76 HN ASP 76 13.869 3.124 -5.947 575 HA ASP 76 HA ASP 76 15.227 5.663 -6.555 576 1HB ASP 76 HB2 ASP 76 14.335 4.383 -8.420 577 2HB ASP 76 HB1 ASP 76 12.735 4.386 -7.685 578 H TRP 77 HN TRP 77 12.072 4.596 -5.188 579 HA TRP 77 HA TRP 77 11.455 7.413 -4.630 580 1HB TRP 77 HB2 TRP 77 9.243 6.777 -4.297 581 2HB TRP 77 HB1 TRP 77 9.812 5.817 -5.644 582 HD1 TRP 77 HD1 TRP 77 9.753 3.195 -5.384 583 HE1 TRP 77 HE1 TRP 77 8.953 1.618 -3.532 584 HE3 TRP 77 HE3 TRP 77 9.195 6.528 -1.453 585 HZ2 TRP 77 HZ2 TRP 77 8.178 1.708 -0.804 586 HZ3 TRP 77 HZ3 TRP 77 8.410 5.701 0.714 587 HH2 TRP 77 HH2 TRP 77 7.902 3.320 1.049 588 H PHE 78 HN PHE 78 12.590 4.681 -2.768 589 HA PHE 78 HA PHE 78 11.721 5.943 -0.240 590 1HB PHE 78 HB2 PHE 78 11.576 3.574 -0.175 591 2HB PHE 78 HB1 PHE 78 13.211 3.385 -0.788 592 HD1 PHE 78 HD1 PHE 78 15.172 3.782 0.620 593 HD2 PHE 78 HD2 PHE 78 11.195 4.390 2.157 594 HE1 PHE 78 HE1 PHE 78 16.080 3.956 2.905 595 HE2 PHE 78 HE2 PHE 78 12.120 4.559 4.448 596 HZ PHE 78 HZ PHE 78 14.559 4.341 4.827 597 H VAL 79 HN VAL 79 12.904 7.316 0.851 598 HA VAL 79 HA VAL 79 15.779 7.591 0.199 599 HB VAL 79 HB VAL 79 14.031 9.876 1.118 600 1HG1 VAL 79 HG11 VAL 79 15.695 11.232 0.087 601 2HG1 VAL 79 HG12 VAL 79 16.372 9.866 -0.798 602 3HG1 VAL 79 HG13 VAL 79 16.586 9.980 0.949 603 1HG2 VAL 79 HG21 VAL 79 12.801 8.988 -0.773 604 2HG2 VAL 79 HG22 VAL 79 14.290 8.773 -1.699 605 3HG2 VAL 79 HG23 VAL 79 13.705 10.396 -1.341 606 H SER 80 HN SER 80 17.186 7.779 2.073 607 HA SER 80 HA SER 80 15.832 7.836 4.718 608 1HB SER 80 HB2 SER 80 17.823 6.361 5.425 609 2HB SER 80 HB1 SER 80 16.573 5.577 4.463 610 HG SER 80 HG SER 80 18.942 6.750 3.420 611 H GLU 81 HN GLU 81 16.697 9.115 6.219 612 HA GLU 81 HA GLU 81 18.405 11.239 5.457 613 1HB GLU 81 HB2 GLU 81 17.657 10.270 8.227 614 2HB GLU 81 HB1 GLU 81 18.385 11.833 7.849 615 1HG GLU 81 HG2 GLU 81 16.444 12.394 6.429 616 2HG GLU 81 HG1 GLU 81 15.716 10.835 6.810 Start of MODEL 11 1 1H MET 1 HT1 MET 1 -14.339 3.719 -1.383 2 2H MET 1 HT2 MET 1 -12.897 4.578 -1.116 3 3H MET 1 HT3 MET 1 -13.913 4.188 0.189 4 HA MET 1 HA MET 1 -13.512 1.789 -0.304 5 1HB MET 1 HB2 MET 1 -11.399 3.011 -2.099 6 2HB MET 1 HB1 MET 1 -11.528 1.300 -1.694 7 1HG MET 1 HG2 MET 1 -13.932 1.444 -2.604 8 2HG MET 1 HG1 MET 1 -13.445 2.982 -3.309 9 1HE MET 1 HE1 MET 1 -11.118 3.220 -4.413 10 2HE MET 1 HE2 MET 1 -10.390 2.020 -5.477 11 3HE MET 1 HE3 MET 1 -10.126 1.917 -3.739 12 H ARG 2 HN ARG 2 -12.110 0.862 1.201 13 HA ARG 2 HA ARG 2 -10.096 2.663 2.428 14 1HB ARG 2 HB2 ARG 2 -11.948 0.685 3.790 15 2HB ARG 2 HB1 ARG 2 -10.537 1.392 4.577 16 1HG ARG 2 HG2 ARG 2 -11.448 3.656 4.172 17 2HG ARG 2 HG1 ARG 2 -12.867 2.942 3.406 18 1HD ARG 2 HD2 ARG 2 -13.343 1.716 5.531 19 2HD ARG 2 HD1 ARG 2 -11.991 2.558 6.282 20 HE ARG 2 HE ARG 2 -13.680 4.507 5.197 21 1HH1 ARG 2 HH21 ARG 2 -14.842 1.837 6.844 22 2HH1 ARG 2 HH22 ARG 2 -15.500 2.708 8.189 23 1HH2 ARG 2 HH11 ARG 2 -14.060 5.729 7.275 24 2HH2 ARG 2 HH12 ARG 2 -15.054 4.912 8.434 25 H ILE 3 HN ILE 3 -8.104 1.890 2.508 26 HA ILE 3 HA ILE 3 -7.643 -0.970 1.815 27 HB ILE 3 HB ILE 3 -5.977 1.475 1.182 28 1HG1 ILE 3 HG12 ILE 3 -6.428 0.426 -1.206 29 2HG1 ILE 3 HG11 ILE 3 -7.793 -0.350 -0.412 30 1HG2 ILE 3 HG21 ILE 3 -4.635 -0.276 -0.117 31 2HG2 ILE 3 HG22 ILE 3 -5.480 -1.486 0.847 32 3HG2 ILE 3 HG23 ILE 3 -4.449 -0.293 1.636 33 1HD1 ILE 3 HD11 ILE 3 -8.844 1.717 0.044 34 2HD1 ILE 3 HD12 ILE 3 -8.194 1.925 -1.574 35 3HD1 ILE 3 HD13 ILE 3 -7.360 2.636 -0.198 36 H GLU 4 HN GLU 4 -6.689 -2.092 3.429 37 HA GLU 4 HA GLU 4 -4.996 -0.624 5.397 38 1HB GLU 4 HB2 GLU 4 -6.826 -2.978 5.965 39 2HB GLU 4 HB1 GLU 4 -5.746 -2.208 7.127 40 1HG GLU 4 HG2 GLU 4 -6.934 -0.068 6.818 41 2HG GLU 4 HG1 GLU 4 -8.015 -0.835 5.657 42 H VAL 5 HN VAL 5 -3.005 -1.308 5.623 43 HA VAL 5 HA VAL 5 -2.256 -3.980 4.539 44 HB VAL 5 HB VAL 5 -0.508 -1.521 4.657 45 1HG1 VAL 5 HG11 VAL 5 -0.281 -4.204 3.273 46 2HG1 VAL 5 HG12 VAL 5 0.749 -3.581 4.560 47 3HG1 VAL 5 HG13 VAL 5 0.795 -2.843 2.960 48 1HG2 VAL 5 HG21 VAL 5 -2.257 -0.948 3.146 49 2HG2 VAL 5 HG22 VAL 5 -2.314 -2.575 2.475 50 3HG2 VAL 5 HG23 VAL 5 -0.941 -1.526 2.127 51 H THR 6 HN THR 6 -1.156 -5.340 5.801 52 HA THR 6 HA THR 6 -0.109 -4.335 8.390 53 HB THR 6 HB THR 6 -0.799 -6.354 9.432 54 HG1 THR 6 HG1 THR 6 -0.293 -7.700 7.626 55 1HG2 THR 6 HG21 THR 6 -2.587 -4.677 9.068 56 2HG2 THR 6 HG22 THR 6 -3.228 -6.321 9.086 57 3HG2 THR 6 HG23 THR 6 -3.007 -5.476 7.553 58 H ILE 7 HN ILE 7 1.891 -4.795 8.890 59 HA ILE 7 HA ILE 7 3.434 -6.644 7.171 60 HB ILE 7 HB ILE 7 4.073 -4.036 8.524 61 1HG1 ILE 7 HG12 ILE 7 3.184 -4.340 6.068 62 2HG1 ILE 7 HG11 ILE 7 4.507 -3.221 6.376 63 1HG2 ILE 7 HG21 ILE 7 5.960 -6.271 7.794 64 2HG2 ILE 7 HG22 ILE 7 6.020 -5.160 9.162 65 3HG2 ILE 7 HG23 ILE 7 6.496 -4.604 7.559 66 1HD1 ILE 7 HD11 ILE 7 5.106 -6.086 5.653 67 2HD1 ILE 7 HD12 ILE 7 6.115 -4.657 5.451 68 3HD1 ILE 7 HD13 ILE 7 4.726 -4.909 4.395 69 H ALA 8 HN ALA 8 4.428 -8.326 8.168 70 HA ALA 8 HA ALA 8 3.868 -8.968 10.864 71 1HB ALA 8 HB1 ALA 8 5.557 -10.801 10.447 72 2HB ALA 8 HB2 ALA 8 5.813 -10.092 8.851 73 3HB ALA 8 HB3 ALA 8 4.227 -10.727 9.290 74 H LYS 9 HN LYS 9 4.887 -8.717 12.594 75 HA LYS 9 HA LYS 9 6.889 -6.789 12.959 76 1HB LYS 9 HB2 LYS 9 5.776 -8.937 14.778 77 2HB LYS 9 HB1 LYS 9 7.009 -7.822 15.354 78 1HG LYS 9 HG2 LYS 9 5.457 -5.918 14.903 79 2HG LYS 9 HG1 LYS 9 4.233 -7.066 14.354 80 1HD LYS 9 HD2 LYS 9 5.503 -7.179 17.099 81 2HD LYS 9 HD1 LYS 9 4.011 -6.304 16.767 82 1HE LYS 9 HE2 LYS 9 3.206 -8.584 15.738 83 2HE LYS 9 HE1 LYS 9 4.518 -9.271 16.695 84 1HZ LYS 9 HZ1 LYS 9 3.251 -9.130 18.479 85 2HZ LYS 9 HZ2 LYS 9 1.984 -8.474 17.556 86 3HZ LYS 9 HZ3 LYS 9 3.123 -7.449 18.291 87 H THR 10 HN THR 10 7.211 -10.192 12.339 88 HA THR 10 HA THR 10 9.828 -10.530 13.354 89 HB THR 10 HB THR 10 9.919 -12.380 11.608 90 HG1 THR 10 HG1 THR 10 7.282 -11.423 11.207 91 1HG2 THR 10 HG21 THR 10 7.667 -12.178 13.616 92 2HG2 THR 10 HG22 THR 10 9.245 -12.935 13.834 93 3HG2 THR 10 HG23 THR 10 8.054 -13.670 12.760 94 H SER 11 HN SER 11 8.604 -8.659 10.774 95 HA SER 11 HA SER 11 11.309 -8.429 9.549 96 1HB SER 11 HB2 SER 11 9.698 -9.521 8.035 97 2HB SER 11 HB1 SER 11 8.617 -8.140 8.194 98 HG SER 11 HG SER 11 11.151 -7.388 7.578 99 HA PRO 12 HA PRO 12 10.079 -4.195 11.096 100 1HB PRO 12 HB2 PRO 12 12.728 -3.941 12.209 101 2HB PRO 12 HB1 PRO 12 11.196 -4.075 13.090 102 1HG PRO 12 HG2 PRO 12 13.189 -5.991 13.093 103 2HG PRO 12 HG1 PRO 12 11.490 -6.294 13.490 104 1HD PRO 12 HD2 PRO 12 12.962 -6.874 10.942 105 2HD PRO 12 HD1 PRO 12 11.662 -7.784 11.734 106 H LEU 13 HN LEU 13 10.214 -2.425 10.071 107 HA LEU 13 HA LEU 13 12.381 -2.114 8.074 108 1HB LEU 13 HB2 LEU 13 9.727 -0.668 8.104 109 2HB LEU 13 HB1 LEU 13 10.860 -0.825 6.763 110 HG LEU 13 HG LEU 13 9.248 -3.073 8.019 111 1HD1 LEU 13 HD11 LEU 13 8.088 -1.418 6.422 112 2HD1 LEU 13 HD12 LEU 13 7.986 -3.127 6.009 113 3HD1 LEU 13 HD13 LEU 13 9.129 -2.086 5.162 114 1HD2 LEU 13 HD21 LEU 13 11.393 -3.070 5.878 115 2HD2 LEU 13 HD22 LEU 13 10.210 -4.369 6.019 116 3HD2 LEU 13 HD23 LEU 13 11.321 -4.046 7.345 117 HA PRO 14 HA PRO 14 14.103 1.107 10.471 118 1HB PRO 14 HB2 PRO 14 14.256 3.134 8.388 119 2HB PRO 14 HB1 PRO 14 15.563 2.131 9.036 120 1HG PRO 14 HG2 PRO 14 14.062 1.819 6.550 121 2HG PRO 14 HG1 PRO 14 15.570 1.040 7.051 122 1HD PRO 14 HD2 PRO 14 13.116 -0.261 6.843 123 2HD PRO 14 HD1 PRO 14 14.480 -0.840 7.819 124 H ALA 15 HN ALA 15 13.649 2.899 11.582 125 HA ALA 15 HA ALA 15 11.010 3.486 12.199 126 1HB ALA 15 HB1 ALA 15 12.985 3.851 13.645 127 2HB ALA 15 HB2 ALA 15 11.887 5.231 13.600 128 3HB ALA 15 HB3 ALA 15 13.391 5.269 12.679 129 H GLY 16 HN GLY 16 10.817 3.880 9.484 130 1HA GLY 16 HA2 GLY 16 9.727 6.504 9.287 131 2HA GLY 16 HA1 GLY 16 11.272 6.463 8.491 132 H ALA 17 HN ALA 17 10.681 3.491 7.970 133 HA ALA 17 HA ALA 17 9.821 3.888 5.281 134 1HB ALA 17 HB1 ALA 17 10.572 1.496 6.922 135 2HB ALA 17 HB2 ALA 17 11.374 2.157 5.500 136 3HB ALA 17 HB3 ALA 17 9.855 1.279 5.324 137 H ILE 18 HN ILE 18 8.017 2.506 8.001 138 HA ILE 18 HA ILE 18 5.884 1.644 6.394 139 HB ILE 18 HB ILE 18 5.988 2.558 9.270 140 1HG1 ILE 18 HG12 ILE 18 7.093 0.359 8.298 141 2HG1 ILE 18 HG11 ILE 18 6.195 0.296 9.804 142 1HG2 ILE 18 HG21 ILE 18 3.728 2.953 8.751 143 2HG2 ILE 18 HG22 ILE 18 3.718 1.302 9.375 144 3HG2 ILE 18 HG23 ILE 18 3.652 1.588 7.636 145 1HD1 ILE 18 HD11 ILE 18 4.374 -0.794 8.843 146 2HD1 ILE 18 HD12 ILE 18 5.713 -1.481 7.925 147 3HD1 ILE 18 HD13 ILE 18 4.736 -0.194 7.225 148 H ASP 19 HN ASP 19 6.371 4.725 8.118 149 HA ASP 19 HA ASP 19 3.988 5.941 7.158 150 1HB ASP 19 HB2 ASP 19 6.598 7.153 8.120 151 2HB ASP 19 HB1 ASP 19 5.177 8.110 7.700 152 H ALA 20 HN ALA 20 7.245 5.744 5.802 153 HA ALA 20 HA ALA 20 6.683 7.492 3.666 154 1HB ALA 20 HB1 ALA 20 8.975 6.572 4.479 155 2HB ALA 20 HB2 ALA 20 8.745 6.828 2.752 156 3HB ALA 20 HB3 ALA 20 8.630 5.203 3.427 157 H LEU 21 HN LEU 21 6.296 4.013 4.076 158 HA LEU 21 HA LEU 21 5.566 3.349 1.468 159 1HB LEU 21 HB2 LEU 21 6.225 1.649 3.025 160 2HB LEU 21 HB1 LEU 21 4.953 2.101 4.152 161 HG LEU 21 HG LEU 21 3.262 1.381 2.518 162 1HD1 LEU 21 HD11 LEU 21 4.323 1.706 0.401 163 2HD1 LEU 21 HD12 LEU 21 4.147 -0.038 0.569 164 3HD1 LEU 21 HD13 LEU 21 5.708 0.722 0.871 165 1HD2 LEU 21 HD21 LEU 21 4.329 -0.186 4.215 166 2HD2 LEU 21 HD22 LEU 21 5.315 -0.802 2.888 167 3HD2 LEU 21 HD23 LEU 21 3.560 -0.970 2.834 168 H ALA 22 HN ALA 22 3.544 4.163 4.289 169 HA ALA 22 HA ALA 22 1.012 3.883 3.022 170 1HB ALA 22 HB1 ALA 22 1.582 5.892 5.194 171 2HB ALA 22 HB2 ALA 22 1.545 4.163 5.545 172 3HB ALA 22 HB3 ALA 22 0.109 4.965 4.909 173 H GLY 23 HN GLY 23 3.180 6.688 3.245 174 1HA GLY 23 HA2 GLY 23 1.364 8.494 1.955 175 2HA GLY 23 HA1 GLY 23 3.125 8.661 2.157 176 H GLU 24 HN GLU 24 3.984 6.402 0.671 177 HA GLU 24 HA GLU 24 3.646 7.393 -1.955 178 1HB GLU 24 HB2 GLU 24 5.664 6.117 -1.251 179 2HB GLU 24 HB1 GLU 24 4.680 4.665 -1.087 180 1HG GLU 24 HG2 GLU 24 4.081 4.805 -3.491 181 2HG GLU 24 HG1 GLU 24 5.085 6.247 -3.648 182 H LEU 25 HN LEU 25 2.150 4.677 -0.235 183 HA LEU 25 HA LEU 25 0.799 3.644 -2.483 184 1HB LEU 25 HB2 LEU 25 0.239 3.399 0.462 185 2HB LEU 25 HB1 LEU 25 -0.741 2.590 -0.758 186 HG LEU 25 HG LEU 25 2.273 2.285 -0.544 187 1HD1 LEU 25 HD11 LEU 25 0.077 0.450 0.468 188 2HD1 LEU 25 HD12 LEU 25 1.158 1.409 1.477 189 3HD1 LEU 25 HD13 LEU 25 1.803 0.095 0.494 190 1HD2 LEU 25 HD21 LEU 25 0.133 1.094 -2.296 191 2HD2 LEU 25 HD22 LEU 25 1.487 0.066 -1.832 192 3HD2 LEU 25 HD23 LEU 25 1.782 1.561 -2.707 193 H SER 26 HN SER 26 -0.242 6.063 -0.091 194 HA SER 26 HA SER 26 -2.912 6.253 -0.987 195 1HB SER 26 HB2 SER 26 -1.143 8.328 0.318 196 2HB SER 26 HB1 SER 26 -2.879 8.508 0.077 197 HG SER 26 HG SER 26 -2.610 6.172 1.153 198 H ARG 27 HN ARG 27 0.011 8.066 -1.983 199 HA ARG 27 HA ARG 27 -1.320 9.785 -3.802 200 1HB ARG 27 HB2 ARG 27 1.518 8.714 -3.751 201 2HB ARG 27 HB1 ARG 27 0.959 9.932 -4.899 202 1HG ARG 27 HG2 ARG 27 0.336 11.418 -3.034 203 2HG ARG 27 HG1 ARG 27 0.872 10.202 -1.875 204 1HD ARG 27 HD2 ARG 27 3.159 10.335 -2.788 205 2HD ARG 27 HD1 ARG 27 2.628 11.540 -3.957 206 HE ARG 27 HE ARG 27 1.932 12.571 -1.489 207 1HH1 ARG 27 HH21 ARG 27 4.598 12.279 -3.574 208 2HH1 ARG 27 HH22 ARG 27 5.745 12.977 -2.481 209 1HH2 ARG 27 HH11 ARG 27 3.525 13.128 0.176 210 2HH2 ARG 27 HH12 ARG 27 5.140 13.455 -0.359 211 H ARG 28 HN ARG 28 0.014 6.526 -4.145 212 HA ARG 28 HA ARG 28 -0.410 6.241 -6.925 213 1HB ARG 28 HB2 ARG 28 -0.289 4.224 -4.679 214 2HB ARG 28 HB1 ARG 28 -0.411 3.768 -6.374 215 1HG ARG 28 HG2 ARG 28 1.754 5.671 -5.488 216 2HG ARG 28 HG1 ARG 28 1.962 3.939 -5.253 217 1HD ARG 28 HD2 ARG 28 1.522 3.600 -7.692 218 2HD ARG 28 HD1 ARG 28 1.462 5.347 -7.895 219 HE ARG 28 HE ARG 28 3.878 4.621 -6.600 220 1HH1 ARG 28 HH11 ARG 28 2.733 5.920 -9.420 221 2HH1 ARG 28 HH12 ARG 28 3.977 5.305 -10.456 222 1HH2 ARG 28 HH21 ARG 28 5.305 3.191 -8.049 223 2HH2 ARG 28 HH22 ARG 28 5.430 3.755 -9.682 224 H ILE 29 HN ILE 29 -2.471 5.570 -4.133 225 HA ILE 29 HA ILE 29 -4.587 4.315 -5.521 226 HB ILE 29 HB ILE 29 -4.544 5.818 -2.901 227 1HG1 ILE 29 HG12 ILE 29 -3.230 3.554 -3.371 228 2HG1 ILE 29 HG11 ILE 29 -4.129 3.763 -1.874 229 1HG2 ILE 29 HG21 ILE 29 -6.738 4.239 -4.257 230 2HG2 ILE 29 HG22 ILE 29 -6.822 5.862 -3.571 231 3HG2 ILE 29 HG23 ILE 29 -6.695 4.461 -2.508 232 1HD1 ILE 29 HD11 ILE 29 -5.853 2.340 -2.556 233 2HD1 ILE 29 HD12 ILE 29 -4.441 1.564 -3.274 234 3HD1 ILE 29 HD13 ILE 29 -5.500 2.562 -4.269 235 H GLN 30 HN GLN 30 -4.100 7.684 -4.553 236 HA GLN 30 HA GLN 30 -6.613 8.651 -5.525 237 1HB GLN 30 HB2 GLN 30 -4.002 10.073 -4.962 238 2HB GLN 30 HB1 GLN 30 -5.451 10.908 -5.512 239 1HG GLN 30 HG2 GLN 30 -6.672 10.260 -3.533 240 2HG GLN 30 HG1 GLN 30 -5.383 9.176 -3.018 241 1HE2 GLN 30 HE21 GLN 30 -6.210 11.218 -1.265 242 2HE2 GLN 30 HE22 GLN 30 -4.990 12.394 -1.160 243 H TYR 31 HN TYR 31 -3.438 8.414 -7.185 244 HA TYR 31 HA TYR 31 -4.362 9.792 -9.483 245 1HB TYR 31 HB2 TYR 31 -1.955 9.451 -9.108 246 2HB TYR 31 HB1 TYR 31 -2.170 7.706 -9.250 247 HD1 TYR 31 HD1 TYR 31 -2.772 6.675 -11.413 248 HD2 TYR 31 HD2 TYR 31 -2.019 10.892 -11.070 249 HE1 TYR 31 HE1 TYR 31 -2.572 6.840 -13.880 250 HE2 TYR 31 HE2 TYR 31 -1.820 11.056 -13.538 251 HH TYR 31 HH TYR 31 -1.141 9.093 -15.463 252 H ALA 32 HN ALA 32 -4.409 6.390 -8.551 253 HA ALA 32 HA ALA 32 -5.356 5.430 -11.047 254 1HB ALA 32 HB1 ALA 32 -5.956 3.392 -9.688 255 2HB ALA 32 HB2 ALA 32 -5.404 4.273 -8.263 256 3HB ALA 32 HB3 ALA 32 -4.274 3.909 -9.567 257 H PHE 33 HN PHE 33 -6.946 6.447 -8.064 258 HA PHE 33 HA PHE 33 -9.600 6.189 -9.388 259 1HB PHE 33 HB2 PHE 33 -8.919 5.940 -6.454 260 2HB PHE 33 HB1 PHE 33 -10.536 5.844 -7.152 261 HD1 PHE 33 HD1 PHE 33 -7.283 4.153 -6.810 262 HD2 PHE 33 HD2 PHE 33 -11.219 3.930 -8.519 263 HE1 PHE 33 HE1 PHE 33 -6.928 1.752 -7.318 264 HE2 PHE 33 HE2 PHE 33 -10.863 1.527 -9.022 265 HZ PHE 33 HZ PHE 33 -8.718 0.438 -8.421 266 HA PRO 34 HA PRO 34 -8.947 10.685 -8.513 267 1HB PRO 34 HB2 PRO 34 -10.503 11.265 -10.882 268 2HB PRO 34 HB1 PRO 34 -8.784 11.555 -10.588 269 1HG PRO 34 HG2 PRO 34 -9.850 9.672 -12.348 270 2HG PRO 34 HG1 PRO 34 -8.180 9.724 -11.764 271 1HD PRO 34 HD2 PRO 34 -10.390 7.913 -10.954 272 2HD PRO 34 HD1 PRO 34 -8.632 7.670 -10.857 273 H ASP 35 HN ASP 35 -11.776 8.828 -9.310 274 HA ASP 35 HA ASP 35 -13.667 10.853 -8.420 275 1HB ASP 35 HB2 ASP 35 -14.016 8.097 -9.585 276 2HB ASP 35 HB1 ASP 35 -15.349 9.162 -9.137 277 H ASN 36 HN ASN 36 -11.997 8.278 -6.801 278 HA ASN 36 HA ASN 36 -14.206 8.132 -4.817 279 1HB ASN 36 HB2 ASN 36 -13.982 6.046 -5.994 280 2HB ASN 36 HB1 ASN 36 -12.268 5.970 -5.591 281 1HD2 ASN 36 HD21 ASN 36 -15.523 6.013 -4.072 282 2HD2 ASN 36 HD22 ASN 36 -15.037 5.207 -2.660 283 H GLU 37 HN GLU 37 -13.590 8.735 -2.655 284 HA GLU 37 HA GLU 37 -11.046 9.644 -1.978 285 1HB GLU 37 HB2 GLU 37 -13.130 10.217 -0.853 286 2HB GLU 37 HB1 GLU 37 -13.320 8.553 -0.320 287 1HG GLU 37 HG2 GLU 37 -11.232 8.738 1.009 288 2HG GLU 37 HG1 GLU 37 -11.039 10.412 0.483 289 H GLY 38 HN GLY 38 -9.244 8.398 -1.579 290 1HA GLY 38 HA2 GLY 38 -9.576 5.518 -0.833 291 2HA GLY 38 HA1 GLY 38 -8.228 6.051 -1.589 292 H HIS 39 HN HIS 39 -9.065 5.056 1.436 293 HA HIS 39 HA HIS 39 -7.169 6.925 2.713 294 1HB HIS 39 HB2 HIS 39 -9.388 6.993 3.757 295 2HB HIS 39 HB1 HIS 39 -9.361 5.240 3.965 296 HD1 HIS 39 HD1 HIS 39 -6.886 8.040 4.795 297 HD2 HIS 39 HD2 HIS 39 -8.605 4.670 6.548 298 HE1 HIS 39 HE1 HIS 39 -5.893 7.856 7.118 299 H VAL 40 HN VAL 40 -5.216 5.956 3.202 300 HA VAL 40 HA VAL 40 -5.099 3.015 3.239 301 HB VAL 40 HB VAL 40 -2.920 5.019 2.630 302 1HG1 VAL 40 HG11 VAL 40 -3.156 2.017 2.343 303 2HG1 VAL 40 HG12 VAL 40 -2.019 2.907 3.355 304 3HG1 VAL 40 HG13 VAL 40 -1.876 2.972 1.600 305 1HG2 VAL 40 HG21 VAL 40 -4.751 3.435 0.798 306 2HG2 VAL 40 HG22 VAL 40 -3.327 4.321 0.259 307 3HG2 VAL 40 HG23 VAL 40 -4.694 5.190 0.959 308 H SER 41 HN SER 41 -4.453 2.033 5.014 309 HA SER 41 HA SER 41 -2.974 3.569 7.067 310 1HB SER 41 HB2 SER 41 -5.250 3.296 7.902 311 2HB SER 41 HB1 SER 41 -5.207 1.570 7.552 312 HG SER 41 HG SER 41 -3.733 3.038 9.473 313 H VAL 42 HN VAL 42 -1.304 2.569 8.053 314 HA VAL 42 HA VAL 42 -0.776 -0.252 7.337 315 HB VAL 42 HB VAL 42 1.366 1.883 7.364 316 1HG1 VAL 42 HG11 VAL 42 2.245 -0.324 7.766 317 2HG1 VAL 42 HG12 VAL 42 2.584 0.063 6.080 318 3HG1 VAL 42 HG13 VAL 42 1.251 -1.016 6.485 319 1HG2 VAL 42 HG21 VAL 42 -0.255 0.746 5.075 320 2HG2 VAL 42 HG22 VAL 42 1.299 1.542 4.837 321 3HG2 VAL 42 HG23 VAL 42 -0.057 2.440 5.517 322 H ARG 43 HN ARG 43 -0.246 -1.494 8.987 323 HA ARG 43 HA ARG 43 0.977 -0.332 11.369 324 1HB ARG 43 HB2 ARG 43 -0.751 -1.263 12.873 325 2HB ARG 43 HB1 ARG 43 -1.415 -0.042 11.787 326 1HG ARG 43 HG2 ARG 43 -2.204 -1.840 10.271 327 2HG ARG 43 HG1 ARG 43 -1.588 -3.046 11.399 328 1HD ARG 43 HD2 ARG 43 -3.071 -2.058 13.168 329 2HD ARG 43 HD1 ARG 43 -3.762 -1.005 11.936 330 HE ARG 43 HE ARG 43 -4.030 -3.529 10.893 331 1HH1 ARG 43 HH21 ARG 43 -5.981 -1.469 12.487 332 2HH1 ARG 43 HH22 ARG 43 -6.927 -2.647 13.336 333 1HH2 ARG 43 HH11 ARG 43 -4.809 -5.284 12.582 334 2HH2 ARG 43 HH12 ARG 43 -6.266 -4.804 13.387 335 H TYR 44 HN TYR 44 1.676 -2.030 12.927 336 HA TYR 44 HA TYR 44 2.577 -4.438 11.499 337 1HB TYR 44 HB2 TYR 44 3.077 -3.506 14.342 338 2HB TYR 44 HB1 TYR 44 3.768 -4.944 13.612 339 HD1 TYR 44 HD1 TYR 44 3.821 -1.272 13.680 340 HD2 TYR 44 HD2 TYR 44 5.486 -4.805 11.911 341 HE1 TYR 44 HE1 TYR 44 5.699 0.072 12.784 342 HE2 TYR 44 HE2 TYR 44 7.372 -3.471 11.005 343 HH TYR 44 HH TYR 44 8.474 -1.444 11.262 344 H ALA 45 HN ALA 45 1.959 -6.489 11.871 345 HA ALA 45 HA ALA 45 -0.046 -7.038 13.943 346 1HB ALA 45 HB1 ALA 45 -1.183 -6.477 11.717 347 2HB ALA 45 HB2 ALA 45 -1.587 -8.037 12.432 348 3HB ALA 45 HB3 ALA 45 -0.446 -7.953 11.091 349 H ALA 46 HN ALA 46 -0.359 -9.485 14.112 350 HA ALA 46 HA ALA 46 2.164 -10.704 14.374 351 1HB ALA 46 HB1 ALA 46 0.047 -11.385 15.599 352 2HB ALA 46 HB2 ALA 46 0.995 -12.725 14.955 353 3HB ALA 46 HB3 ALA 46 -0.462 -12.193 14.117 354 H ALA 47 HN ALA 47 0.024 -10.508 11.609 355 HA ALA 47 HA ALA 47 2.047 -12.019 10.077 356 1HB ALA 47 HB1 ALA 47 0.385 -13.338 8.955 357 2HB ALA 47 HB2 ALA 47 -0.924 -12.469 9.757 358 3HB ALA 47 HB3 ALA 47 0.136 -13.525 10.691 359 H ASN 48 HN ASN 48 2.170 -11.567 7.859 360 HA ASN 48 HA ASN 48 1.524 -8.864 7.078 361 1HB ASN 48 HB2 ASN 48 2.580 -9.441 4.997 362 2HB ASN 48 HB1 ASN 48 3.530 -10.162 6.294 363 1HD2 ASN 48 HD21 ASN 48 3.348 -11.102 3.473 364 2HD2 ASN 48 HD22 ASN 48 2.753 -12.689 3.552 365 H ASN 49 HN ASN 49 -0.352 -8.178 6.086 366 HA ASN 49 HA ASN 49 -1.956 -10.043 4.505 367 1HB ASN 49 HB2 ASN 49 -2.782 -10.397 6.794 368 2HB ASN 49 HB1 ASN 49 -3.070 -8.666 6.958 369 1HD2 ASN 49 HD21 ASN 49 -4.090 -11.545 5.078 370 2HD2 ASN 49 HD22 ASN 49 -5.609 -10.915 4.651 371 H LEU 50 HN LEU 50 -3.428 -8.989 3.104 372 HA LEU 50 HA LEU 50 -3.310 -6.025 3.021 373 1HB LEU 50 HB2 LEU 50 -1.948 -7.209 1.193 374 2HB LEU 50 HB1 LEU 50 -3.478 -7.862 0.611 375 HG LEU 50 HG LEU 50 -4.246 -5.316 0.680 376 1HD1 LEU 50 HD11 LEU 50 -1.918 -4.736 1.700 377 2HD1 LEU 50 HD12 LEU 50 -2.563 -3.698 0.434 378 3HD1 LEU 50 HD13 LEU 50 -1.325 -4.891 0.047 379 1HD2 LEU 50 HD21 LEU 50 -2.485 -6.578 -1.442 380 2HD2 LEU 50 HD22 LEU 50 -3.314 -5.041 -1.678 381 3HD2 LEU 50 HD23 LEU 50 -4.248 -6.509 -1.400 382 H SER 51 HN SER 51 -5.384 -5.205 3.256 383 HA SER 51 HA SER 51 -7.653 -6.932 2.417 384 1HB SER 51 HB2 SER 51 -7.494 -6.785 4.854 385 2HB SER 51 HB1 SER 51 -7.466 -5.027 4.760 386 HG SER 51 HG SER 51 -9.565 -6.613 4.851 387 H VAL 52 HN VAL 52 -9.034 -5.987 0.971 388 HA VAL 52 HA VAL 52 -8.994 -3.049 0.694 389 HB VAL 52 HB VAL 52 -9.322 -5.084 -1.533 390 1HG1 VAL 52 HG11 VAL 52 -9.387 -2.048 -1.519 391 2HG1 VAL 52 HG12 VAL 52 -10.725 -3.123 -1.924 392 3HG1 VAL 52 HG13 VAL 52 -9.316 -3.035 -2.979 393 1HG2 VAL 52 HG21 VAL 52 -6.996 -4.915 -0.949 394 2HG2 VAL 52 HG22 VAL 52 -7.105 -3.164 -0.771 395 3HG2 VAL 52 HG23 VAL 52 -7.227 -3.897 -2.370 396 H ILE 53 HN ILE 53 -10.965 -2.153 1.072 397 HA ILE 53 HA ILE 53 -13.372 -3.885 0.847 398 HB ILE 53 HB ILE 53 -12.810 -1.622 2.776 399 1HG1 ILE 53 HG12 ILE 53 -11.726 -4.049 3.041 400 2HG1 ILE 53 HG11 ILE 53 -12.379 -3.196 4.432 401 1HG2 ILE 53 HG21 ILE 53 -15.248 -3.315 2.251 402 2HG2 ILE 53 HG22 ILE 53 -15.127 -1.558 2.355 403 3HG2 ILE 53 HG23 ILE 53 -14.985 -2.540 3.813 404 1HD1 ILE 53 HD11 ILE 53 -14.392 -4.488 4.406 405 2HD1 ILE 53 HD12 ILE 53 -13.072 -5.639 4.207 406 3HD1 ILE 53 HD13 ILE 53 -14.035 -5.153 2.815 407 H GLY 54 HN GLY 54 -14.921 -3.196 -0.532 408 1HA GLY 54 HA2 GLY 54 -16.369 -1.573 -1.490 409 2HA GLY 54 HA1 GLY 54 -15.203 -0.323 -1.063 410 H ALA 55 HN ALA 55 -13.862 -3.108 -2.617 411 HA ALA 55 HA ALA 55 -13.771 -1.609 -5.185 412 1HB ALA 55 HB1 ALA 55 -11.629 -1.609 -3.818 413 2HB ALA 55 HB2 ALA 55 -11.490 -2.209 -5.471 414 3HB ALA 55 HB3 ALA 55 -11.543 -3.344 -4.122 415 H THR 56 HN THR 56 -13.277 -2.862 -7.064 416 HA THR 56 HA THR 56 -14.746 -5.418 -7.273 417 HB THR 56 HB THR 56 -14.368 -4.997 -9.670 418 HG1 THR 56 HG1 THR 56 -12.412 -3.694 -9.127 419 1HG2 THR 56 HG21 THR 56 -15.522 -2.601 -8.216 420 2HG2 THR 56 HG22 THR 56 -16.386 -4.107 -8.527 421 3HG2 THR 56 HG23 THR 56 -15.879 -3.087 -9.874 422 H LYS 57 HN LYS 57 -13.821 -7.189 -8.285 423 HA LYS 57 HA LYS 57 -11.348 -7.972 -7.303 424 1HB LYS 57 HB2 LYS 57 -12.804 -9.040 -9.741 425 2HB LYS 57 HB1 LYS 57 -11.506 -9.866 -8.887 426 1HG LYS 57 HG2 LYS 57 -12.909 -9.953 -6.836 427 2HG LYS 57 HG1 LYS 57 -14.205 -9.118 -7.699 428 1HD LYS 57 HD2 LYS 57 -14.345 -10.965 -9.303 429 2HD LYS 57 HD1 LYS 57 -13.010 -11.788 -8.495 430 1HE LYS 57 HE2 LYS 57 -15.697 -11.114 -7.262 431 2HE LYS 57 HE1 LYS 57 -15.143 -12.722 -7.732 432 1HZ LYS 57 HZ1 LYS 57 -13.331 -12.522 -6.146 433 2HZ LYS 57 HZ2 LYS 57 -14.832 -12.342 -5.368 434 3HZ LYS 57 HZ3 LYS 57 -13.869 -10.979 -5.690 435 H GLU 58 HN GLU 58 -12.081 -6.533 -10.535 436 HA GLU 58 HA GLU 58 -9.448 -6.928 -11.548 437 1HB GLU 58 HB2 GLU 58 -11.585 -4.907 -12.270 438 2HB GLU 58 HB1 GLU 58 -10.102 -5.174 -13.181 439 1HG GLU 58 HG2 GLU 58 -11.665 -6.505 -14.323 440 2HG GLU 58 HG1 GLU 58 -10.856 -7.662 -13.270 441 H ASP 59 HN ASP 59 -11.008 -4.333 -9.699 442 HA ASP 59 HA ASP 59 -8.902 -2.461 -9.912 443 1HB ASP 59 HB2 ASP 59 -11.024 -2.882 -7.793 444 2HB ASP 59 HB1 ASP 59 -9.892 -1.531 -7.773 445 H LYS 60 HN LYS 60 -9.707 -5.014 -7.632 446 HA LYS 60 HA LYS 60 -7.530 -4.602 -5.865 447 1HB LYS 60 HB2 LYS 60 -9.526 -5.950 -5.245 448 2HB LYS 60 HB1 LYS 60 -9.047 -7.173 -6.421 449 1HG LYS 60 HG2 LYS 60 -6.926 -7.523 -5.198 450 2HG LYS 60 HG1 LYS 60 -7.404 -6.298 -4.024 451 1HD LYS 60 HD2 LYS 60 -9.317 -7.640 -3.338 452 2HD LYS 60 HD1 LYS 60 -8.972 -8.828 -4.597 453 1HE LYS 60 HE2 LYS 60 -6.885 -9.440 -3.549 454 2HE LYS 60 HE1 LYS 60 -7.020 -8.114 -2.394 455 1HZ LYS 60 HZ1 LYS 60 -7.689 -10.359 -1.549 456 2HZ LYS 60 HZ2 LYS 60 -9.025 -10.286 -2.596 457 3HZ LYS 60 HZ3 LYS 60 -8.852 -9.139 -1.354 458 H GLN 61 HN GLN 61 -7.727 -6.619 -8.817 459 HA GLN 61 HA GLN 61 -5.161 -7.796 -8.410 460 1HB GLN 61 HB2 GLN 61 -6.819 -8.673 -10.049 461 2HB GLN 61 HB1 GLN 61 -6.617 -7.208 -11.009 462 1HG GLN 61 HG2 GLN 61 -4.308 -7.717 -11.447 463 2HG GLN 61 HG1 GLN 61 -4.323 -9.044 -10.286 464 1HE2 GLN 61 HE21 GLN 61 -3.532 -9.683 -12.866 465 2HE2 GLN 61 HE22 GLN 61 -4.753 -10.559 -13.655 466 H ARG 62 HN ARG 62 -6.282 -4.829 -10.067 467 HA ARG 62 HA ARG 62 -3.776 -4.077 -11.057 468 1HB ARG 62 HB2 ARG 62 -5.876 -3.028 -11.808 469 2HB ARG 62 HB1 ARG 62 -6.119 -2.343 -10.206 470 1HG ARG 62 HG2 ARG 62 -5.212 -0.638 -11.692 471 2HG ARG 62 HG1 ARG 62 -4.014 -1.043 -10.471 472 1HD ARG 62 HD2 ARG 62 -2.716 -2.306 -12.015 473 2HD ARG 62 HD1 ARG 62 -4.027 -2.358 -13.192 474 HE ARG 62 HE ARG 62 -3.338 0.336 -12.701 475 1HH1 ARG 62 HH11 ARG 62 -0.829 -1.683 -13.056 476 2HH1 ARG 62 HH12 ARG 62 -0.381 -1.234 -14.668 477 1HH2 ARG 62 HH21 ARG 62 -3.293 0.556 -15.262 478 2HH2 ARG 62 HH22 ARG 62 -1.777 0.034 -15.919 479 H ILE 63 HN ILE 63 -5.367 -3.345 -7.991 480 HA ILE 63 HA ILE 63 -3.313 -1.702 -6.988 481 HB ILE 63 HB ILE 63 -5.386 -3.359 -5.587 482 1HG1 ILE 63 HG12 ILE 63 -5.108 -0.358 -5.798 483 2HG1 ILE 63 HG11 ILE 63 -6.025 -1.318 -6.958 484 1HG2 ILE 63 HG21 ILE 63 -3.709 -3.222 -3.932 485 2HG2 ILE 63 HG22 ILE 63 -4.758 -1.850 -3.579 486 3HG2 ILE 63 HG23 ILE 63 -3.234 -1.600 -4.430 487 1HD1 ILE 63 HD11 ILE 63 -6.528 -1.262 -3.968 488 2HD1 ILE 63 HD12 ILE 63 -7.468 -2.156 -5.161 489 3HD1 ILE 63 HD13 ILE 63 -7.480 -0.393 -5.170 490 H SER 64 HN SER 64 -3.704 -5.198 -6.744 491 HA SER 64 HA SER 64 -1.434 -5.631 -5.088 492 1HB SER 64 HB2 SER 64 -3.106 -7.404 -5.634 493 2HB SER 64 HB1 SER 64 -2.500 -7.430 -7.287 494 HG SER 64 HG SER 64 -1.459 -8.515 -5.004 495 H GLU 65 HN GLU 65 -1.779 -5.432 -8.694 496 HA GLU 65 HA GLU 65 0.922 -5.945 -9.253 497 1HB GLU 65 HB2 GLU 65 -1.165 -4.380 -10.790 498 2HB GLU 65 HB1 GLU 65 0.446 -4.734 -11.421 499 1HG GLU 65 HG2 GLU 65 0.047 -7.143 -11.138 500 2HG GLU 65 HG1 GLU 65 -1.552 -6.811 -10.476 501 H ILE 66 HN ILE 66 -0.751 -2.873 -8.581 502 HA ILE 66 HA ILE 66 1.446 -1.173 -9.057 503 HB ILE 66 HB ILE 66 -0.907 -0.871 -7.176 504 1HG1 ILE 66 HG12 ILE 66 -0.274 0.448 -9.834 505 2HG1 ILE 66 HG11 ILE 66 -1.301 -0.976 -9.670 506 1HG2 ILE 66 HG21 ILE 66 0.823 0.572 -6.310 507 2HG2 ILE 66 HG22 ILE 66 -0.250 1.593 -7.259 508 3HG2 ILE 66 HG23 ILE 66 1.294 1.076 -7.933 509 1HD1 ILE 66 HD11 ILE 66 -2.741 0.343 -8.074 510 2HD1 ILE 66 HD12 ILE 66 -2.740 0.968 -9.723 511 3HD1 ILE 66 HD13 ILE 66 -1.782 1.767 -8.476 512 H LEU 67 HN LEU 67 0.374 -2.786 -6.098 513 HA LEU 67 HA LEU 67 2.353 -1.742 -4.386 514 1HB LEU 67 HB2 LEU 67 0.522 -2.884 -3.354 515 2HB LEU 67 HB1 LEU 67 0.743 -4.307 -4.363 516 HG LEU 67 HG LEU 67 2.930 -4.749 -3.208 517 1HD1 LEU 67 HD11 LEU 67 2.089 -2.278 -1.678 518 2HD1 LEU 67 HD12 LEU 67 3.662 -2.648 -2.393 519 3HD1 LEU 67 HD13 LEU 67 3.136 -3.491 -0.941 520 1HD2 LEU 67 HD21 LEU 67 0.611 -4.443 -1.279 521 2HD2 LEU 67 HD22 LEU 67 1.930 -5.610 -1.184 522 3HD2 LEU 67 HD23 LEU 67 0.732 -5.735 -2.473 523 H GLN 68 HN GLN 68 2.312 -4.557 -6.524 524 HA GLN 68 HA GLN 68 4.869 -5.548 -5.763 525 1HB GLN 68 HB2 GLN 68 3.319 -5.801 -8.351 526 2HB GLN 68 HB1 GLN 68 4.828 -6.652 -8.019 527 1HG GLN 68 HG2 GLN 68 2.387 -6.835 -6.241 528 2HG GLN 68 HG1 GLN 68 2.742 -7.991 -7.521 529 1HE2 GLN 68 HE21 GLN 68 2.639 -8.667 -4.692 530 2HE2 GLN 68 HE22 GLN 68 4.197 -9.163 -4.235 531 H GLU 69 HN GLU 69 3.950 -3.406 -8.520 532 HA GLU 69 HA GLU 69 6.567 -3.017 -9.415 533 1HB GLU 69 HB2 GLU 69 4.147 -1.226 -9.623 534 2HB GLU 69 HB1 GLU 69 5.662 -0.952 -10.486 535 1HG GLU 69 HG2 GLU 69 5.465 -3.169 -11.546 536 2HG GLU 69 HG1 GLU 69 3.951 -3.446 -10.687 537 H THR 70 HN THR 70 4.720 -1.056 -7.069 538 HA THR 70 HA THR 70 6.653 0.952 -6.718 539 HB THR 70 HB THR 70 4.692 -0.156 -4.742 540 HG1 THR 70 HG1 THR 70 3.936 0.726 -6.811 541 1HG2 THR 70 HG21 THR 70 6.386 2.324 -4.785 542 2HG2 THR 70 HG22 THR 70 6.233 1.126 -3.497 543 3HG2 THR 70 HG23 THR 70 4.901 2.232 -3.836 544 H TRP 71 HN TRP 71 6.036 -2.006 -4.974 545 HA TRP 71 HA TRP 71 8.077 -1.894 -3.118 546 1HB TRP 71 HB2 TRP 71 6.220 -3.377 -2.905 547 2HB TRP 71 HB1 TRP 71 6.616 -4.168 -4.419 548 HD1 TRP 71 HD1 TRP 71 7.516 -6.472 -3.956 549 HE1 TRP 71 HE1 TRP 71 9.079 -7.557 -2.222 550 HE3 TRP 71 HE3 TRP 71 8.457 -2.439 -0.936 551 HZ2 TRP 71 HZ2 TRP 71 10.512 -6.832 0.135 552 HZ3 TRP 71 HZ3 TRP 71 9.909 -2.682 1.050 553 HH2 TRP 71 HH2 TRP 71 10.935 -4.870 1.592 554 H GLU 72 HN GLU 72 8.097 -3.125 -6.399 555 HA GLU 72 HA GLU 72 10.793 -4.077 -6.273 556 1HB GLU 72 HB2 GLU 72 8.887 -3.634 -8.573 557 2HB GLU 72 HB1 GLU 72 10.530 -4.232 -8.812 558 1HG GLU 72 HG2 GLU 72 10.070 -6.119 -7.296 559 2HG GLU 72 HG1 GLU 72 8.432 -5.524 -7.043 560 H SER 73 HN SER 73 9.505 -0.910 -6.765 561 HA SER 73 HA SER 73 12.072 -0.042 -7.990 562 1HB SER 73 HB2 SER 73 9.327 1.202 -7.972 563 2HB SER 73 HB1 SER 73 10.772 2.088 -8.457 564 HG SER 73 HG SER 73 10.763 -0.316 -9.625 565 H ALA 74 HN ALA 74 11.416 -0.621 -5.068 566 HA ALA 74 HA ALA 74 11.168 1.534 -3.471 567 1HB ALA 74 HB1 ALA 74 11.252 -0.800 -2.751 568 2HB ALA 74 HB2 ALA 74 12.301 0.236 -1.781 569 3HB ALA 74 HB3 ALA 74 12.997 -0.807 -3.021 570 H ASP 75 HN ASP 75 14.194 0.658 -5.075 571 HA ASP 75 HA ASP 75 15.862 2.315 -3.470 572 1HB ASP 75 HB2 ASP 75 16.188 1.143 -6.222 573 2HB ASP 75 HB1 ASP 75 17.443 2.099 -5.437 574 H ASP 76 HN ASP 76 13.656 3.148 -6.022 575 HA ASP 76 HA ASP 76 15.062 5.665 -6.627 576 1HB ASP 76 HB2 ASP 76 12.583 4.355 -7.748 577 2HB ASP 76 HB1 ASP 76 13.137 5.956 -8.233 578 H TRP 77 HN TRP 77 11.903 4.704 -5.239 579 HA TRP 77 HA TRP 77 11.346 7.538 -4.670 580 1HB TRP 77 HB2 TRP 77 9.145 6.922 -4.222 581 2HB TRP 77 HB1 TRP 77 9.635 5.948 -5.591 582 HD1 TRP 77 HD1 TRP 77 9.797 3.322 -5.261 583 HE1 TRP 77 HE1 TRP 77 9.068 1.748 -3.385 584 HE3 TRP 77 HE3 TRP 77 8.997 6.710 -1.411 585 HZ2 TRP 77 HZ2 TRP 77 8.256 1.849 -0.681 586 HZ3 TRP 77 HZ3 TRP 77 8.224 5.879 0.754 587 HH2 TRP 77 HH2 TRP 77 7.855 3.476 1.132 588 H PHE 78 HN PHE 78 12.605 4.848 -2.844 589 HA PHE 78 HA PHE 78 11.747 6.093 -0.311 590 1HB PHE 78 HB2 PHE 78 11.649 3.707 -0.270 591 2HB PHE 78 HB1 PHE 78 13.290 3.566 -0.877 592 HD1 PHE 78 HD1 PHE 78 15.239 3.991 0.556 593 HD2 PHE 78 HD2 PHE 78 11.230 4.479 2.061 594 HE1 PHE 78 HE1 PHE 78 16.119 4.151 2.860 595 HE2 PHE 78 HE2 PHE 78 12.128 4.623 4.364 596 HZ PHE 78 HZ PHE 78 14.567 4.459 4.766 597 H VAL 79 HN VAL 79 12.884 7.446 0.793 598 HA VAL 79 HA VAL 79 15.741 7.853 0.166 599 HB VAL 79 HB VAL 79 15.232 10.266 0.725 600 1HG1 VAL 79 HG11 VAL 79 15.443 9.552 -1.597 601 2HG1 VAL 79 HG12 VAL 79 14.092 10.678 -1.472 602 3HG1 VAL 79 HG13 VAL 79 13.786 8.945 -1.591 603 1HG2 VAL 79 HG21 VAL 79 12.959 11.005 0.831 604 2HG2 VAL 79 HG22 VAL 79 13.049 9.628 1.926 605 3HG2 VAL 79 HG23 VAL 79 12.345 9.432 0.318 606 H SER 80 HN SER 80 17.088 8.475 2.064 607 HA SER 80 HA SER 80 15.733 8.390 4.682 608 1HB SER 80 HB2 SER 80 16.523 6.064 4.176 609 2HB SER 80 HB1 SER 80 18.165 6.692 4.029 610 HG SER 80 HG SER 80 17.832 7.546 6.198 611 H GLU 81 HN GLU 81 16.574 9.786 6.110 612 HA GLU 81 HA GLU 81 18.450 11.736 5.226 613 1HB GLU 81 HB2 GLU 81 17.429 11.164 8.020 614 2HB GLU 81 HB1 GLU 81 18.292 12.618 7.521 615 1HG GLU 81 HG2 GLU 81 16.505 13.126 5.898 616 2HG GLU 81 HG1 GLU 81 15.639 11.674 6.395 Start of MODEL 12 1 1H MET 1 HT1 MET 1 -13.431 4.531 -0.180 2 2H MET 1 HT2 MET 1 -14.871 3.644 -0.351 3 3H MET 1 HT3 MET 1 -13.981 4.100 -1.726 4 HA MET 1 HA MET 1 -13.814 1.717 -0.410 5 1HB MET 1 HB2 MET 1 -11.942 1.320 -1.963 6 2HB MET 1 HB1 MET 1 -13.266 2.165 -2.766 7 1HG MET 1 HG2 MET 1 -12.057 4.331 -2.267 8 2HG MET 1 HG1 MET 1 -10.682 3.366 -1.734 9 1HE MET 1 HE1 MET 1 -8.778 2.333 -4.082 10 2HE MET 1 HE2 MET 1 -9.942 1.095 -4.543 11 3HE MET 1 HE3 MET 1 -9.781 1.550 -2.853 12 H ARG 2 HN ARG 2 -12.318 0.763 1.001 13 HA ARG 2 HA ARG 2 -10.286 2.570 2.199 14 1HB ARG 2 HB2 ARG 2 -12.035 0.536 3.608 15 2HB ARG 2 HB1 ARG 2 -10.696 1.404 4.361 16 1HG ARG 2 HG2 ARG 2 -11.804 3.557 3.811 17 2HG ARG 2 HG1 ARG 2 -13.162 2.665 3.125 18 1HD ARG 2 HD2 ARG 2 -13.508 1.564 5.335 19 2HD ARG 2 HD1 ARG 2 -12.215 2.556 6.001 20 HE ARG 2 HE ARG 2 -14.909 3.416 5.397 21 1HH1 ARG 2 HH21 ARG 2 -13.185 4.338 7.734 22 2HH1 ARG 2 HH22 ARG 2 -12.856 5.981 7.295 23 1HH2 ARG 2 HH11 ARG 2 -13.803 5.566 3.985 24 2HH2 ARG 2 HH12 ARG 2 -13.203 6.674 5.173 25 H ILE 3 HN ILE 3 -8.282 1.796 2.320 26 HA ILE 3 HA ILE 3 -7.804 -1.065 1.636 27 HB ILE 3 HB ILE 3 -6.150 1.383 1.009 28 1HG1 ILE 3 HG12 ILE 3 -7.554 -0.590 -0.816 29 2HG1 ILE 3 HG11 ILE 3 -8.266 0.946 -0.323 30 1HG2 ILE 3 HG21 ILE 3 -5.660 -1.584 0.691 31 2HG2 ILE 3 HG22 ILE 3 -4.592 -0.367 1.386 32 3HG2 ILE 3 HG23 ILE 3 -4.869 -0.405 -0.354 33 1HD1 ILE 3 HD11 ILE 3 -7.044 0.979 -2.549 34 2HD1 ILE 3 HD12 ILE 3 -5.552 0.745 -1.638 35 3HD1 ILE 3 HD13 ILE 3 -6.522 2.197 -1.384 36 H GLU 4 HN GLU 4 -6.819 -2.189 3.235 37 HA GLU 4 HA GLU 4 -5.140 -0.717 5.215 38 1HB GLU 4 HB2 GLU 4 -7.271 -1.385 6.232 39 2HB GLU 4 HB1 GLU 4 -6.993 -3.059 5.754 40 1HG GLU 4 HG2 GLU 4 -5.007 -3.179 7.165 41 2HG GLU 4 HG1 GLU 4 -5.151 -1.466 7.562 42 H VAL 5 HN VAL 5 -3.145 -1.403 5.470 43 HA VAL 5 HA VAL 5 -2.395 -4.094 4.430 44 HB VAL 5 HB VAL 5 -0.658 -1.623 4.501 45 1HG1 VAL 5 HG11 VAL 5 0.598 -3.709 4.609 46 2HG1 VAL 5 HG12 VAL 5 0.776 -3.010 3.001 47 3HG1 VAL 5 HG13 VAL 5 -0.320 -4.367 3.255 48 1HG2 VAL 5 HG21 VAL 5 -2.489 -2.746 2.394 49 2HG2 VAL 5 HG22 VAL 5 -0.988 -1.978 1.889 50 3HG2 VAL 5 HG23 VAL 5 -2.178 -1.067 2.817 51 H THR 6 HN THR 6 -1.330 -5.441 5.740 52 HA THR 6 HA THR 6 -0.277 -4.396 8.317 53 HB THR 6 HB THR 6 -0.810 -6.699 9.195 54 HG1 THR 6 HG1 THR 6 -1.480 -8.066 7.779 55 1HG2 THR 6 HG21 THR 6 -3.115 -4.996 8.214 56 2HG2 THR 6 HG22 THR 6 -2.209 -4.748 9.708 57 3HG2 THR 6 HG23 THR 6 -3.207 -6.189 9.510 58 H ILE 7 HN ILE 7 1.721 -4.914 8.831 59 HA ILE 7 HA ILE 7 3.240 -6.769 7.084 60 HB ILE 7 HB ILE 7 3.886 -4.140 8.391 61 1HG1 ILE 7 HG12 ILE 7 4.468 -5.199 5.606 62 2HG1 ILE 7 HG11 ILE 7 2.998 -4.323 6.030 63 1HG2 ILE 7 HG21 ILE 7 5.780 -6.387 7.670 64 2HG2 ILE 7 HG22 ILE 7 5.813 -5.315 9.072 65 3HG2 ILE 7 HG23 ILE 7 6.309 -4.711 7.493 66 1HD1 ILE 7 HD11 ILE 7 5.732 -3.182 6.598 67 2HD1 ILE 7 HD12 ILE 7 4.188 -2.336 6.518 68 3HD1 ILE 7 HD13 ILE 7 4.938 -2.946 5.043 69 H ALA 8 HN ALA 8 4.265 -8.441 8.056 70 HA ALA 8 HA ALA 8 3.742 -9.106 10.750 71 1HB ALA 8 HB1 ALA 8 5.658 -10.196 8.690 72 2HB ALA 8 HB2 ALA 8 4.104 -10.866 9.190 73 3HB ALA 8 HB3 ALA 8 5.478 -10.908 10.293 74 H LYS 9 HN LYS 9 4.764 -8.821 12.470 75 HA LYS 9 HA LYS 9 6.750 -6.868 12.811 76 1HB LYS 9 HB2 LYS 9 5.673 -9.027 14.649 77 2HB LYS 9 HB1 LYS 9 6.909 -7.904 15.206 78 1HG LYS 9 HG2 LYS 9 5.383 -6.012 14.857 79 2HG LYS 9 HG1 LYS 9 4.159 -7.095 14.176 80 1HD LYS 9 HD2 LYS 9 4.051 -8.305 16.323 81 2HD LYS 9 HD1 LYS 9 5.264 -7.217 16.996 82 1HE LYS 9 HE2 LYS 9 3.786 -5.310 16.720 83 2HE LYS 9 HE1 LYS 9 2.602 -6.305 15.873 84 1HZ LYS 9 HZ1 LYS 9 2.164 -5.888 18.301 85 2HZ LYS 9 HZ2 LYS 9 3.490 -6.896 18.636 86 3HZ LYS 9 HZ3 LYS 9 2.136 -7.512 17.815 87 H THR 10 HN THR 10 7.105 -10.262 12.168 88 HA THR 10 HA THR 10 9.734 -10.595 13.151 89 HB THR 10 HB THR 10 9.855 -12.412 11.403 90 HG1 THR 10 HG1 THR 10 8.534 -12.105 9.815 91 1HG2 THR 10 HG21 THR 10 8.343 -13.849 12.562 92 2HG2 THR 10 HG22 THR 10 7.281 -12.509 12.989 93 3HG2 THR 10 HG23 THR 10 8.863 -12.656 13.751 94 H SER 11 HN SER 11 8.478 -8.638 10.669 95 HA SER 11 HA SER 11 11.158 -8.354 9.407 96 1HB SER 11 HB2 SER 11 9.580 -9.282 7.813 97 2HB SER 11 HB1 SER 11 8.400 -8.035 8.201 98 HG SER 11 HG SER 11 10.008 -6.503 7.480 99 HA PRO 12 HA PRO 12 10.007 -4.222 11.244 100 1HB PRO 12 HB2 PRO 12 12.662 -4.053 12.372 101 2HB PRO 12 HB1 PRO 12 11.135 -4.253 13.249 102 1HG PRO 12 HG2 PRO 12 13.125 -6.167 13.104 103 2HG PRO 12 HG1 PRO 12 11.426 -6.498 13.483 104 1HD PRO 12 HD2 PRO 12 12.885 -6.871 10.885 105 2HD PRO 12 HD1 PRO 12 11.604 -7.853 11.617 106 H LEU 13 HN LEU 13 10.130 -2.395 10.308 107 HA LEU 13 HA LEU 13 12.235 -2.025 8.270 108 1HB LEU 13 HB2 LEU 13 9.409 -1.011 8.566 109 2HB LEU 13 HB1 LEU 13 10.539 -0.258 7.454 110 HG LEU 13 HG LEU 13 10.169 -3.251 7.360 111 1HD1 LEU 13 HD11 LEU 13 7.886 -2.533 7.238 112 2HD1 LEU 13 HD12 LEU 13 8.403 -2.842 5.583 113 3HD1 LEU 13 HD13 LEU 13 8.296 -1.185 6.173 114 1HD2 LEU 13 HD21 LEU 13 11.946 -2.118 5.990 115 2HD2 LEU 13 HD22 LEU 13 10.682 -1.201 5.172 116 3HD2 LEU 13 HD23 LEU 13 10.748 -2.954 5.008 117 HA PRO 14 HA PRO 14 14.054 1.147 10.654 118 1HB PRO 14 HB2 PRO 14 14.195 3.211 8.610 119 2HB PRO 14 HB1 PRO 14 15.500 2.174 9.208 120 1HG PRO 14 HG2 PRO 14 14.048 1.986 6.719 121 2HG PRO 14 HG1 PRO 14 15.440 1.040 7.260 122 1HD PRO 14 HD2 PRO 14 12.768 0.108 6.994 123 2HD PRO 14 HD1 PRO 14 14.117 -0.757 7.750 124 H ALA 15 HN ALA 15 13.673 2.949 11.792 125 HA ALA 15 HA ALA 15 11.070 3.602 12.480 126 1HB ALA 15 HB1 ALA 15 12.017 5.228 13.921 127 2HB ALA 15 HB2 ALA 15 13.450 5.392 12.905 128 3HB ALA 15 HB3 ALA 15 13.180 3.906 13.816 129 H GLY 16 HN GLY 16 10.944 4.006 9.719 130 1HA GLY 16 HA2 GLY 16 9.838 6.620 9.565 131 2HA GLY 16 HA1 GLY 16 11.381 6.610 8.766 132 H ALA 17 HN ALA 17 10.869 3.654 8.154 133 HA ALA 17 HA ALA 17 10.005 4.136 5.489 134 1HB ALA 17 HB1 ALA 17 11.345 2.319 5.264 135 2HB ALA 17 HB2 ALA 17 9.985 1.354 5.836 136 3HB ALA 17 HB3 ALA 17 11.199 1.934 6.976 137 H ILE 18 HN ILE 18 8.209 2.750 8.187 138 HA ILE 18 HA ILE 18 6.080 1.817 6.606 139 HB ILE 18 HB ILE 18 6.140 2.846 9.448 140 1HG1 ILE 18 HG12 ILE 18 7.307 0.630 8.609 141 2HG1 ILE 18 HG11 ILE 18 6.362 0.613 10.087 142 1HG2 ILE 18 HG21 ILE 18 3.893 1.616 9.612 143 2HG2 ILE 18 HG22 ILE 18 3.854 1.681 7.850 144 3HG2 ILE 18 HG23 ILE 18 3.879 3.175 8.786 145 1HD1 ILE 18 HD11 ILE 18 5.078 -0.063 7.446 146 2HD1 ILE 18 HD12 ILE 18 4.547 -0.491 9.069 147 3HD1 ILE 18 HD13 ILE 18 5.957 -1.279 8.367 148 H ASP 19 HN ASP 19 6.564 4.966 8.200 149 HA ASP 19 HA ASP 19 4.169 6.141 7.206 150 1HB ASP 19 HB2 ASP 19 5.621 7.090 9.083 151 2HB ASP 19 HB1 ASP 19 6.742 7.620 7.830 152 H ALA 20 HN ALA 20 7.413 5.871 5.804 153 HA ALA 20 HA ALA 20 6.806 7.573 3.636 154 1HB ALA 20 HB1 ALA 20 8.770 5.310 3.366 155 2HB ALA 20 HB2 ALA 20 9.122 6.669 4.429 156 3HB ALA 20 HB3 ALA 20 8.859 6.946 2.706 157 H LEU 21 HN LEU 21 6.501 4.083 4.079 158 HA LEU 21 HA LEU 21 5.784 3.385 1.486 159 1HB LEU 21 HB2 LEU 21 6.456 1.713 3.064 160 2HB LEU 21 HB1 LEU 21 5.193 2.180 4.195 161 HG LEU 21 HG LEU 21 3.493 1.408 2.600 162 1HD1 LEU 21 HD11 LEU 21 4.561 1.710 0.469 163 2HD1 LEU 21 HD12 LEU 21 4.338 -0.025 0.663 164 3HD1 LEU 21 HD13 LEU 21 5.921 0.696 0.943 165 1HD2 LEU 21 HD21 LEU 21 4.154 -1.061 2.674 166 2HD2 LEU 21 HD22 LEU 21 4.158 -0.209 4.217 167 3HD2 LEU 21 HD23 LEU 21 5.678 -0.522 3.380 168 H ALA 22 HN ALA 22 3.784 4.216 4.283 169 HA ALA 22 HA ALA 22 1.254 3.929 3.028 170 1HB ALA 22 HB1 ALA 22 1.759 4.200 5.538 171 2HB ALA 22 HB2 ALA 22 0.373 5.090 4.909 172 3HB ALA 22 HB3 ALA 22 1.897 5.926 5.203 173 H GLY 23 HN GLY 23 3.482 6.687 3.172 174 1HA GLY 23 HA2 GLY 23 1.675 8.499 1.882 175 2HA GLY 23 HA1 GLY 23 3.436 8.663 2.073 176 H GLU 24 HN GLU 24 4.316 6.405 0.605 177 HA GLU 24 HA GLU 24 3.985 7.390 -2.016 178 1HB GLU 24 HB2 GLU 24 5.889 5.824 -0.930 179 2HB GLU 24 HB1 GLU 24 4.888 4.543 -1.611 180 1HG GLU 24 HG2 GLU 24 6.183 6.845 -3.094 181 2HG GLU 24 HG1 GLU 24 6.507 5.125 -3.292 182 H LEU 25 HN LEU 25 2.489 4.673 -0.334 183 HA LEU 25 HA LEU 25 1.148 3.632 -2.577 184 1HB LEU 25 HB2 LEU 25 0.480 3.478 0.358 185 2HB LEU 25 HB1 LEU 25 -0.429 2.614 -0.878 186 HG LEU 25 HG LEU 25 2.559 2.353 -0.470 187 1HD1 LEU 25 HD11 LEU 25 0.258 0.627 0.486 188 2HD1 LEU 25 HD12 LEU 25 1.441 1.469 1.483 189 3HD1 LEU 25 HD13 LEU 25 1.943 0.102 0.491 190 1HD2 LEU 25 HD21 LEU 25 2.253 1.589 -2.646 191 2HD2 LEU 25 HD22 LEU 25 0.575 1.129 -2.367 192 3HD2 LEU 25 HD23 LEU 25 1.882 0.106 -1.778 193 H SER 26 HN SER 26 0.102 6.063 -0.227 194 HA SER 26 HA SER 26 -2.567 6.281 -1.091 195 1HB SER 26 HB2 SER 26 -1.796 7.294 0.994 196 2HB SER 26 HB1 SER 26 -0.757 8.398 0.097 197 HG SER 26 HG SER 26 -2.634 9.248 -0.874 198 H ARG 27 HN ARG 27 0.339 8.094 -2.149 199 HA ARG 27 HA ARG 27 -1.021 9.790 -3.958 200 1HB ARG 27 HB2 ARG 27 1.309 10.189 -3.247 201 2HB ARG 27 HB1 ARG 27 1.818 8.735 -4.109 202 1HG ARG 27 HG2 ARG 27 1.142 9.686 -6.235 203 2HG ARG 27 HG1 ARG 27 0.431 11.086 -5.428 204 1HD ARG 27 HD2 ARG 27 2.651 11.733 -4.581 205 2HD ARG 27 HD1 ARG 27 3.364 10.326 -5.360 206 HE ARG 27 HE ARG 27 3.247 11.449 -7.394 207 1HH1 ARG 27 HH11 ARG 27 1.760 13.255 -4.857 208 2HH1 ARG 27 HH12 ARG 27 1.258 14.554 -5.886 209 1HH2 ARG 27 HH21 ARG 27 2.406 13.058 -8.792 210 2HH2 ARG 27 HH22 ARG 27 1.622 14.443 -8.110 211 H ARG 28 HN ARG 28 0.371 6.551 -4.384 212 HA ARG 28 HA ARG 28 -0.081 6.332 -7.164 213 1HB ARG 28 HB2 ARG 28 0.043 4.248 -4.978 214 2HB ARG 28 HB1 ARG 28 -0.060 3.860 -6.690 215 1HG ARG 28 HG2 ARG 28 2.097 5.695 -5.665 216 2HG ARG 28 HG1 ARG 28 2.290 3.947 -5.587 217 1HD ARG 28 HD2 ARG 28 1.825 3.857 -8.063 218 2HD ARG 28 HD1 ARG 28 1.865 5.617 -8.084 219 HE ARG 28 HE ARG 28 4.212 4.496 -6.871 220 1HH1 ARG 28 HH21 ARG 28 2.740 5.831 -9.674 221 2HH1 ARG 28 HH22 ARG 28 4.162 5.723 -10.655 222 1HH2 ARG 28 HH11 ARG 28 6.034 4.094 -8.231 223 2HH2 ARG 28 HH12 ARG 28 6.028 4.741 -9.839 224 H ILE 29 HN ILE 29 -2.105 5.607 -4.370 225 HA ILE 29 HA ILE 29 -4.216 4.365 -5.775 226 HB ILE 29 HB ILE 29 -4.127 5.759 -3.104 227 1HG1 ILE 29 HG12 ILE 29 -2.813 3.598 -3.545 228 2HG1 ILE 29 HG11 ILE 29 -3.905 3.588 -2.170 229 1HG2 ILE 29 HG21 ILE 29 -6.382 4.310 -4.482 230 2HG2 ILE 29 HG22 ILE 29 -6.409 5.891 -3.701 231 3HG2 ILE 29 HG23 ILE 29 -6.292 4.427 -2.725 232 1HD1 ILE 29 HD11 ILE 29 -5.610 2.434 -3.655 233 2HD1 ILE 29 HD12 ILE 29 -4.156 1.501 -3.352 234 3HD1 ILE 29 HD13 ILE 29 -4.363 2.316 -4.890 235 H GLN 30 HN GLN 30 -3.739 7.699 -4.721 236 HA GLN 30 HA GLN 30 -6.232 8.723 -5.645 237 1HB GLN 30 HB2 GLN 30 -4.819 9.978 -4.072 238 2HB GLN 30 HB1 GLN 30 -3.554 10.107 -5.293 239 1HG GLN 30 HG2 GLN 30 -4.955 11.475 -6.707 240 2HG GLN 30 HG1 GLN 30 -6.361 11.187 -5.683 241 1HE2 GLN 30 HE21 GLN 30 -3.442 13.089 -6.040 242 2HE2 GLN 30 HE22 GLN 30 -3.686 14.063 -4.672 243 H TYR 31 HN TYR 31 -3.078 8.467 -7.336 244 HA TYR 31 HA TYR 31 -4.036 9.815 -9.632 245 1HB TYR 31 HB2 TYR 31 -1.623 9.531 -9.222 246 2HB TYR 31 HB1 TYR 31 -1.795 7.784 -9.402 247 HD1 TYR 31 HD1 TYR 31 -2.215 11.032 -11.186 248 HD2 TYR 31 HD2 TYR 31 -1.827 6.769 -11.557 249 HE1 TYR 31 HE1 TYR 31 -1.988 11.268 -13.642 250 HE2 TYR 31 HE2 TYR 31 -1.599 7.008 -14.015 251 HH TYR 31 HH TYR 31 -2.024 8.499 -15.763 252 H ALA 32 HN ALA 32 -4.025 6.404 -8.677 253 HA ALA 32 HA ALA 32 -4.977 5.419 -11.165 254 1HB ALA 32 HB1 ALA 32 -5.547 3.373 -9.788 255 2HB ALA 32 HB2 ALA 32 -4.966 4.262 -8.380 256 3HB ALA 32 HB3 ALA 32 -3.866 3.899 -9.709 257 H PHE 33 HN PHE 33 -6.559 6.436 -8.183 258 HA PHE 33 HA PHE 33 -9.232 6.063 -9.450 259 1HB PHE 33 HB2 PHE 33 -8.412 5.889 -6.551 260 2HB PHE 33 HB1 PHE 33 -10.080 5.871 -7.122 261 HD1 PHE 33 HD1 PHE 33 -10.847 4.049 -8.688 262 HD2 PHE 33 HD2 PHE 33 -7.025 3.954 -6.727 263 HE1 PHE 33 HE1 PHE 33 -10.649 1.629 -9.189 264 HE2 PHE 33 HE2 PHE 33 -6.831 1.533 -7.224 265 HZ PHE 33 HZ PHE 33 -8.642 0.371 -8.456 266 HA PRO 34 HA PRO 34 -8.778 10.580 -8.696 267 1HB PRO 34 HB2 PRO 34 -10.369 11.072 -11.073 268 2HB PRO 34 HB1 PRO 34 -8.658 11.425 -10.791 269 1HG PRO 34 HG2 PRO 34 -9.624 9.497 -12.530 270 2HG PRO 34 HG1 PRO 34 -7.981 9.547 -11.868 271 1HD PRO 34 HD2 PRO 34 -10.287 7.826 -11.057 272 2HD PRO 34 HD1 PRO 34 -8.541 7.484 -11.027 273 H ASP 35 HN ASP 35 -11.596 8.647 -9.412 274 HA ASP 35 HA ASP 35 -13.481 10.681 -8.478 275 1HB ASP 35 HB2 ASP 35 -15.201 9.130 -9.271 276 2HB ASP 35 HB1 ASP 35 -14.002 9.474 -10.517 277 H ASN 36 HN ASN 36 -11.805 8.060 -6.953 278 HA ASN 36 HA ASN 36 -14.022 7.828 -4.980 279 1HB ASN 36 HB2 ASN 36 -12.092 5.742 -5.962 280 2HB ASN 36 HB1 ASN 36 -13.119 5.527 -4.547 281 1HD2 ASN 36 HD21 ASN 36 -13.336 3.946 -6.990 282 2HD2 ASN 36 HD22 ASN 36 -14.866 4.264 -7.652 283 H GLU 37 HN GLU 37 -13.419 8.404 -2.800 284 HA GLU 37 HA GLU 37 -10.886 9.332 -2.128 285 1HB GLU 37 HB2 GLU 37 -12.968 9.895 -1.011 286 2HB GLU 37 HB1 GLU 37 -13.162 8.229 -0.488 287 1HG GLU 37 HG2 GLU 37 -11.097 8.404 0.866 288 2HG GLU 37 HG1 GLU 37 -10.892 10.081 0.353 289 H GLY 38 HN GLY 38 -9.078 8.112 -1.758 290 1HA GLY 38 HA2 GLY 38 -9.358 5.223 -1.030 291 2HA GLY 38 HA1 GLY 38 -8.021 5.795 -1.779 292 H HIS 39 HN HIS 39 -8.894 4.794 1.251 293 HA HIS 39 HA HIS 39 -7.009 6.668 2.530 294 1HB HIS 39 HB2 HIS 39 -9.247 6.697 3.568 295 2HB HIS 39 HB1 HIS 39 -9.169 4.949 3.797 296 HD1 HIS 39 HD1 HIS 39 -6.839 7.874 4.617 297 HD2 HIS 39 HD2 HIS 39 -8.309 4.378 6.346 298 HE1 HIS 39 HE1 HIS 39 -5.792 7.719 6.918 299 H VAL 40 HN VAL 40 -5.048 5.704 2.978 300 HA VAL 40 HA VAL 40 -4.924 2.764 3.016 301 HB VAL 40 HB VAL 40 -2.794 4.792 2.323 302 1HG1 VAL 40 HG11 VAL 40 -1.849 2.747 3.264 303 2HG1 VAL 40 HG12 VAL 40 -1.580 2.772 1.524 304 3HG1 VAL 40 HG13 VAL 40 -2.857 1.766 2.203 305 1HG2 VAL 40 HG21 VAL 40 -4.738 4.561 0.702 306 2HG2 VAL 40 HG22 VAL 40 -4.297 2.862 0.527 307 3HG2 VAL 40 HG23 VAL 40 -3.167 4.120 0.030 308 H SER 41 HN SER 41 -4.266 1.815 4.811 309 HA SER 41 HA SER 41 -2.800 3.393 6.855 310 1HB SER 41 HB2 SER 41 -5.027 3.137 7.743 311 2HB SER 41 HB1 SER 41 -5.059 1.426 7.322 312 HG SER 41 HG SER 41 -3.141 2.575 9.068 313 H VAL 42 HN VAL 42 -1.127 2.438 7.863 314 HA VAL 42 HA VAL 42 -0.558 -0.383 7.192 315 HB VAL 42 HB VAL 42 1.514 1.836 7.253 316 1HG1 VAL 42 HG11 VAL 42 2.423 -0.322 7.903 317 2HG1 VAL 42 HG12 VAL 42 2.964 0.048 6.266 318 3HG1 VAL 42 HG13 VAL 42 1.652 -1.103 6.521 319 1HG2 VAL 42 HG21 VAL 42 1.583 1.761 4.871 320 2HG2 VAL 42 HG22 VAL 42 -0.128 1.858 5.279 321 3HG2 VAL 42 HG23 VAL 42 0.581 0.314 4.813 322 H ARG 43 HN ARG 43 -0.182 -1.588 8.889 323 HA ARG 43 HA ARG 43 0.989 -0.400 11.283 324 1HB ARG 43 HB2 ARG 43 -1.369 -0.082 11.708 325 2HB ARG 43 HB1 ARG 43 -1.734 -1.737 11.226 326 1HG ARG 43 HG2 ARG 43 -0.556 -2.624 13.147 327 2HG ARG 43 HG1 ARG 43 0.032 -1.017 13.584 328 1HD ARG 43 HD2 ARG 43 -2.905 -1.730 13.421 329 2HD ARG 43 HD1 ARG 43 -1.971 -1.816 14.911 330 HE ARG 43 HE ARG 43 -1.527 0.729 13.994 331 1HH1 ARG 43 HH21 ARG 43 -4.179 -1.218 15.042 332 2HH1 ARG 43 HH22 ARG 43 -5.235 0.126 15.325 333 1HH2 ARG 43 HH11 ARG 43 -2.966 2.492 14.202 334 2HH2 ARG 43 HH12 ARG 43 -4.549 2.223 14.851 335 H TYR 44 HN TYR 44 1.702 -2.034 12.842 336 HA TYR 44 HA TYR 44 2.655 -4.463 11.500 337 1HB TYR 44 HB2 TYR 44 3.048 -3.391 14.317 338 2HB TYR 44 HB1 TYR 44 3.771 -4.867 13.704 339 HD1 TYR 44 HD1 TYR 44 5.337 -4.719 11.678 340 HD2 TYR 44 HD2 TYR 44 4.062 -1.293 13.939 341 HE1 TYR 44 HE1 TYR 44 7.240 -3.414 10.775 342 HE2 TYR 44 HE2 TYR 44 5.967 0.011 13.046 343 HH TYR 44 HH TYR 44 8.567 -1.108 11.868 344 H ALA 45 HN ALA 45 1.992 -6.490 11.816 345 HA ALA 45 HA ALA 45 -0.024 -7.055 13.878 346 1HB ALA 45 HB1 ALA 45 -1.091 -6.483 11.586 347 2HB ALA 45 HB2 ALA 45 -1.577 -7.989 12.366 348 3HB ALA 45 HB3 ALA 45 -0.410 -8.018 11.045 349 H ALA 46 HN ALA 46 -0.362 -9.498 14.016 350 HA ALA 46 HA ALA 46 2.148 -10.753 14.284 351 1HB ALA 46 HB1 ALA 46 -0.515 -12.176 14.060 352 2HB ALA 46 HB2 ALA 46 0.054 -11.401 15.538 353 3HB ALA 46 HB3 ALA 46 0.945 -12.762 14.857 354 H ALA 47 HN ALA 47 -0.034 -10.587 11.540 355 HA ALA 47 HA ALA 47 1.971 -12.125 9.999 356 1HB ALA 47 HB1 ALA 47 0.323 -13.509 8.977 357 2HB ALA 47 HB2 ALA 47 -0.998 -12.573 9.676 358 3HB ALA 47 HB3 ALA 47 0.014 -13.580 10.711 359 H ASN 48 HN ASN 48 2.044 -11.760 7.764 360 HA ASN 48 HA ASN 48 1.405 -9.068 6.939 361 1HB ASN 48 HB2 ASN 48 3.391 -10.450 6.136 362 2HB ASN 48 HB1 ASN 48 2.241 -11.381 5.178 363 1HD2 ASN 48 HD21 ASN 48 2.430 -10.650 3.048 364 2HD2 ASN 48 HD22 ASN 48 2.474 -9.016 2.592 365 H ASN 49 HN ASN 49 -0.496 -8.410 6.027 366 HA ASN 49 HA ASN 49 -2.109 -10.269 4.456 367 1HB ASN 49 HB2 ASN 49 -2.812 -10.578 6.855 368 2HB ASN 49 HB1 ASN 49 -3.312 -8.890 6.857 369 1HD2 ASN 49 HD21 ASN 49 -4.090 -12.093 5.604 370 2HD2 ASN 49 HD22 ASN 49 -5.593 -11.662 4.942 371 H LEU 50 HN LEU 50 -3.626 -9.218 3.121 372 HA LEU 50 HA LEU 50 -3.544 -6.252 3.085 373 1HB LEU 50 HB2 LEU 50 -2.185 -7.202 1.226 374 2HB LEU 50 HB1 LEU 50 -3.577 -8.148 0.709 375 HG LEU 50 HG LEU 50 -4.859 -6.024 0.379 376 1HD1 LEU 50 HD11 LEU 50 -3.945 -4.408 1.749 377 2HD1 LEU 50 HD12 LEU 50 -3.260 -3.947 0.194 378 3HD1 LEU 50 HD13 LEU 50 -2.282 -4.844 1.356 379 1HD2 LEU 50 HD21 LEU 50 -2.230 -6.265 -1.122 380 2HD2 LEU 50 HD22 LEU 50 -3.585 -5.267 -1.645 381 3HD2 LEU 50 HD23 LEU 50 -3.766 -7.017 -1.559 382 H SER 51 HN SER 51 -5.625 -5.472 3.388 383 HA SER 51 HA SER 51 -7.891 -7.214 2.575 384 1HB SER 51 HB2 SER 51 -7.707 -5.336 4.938 385 2HB SER 51 HB1 SER 51 -9.125 -6.265 4.468 386 HG SER 51 HG SER 51 -7.593 -7.159 6.125 387 H VAL 52 HN VAL 52 -9.325 -6.240 1.195 388 HA VAL 52 HA VAL 52 -9.280 -3.295 0.958 389 HB VAL 52 HB VAL 52 -9.629 -5.298 -1.287 390 1HG1 VAL 52 HG11 VAL 52 -9.633 -2.268 -1.207 391 2HG1 VAL 52 HG12 VAL 52 -10.965 -3.317 -1.691 392 3HG1 VAL 52 HG13 VAL 52 -9.518 -3.211 -2.693 393 1HG2 VAL 52 HG21 VAL 52 -7.296 -5.111 -0.475 394 2HG2 VAL 52 HG22 VAL 52 -7.380 -3.358 -0.657 395 3HG2 VAL 52 HG23 VAL 52 -7.472 -4.398 -2.079 396 H ILE 53 HN ILE 53 -11.255 -2.383 1.323 397 HA ILE 53 HA ILE 53 -13.676 -4.081 1.014 398 HB ILE 53 HB ILE 53 -13.173 -1.931 3.093 399 1HG1 ILE 53 HG12 ILE 53 -13.604 -4.898 3.538 400 2HG1 ILE 53 HG11 ILE 53 -11.993 -4.189 3.391 401 1HG2 ILE 53 HG21 ILE 53 -15.358 -2.756 4.001 402 2HG2 ILE 53 HG22 ILE 53 -15.538 -3.758 2.563 403 3HG2 ILE 53 HG23 ILE 53 -15.520 -2.001 2.417 404 1HD1 ILE 53 HD11 ILE 53 -14.078 -3.231 5.368 405 2HD1 ILE 53 HD12 ILE 53 -12.384 -2.748 5.292 406 3HD1 ILE 53 HD13 ILE 53 -12.812 -4.392 5.767 407 H GLY 54 HN GLY 54 -15.211 -3.292 -0.278 408 1HA GLY 54 HA2 GLY 54 -16.616 -1.623 -1.161 409 2HA GLY 54 HA1 GLY 54 -15.429 -0.399 -0.725 410 H ALA 55 HN ALA 55 -14.028 -3.107 -2.263 411 HA ALA 55 HA ALA 55 -13.948 -1.627 -4.839 412 1HB ALA 55 HB1 ALA 55 -11.655 -1.959 -5.023 413 2HB ALA 55 HB2 ALA 55 -11.663 -3.359 -3.949 414 3HB ALA 55 HB3 ALA 55 -11.828 -1.737 -3.282 415 H THR 56 HN THR 56 -13.385 -2.885 -6.706 416 HA THR 56 HA THR 56 -14.805 -5.475 -6.918 417 HB THR 56 HB THR 56 -14.596 -5.031 -9.284 418 HG1 THR 56 HG1 THR 56 -12.727 -3.981 -9.530 419 1HG2 THR 56 HG21 THR 56 -16.400 -3.910 -7.840 420 2HG2 THR 56 HG22 THR 56 -16.110 -3.207 -9.432 421 3HG2 THR 56 HG23 THR 56 -15.445 -2.435 -7.992 422 H LYS 57 HN LYS 57 -13.856 -7.189 -8.001 423 HA LYS 57 HA LYS 57 -11.356 -7.931 -7.049 424 1HB LYS 57 HB2 LYS 57 -13.010 -9.593 -7.760 425 2HB LYS 57 HB1 LYS 57 -12.849 -9.073 -9.436 426 1HG LYS 57 HG2 LYS 57 -10.477 -9.800 -9.433 427 2HG LYS 57 HG1 LYS 57 -10.635 -10.324 -7.754 428 1HD LYS 57 HD2 LYS 57 -12.264 -11.986 -8.350 429 2HD LYS 57 HD1 LYS 57 -12.380 -11.360 -9.996 430 1HE LYS 57 HE2 LYS 57 -10.080 -12.011 -10.458 431 2HE LYS 57 HE1 LYS 57 -9.850 -12.509 -8.782 432 1HZ LYS 57 HZ1 LYS 57 -10.310 -14.454 -9.997 433 2HZ LYS 57 HZ2 LYS 57 -11.613 -13.739 -10.819 434 3HZ LYS 57 HZ3 LYS 57 -11.742 -14.093 -9.163 435 H GLU 58 HN GLU 58 -12.123 -6.512 -10.283 436 HA GLU 58 HA GLU 58 -9.490 -6.892 -11.312 437 1HB GLU 58 HB2 GLU 58 -11.773 -5.065 -12.047 438 2HB GLU 58 HB1 GLU 58 -10.216 -4.992 -12.869 439 1HG GLU 58 HG2 GLU 58 -11.856 -7.537 -12.619 440 2HG GLU 58 HG1 GLU 58 -11.925 -6.460 -14.011 441 H ASP 59 HN ASP 59 -11.061 -4.355 -9.425 442 HA ASP 59 HA ASP 59 -8.989 -2.442 -9.624 443 1HB ASP 59 HB2 ASP 59 -11.094 -2.928 -7.502 444 2HB ASP 59 HB1 ASP 59 -9.983 -1.561 -7.466 445 H LYS 60 HN LYS 60 -9.762 -5.006 -7.348 446 HA LYS 60 HA LYS 60 -7.566 -4.580 -5.606 447 1HB LYS 60 HB2 LYS 60 -9.529 -5.935 -4.937 448 2HB LYS 60 HB1 LYS 60 -9.096 -7.149 -6.142 449 1HG LYS 60 HG2 LYS 60 -6.942 -7.528 -4.986 450 2HG LYS 60 HG1 LYS 60 -7.374 -6.314 -3.784 451 1HD LYS 60 HD2 LYS 60 -9.271 -7.647 -3.052 452 2HD LYS 60 HD1 LYS 60 -8.987 -8.819 -4.341 453 1HE LYS 60 HE2 LYS 60 -6.807 -9.390 -3.379 454 2HE LYS 60 HE1 LYS 60 -7.026 -8.175 -2.121 455 1HZ LYS 60 HZ1 LYS 60 -9.213 -10.032 -2.345 456 2HZ LYS 60 HZ2 LYS 60 -8.372 -9.503 -0.966 457 3HZ LYS 60 HZ3 LYS 60 -7.746 -10.766 -1.915 458 H GLN 61 HN GLN 61 -7.789 -6.564 -8.578 459 HA GLN 61 HA GLN 61 -5.210 -7.724 -8.212 460 1HB GLN 61 HB2 GLN 61 -6.846 -8.622 -9.852 461 2HB GLN 61 HB1 GLN 61 -6.713 -7.132 -10.788 462 1HG GLN 61 HG2 GLN 61 -4.360 -7.545 -11.213 463 2HG GLN 61 HG1 GLN 61 -4.372 -8.948 -10.147 464 1HE2 GLN 61 HE21 GLN 61 -7.322 -8.983 -11.721 465 2HE2 GLN 61 HE22 GLN 61 -6.915 -9.989 -13.027 466 H ARG 62 HN ARG 62 -6.381 -4.752 -9.847 467 HA ARG 62 HA ARG 62 -3.882 -3.967 -10.839 468 1HB ARG 62 HB2 ARG 62 -5.960 -2.904 -11.610 469 2HB ARG 62 HB1 ARG 62 -6.240 -2.245 -10.000 470 1HG ARG 62 HG2 ARG 62 -4.176 -0.905 -10.175 471 2HG ARG 62 HG1 ARG 62 -3.862 -1.583 -11.773 472 1HD ARG 62 HD2 ARG 62 -5.996 -0.641 -12.584 473 2HD ARG 62 HD1 ARG 62 -6.295 0.044 -10.991 474 HE ARG 62 HE ARG 62 -3.777 0.935 -11.947 475 1HH1 ARG 62 HH21 ARG 62 -7.178 1.225 -12.479 476 2HH1 ARG 62 HH22 ARG 62 -7.090 2.842 -13.093 477 1HH2 ARG 62 HH11 ARG 62 -3.646 3.067 -12.748 478 2HH2 ARG 62 HH12 ARG 62 -5.089 3.886 -13.247 479 H ILE 63 HN ILE 63 -5.495 -3.244 -7.776 480 HA ILE 63 HA ILE 63 -3.445 -1.588 -6.784 481 HB ILE 63 HB ILE 63 -5.461 -3.279 -5.326 482 1HG1 ILE 63 HG12 ILE 63 -5.287 -0.275 -5.639 483 2HG1 ILE 63 HG11 ILE 63 -6.225 -1.302 -6.721 484 1HG2 ILE 63 HG21 ILE 63 -3.697 -3.018 -3.751 485 2HG2 ILE 63 HG22 ILE 63 -4.839 -1.731 -3.368 486 3HG2 ILE 63 HG23 ILE 63 -3.374 -1.366 -4.280 487 1HD1 ILE 63 HD11 ILE 63 -6.607 -1.262 -3.716 488 2HD1 ILE 63 HD12 ILE 63 -7.635 -2.049 -4.914 489 3HD1 ILE 63 HD13 ILE 63 -7.564 -0.289 -4.833 490 H SER 64 HN SER 64 -3.847 -5.090 -6.581 491 HA SER 64 HA SER 64 -1.551 -5.555 -4.972 492 1HB SER 64 HB2 SER 64 -2.716 -7.300 -7.166 493 2HB SER 64 HB1 SER 64 -1.563 -7.828 -5.943 494 HG SER 64 HG SER 64 -3.244 -8.169 -4.740 495 H GLU 65 HN GLU 65 -1.991 -5.145 -8.539 496 HA GLU 65 HA GLU 65 0.704 -5.672 -9.191 497 1HB GLU 65 HB2 GLU 65 -1.426 -4.038 -10.600 498 2HB GLU 65 HB1 GLU 65 0.169 -4.342 -11.290 499 1HG GLU 65 HG2 GLU 65 -1.701 -6.544 -10.376 500 2HG GLU 65 HG1 GLU 65 -1.623 -5.964 -12.038 501 H ILE 66 HN ILE 66 -0.982 -2.668 -8.382 502 HA ILE 66 HA ILE 66 1.169 -0.921 -8.825 503 HB ILE 66 HB ILE 66 -1.218 -0.775 -6.981 504 1HG1 ILE 66 HG12 ILE 66 -0.513 0.704 -9.535 505 2HG1 ILE 66 HG11 ILE 66 -1.521 -0.741 -9.477 506 1HG2 ILE 66 HG21 ILE 66 0.896 1.330 -7.532 507 2HG2 ILE 66 HG22 ILE 66 0.468 0.645 -5.962 508 3HG2 ILE 66 HG23 ILE 66 -0.678 1.668 -6.817 509 1HD1 ILE 66 HD11 ILE 66 -3.146 0.409 -8.058 510 2HD1 ILE 66 HD12 ILE 66 -2.867 1.355 -9.520 511 3HD1 ILE 66 HD13 ILE 66 -2.115 1.839 -7.999 512 H LEU 67 HN LEU 67 0.194 -2.655 -5.904 513 HA LEU 67 HA LEU 67 2.198 -1.628 -4.208 514 1HB LEU 67 HB2 LEU 67 0.338 -2.846 -3.238 515 2HB LEU 67 HB1 LEU 67 0.693 -4.264 -4.213 516 HG LEU 67 HG LEU 67 2.914 -4.450 -2.979 517 1HD1 LEU 67 HD11 LEU 67 3.298 -2.319 -2.018 518 2HD1 LEU 67 HD12 LEU 67 2.772 -3.289 -0.647 519 3HD1 LEU 67 HD13 LEU 67 1.642 -2.185 -1.426 520 1HD2 LEU 67 HD21 LEU 67 1.865 -5.443 -0.980 521 2HD2 LEU 67 HD22 LEU 67 0.939 -5.829 -2.431 522 3HD2 LEU 67 HD23 LEU 67 0.368 -4.577 -1.327 523 H GLN 68 HN GLN 68 2.153 -4.365 -6.431 524 HA GLN 68 HA GLN 68 4.733 -5.360 -5.767 525 1HB GLN 68 HB2 GLN 68 3.086 -6.657 -7.088 526 2HB GLN 68 HB1 GLN 68 3.246 -5.497 -8.405 527 1HG GLN 68 HG2 GLN 68 5.649 -6.044 -8.603 528 2HG GLN 68 HG1 GLN 68 5.490 -7.202 -7.282 529 1HE2 GLN 68 HE21 GLN 68 5.166 -9.310 -7.982 530 2HE2 GLN 68 HE22 GLN 68 4.446 -9.750 -9.455 531 H GLU 69 HN GLU 69 3.743 -3.140 -8.446 532 HA GLU 69 HA GLU 69 6.337 -2.714 -9.382 533 1HB GLU 69 HB2 GLU 69 3.849 -1.008 -9.518 534 2HB GLU 69 HB1 GLU 69 5.339 -0.609 -10.375 535 1HG GLU 69 HG2 GLU 69 5.270 -2.792 -11.520 536 2HG GLU 69 HG1 GLU 69 3.784 -3.196 -10.665 537 H THR 70 HN THR 70 4.521 -0.751 -6.984 538 HA THR 70 HA THR 70 6.495 1.227 -6.687 539 HB THR 70 HB THR 70 4.551 0.214 -4.646 540 HG1 THR 70 HG1 THR 70 3.220 1.145 -5.963 541 1HG2 THR 70 HG21 THR 70 4.891 2.607 -3.767 542 2HG2 THR 70 HG22 THR 70 6.349 2.629 -4.760 543 3HG2 THR 70 HG23 THR 70 6.185 1.451 -3.457 544 H TRP 71 HN TRP 71 5.926 -1.757 -4.975 545 HA TRP 71 HA TRP 71 7.995 -1.652 -3.146 546 1HB TRP 71 HB2 TRP 71 6.041 -3.147 -3.111 547 2HB TRP 71 HB1 TRP 71 6.707 -4.016 -4.479 548 HD1 TRP 71 HD1 TRP 71 7.505 -6.251 -3.633 549 HE1 TRP 71 HE1 TRP 71 8.885 -7.112 -1.642 550 HE3 TRP 71 HE3 TRP 71 8.076 -1.902 -0.959 551 HZ2 TRP 71 HZ2 TRP 71 10.053 -6.120 0.757 552 HZ3 TRP 71 HZ3 TRP 71 9.314 -1.912 1.172 553 HH2 TRP 71 HH2 TRP 71 10.298 -4.012 2.042 554 H GLU 72 HN GLU 72 7.963 -2.861 -6.445 555 HA GLU 72 HA GLU 72 10.664 -3.798 -6.355 556 1HB GLU 72 HB2 GLU 72 8.742 -3.368 -8.644 557 2HB GLU 72 HB1 GLU 72 10.395 -3.932 -8.893 558 1HG GLU 72 HG2 GLU 72 9.976 -5.837 -7.386 559 2HG GLU 72 HG1 GLU 72 8.323 -5.279 -7.135 560 H SER 73 HN SER 73 9.337 -0.638 -6.820 561 HA SER 73 HA SER 73 11.881 0.259 -8.065 562 1HB SER 73 HB2 SER 73 10.700 2.245 -8.760 563 2HB SER 73 HB1 SER 73 9.746 0.842 -9.230 564 HG SER 73 HG SER 73 8.289 2.060 -8.220 565 H ALA 74 HN ALA 74 11.270 -0.367 -5.146 566 HA ALA 74 HA ALA 74 11.045 1.772 -3.527 567 1HB ALA 74 HB1 ALA 74 12.909 -0.544 -3.085 568 2HB ALA 74 HB2 ALA 74 11.156 -0.613 -2.891 569 3HB ALA 74 HB3 ALA 74 12.119 0.445 -1.857 570 H ASP 75 HN ASP 75 14.063 0.849 -5.166 571 HA ASP 75 HA ASP 75 15.772 2.469 -3.579 572 1HB ASP 75 HB2 ASP 75 16.043 1.363 -6.374 573 2HB ASP 75 HB1 ASP 75 17.327 2.252 -5.558 574 H ASP 76 HN ASP 76 13.550 3.305 -6.111 575 HA ASP 76 HA ASP 76 14.918 5.846 -6.709 576 1HB ASP 76 HB2 ASP 76 13.950 4.502 -8.545 577 2HB ASP 76 HB1 ASP 76 12.354 4.707 -7.823 578 H TRP 77 HN TRP 77 11.746 4.806 -5.362 579 HA TRP 77 HA TRP 77 11.140 7.618 -4.789 580 1HB TRP 77 HB2 TRP 77 8.939 6.971 -4.348 581 2HB TRP 77 HB1 TRP 77 9.449 6.024 -5.730 582 HD1 TRP 77 HD1 TRP 77 9.397 3.406 -5.492 583 HE1 TRP 77 HE1 TRP 77 8.758 1.800 -3.602 584 HE3 TRP 77 HE3 TRP 77 9.049 6.690 -1.486 585 HZ2 TRP 77 HZ2 TRP 77 8.192 1.846 -0.826 586 HZ3 TRP 77 HZ3 TRP 77 8.461 5.827 0.723 587 HH2 TRP 77 HH2 TRP 77 8.037 3.432 1.064 588 H PHE 78 HN PHE 78 12.379 4.917 -2.957 589 HA PHE 78 HA PHE 78 11.538 6.158 -0.419 590 1HB PHE 78 HB2 PHE 78 11.539 3.713 -0.479 591 2HB PHE 78 HB1 PHE 78 13.239 3.712 -0.932 592 HD1 PHE 78 HD1 PHE 78 11.085 5.361 1.694 593 HD2 PHE 78 HD2 PHE 78 14.762 3.277 0.829 594 HE1 PHE 78 HE1 PHE 78 11.739 5.502 4.073 595 HE2 PHE 78 HE2 PHE 78 15.392 3.422 3.215 596 HZ PHE 78 HZ PHE 78 13.886 4.532 4.836 597 H VAL 79 HN VAL 79 12.657 7.556 0.666 598 HA VAL 79 HA VAL 79 15.519 7.947 0.021 599 HB VAL 79 HB VAL 79 13.727 10.144 1.060 600 1HG1 VAL 79 HG11 VAL 79 15.987 10.324 -0.933 601 2HG1 VAL 79 HG12 VAL 79 16.301 10.256 0.802 602 3HG1 VAL 79 HG13 VAL 79 15.351 11.580 0.129 603 1HG2 VAL 79 HG21 VAL 79 13.249 10.779 -1.302 604 2HG2 VAL 79 HG22 VAL 79 12.505 9.236 -0.874 605 3HG2 VAL 79 HG23 VAL 79 13.985 9.271 -1.840 606 H SER 80 HN SER 80 16.924 7.984 1.885 607 HA SER 80 HA SER 80 15.573 7.871 4.531 608 1HB SER 80 HB2 SER 80 17.465 6.404 5.212 609 2HB SER 80 HB1 SER 80 16.534 5.684 3.895 610 HG SER 80 HG SER 80 19.017 5.908 3.831 611 H GLU 81 HN GLU 81 16.377 9.122 6.116 612 HA GLU 81 HA GLU 81 17.827 11.438 5.548 613 1HB GLU 81 HB2 GLU 81 17.563 10.012 8.208 614 2HB GLU 81 HB1 GLU 81 18.076 11.685 7.990 615 1HG GLU 81 HG2 GLU 81 15.912 12.214 6.932 616 2HG GLU 81 HG1 GLU 81 15.395 10.543 7.151 Start of MODEL 13 1 1H MET 1 HT1 MET 1 -14.145 4.194 -1.695 2 2H MET 1 HT2 MET 1 -13.442 4.667 -0.223 3 3H MET 1 HT3 MET 1 -14.893 3.783 -0.230 4 HA MET 1 HA MET 1 -13.875 1.832 -0.439 5 1HB MET 1 HB2 MET 1 -13.318 2.435 -2.803 6 2HB MET 1 HB1 MET 1 -11.833 3.191 -2.229 7 1HG MET 1 HG2 MET 1 -11.050 1.052 -1.335 8 2HG MET 1 HG1 MET 1 -12.564 0.280 -1.802 9 1HE MET 1 HE1 MET 1 -9.104 1.698 -4.398 10 2HE MET 1 HE2 MET 1 -9.450 2.049 -2.706 11 3HE MET 1 HE3 MET 1 -10.283 2.943 -3.972 12 H ARG 2 HN ARG 2 -12.392 0.852 0.964 13 HA ARG 2 HA ARG 2 -10.351 2.629 2.183 14 1HB ARG 2 HB2 ARG 2 -12.169 0.628 3.541 15 2HB ARG 2 HB1 ARG 2 -10.736 1.308 4.311 16 1HG ARG 2 HG2 ARG 2 -11.638 3.583 3.985 17 2HG ARG 2 HG1 ARG 2 -13.075 2.903 3.219 18 1HD ARG 2 HD2 ARG 2 -13.603 1.676 5.292 19 2HD ARG 2 HD1 ARG 2 -12.168 2.349 6.059 20 HE ARG 2 HE ARG 2 -13.626 4.528 5.171 21 1HH1 ARG 2 HH11 ARG 2 -13.100 3.004 8.013 22 2HH1 ARG 2 HH12 ARG 2 -14.652 3.297 8.725 23 1HH2 ARG 2 HH21 ARG 2 -16.095 4.392 5.766 24 2HH2 ARG 2 HH22 ARG 2 -16.348 4.084 7.451 25 H ILE 3 HN ILE 3 -8.360 1.856 2.267 26 HA ILE 3 HA ILE 3 -7.876 -0.990 1.535 27 HB ILE 3 HB ILE 3 -6.229 1.476 0.965 28 1HG1 ILE 3 HG12 ILE 3 -7.633 -0.429 -0.924 29 2HG1 ILE 3 HG11 ILE 3 -8.359 1.076 -0.360 30 1HG2 ILE 3 HG21 ILE 3 -4.712 -0.341 1.315 31 2HG2 ILE 3 HG22 ILE 3 -4.925 -0.221 -0.431 32 3HG2 ILE 3 HG23 ILE 3 -5.770 -1.475 0.475 33 1HD1 ILE 3 HD11 ILE 3 -6.700 2.401 -1.412 34 2HD1 ILE 3 HD12 ILE 3 -7.109 1.161 -2.596 35 3HD1 ILE 3 HD13 ILE 3 -5.631 1.017 -1.648 36 H GLU 4 HN GLU 4 -6.903 -2.125 3.127 37 HA GLU 4 HA GLU 4 -5.245 -0.666 5.133 38 1HB GLU 4 HB2 GLU 4 -6.984 -3.119 5.610 39 2HB GLU 4 HB1 GLU 4 -6.022 -2.274 6.824 40 1HG GLU 4 HG2 GLU 4 -8.215 -0.933 5.225 41 2HG GLU 4 HG1 GLU 4 -8.490 -1.677 6.798 42 H VAL 5 HN VAL 5 -3.226 -1.307 5.340 43 HA VAL 5 HA VAL 5 -2.445 -3.963 4.241 44 HB VAL 5 HB VAL 5 -0.845 -1.396 4.278 45 1HG1 VAL 5 HG11 VAL 5 -0.242 -4.192 3.291 46 2HG1 VAL 5 HG12 VAL 5 0.652 -3.261 4.492 47 3HG1 VAL 5 HG13 VAL 5 0.688 -2.778 2.797 48 1HG2 VAL 5 HG21 VAL 5 -2.056 -2.925 1.954 49 2HG2 VAL 5 HG22 VAL 5 -1.126 -1.429 1.850 50 3HG2 VAL 5 HG23 VAL 5 -2.710 -1.431 2.624 51 H THR 6 HN THR 6 -1.323 -5.313 5.534 52 HA THR 6 HA THR 6 -0.254 -4.243 8.098 53 HB THR 6 HB THR 6 -0.794 -6.508 9.048 54 HG1 THR 6 HG1 THR 6 -1.824 -6.729 6.467 55 1HG2 THR 6 HG21 THR 6 -3.248 -5.091 7.992 56 2HG2 THR 6 HG22 THR 6 -2.240 -4.400 9.264 57 3HG2 THR 6 HG23 THR 6 -3.062 -5.940 9.525 58 H ILE 7 HN ILE 7 1.724 -4.779 8.641 59 HA ILE 7 HA ILE 7 3.252 -6.606 6.880 60 HB ILE 7 HB ILE 7 3.940 -4.033 8.294 61 1HG1 ILE 7 HG12 ILE 7 4.463 -4.956 5.453 62 2HG1 ILE 7 HG11 ILE 7 3.008 -4.086 5.939 63 1HG2 ILE 7 HG21 ILE 7 5.796 -6.218 7.297 64 2HG2 ILE 7 HG22 ILE 7 5.812 -5.406 8.863 65 3HG2 ILE 7 HG23 ILE 7 6.325 -4.539 7.417 66 1HD1 ILE 7 HD11 ILE 7 5.853 -3.085 6.255 67 2HD1 ILE 7 HD12 ILE 7 4.403 -2.218 6.762 68 3HD1 ILE 7 HD13 ILE 7 4.693 -2.527 5.050 69 H ALA 8 HN ALA 8 4.232 -8.315 7.829 70 HA ALA 8 HA ALA 8 3.682 -9.003 10.509 71 1HB ALA 8 HB1 ALA 8 4.101 -10.734 8.900 72 2HB ALA 8 HB2 ALA 8 5.403 -10.800 10.088 73 3HB ALA 8 HB3 ALA 8 5.684 -10.062 8.510 74 H LYS 9 HN LYS 9 4.646 -8.614 12.246 75 HA LYS 9 HA LYS 9 6.598 -6.654 12.558 76 1HB LYS 9 HB2 LYS 9 4.986 -7.162 14.328 77 2HB LYS 9 HB1 LYS 9 5.652 -8.780 14.508 78 1HG LYS 9 HG2 LYS 9 7.806 -7.814 15.263 79 2HG LYS 9 HG1 LYS 9 7.140 -6.187 15.089 80 1HD LYS 9 HD2 LYS 9 5.454 -6.643 16.772 81 2HD LYS 9 HD1 LYS 9 5.963 -8.329 16.875 82 1HE LYS 9 HE2 LYS 9 8.118 -7.698 17.760 83 2HE LYS 9 HE1 LYS 9 7.789 -5.988 17.470 84 1HZ LYS 9 HZ1 LYS 9 6.104 -7.665 19.235 85 2HZ LYS 9 HZ2 LYS 9 6.134 -5.970 19.117 86 3HZ LYS 9 HZ3 LYS 9 7.445 -6.800 19.808 87 H THR 10 HN THR 10 6.959 -10.058 12.029 88 HA THR 10 HA THR 10 9.566 -10.423 13.068 89 HB THR 10 HB THR 10 9.629 -12.312 11.388 90 HG1 THR 10 HG1 THR 10 6.990 -11.417 10.877 91 1HG2 THR 10 HG21 THR 10 8.150 -13.657 12.631 92 2HG2 THR 10 HG22 THR 10 7.017 -12.334 12.893 93 3HG2 THR 10 HG23 THR 10 8.551 -12.364 13.759 94 H SER 11 HN SER 11 8.412 -8.531 10.501 95 HA SER 11 HA SER 11 11.123 -8.384 9.284 96 1HB SER 11 HB2 SER 11 8.403 -8.097 7.990 97 2HB SER 11 HB1 SER 11 9.918 -7.660 7.203 98 HG SER 11 HG SER 11 10.302 -10.038 8.192 99 HA PRO 12 HA PRO 12 10.010 -4.203 10.995 100 1HB PRO 12 HB2 PRO 12 12.694 -4.002 12.049 101 2HB PRO 12 HB1 PRO 12 11.188 -4.161 12.971 102 1HG PRO 12 HG2 PRO 12 13.178 -6.092 12.818 103 2HG PRO 12 HG1 PRO 12 11.501 -6.387 13.305 104 1HD PRO 12 HD2 PRO 12 12.828 -6.951 10.681 105 2HD PRO 12 HD1 PRO 12 11.515 -7.817 11.497 106 H LEU 13 HN LEU 13 10.075 -2.446 9.965 107 HA LEU 13 HA LEU 13 12.195 -2.092 7.937 108 1HB LEU 13 HB2 LEU 13 9.468 -0.787 8.040 109 2HB LEU 13 HB1 LEU 13 10.613 -0.757 6.702 110 HG LEU 13 HG LEU 13 9.115 -3.171 7.762 111 1HD1 LEU 13 HD11 LEU 13 9.109 -1.773 5.063 112 2HD1 LEU 13 HD12 LEU 13 7.797 -1.769 6.242 113 3HD1 LEU 13 HD13 LEU 13 8.248 -3.265 5.431 114 1HD2 LEU 13 HD21 LEU 13 10.312 -4.277 5.715 115 2HD2 LEU 13 HD22 LEU 13 11.219 -4.083 7.212 116 3HD2 LEU 13 HD23 LEU 13 11.469 -2.957 5.879 117 HA PRO 14 HA PRO 14 13.954 1.101 10.294 118 1HB PRO 14 HB2 PRO 14 14.058 3.163 8.238 119 2HB PRO 14 HB1 PRO 14 15.379 2.132 8.814 120 1HG PRO 14 HG2 PRO 14 13.756 1.876 6.393 121 2HG PRO 14 HG1 PRO 14 15.296 1.102 6.795 122 1HD PRO 14 HD2 PRO 14 12.861 -0.226 6.681 123 2HD PRO 14 HD1 PRO 14 14.264 -0.798 7.604 124 H ALA 15 HN ALA 15 13.549 2.872 11.447 125 HA ALA 15 HA ALA 15 10.940 3.503 12.146 126 1HB ALA 15 HB1 ALA 15 11.891 5.149 13.586 127 2HB ALA 15 HB2 ALA 15 13.343 5.263 12.592 128 3HB ALA 15 HB3 ALA 15 13.018 3.794 13.510 129 H GLY 16 HN GLY 16 10.804 3.932 9.419 130 1HA GLY 16 HA2 GLY 16 9.717 6.567 9.245 131 2HA GLY 16 HA1 GLY 16 11.256 6.492 8.424 132 H ALA 17 HN ALA 17 10.630 3.534 8.031 133 HA ALA 17 HA ALA 17 9.736 3.761 5.328 134 1HB ALA 17 HB1 ALA 17 11.259 2.028 5.656 135 2HB ALA 17 HB2 ALA 17 9.721 1.165 5.595 136 3HB ALA 17 HB3 ALA 17 10.485 1.510 7.150 137 H ILE 18 HN ILE 18 7.958 2.575 8.182 138 HA ILE 18 HA ILE 18 5.799 1.678 6.653 139 HB ILE 18 HB ILE 18 6.197 2.480 9.512 140 1HG1 ILE 18 HG12 ILE 18 5.310 0.193 9.876 141 2HG1 ILE 18 HG11 ILE 18 5.023 0.038 8.145 142 1HG2 ILE 18 HG21 ILE 18 4.062 3.515 9.204 143 2HG2 ILE 18 HG22 ILE 18 3.742 1.942 9.934 144 3HG2 ILE 18 HG23 ILE 18 3.487 2.181 8.208 145 1HD1 ILE 18 HD11 ILE 18 7.157 -1.025 8.839 146 2HD1 ILE 18 HD12 ILE 18 7.733 0.544 9.406 147 3HD1 ILE 18 HD13 ILE 18 7.409 0.291 7.692 148 H ASP 19 HN ASP 19 6.359 4.839 8.219 149 HA ASP 19 HA ASP 19 3.983 6.043 7.227 150 1HB ASP 19 HB2 ASP 19 6.602 7.205 8.208 151 2HB ASP 19 HB1 ASP 19 5.275 8.224 7.654 152 H ALA 20 HN ALA 20 7.246 5.785 5.835 153 HA ALA 20 HA ALA 20 6.646 7.509 3.687 154 1HB ALA 20 HB1 ALA 20 8.617 5.266 3.351 155 2HB ALA 20 HB2 ALA 20 8.959 6.554 4.498 156 3HB ALA 20 HB3 ALA 20 8.723 6.936 2.794 157 H LEU 21 HN LEU 21 6.325 4.013 4.079 158 HA LEU 21 HA LEU 21 5.605 3.356 1.475 159 1HB LEU 21 HB2 LEU 21 6.270 1.662 3.045 160 2HB LEU 21 HB1 LEU 21 4.974 2.103 4.152 161 HG LEU 21 HG LEU 21 3.322 1.376 2.485 162 1HD1 LEU 21 HD11 LEU 21 5.793 0.670 0.898 163 2HD1 LEU 21 HD12 LEU 21 4.448 1.690 0.391 164 3HD1 LEU 21 HD13 LEU 21 4.220 -0.046 0.562 165 1HD2 LEU 21 HD21 LEU 21 3.706 -1.022 2.709 166 2HD2 LEU 21 HD22 LEU 21 4.180 -0.198 4.194 167 3HD2 LEU 21 HD23 LEU 21 5.411 -0.732 3.051 168 H ALA 22 HN ALA 22 3.582 4.162 4.265 169 HA ALA 22 HA ALA 22 1.064 3.882 2.973 170 1HB ALA 22 HB1 ALA 22 1.878 5.653 5.294 171 2HB ALA 22 HB2 ALA 22 1.214 4.022 5.412 172 3HB ALA 22 HB3 ALA 22 0.216 5.338 4.793 173 H GLY 23 HN GLY 23 3.316 6.615 3.147 174 1HA GLY 23 HA2 GLY 23 1.530 8.458 1.885 175 2HA GLY 23 HA1 GLY 23 3.290 8.617 2.082 176 H GLU 24 HN GLU 24 4.205 6.417 0.579 177 HA GLU 24 HA GLU 24 3.883 7.436 -2.032 178 1HB GLU 24 HB2 GLU 24 5.907 6.159 -1.259 179 2HB GLU 24 HB1 GLU 24 4.940 4.687 -1.251 180 1HG GLU 24 HG2 GLU 24 6.147 4.794 -3.353 181 2HG GLU 24 HG1 GLU 24 4.440 5.072 -3.686 182 H LEU 25 HN LEU 25 2.391 4.710 -0.380 183 HA LEU 25 HA LEU 25 1.061 3.676 -2.645 184 1HB LEU 25 HB2 LEU 25 0.427 3.464 0.288 185 2HB LEU 25 HB1 LEU 25 -0.529 2.648 -0.944 186 HG LEU 25 HG LEU 25 2.468 2.310 -0.644 187 1HD1 LEU 25 HD11 LEU 25 1.322 1.504 1.365 188 2HD1 LEU 25 HD12 LEU 25 1.883 0.131 0.414 189 3HD1 LEU 25 HD13 LEU 25 0.183 0.597 0.378 190 1HD2 LEU 25 HD21 LEU 25 1.968 1.570 -2.816 191 2HD2 LEU 25 HD22 LEU 25 0.338 1.057 -2.379 192 3HD2 LEU 25 HD23 LEU 25 1.729 0.089 -1.898 193 H SER 26 HN SER 26 0.006 6.080 -0.274 194 HA SER 26 HA SER 26 -2.667 6.278 -1.151 195 1HB SER 26 HB2 SER 26 -1.834 7.189 0.989 196 2HB SER 26 HB1 SER 26 -0.946 8.425 0.102 197 HG SER 26 HG SER 26 -2.828 9.400 0.505 198 H ARG 27 HN ARG 27 0.199 8.228 -2.077 199 HA ARG 27 HA ARG 27 -1.180 9.984 -3.813 200 1HB ARG 27 HB2 ARG 27 1.131 10.386 -3.041 201 2HB ARG 27 HB1 ARG 27 1.680 8.999 -3.984 202 1HG ARG 27 HG2 ARG 27 0.996 10.058 -6.054 203 2HG ARG 27 HG1 ARG 27 0.245 11.388 -5.172 204 1HD ARG 27 HD2 ARG 27 2.400 12.117 -4.335 205 2HD ARG 27 HD1 ARG 27 3.191 10.706 -5.033 206 HE ARG 27 HE ARG 27 1.800 12.240 -7.016 207 1HH1 ARG 27 HH21 ARG 27 4.403 12.737 -4.856 208 2HH1 ARG 27 HH22 ARG 27 5.501 13.312 -6.064 209 1HH2 ARG 27 HH11 ARG 27 3.334 12.692 -8.702 210 2HH2 ARG 27 HH12 ARG 27 4.894 13.290 -8.246 211 H ARG 28 HN ARG 28 0.352 6.827 -4.451 212 HA ARG 28 HA ARG 28 -0.097 6.860 -7.234 213 1HB ARG 28 HB2 ARG 28 1.443 5.282 -6.190 214 2HB ARG 28 HB1 ARG 28 0.099 4.495 -5.365 215 1HG ARG 28 HG2 ARG 28 0.780 3.272 -7.410 216 2HG ARG 28 HG1 ARG 28 -0.882 3.840 -7.518 217 1HD ARG 28 HD2 ARG 28 0.780 4.202 -9.542 218 2HD ARG 28 HD1 ARG 28 -0.353 5.474 -9.097 219 HE ARG 28 HE ARG 28 1.447 6.769 -8.397 220 1HH1 ARG 28 HH21 ARG 28 2.855 4.701 -10.376 221 2HH1 ARG 28 HH22 ARG 28 4.339 4.470 -9.514 222 1HH2 ARG 28 HH11 ARG 28 3.178 5.948 -6.597 223 2HH2 ARG 28 HH12 ARG 28 4.522 5.176 -7.369 224 H ILE 29 HN ILE 29 -2.049 5.748 -4.544 225 HA ILE 29 HA ILE 29 -4.132 4.542 -6.006 226 HB ILE 29 HB ILE 29 -3.986 5.766 -3.260 227 1HG1 ILE 29 HG12 ILE 29 -2.762 3.578 -3.960 228 2HG1 ILE 29 HG11 ILE 29 -3.708 3.565 -2.478 229 1HG2 ILE 29 HG21 ILE 29 -6.330 4.467 -4.643 230 2HG2 ILE 29 HG22 ILE 29 -6.280 5.996 -3.766 231 3HG2 ILE 29 HG23 ILE 29 -6.172 4.473 -2.886 232 1HD1 ILE 29 HD11 ILE 29 -4.653 2.524 -5.177 233 2HD1 ILE 29 HD12 ILE 29 -5.582 2.492 -3.688 234 3HD1 ILE 29 HD13 ILE 29 -4.117 1.538 -3.826 235 H GLN 30 HN GLN 30 -3.757 7.816 -4.769 236 HA GLN 30 HA GLN 30 -6.301 8.806 -5.636 237 1HB GLN 30 HB2 GLN 30 -3.678 10.222 -5.089 238 2HB GLN 30 HB1 GLN 30 -5.166 11.061 -5.513 239 1HG GLN 30 HG2 GLN 30 -6.284 10.134 -3.524 240 2HG GLN 30 HG1 GLN 30 -4.827 9.243 -3.097 241 1HE2 GLN 30 HE21 GLN 30 -6.146 11.381 -1.516 242 2HE2 GLN 30 HE22 GLN 30 -4.981 12.603 -1.333 243 H TYR 31 HN TYR 31 -3.158 8.674 -7.327 244 HA TYR 31 HA TYR 31 -4.125 10.086 -9.587 245 1HB TYR 31 HB2 TYR 31 -1.718 9.805 -9.184 246 2HB TYR 31 HB1 TYR 31 -1.880 8.062 -9.399 247 HD1 TYR 31 HD1 TYR 31 -2.317 11.346 -11.130 248 HD2 TYR 31 HD2 TYR 31 -1.913 7.090 -11.567 249 HE1 TYR 31 HE1 TYR 31 -2.084 11.618 -13.583 250 HE2 TYR 31 HE2 TYR 31 -1.680 7.364 -14.019 251 HH TYR 31 HH TYR 31 -2.334 10.359 -15.604 252 H ALA 32 HN ALA 32 -4.069 6.665 -8.701 253 HA ALA 32 HA ALA 32 -5.008 5.711 -11.203 254 1HB ALA 32 HB1 ALA 32 -3.834 4.262 -9.649 255 2HB ALA 32 HB2 ALA 32 -5.445 3.616 -9.961 256 3HB ALA 32 HB3 ALA 32 -5.112 4.465 -8.451 257 H PHE 33 HN PHE 33 -6.584 6.645 -8.183 258 HA PHE 33 HA PHE 33 -9.253 6.319 -9.462 259 1HB PHE 33 HB2 PHE 33 -8.495 6.093 -6.550 260 2HB PHE 33 HB1 PHE 33 -10.138 6.022 -7.185 261 HD1 PHE 33 HD1 PHE 33 -6.907 4.272 -6.946 262 HD2 PHE 33 HD2 PHE 33 -10.897 4.124 -8.530 263 HE1 PHE 33 HE1 PHE 33 -6.615 1.864 -7.461 264 HE2 PHE 33 HE2 PHE 33 -10.608 1.717 -9.039 265 HZ PHE 33 HZ PHE 33 -8.467 0.584 -8.504 266 HA PRO 34 HA PRO 34 -8.760 10.821 -8.586 267 1HB PRO 34 HB2 PRO 34 -10.328 11.372 -10.957 268 2HB PRO 34 HB1 PRO 34 -8.619 11.709 -10.655 269 1HG PRO 34 HG2 PRO 34 -9.597 9.822 -12.441 270 2HG PRO 34 HG1 PRO 34 -7.949 9.872 -11.796 271 1HD PRO 34 HD2 PRO 34 -10.215 8.089 -11.027 272 2HD PRO 34 HD1 PRO 34 -8.462 7.794 -10.972 273 H ASP 35 HN ASP 35 -11.568 8.924 -9.424 274 HA ASP 35 HA ASP 35 -13.493 10.906 -8.502 275 1HB ASP 35 HB2 ASP 35 -13.761 8.199 -9.790 276 2HB ASP 35 HB1 ASP 35 -15.143 9.152 -9.253 277 H ASN 36 HN ASN 36 -11.837 8.264 -6.968 278 HA ASN 36 HA ASN 36 -14.064 8.043 -5.004 279 1HB ASN 36 HB2 ASN 36 -12.170 5.961 -6.045 280 2HB ASN 36 HB1 ASN 36 -13.160 5.726 -4.607 281 1HD2 ASN 36 HD21 ASN 36 -13.465 4.207 -7.099 282 2HD2 ASN 36 HD22 ASN 36 -15.013 4.557 -7.701 283 H GLU 37 HN GLU 37 -13.464 8.578 -2.811 284 HA GLU 37 HA GLU 37 -10.924 9.488 -2.131 285 1HB GLU 37 HB2 GLU 37 -11.803 9.272 0.155 286 2HB GLU 37 HB1 GLU 37 -12.898 10.104 -0.944 287 1HG GLU 37 HG2 GLU 37 -14.019 7.796 -1.280 288 2HG GLU 37 HG1 GLU 37 -13.121 7.296 0.149 289 H GLY 38 HN GLY 38 -9.108 8.274 -1.791 290 1HA GLY 38 HA2 GLY 38 -9.380 5.371 -1.118 291 2HA GLY 38 HA1 GLY 38 -8.049 5.952 -1.868 292 H HIS 39 HN HIS 39 -8.866 4.887 1.141 293 HA HIS 39 HA HIS 39 -6.986 6.757 2.439 294 1HB HIS 39 HB2 HIS 39 -9.177 5.057 3.669 295 2HB HIS 39 HB1 HIS 39 -8.062 6.088 4.567 296 HD1 HIS 39 HD1 HIS 39 -8.052 8.713 3.485 297 HD2 HIS 39 HD2 HIS 39 -11.510 6.416 3.096 298 HE1 HIS 39 HE1 HIS 39 -9.940 10.335 3.020 299 H VAL 40 HN VAL 40 -5.032 5.783 2.897 300 HA VAL 40 HA VAL 40 -4.905 2.841 2.903 301 HB VAL 40 HB VAL 40 -2.800 4.886 2.197 302 1HG1 VAL 40 HG11 VAL 40 -1.692 2.718 1.326 303 2HG1 VAL 40 HG12 VAL 40 -2.811 1.874 2.392 304 3HG1 VAL 40 HG13 VAL 40 -1.646 3.016 3.062 305 1HG2 VAL 40 HG21 VAL 40 -3.125 3.902 -0.091 306 2HG2 VAL 40 HG22 VAL 40 -4.562 4.741 0.500 307 3HG2 VAL 40 HG23 VAL 40 -4.488 2.979 0.537 308 H SER 41 HN SER 41 -4.218 1.855 4.675 309 HA SER 41 HA SER 41 -2.748 3.406 6.736 310 1HB SER 41 HB2 SER 41 -4.955 3.153 7.637 311 2HB SER 41 HB1 SER 41 -5.021 1.459 7.165 312 HG SER 41 HG SER 41 -3.477 0.993 8.693 313 H VAL 42 HN VAL 42 -1.090 2.418 7.768 314 HA VAL 42 HA VAL 42 -0.510 -0.387 7.055 315 HB VAL 42 HB VAL 42 1.493 1.891 7.078 316 1HG1 VAL 42 HG11 VAL 42 2.548 -0.118 7.896 317 2HG1 VAL 42 HG12 VAL 42 3.048 0.090 6.219 318 3HG1 VAL 42 HG13 VAL 42 1.801 -1.089 6.625 319 1HG2 VAL 42 HG21 VAL 42 1.602 1.725 4.730 320 2HG2 VAL 42 HG22 VAL 42 -0.124 1.609 5.062 321 3HG2 VAL 42 HG23 VAL 42 0.807 0.154 4.709 322 H ARG 43 HN ARG 43 -0.076 -1.646 8.737 323 HA ARG 43 HA ARG 43 1.103 -0.470 11.143 324 1HB ARG 43 HB2 ARG 43 -1.449 -2.095 11.316 325 2HB ARG 43 HB1 ARG 43 -0.610 -1.280 12.636 326 1HG ARG 43 HG2 ARG 43 -1.008 0.899 11.453 327 2HG ARG 43 HG1 ARG 43 -1.999 0.018 10.285 328 1HD ARG 43 HD2 ARG 43 -3.417 -0.797 12.173 329 2HD ARG 43 HD1 ARG 43 -2.487 0.224 13.267 330 HE ARG 43 HE ARG 43 -3.371 1.890 11.233 331 1HH1 ARG 43 HH11 ARG 43 -4.103 1.840 14.278 332 2HH1 ARG 43 HH12 ARG 43 -5.831 1.872 14.171 333 1HH2 ARG 43 HH21 ARG 43 -5.903 1.048 10.804 334 2HH2 ARG 43 HH22 ARG 43 -6.851 1.423 12.204 335 H TYR 44 HN TYR 44 1.816 -2.088 12.705 336 HA TYR 44 HA TYR 44 2.803 -4.506 11.393 337 1HB TYR 44 HB2 TYR 44 3.215 -3.319 14.151 338 2HB TYR 44 HB1 TYR 44 3.875 -4.878 13.670 339 HD1 TYR 44 HD1 TYR 44 5.191 -4.846 11.343 340 HD2 TYR 44 HD2 TYR 44 4.564 -1.427 13.871 341 HE1 TYR 44 HE1 TYR 44 7.165 -3.735 10.336 342 HE2 TYR 44 HE2 TYR 44 6.533 -0.316 12.855 343 HH TYR 44 HH TYR 44 8.485 -1.954 10.360 344 H ALA 45 HN ALA 45 2.155 -6.537 11.737 345 HA ALA 45 HA ALA 45 0.134 -7.087 13.805 346 1HB ALA 45 HB1 ALA 45 -0.182 -7.843 10.886 347 2HB ALA 45 HB2 ALA 45 -1.093 -6.574 11.707 348 3HB ALA 45 HB3 ALA 45 -1.286 -8.257 12.198 349 H ALA 46 HN ALA 46 -0.210 -9.526 13.981 350 HA ALA 46 HA ALA 46 2.299 -10.774 14.306 351 1HB ALA 46 HB1 ALA 46 -0.293 -12.301 13.990 352 2HB ALA 46 HB2 ALA 46 0.062 -11.386 15.455 353 3HB ALA 46 HB3 ALA 46 1.105 -12.724 14.977 354 H ALA 47 HN ALA 47 0.151 -10.607 11.559 355 HA ALA 47 HA ALA 47 2.168 -12.122 10.015 356 1HB ALA 47 HB1 ALA 47 -0.776 -12.582 9.589 357 2HB ALA 47 HB2 ALA 47 0.148 -13.540 10.746 358 3HB ALA 47 HB3 ALA 47 0.585 -13.560 9.037 359 H ASN 48 HN ASN 48 2.256 -11.722 7.784 360 HA ASN 48 HA ASN 48 1.588 -9.028 6.990 361 1HB ASN 48 HB2 ASN 48 2.642 -11.421 5.453 362 2HB ASN 48 HB1 ASN 48 2.404 -9.827 4.742 363 1HD2 ASN 48 HD21 ASN 48 4.762 -11.746 6.109 364 2HD2 ASN 48 HD22 ASN 48 5.809 -10.532 6.668 365 H ASN 49 HN ASN 49 -0.341 -8.392 6.121 366 HA ASN 49 HA ASN 49 -1.936 -10.251 4.532 367 1HB ASN 49 HB2 ASN 49 -2.608 -10.624 6.933 368 2HB ASN 49 HB1 ASN 49 -3.154 -8.949 6.970 369 1HD2 ASN 49 HD21 ASN 49 -5.414 -9.036 6.831 370 2HD2 ASN 49 HD22 ASN 49 -6.271 -9.955 5.690 371 H LEU 50 HN LEU 50 -3.465 -9.196 3.230 372 HA LEU 50 HA LEU 50 -3.414 -6.232 3.238 373 1HB LEU 50 HB2 LEU 50 -1.982 -7.171 1.437 374 2HB LEU 50 HB1 LEU 50 -3.361 -8.072 0.821 375 HG LEU 50 HG LEU 50 -3.872 -5.151 1.188 376 1HD1 LEU 50 HD11 LEU 50 -1.988 -6.082 -1.006 377 2HD1 LEU 50 HD12 LEU 50 -1.526 -5.082 0.372 378 3HD1 LEU 50 HD13 LEU 50 -2.660 -4.462 -0.825 379 1HD2 LEU 50 HD21 LEU 50 -4.976 -5.401 -0.967 380 2HD2 LEU 50 HD22 LEU 50 -5.446 -6.748 0.071 381 3HD2 LEU 50 HD23 LEU 50 -4.246 -6.989 -1.201 382 H SER 51 HN SER 51 -5.500 -5.498 3.528 383 HA SER 51 HA SER 51 -7.745 -7.255 2.672 384 1HB SER 51 HB2 SER 51 -7.700 -7.242 5.061 385 2HB SER 51 HB1 SER 51 -7.455 -5.499 5.112 386 HG SER 51 HG SER 51 -9.752 -6.988 4.610 387 H VAL 52 HN VAL 52 -9.176 -6.292 1.289 388 HA VAL 52 HA VAL 52 -9.140 -3.348 1.059 389 HB VAL 52 HB VAL 52 -9.570 -5.340 -1.183 390 1HG1 VAL 52 HG11 VAL 52 -9.486 -2.321 -1.051 391 2HG1 VAL 52 HG12 VAL 52 -10.797 -3.343 -1.640 392 3HG1 VAL 52 HG13 VAL 52 -9.299 -3.212 -2.562 393 1HG2 VAL 52 HG21 VAL 52 -7.260 -5.415 -0.623 394 2HG2 VAL 52 HG22 VAL 52 -7.187 -3.673 -0.354 395 3HG2 VAL 52 HG23 VAL 52 -7.370 -4.307 -1.991 396 H ILE 53 HN ILE 53 -11.087 -2.427 1.472 397 HA ILE 53 HA ILE 53 -13.510 -4.132 1.251 398 HB ILE 53 HB ILE 53 -12.965 -1.860 3.180 399 1HG1 ILE 53 HG12 ILE 53 -13.286 -4.800 3.839 400 2HG1 ILE 53 HG11 ILE 53 -11.703 -4.079 3.540 401 1HG2 ILE 53 HG21 ILE 53 -15.308 -1.972 2.699 402 2HG2 ILE 53 HG22 ILE 53 -15.081 -2.810 4.235 403 3HG2 ILE 53 HG23 ILE 53 -15.300 -3.735 2.749 404 1HD1 ILE 53 HD11 ILE 53 -11.902 -2.608 5.392 405 2HD1 ILE 53 HD12 ILE 53 -12.484 -4.164 5.984 406 3HD1 ILE 53 HD13 ILE 53 -13.635 -2.902 5.541 407 H GLY 54 HN GLY 54 -15.035 -3.417 -0.120 408 1HA GLY 54 HA2 GLY 54 -16.470 -1.790 -1.062 409 2HA GLY 54 HA1 GLY 54 -15.309 -0.540 -0.626 410 H ALA 55 HN ALA 55 -13.929 -3.297 -2.194 411 HA ALA 55 HA ALA 55 -13.861 -1.789 -4.756 412 1HB ALA 55 HB1 ALA 55 -11.591 -3.538 -3.837 413 2HB ALA 55 HB2 ALA 55 -11.713 -1.865 -3.296 414 3HB ALA 55 HB3 ALA 55 -11.576 -2.226 -5.017 415 H THR 56 HN THR 56 -13.369 -3.024 -6.643 416 HA THR 56 HA THR 56 -14.812 -5.601 -6.868 417 HB THR 56 HB THR 56 -14.685 -5.148 -9.201 418 HG1 THR 56 HG1 THR 56 -13.015 -4.113 -9.885 419 1HG2 THR 56 HG21 THR 56 -15.876 -3.024 -9.345 420 2HG2 THR 56 HG22 THR 56 -15.257 -2.541 -7.766 421 3HG2 THR 56 HG23 THR 56 -16.390 -3.887 -7.894 422 H LYS 57 HN LYS 57 -13.890 -7.331 -7.944 423 HA LYS 57 HA LYS 57 -11.407 -8.149 -7.010 424 1HB LYS 57 HB2 LYS 57 -12.885 -9.112 -9.482 425 2HB LYS 57 HB1 LYS 57 -11.597 -9.984 -8.662 426 1HG LYS 57 HG2 LYS 57 -13.004 -10.145 -6.618 427 2HG LYS 57 HG1 LYS 57 -14.294 -9.265 -7.448 428 1HD LYS 57 HD2 LYS 57 -14.401 -11.048 -9.154 429 2HD LYS 57 HD1 LYS 57 -13.117 -11.922 -8.319 430 1HE LYS 57 HE2 LYS 57 -14.508 -12.213 -6.356 431 2HE LYS 57 HE1 LYS 57 -15.759 -11.174 -7.038 432 1HZ LYS 57 HZ1 LYS 57 -15.376 -13.935 -7.414 433 2HZ LYS 57 HZ2 LYS 57 -15.207 -13.154 -8.913 434 3HZ LYS 57 HZ3 LYS 57 -16.625 -12.951 -8.002 435 H GLU 58 HN GLU 58 -12.159 -6.619 -10.192 436 HA GLU 58 HA GLU 58 -9.535 -6.989 -11.241 437 1HB GLU 58 HB2 GLU 58 -11.588 -6.488 -12.594 438 2HB GLU 58 HB1 GLU 58 -11.563 -4.853 -11.931 439 1HG GLU 58 HG2 GLU 58 -9.304 -4.506 -12.850 440 2HG GLU 58 HG1 GLU 58 -9.314 -6.142 -13.502 441 H ASP 59 HN ASP 59 -11.062 -4.382 -9.359 442 HA ASP 59 HA ASP 59 -8.945 -2.526 -9.590 443 1HB ASP 59 HB2 ASP 59 -11.035 -2.939 -7.444 444 2HB ASP 59 HB1 ASP 59 -9.890 -1.597 -7.435 445 H LYS 60 HN LYS 60 -9.723 -5.075 -7.309 446 HA LYS 60 HA LYS 60 -7.534 -4.666 -5.557 447 1HB LYS 60 HB2 LYS 60 -9.520 -6.029 -4.940 448 2HB LYS 60 HB1 LYS 60 -9.031 -7.246 -6.118 449 1HG LYS 60 HG2 LYS 60 -6.909 -7.581 -4.893 450 2HG LYS 60 HG1 LYS 60 -7.400 -6.364 -3.714 451 1HD LYS 60 HD2 LYS 60 -9.347 -7.722 -3.093 452 2HD LYS 60 HD1 LYS 60 -8.913 -8.925 -4.308 453 1HE LYS 60 HE2 LYS 60 -8.083 -9.746 -2.215 454 2HE LYS 60 HE1 LYS 60 -6.682 -9.158 -3.109 455 1HZ LYS 60 HZ1 LYS 60 -7.279 -8.439 -0.602 456 2HZ LYS 60 HZ2 LYS 60 -8.009 -7.177 -1.475 457 3HZ LYS 60 HZ3 LYS 60 -6.352 -7.497 -1.665 458 H GLN 61 HN GLN 61 -7.744 -6.628 -8.537 459 HA GLN 61 HA GLN 61 -5.165 -7.782 -8.154 460 1HB GLN 61 HB2 GLN 61 -6.817 -7.246 -10.643 461 2HB GLN 61 HB1 GLN 61 -5.273 -8.102 -10.666 462 1HG GLN 61 HG2 GLN 61 -6.130 -9.847 -9.244 463 2HG GLN 61 HG1 GLN 61 -7.608 -8.939 -8.931 464 1HE2 GLN 61 HE21 GLN 61 -7.903 -11.510 -9.962 465 2HE2 GLN 61 HE22 GLN 61 -8.396 -11.429 -11.584 466 H ARG 62 HN ARG 62 -6.351 -4.793 -9.758 467 HA ARG 62 HA ARG 62 -3.859 -3.997 -10.756 468 1HB ARG 62 HB2 ARG 62 -5.977 -2.909 -11.455 469 2HB ARG 62 HB1 ARG 62 -6.178 -2.255 -9.831 470 1HG ARG 62 HG2 ARG 62 -4.070 -0.981 -10.083 471 2HG ARG 62 HG1 ARG 62 -3.869 -1.635 -11.706 472 1HD ARG 62 HD2 ARG 62 -5.986 -0.579 -12.395 473 2HD ARG 62 HD1 ARG 62 -6.193 0.067 -10.768 474 HE ARG 62 HE ARG 62 -3.741 0.999 -11.489 475 1HH1 ARG 62 HH11 ARG 62 -6.728 2.252 -11.615 476 2HH1 ARG 62 HH12 ARG 62 -6.533 3.199 -13.052 477 1HH2 ARG 62 HH21 ARG 62 -3.532 1.706 -13.946 478 2HH2 ARG 62 HH22 ARG 62 -4.722 2.890 -14.373 479 H ILE 63 HN ILE 63 -5.439 -3.321 -7.665 480 HA ILE 63 HA ILE 63 -3.381 -1.692 -6.655 481 HB ILE 63 HB ILE 63 -5.432 -3.370 -5.248 482 1HG1 ILE 63 HG12 ILE 63 -5.173 -0.366 -5.420 483 2HG1 ILE 63 HG11 ILE 63 -6.077 -1.307 -6.606 484 1HG2 ILE 63 HG21 ILE 63 -3.384 -1.476 -4.077 485 2HG2 ILE 63 HG22 ILE 63 -3.596 -3.183 -3.688 486 3HG2 ILE 63 HG23 ILE 63 -4.821 -2.012 -3.208 487 1HD1 ILE 63 HD11 ILE 63 -7.582 -0.459 -4.856 488 2HD1 ILE 63 HD12 ILE 63 -6.600 -1.244 -3.618 489 3HD1 ILE 63 HD13 ILE 63 -7.492 -2.219 -4.787 490 H SER 64 HN SER 64 -3.773 -5.193 -6.484 491 HA SER 64 HA SER 64 -1.479 -5.652 -4.874 492 1HB SER 64 HB2 SER 64 -3.114 -7.435 -5.363 493 2HB SER 64 HB1 SER 64 -2.649 -7.400 -7.062 494 HG SER 64 HG SER 64 -0.639 -7.696 -5.147 495 H GLU 65 HN GLU 65 -1.890 -5.344 -8.461 496 HA GLU 65 HA GLU 65 0.809 -5.834 -9.076 497 1HB GLU 65 HB2 GLU 65 -1.310 -4.205 -10.513 498 2HB GLU 65 HB1 GLU 65 0.293 -4.517 -11.185 499 1HG GLU 65 HG2 GLU 65 -0.103 -6.944 -11.020 500 2HG GLU 65 HG1 GLU 65 -1.700 -6.643 -10.341 501 H ILE 66 HN ILE 66 -0.892 -2.844 -8.236 502 HA ILE 66 HA ILE 66 1.247 -1.068 -8.635 503 HB ILE 66 HB ILE 66 -1.136 -0.990 -6.782 504 1HG1 ILE 66 HG12 ILE 66 -0.444 0.625 -9.257 505 2HG1 ILE 66 HG11 ILE 66 -1.418 -0.843 -9.289 506 1HG2 ILE 66 HG21 ILE 66 -0.515 1.515 -6.650 507 2HG2 ILE 66 HG22 ILE 66 1.100 1.004 -7.148 508 3HG2 ILE 66 HG23 ILE 66 0.407 0.397 -5.646 509 1HD1 ILE 66 HD11 ILE 66 -3.177 0.153 -8.072 510 2HD1 ILE 66 HD12 ILE 66 -2.656 1.433 -9.165 511 3HD1 ILE 66 HD13 ILE 66 -2.151 1.457 -7.478 512 H LEU 67 HN LEU 67 0.267 -2.838 -5.725 513 HA LEU 67 HA LEU 67 2.266 -1.817 -4.023 514 1HB LEU 67 HB2 LEU 67 0.428 -3.034 -3.033 515 2HB LEU 67 HB1 LEU 67 0.766 -4.453 -4.014 516 HG LEU 67 HG LEU 67 2.999 -4.658 -2.819 517 1HD1 LEU 67 HD11 LEU 67 1.855 -2.284 -1.355 518 2HD1 LEU 67 HD12 LEU 67 3.523 -2.608 -1.834 519 3HD1 LEU 67 HD13 LEU 67 2.824 -3.448 -0.455 520 1HD2 LEU 67 HD21 LEU 67 0.418 -4.782 -1.235 521 2HD2 LEU 67 HD22 LEU 67 1.935 -5.503 -0.696 522 3HD2 LEU 67 HD23 LEU 67 1.160 -6.079 -2.172 523 H GLN 68 HN GLN 68 2.236 -4.524 -6.280 524 HA GLN 68 HA GLN 68 4.819 -5.515 -5.609 525 1HB GLN 68 HB2 GLN 68 3.182 -5.691 -8.147 526 2HB GLN 68 HB1 GLN 68 4.732 -6.507 -7.930 527 1HG GLN 68 HG2 GLN 68 3.846 -7.714 -5.985 528 2HG GLN 68 HG1 GLN 68 2.308 -6.875 -6.148 529 1HE2 GLN 68 HE21 GLN 68 0.765 -7.874 -7.469 530 2HE2 GLN 68 HE22 GLN 68 1.104 -9.125 -8.565 531 H GLU 69 HN GLU 69 3.840 -3.299 -8.300 532 HA GLU 69 HA GLU 69 6.444 -2.868 -9.214 533 1HB GLU 69 HB2 GLU 69 3.996 -1.108 -9.367 534 2HB GLU 69 HB1 GLU 69 5.502 -0.771 -10.220 535 1HG GLU 69 HG2 GLU 69 5.353 -2.957 -11.355 536 2HG GLU 69 HG1 GLU 69 3.848 -3.296 -10.505 537 H THR 70 HN THR 70 4.623 -0.977 -6.798 538 HA THR 70 HA THR 70 6.523 1.059 -6.430 539 HB THR 70 HB THR 70 4.586 -0.148 -4.487 540 HG1 THR 70 HG1 THR 70 3.553 0.714 -6.237 541 1HG2 THR 70 HG21 THR 70 5.953 1.078 -3.060 542 2HG2 THR 70 HG22 THR 70 4.798 2.313 -3.561 543 3HG2 THR 70 HG23 THR 70 6.390 2.239 -4.316 544 H TRP 71 HN TRP 71 6.023 -1.959 -4.765 545 HA TRP 71 HA TRP 71 8.084 -1.834 -2.937 546 1HB TRP 71 HB2 TRP 71 6.143 -3.362 -2.931 547 2HB TRP 71 HB1 TRP 71 6.872 -4.234 -4.265 548 HD1 TRP 71 HD1 TRP 71 7.600 -6.447 -3.310 549 HE1 TRP 71 HE1 TRP 71 8.986 -7.248 -1.301 550 HE3 TRP 71 HE3 TRP 71 8.263 -2.003 -0.790 551 HZ2 TRP 71 HZ2 TRP 71 10.189 -6.190 1.045 552 HZ3 TRP 71 HZ3 TRP 71 9.521 -1.965 1.323 553 HH2 TRP 71 HH2 TRP 71 10.478 -4.047 2.254 554 H GLU 72 HN GLU 72 8.074 -2.995 -6.235 555 HA GLU 72 HA GLU 72 10.782 -3.901 -6.161 556 1HB GLU 72 HB2 GLU 72 8.853 -3.430 -8.441 557 2HB GLU 72 HB1 GLU 72 10.491 -4.038 -8.683 558 1HG GLU 72 HG2 GLU 72 8.500 -5.338 -6.811 559 2HG GLU 72 HG1 GLU 72 8.714 -5.835 -8.488 560 H SER 73 HN SER 73 9.395 -0.740 -6.591 561 HA SER 73 HA SER 73 11.918 0.201 -7.832 562 1HB SER 73 HB2 SER 73 10.647 2.255 -8.376 563 2HB SER 73 HB1 SER 73 9.874 0.820 -9.047 564 HG SER 73 HG SER 73 8.474 2.338 -7.884 565 H ALA 74 HN ALA 74 11.311 -0.449 -4.917 566 HA ALA 74 HA ALA 74 11.066 1.689 -3.292 567 1HB ALA 74 HB1 ALA 74 12.268 0.376 -1.639 568 2HB ALA 74 HB2 ALA 74 12.882 -0.677 -2.914 569 3HB ALA 74 HB3 ALA 74 11.152 -0.625 -2.569 570 H ASP 75 HN ASP 75 14.109 0.734 -4.869 571 HA ASP 75 HA ASP 75 15.793 2.401 -3.323 572 1HB ASP 75 HB2 ASP 75 16.084 1.259 -6.096 573 2HB ASP 75 HB1 ASP 75 17.357 2.181 -5.301 574 H ASP 76 HN ASP 76 13.589 3.217 -5.892 575 HA ASP 76 HA ASP 76 14.967 5.751 -6.490 576 1HB ASP 76 HB2 ASP 76 12.509 4.409 -7.619 577 2HB ASP 76 HB1 ASP 76 13.067 6.005 -8.116 578 H TRP 77 HN TRP 77 11.790 4.738 -5.170 579 HA TRP 77 HA TRP 77 11.181 7.555 -4.586 580 1HB TRP 77 HB2 TRP 77 8.981 6.908 -4.187 581 2HB TRP 77 HB1 TRP 77 9.512 5.958 -5.556 582 HD1 TRP 77 HD1 TRP 77 9.515 3.334 -5.302 583 HE1 TRP 77 HE1 TRP 77 8.808 1.738 -3.429 584 HE3 TRP 77 HE3 TRP 77 8.972 6.651 -1.349 585 HZ2 TRP 77 HZ2 TRP 77 8.114 1.805 -0.685 586 HZ3 TRP 77 HZ3 TRP 77 8.282 5.800 0.839 587 HH2 TRP 77 HH2 TRP 77 7.859 3.404 1.178 588 H PHE 78 HN PHE 78 12.435 4.867 -2.765 589 HA PHE 78 HA PHE 78 11.572 6.089 -0.220 590 1HB PHE 78 HB2 PHE 78 11.529 3.697 -0.193 591 2HB PHE 78 HB1 PHE 78 13.165 3.602 -0.815 592 HD1 PHE 78 HD1 PHE 78 15.118 4.057 0.577 593 HD2 PHE 78 HD2 PHE 78 11.127 4.426 2.153 594 HE1 PHE 78 HE1 PHE 78 16.033 4.188 2.864 595 HE2 PHE 78 HE2 PHE 78 12.057 4.549 4.445 596 HZ PHE 78 HZ PHE 78 14.508 4.430 4.804 597 H VAL 79 HN VAL 79 12.677 7.467 0.889 598 HA VAL 79 HA VAL 79 15.527 7.930 0.244 599 HB VAL 79 HB VAL 79 13.724 10.105 1.301 600 1HG1 VAL 79 HG11 VAL 79 16.123 10.552 1.091 601 2HG1 VAL 79 HG12 VAL 79 15.230 11.501 -0.096 602 3HG1 VAL 79 HG13 VAL 79 16.091 10.048 -0.600 603 1HG2 VAL 79 HG21 VAL 79 12.407 9.214 -0.539 604 2HG2 VAL 79 HG22 VAL 79 13.839 9.126 -1.571 605 3HG2 VAL 79 HG23 VAL 79 13.196 10.695 -1.092 606 H SER 80 HN SER 80 16.886 8.541 2.148 607 HA SER 80 HA SER 80 15.559 8.312 4.774 608 1HB SER 80 HB2 SER 80 16.368 6.035 4.221 609 2HB SER 80 HB1 SER 80 17.990 6.674 3.975 610 HG SER 80 HG SER 80 17.304 7.605 6.269 611 H GLU 81 HN GLU 81 16.427 9.563 6.308 612 HA GLU 81 HA GLU 81 19.085 10.735 5.972 613 1HB GLU 81 HB2 GLU 81 17.597 12.256 4.709 614 2HB GLU 81 HB1 GLU 81 16.606 12.466 6.154 615 1HG GLU 81 HG2 GLU 81 18.471 13.446 7.359 616 2HG GLU 81 HG1 GLU 81 19.566 13.104 6.018 Start of MODEL 14 1 1H MET 1 HT1 MET 1 -13.498 4.362 -0.086 2 2H MET 1 HT2 MET 1 -14.494 3.604 -1.235 3 3H MET 1 HT3 MET 1 -13.050 4.357 -1.722 4 HA MET 1 HA MET 1 -13.470 1.737 -0.531 5 1HB MET 1 HB2 MET 1 -11.340 2.973 -2.294 6 2HB MET 1 HB1 MET 1 -11.441 1.266 -1.870 7 1HG MET 1 HG2 MET 1 -13.844 1.377 -2.834 8 2HG MET 1 HG1 MET 1 -13.323 2.886 -3.579 9 1HE MET 1 HE1 MET 1 -10.007 1.804 -3.817 10 2HE MET 1 HE2 MET 1 -10.953 3.072 -4.596 11 3HE MET 1 HE3 MET 1 -10.184 1.828 -5.578 12 H ARG 2 HN ARG 2 -12.071 0.817 0.980 13 HA ARG 2 HA ARG 2 -10.085 2.629 2.238 14 1HB ARG 2 HB2 ARG 2 -12.009 2.307 3.745 15 2HB ARG 2 HB1 ARG 2 -11.823 0.557 3.619 16 1HG ARG 2 HG2 ARG 2 -9.579 0.704 4.622 17 2HG ARG 2 HG1 ARG 2 -9.721 2.460 4.708 18 1HD ARG 2 HD2 ARG 2 -11.530 0.473 6.113 19 2HD ARG 2 HD1 ARG 2 -10.245 1.404 6.879 20 HE ARG 2 HE ARG 2 -12.040 3.153 5.543 21 1HH1 ARG 2 HH21 ARG 2 -13.965 1.326 6.979 22 2HH1 ARG 2 HH22 ARG 2 -14.125 2.105 8.517 23 1HH2 ARG 2 HH11 ARG 2 -11.291 4.065 8.117 24 2HH2 ARG 2 HH12 ARG 2 -12.610 3.655 9.163 25 H ILE 3 HN ILE 3 -8.089 1.857 2.387 26 HA ILE 3 HA ILE 3 -7.607 -0.999 1.694 27 HB ILE 3 HB ILE 3 -5.932 1.452 1.123 28 1HG1 ILE 3 HG12 ILE 3 -6.327 0.358 -1.291 29 2HG1 ILE 3 HG11 ILE 3 -7.760 -0.304 -0.514 30 1HG2 ILE 3 HG21 ILE 3 -5.400 -1.501 0.819 31 2HG2 ILE 3 HG22 ILE 3 -4.390 -0.274 1.582 32 3HG2 ILE 3 HG23 ILE 3 -4.564 -0.304 -0.172 33 1HD1 ILE 3 HD11 ILE 3 -7.073 2.651 -0.476 34 2HD1 ILE 3 HD12 ILE 3 -8.598 1.897 -0.009 35 3HD1 ILE 3 HD13 ILE 3 -8.102 1.907 -1.697 36 H GLU 4 HN GLU 4 -6.699 -2.115 3.333 37 HA GLU 4 HA GLU 4 -5.042 -0.652 5.335 38 1HB GLU 4 HB2 GLU 4 -7.195 -1.364 6.321 39 2HB GLU 4 HB1 GLU 4 -6.862 -3.030 5.853 40 1HG GLU 4 HG2 GLU 4 -4.832 -3.022 7.266 41 2HG GLU 4 HG1 GLU 4 -5.164 -1.356 7.731 42 H VAL 5 HN VAL 5 -3.049 -1.331 5.550 43 HA VAL 5 HA VAL 5 -2.294 -4.004 4.470 44 HB VAL 5 HB VAL 5 -0.557 -1.535 4.566 45 1HG1 VAL 5 HG11 VAL 5 0.603 -3.724 4.527 46 2HG1 VAL 5 HG12 VAL 5 0.861 -2.820 3.036 47 3HG1 VAL 5 HG13 VAL 5 -0.289 -4.156 3.069 48 1HG2 VAL 5 HG21 VAL 5 -2.217 -0.935 3.002 49 2HG2 VAL 5 HG22 VAL 5 -2.418 -2.590 2.439 50 3HG2 VAL 5 HG23 VAL 5 -0.981 -1.678 1.988 51 H THR 6 HN THR 6 -1.195 -5.360 5.774 52 HA THR 6 HA THR 6 -0.124 -4.283 8.326 53 HB THR 6 HB THR 6 -0.651 -6.555 9.276 54 HG1 THR 6 HG1 THR 6 -2.588 -6.897 7.351 55 1HG2 THR 6 HG21 THR 6 -2.038 -4.506 9.660 56 2HG2 THR 6 HG22 THR 6 -2.986 -5.994 9.691 57 3HG2 THR 6 HG23 THR 6 -3.021 -4.957 8.266 58 H ILE 7 HN ILE 7 1.862 -4.811 8.854 59 HA ILE 7 HA ILE 7 3.389 -6.641 7.092 60 HB ILE 7 HB ILE 7 4.056 -4.072 8.508 61 1HG1 ILE 7 HG12 ILE 7 3.063 -4.262 6.094 62 2HG1 ILE 7 HG11 ILE 7 4.426 -3.187 6.372 63 1HG2 ILE 7 HG21 ILE 7 6.433 -4.560 7.496 64 2HG2 ILE 7 HG22 ILE 7 5.917 -6.249 7.550 65 3HG2 ILE 7 HG23 ILE 7 5.986 -5.299 9.034 66 1HD1 ILE 7 HD11 ILE 7 5.073 -6.005 5.602 67 2HD1 ILE 7 HD12 ILE 7 5.889 -4.502 5.179 68 3HD1 ILE 7 HD13 ILE 7 4.399 -4.956 4.356 69 H ALA 8 HN ALA 8 4.415 -8.343 8.065 70 HA ALA 8 HA ALA 8 3.861 -8.999 10.749 71 1HB ALA 8 HB1 ALA 8 4.338 -10.723 9.109 72 2HB ALA 8 HB2 ALA 8 5.547 -10.810 10.390 73 3HB ALA 8 HB3 ALA 8 5.952 -10.066 8.842 74 H LYS 9 HN LYS 9 4.789 -8.546 12.500 75 HA LYS 9 HA LYS 9 6.717 -6.557 12.805 76 1HB LYS 9 HB2 LYS 9 5.045 -7.135 14.547 77 2HB LYS 9 HB1 LYS 9 5.865 -8.667 14.812 78 1HG LYS 9 HG2 LYS 9 6.596 -7.169 16.546 79 2HG LYS 9 HG1 LYS 9 7.943 -7.342 15.429 80 1HD LYS 9 HD2 LYS 9 7.501 -5.199 14.431 81 2HD LYS 9 HD1 LYS 9 5.944 -5.072 15.253 82 1HE LYS 9 HE2 LYS 9 7.728 -3.709 16.343 83 2HE LYS 9 HE1 LYS 9 7.068 -4.943 17.416 84 1HZ LYS 9 HZ1 LYS 9 9.388 -5.619 15.760 85 2HZ LYS 9 HZ2 LYS 9 8.948 -6.198 17.295 86 3HZ LYS 9 HZ3 LYS 9 9.633 -4.652 17.131 87 H THR 10 HN THR 10 7.095 -9.954 12.340 88 HA THR 10 HA THR 10 9.693 -10.298 13.403 89 HB THR 10 HB THR 10 9.757 -12.208 11.730 90 HG1 THR 10 HG1 THR 10 8.401 -11.947 10.161 91 1HG2 THR 10 HG21 THR 10 8.129 -13.515 12.963 92 2HG2 THR 10 HG22 THR 10 7.274 -12.057 13.463 93 3HG2 THR 10 HG23 THR 10 8.892 -12.386 14.081 94 H SER 11 HN SER 11 8.519 -8.460 10.808 95 HA SER 11 HA SER 11 11.220 -8.283 9.572 96 1HB SER 11 HB2 SER 11 8.492 -8.017 8.292 97 2HB SER 11 HB1 SER 11 10.004 -7.591 7.495 98 HG SER 11 HG SER 11 10.230 -10.013 8.607 99 HA PRO 12 HA PRO 12 10.081 -4.072 11.206 100 1HB PRO 12 HB2 PRO 12 12.751 -3.829 12.271 101 2HB PRO 12 HB1 PRO 12 11.245 -4.006 13.188 102 1HG PRO 12 HG2 PRO 12 13.268 -5.902 13.064 103 2HG PRO 12 HG1 PRO 12 11.595 -6.221 13.548 104 1HD PRO 12 HD2 PRO 12 12.937 -6.775 10.927 105 2HD PRO 12 HD1 PRO 12 11.652 -7.675 11.753 106 H LEU 13 HN LEU 13 10.182 -2.328 10.151 107 HA LEU 13 HA LEU 13 12.304 -2.042 8.105 108 1HB LEU 13 HB2 LEU 13 9.688 -0.536 8.227 109 2HB LEU 13 HB1 LEU 13 10.779 -0.710 6.853 110 HG LEU 13 HG LEU 13 9.149 -2.925 8.137 111 1HD1 LEU 13 HD11 LEU 13 9.003 -1.862 5.301 112 2HD1 LEU 13 HD12 LEU 13 7.965 -1.265 6.596 113 3HD1 LEU 13 HD13 LEU 13 7.878 -2.955 6.106 114 1HD2 LEU 13 HD21 LEU 13 10.052 -4.212 6.084 115 2HD2 LEU 13 HD22 LEU 13 11.168 -3.958 7.423 116 3HD2 LEU 13 HD23 LEU 13 11.275 -2.947 5.982 117 HA PRO 14 HA PRO 14 14.176 1.116 10.461 118 1HB PRO 14 HB2 PRO 14 14.334 3.150 8.384 119 2HB PRO 14 HB1 PRO 14 15.629 2.101 8.984 120 1HG PRO 14 HG2 PRO 14 14.041 1.852 6.543 121 2HG PRO 14 HG1 PRO 14 15.540 1.028 6.990 122 1HD PRO 14 HD2 PRO 14 13.045 -0.201 6.854 123 2HD PRO 14 HD1 PRO 14 14.423 -0.827 7.781 124 H ALA 15 HN ALA 15 13.781 2.919 11.595 125 HA ALA 15 HA ALA 15 11.164 3.560 12.256 126 1HB ALA 15 HB1 ALA 15 12.077 5.114 13.756 127 2HB ALA 15 HB2 ALA 15 13.473 5.426 12.722 128 3HB ALA 15 HB3 ALA 15 13.328 3.885 13.567 129 H GLY 16 HN GLY 16 10.991 3.960 9.535 130 1HA GLY 16 HA2 GLY 16 9.917 6.595 9.332 131 2HA GLY 16 HA1 GLY 16 11.459 6.525 8.524 132 H ALA 17 HN ALA 17 10.827 3.563 8.078 133 HA ALA 17 HA ALA 17 9.957 3.868 5.372 134 1HB ALA 17 HB1 ALA 17 10.750 1.587 7.130 135 2HB ALA 17 HB2 ALA 17 11.477 2.129 5.619 136 3HB ALA 17 HB3 ALA 17 9.953 1.241 5.593 137 H ILE 18 HN ILE 18 8.148 2.532 8.130 138 HA ILE 18 HA ILE 18 6.018 1.664 6.523 139 HB ILE 18 HB ILE 18 6.093 2.581 9.401 140 1HG1 ILE 18 HG12 ILE 18 7.229 0.385 8.450 141 2HG1 ILE 18 HG11 ILE 18 6.304 0.317 9.942 142 1HG2 ILE 18 HG21 ILE 18 3.832 1.333 9.497 143 2HG2 ILE 18 HG22 ILE 18 3.791 1.550 7.747 144 3HG2 ILE 18 HG23 ILE 18 3.834 2.958 8.808 145 1HD1 ILE 18 HD11 ILE 18 4.954 -0.219 7.302 146 2HD1 ILE 18 HD12 ILE 18 4.472 -0.737 8.916 147 3HD1 ILE 18 HD13 ILE 18 5.855 -1.491 8.124 148 H ASP 19 HN ASP 19 6.465 4.764 8.225 149 HA ASP 19 HA ASP 19 4.063 5.944 7.252 150 1HB ASP 19 HB2 ASP 19 6.655 7.207 8.198 151 2HB ASP 19 HB1 ASP 19 5.219 8.134 7.766 152 H ALA 20 HN ALA 20 7.319 5.773 5.887 153 HA ALA 20 HA ALA 20 6.720 7.506 3.743 154 1HB ALA 20 HB1 ALA 20 8.780 6.894 2.819 155 2HB ALA 20 HB2 ALA 20 8.694 5.254 3.467 156 3HB ALA 20 HB3 ALA 20 9.031 6.609 4.542 157 H LEU 21 HN LEU 21 6.400 4.015 4.159 158 HA LEU 21 HA LEU 21 5.682 3.342 1.555 159 1HB LEU 21 HB2 LEU 21 6.352 1.642 3.111 160 2HB LEU 21 HB1 LEU 21 5.091 2.101 4.247 161 HG LEU 21 HG LEU 21 3.384 1.367 2.634 162 1HD1 LEU 21 HD11 LEU 21 4.473 1.669 0.513 163 2HD1 LEU 21 HD12 LEU 21 4.218 -0.065 0.696 164 3HD1 LEU 21 HD13 LEU 21 5.812 0.627 0.989 165 1HD2 LEU 21 HD21 LEU 21 3.686 -0.987 2.968 166 2HD2 LEU 21 HD22 LEU 21 4.427 -0.177 4.349 167 3HD2 LEU 21 HD23 LEU 21 5.439 -0.807 3.049 168 H ALA 22 HN ALA 22 3.675 4.153 4.367 169 HA ALA 22 HA ALA 22 1.149 3.877 3.097 170 1HB ALA 22 HB1 ALA 22 0.300 5.253 4.944 171 2HB ALA 22 HB2 ALA 22 1.945 5.717 5.372 172 3HB ALA 22 HB3 ALA 22 1.424 4.044 5.563 173 H GLY 23 HN GLY 23 3.354 6.651 3.285 174 1HA GLY 23 HA2 GLY 23 1.540 8.461 1.990 175 2HA GLY 23 HA1 GLY 23 3.298 8.635 2.196 176 H GLU 24 HN GLU 24 4.175 6.370 0.731 177 HA GLU 24 HA GLU 24 3.865 7.354 -1.895 178 1HB GLU 24 HB2 GLU 24 5.868 6.052 -1.029 179 2HB GLU 24 HB1 GLU 24 4.880 4.595 -1.103 180 1HG GLU 24 HG2 GLU 24 6.130 4.695 -3.152 181 2HG GLU 24 HG1 GLU 24 4.465 5.120 -3.548 182 H LEU 25 HN LEU 25 2.353 4.659 -0.187 183 HA LEU 25 HA LEU 25 1.021 3.595 -2.442 184 1HB LEU 25 HB2 LEU 25 0.435 3.396 0.503 185 2HB LEU 25 HB1 LEU 25 -0.563 2.587 -0.700 186 HG LEU 25 HG LEU 25 2.438 2.225 -0.467 187 1HD1 LEU 25 HD11 LEU 25 1.314 1.394 1.553 188 2HD1 LEU 25 HD12 LEU 25 1.878 0.040 0.574 189 3HD1 LEU 25 HD13 LEU 25 0.173 0.489 0.562 190 1HD2 LEU 25 HD21 LEU 25 0.290 1.087 -2.240 191 2HD2 LEU 25 HD22 LEU 25 1.592 0.016 -1.738 192 3HD2 LEU 25 HD23 LEU 25 1.964 1.486 -2.621 193 H SER 26 HN SER 26 -0.044 6.039 -0.092 194 HA SER 26 HA SER 26 -2.714 6.206 -0.995 195 1HB SER 26 HB2 SER 26 -2.743 8.411 0.107 196 2HB SER 26 HB1 SER 26 -2.014 7.174 1.125 197 HG SER 26 HG SER 26 -0.808 9.275 -0.312 198 H ARG 27 HN ARG 27 0.172 8.088 -1.995 199 HA ARG 27 HA ARG 27 -1.208 9.787 -3.794 200 1HB ARG 27 HB2 ARG 27 1.648 8.772 -3.794 201 2HB ARG 27 HB1 ARG 27 1.043 9.987 -4.920 202 1HG ARG 27 HG2 ARG 27 0.404 11.435 -3.026 203 2HG ARG 27 HG1 ARG 27 1.010 10.225 -1.894 204 1HD ARG 27 HD2 ARG 27 3.263 10.432 -2.897 205 2HD ARG 27 HD1 ARG 27 2.654 11.668 -3.993 206 HE ARG 27 HE ARG 27 2.010 12.696 -1.577 207 1HH1 ARG 27 HH21 ARG 27 4.542 13.298 -3.388 208 2HH1 ARG 27 HH22 ARG 27 5.762 13.356 -2.160 209 1HH2 ARG 27 HH11 ARG 27 3.760 11.902 0.269 210 2HH2 ARG 27 HH12 ARG 27 5.320 12.566 -0.090 211 H ARG 28 HN ARG 28 0.197 6.549 -4.202 212 HA ARG 28 HA ARG 28 -0.248 6.347 -6.988 213 1HB ARG 28 HB2 ARG 28 0.018 4.255 -4.834 214 2HB ARG 28 HB1 ARG 28 -0.150 3.861 -6.548 215 1HG ARG 28 HG2 ARG 28 1.837 5.229 -7.058 216 2HG ARG 28 HG1 ARG 28 2.014 5.615 -5.346 217 1HD ARG 28 HD2 ARG 28 2.280 3.201 -4.846 218 2HD ARG 28 HD1 ARG 28 2.141 2.842 -6.566 219 HE ARG 28 HE ARG 28 4.461 3.895 -5.212 220 1HH1 ARG 28 HH21 ARG 28 2.961 3.002 -8.163 221 2HH1 ARG 28 HH22 ARG 28 4.246 3.584 -9.166 222 1HH2 ARG 28 HH11 ARG 28 6.032 4.965 -6.538 223 2HH2 ARG 28 HH12 ARG 28 5.984 4.696 -8.247 224 H ILE 29 HN ILE 29 -2.265 5.556 -4.200 225 HA ILE 29 HA ILE 29 -4.343 4.272 -5.635 226 HB ILE 29 HB ILE 29 -4.345 5.674 -2.961 227 1HG1 ILE 29 HG12 ILE 29 -2.963 3.480 -3.494 228 2HG1 ILE 29 HG11 ILE 29 -3.905 3.578 -2.013 229 1HG2 ILE 29 HG21 ILE 29 -6.509 4.178 -4.436 230 2HG2 ILE 29 HG22 ILE 29 -6.622 5.693 -3.539 231 3HG2 ILE 29 HG23 ILE 29 -6.458 4.166 -2.673 232 1HD1 ILE 29 HD11 ILE 29 -4.155 1.419 -3.356 233 2HD1 ILE 29 HD12 ILE 29 -5.021 2.370 -4.559 234 3HD1 ILE 29 HD13 ILE 29 -5.657 2.231 -2.924 235 H GLN 30 HN GLN 30 -3.900 7.613 -4.583 236 HA GLN 30 HA GLN 30 -6.402 8.602 -5.536 237 1HB GLN 30 HB2 GLN 30 -4.865 9.818 -3.934 238 2HB GLN 30 HB1 GLN 30 -3.796 10.131 -5.298 239 1HG GLN 30 HG2 GLN 30 -5.497 11.421 -6.433 240 2HG GLN 30 HG1 GLN 30 -6.713 10.971 -5.237 241 1HE2 GLN 30 HE21 GLN 30 -5.646 13.718 -5.946 242 2HE2 GLN 30 HE22 GLN 30 -5.083 14.353 -4.476 243 H TYR 31 HN TYR 31 -3.241 8.308 -7.203 244 HA TYR 31 HA TYR 31 -4.171 9.683 -9.499 245 1HB TYR 31 HB2 TYR 31 -1.759 9.348 -9.080 246 2HB TYR 31 HB1 TYR 31 -1.968 7.607 -9.284 247 HD1 TYR 31 HD1 TYR 31 -2.468 6.641 -11.489 248 HD2 TYR 31 HD2 TYR 31 -1.884 10.866 -10.981 249 HE1 TYR 31 HE1 TYR 31 -2.244 6.906 -13.947 250 HE2 TYR 31 HE2 TYR 31 -1.659 11.131 -13.434 251 HH TYR 31 HH TYR 31 -2.583 9.661 -15.532 252 H ALA 32 HN ALA 32 -4.199 6.265 -8.573 253 HA ALA 32 HA ALA 32 -5.164 5.340 -11.085 254 1HB ALA 32 HB1 ALA 32 -5.079 4.133 -8.328 255 2HB ALA 32 HB2 ALA 32 -4.101 3.728 -9.738 256 3HB ALA 32 HB3 ALA 32 -5.807 3.282 -9.693 257 H PHE 33 HN PHE 33 -6.704 6.359 -8.080 258 HA PHE 33 HA PHE 33 -9.388 6.050 -9.323 259 1HB PHE 33 HB2 PHE 33 -8.571 5.897 -6.418 260 2HB PHE 33 HB1 PHE 33 -10.224 5.817 -7.021 261 HD1 PHE 33 HD1 PHE 33 -6.998 4.058 -6.807 262 HD2 PHE 33 HD2 PHE 33 -11.030 3.875 -8.271 263 HE1 PHE 33 HE1 PHE 33 -6.732 1.630 -7.235 264 HE2 PHE 33 HE2 PHE 33 -10.766 1.449 -8.700 265 HZ PHE 33 HZ PHE 33 -8.617 0.325 -8.181 266 HA PRO 34 HA PRO 34 -8.765 10.570 -8.559 267 1HB PRO 34 HB2 PRO 34 -10.313 11.086 -10.956 268 2HB PRO 34 HB1 PRO 34 -8.601 11.410 -10.652 269 1HG PRO 34 HG2 PRO 34 -9.582 9.491 -12.397 270 2HG PRO 34 HG1 PRO 34 -7.944 9.524 -11.725 271 1HD PRO 34 HD2 PRO 34 -10.260 7.810 -10.945 272 2HD PRO 34 HD1 PRO 34 -8.516 7.476 -10.862 273 H ASP 35 HN ASP 35 -11.606 8.727 -9.383 274 HA ASP 35 HA ASP 35 -13.491 10.752 -8.473 275 1HB ASP 35 HB2 ASP 35 -13.913 7.981 -9.582 276 2HB ASP 35 HB1 ASP 35 -15.191 9.140 -9.218 277 H ASN 36 HN ASN 36 -11.836 8.164 -6.871 278 HA ASN 36 HA ASN 36 -14.057 8.012 -4.892 279 1HB ASN 36 HB2 ASN 36 -13.775 5.931 -6.099 280 2HB ASN 36 HB1 ASN 36 -12.074 5.886 -5.651 281 1HD2 ASN 36 HD21 ASN 36 -15.365 5.805 -4.253 282 2HD2 ASN 36 HD22 ASN 36 -14.903 5.007 -2.826 283 H GLU 37 HN GLU 37 -13.458 8.647 -2.735 284 HA GLU 37 HA GLU 37 -10.926 9.585 -2.050 285 1HB GLU 37 HB2 GLU 37 -13.019 10.141 -0.945 286 2HB GLU 37 HB1 GLU 37 -13.216 8.474 -0.428 287 1HG GLU 37 HG2 GLU 37 -11.156 8.654 0.941 288 2HG GLU 37 HG1 GLU 37 -10.957 10.332 0.431 289 H GLY 38 HN GLY 38 -9.113 8.349 -1.665 290 1HA GLY 38 HA2 GLY 38 -9.426 5.463 -0.936 291 2HA GLY 38 HA1 GLY 38 -8.084 6.003 -1.695 292 H HIS 39 HN HIS 39 -8.895 4.985 1.311 293 HA HIS 39 HA HIS 39 -7.012 6.854 2.605 294 1HB HIS 39 HB2 HIS 39 -9.251 6.912 3.605 295 2HB HIS 39 HB1 HIS 39 -9.212 5.163 3.830 296 HD1 HIS 39 HD1 HIS 39 -6.874 8.064 4.733 297 HD2 HIS 39 HD2 HIS 39 -8.417 4.560 6.386 298 HE1 HIS 39 HE1 HIS 39 -5.909 7.890 7.068 299 H VAL 40 HN VAL 40 -5.064 5.870 3.119 300 HA VAL 40 HA VAL 40 -4.951 2.927 3.157 301 HB VAL 40 HB VAL 40 -2.834 4.961 2.457 302 1HG1 VAL 40 HG11 VAL 40 -1.627 2.855 1.705 303 2HG1 VAL 40 HG12 VAL 40 -2.837 1.937 2.600 304 3HG1 VAL 40 HG13 VAL 40 -1.768 3.053 3.451 305 1HG2 VAL 40 HG21 VAL 40 -3.171 4.261 0.196 306 2HG2 VAL 40 HG22 VAL 40 -4.794 4.531 0.834 307 3HG2 VAL 40 HG23 VAL 40 -4.160 2.891 0.687 308 H SER 41 HN SER 41 -4.294 1.950 4.945 309 HA SER 41 HA SER 41 -2.826 3.499 7.006 310 1HB SER 41 HB2 SER 41 -5.096 1.546 7.456 311 2HB SER 41 HB1 SER 41 -4.023 2.099 8.739 312 HG SER 41 HG SER 41 -5.658 3.530 8.772 313 H VAL 42 HN VAL 42 -1.171 2.480 8.046 314 HA VAL 42 HA VAL 42 -0.622 -0.329 7.305 315 HB VAL 42 HB VAL 42 1.506 1.819 7.419 316 1HG1 VAL 42 HG11 VAL 42 2.770 0.013 6.137 317 2HG1 VAL 42 HG12 VAL 42 1.451 -1.079 6.552 318 3HG1 VAL 42 HG13 VAL 42 2.425 -0.350 7.827 319 1HG2 VAL 42 HG21 VAL 42 1.534 1.784 4.980 320 2HG2 VAL 42 HG22 VAL 42 -0.085 2.214 5.534 321 3HG2 VAL 42 HG23 VAL 42 0.246 0.585 4.956 322 H ARG 43 HN ARG 43 -0.145 -1.614 8.958 323 HA ARG 43 HA ARG 43 1.054 -0.464 11.366 324 1HB ARG 43 HB2 ARG 43 -1.493 -2.096 11.540 325 2HB ARG 43 HB1 ARG 43 -0.642 -1.308 12.867 326 1HG ARG 43 HG2 ARG 43 -1.054 0.895 11.723 327 2HG ARG 43 HG1 ARG 43 -2.064 0.030 10.560 328 1HD ARG 43 HD2 ARG 43 -3.413 -0.842 12.501 329 2HD ARG 43 HD1 ARG 43 -2.498 0.239 13.548 330 HE ARG 43 HE ARG 43 -3.573 1.728 11.397 331 1HH1 ARG 43 HH11 ARG 43 -5.773 -0.245 12.478 332 2HH1 ARG 43 HH12 ARG 43 -6.625 0.820 13.545 333 1HH2 ARG 43 HH21 ARG 43 -4.130 3.230 13.554 334 2HH2 ARG 43 HH22 ARG 43 -5.694 2.791 14.155 335 H TYR 44 HN TYR 44 1.778 -2.136 12.910 336 HA TYR 44 HA TYR 44 2.726 -4.533 11.509 337 1HB TYR 44 HB2 TYR 44 3.203 -3.477 14.314 338 2HB TYR 44 HB1 TYR 44 3.887 -4.977 13.696 339 HD1 TYR 44 HD1 TYR 44 5.188 -4.785 11.412 340 HD2 TYR 44 HD2 TYR 44 4.413 -1.488 14.053 341 HE1 TYR 44 HE1 TYR 44 7.070 -3.531 10.397 342 HE2 TYR 44 HE2 TYR 44 6.287 -0.231 13.037 343 HH TYR 44 HH TYR 44 7.651 -0.159 11.168 344 H ALA 45 HN ALA 45 2.107 -6.579 11.858 345 HA ALA 45 HA ALA 45 0.097 -7.147 13.920 346 1HB ALA 45 HB1 ALA 45 -1.011 -6.548 11.681 347 2HB ALA 45 HB2 ALA 45 -1.448 -8.102 12.390 348 3HB ALA 45 HB3 ALA 45 -0.294 -8.034 11.058 349 H ALA 46 HN ALA 46 -0.238 -9.590 14.059 350 HA ALA 46 HA ALA 46 2.275 -10.837 14.301 351 1HB ALA 46 HB1 ALA 46 1.108 -12.822 14.915 352 2HB ALA 46 HB2 ALA 46 -0.319 -12.360 13.987 353 3HB ALA 46 HB3 ALA 46 0.082 -11.501 15.474 354 H ALA 47 HN ALA 47 0.108 -10.577 11.549 355 HA ALA 47 HA ALA 47 2.123 -12.051 9.981 356 1HB ALA 47 HB1 ALA 47 0.283 -13.196 8.742 357 2HB ALA 47 HB2 ALA 47 -0.853 -12.575 9.941 358 3HB ALA 47 HB3 ALA 47 0.421 -13.694 10.428 359 H ASN 48 HN ASN 48 2.183 -11.582 7.744 360 HA ASN 48 HA ASN 48 1.494 -8.866 7.012 361 1HB ASN 48 HB2 ASN 48 3.523 -10.003 6.170 362 2HB ASN 48 HB1 ASN 48 2.505 -11.166 5.320 363 1HD2 ASN 48 HD21 ASN 48 3.273 -7.669 5.486 364 2HD2 ASN 48 HD22 ASN 48 2.807 -7.334 3.889 365 H ASN 49 HN ASN 49 -0.407 -8.207 6.057 366 HA ASN 49 HA ASN 49 -1.992 -10.063 4.445 367 1HB ASN 49 HB2 ASN 49 -3.104 -8.808 6.958 368 2HB ASN 49 HB1 ASN 49 -4.054 -9.631 5.729 369 1HD2 ASN 49 HD21 ASN 49 -2.621 -11.885 5.132 370 2HD2 ASN 49 HD22 ASN 49 -2.374 -12.833 6.519 371 H LEU 50 HN LEU 50 -3.508 -9.016 3.083 372 HA LEU 50 HA LEU 50 -3.433 -6.051 3.041 373 1HB LEU 50 HB2 LEU 50 -2.046 -7.000 1.200 374 2HB LEU 50 HB1 LEU 50 -3.427 -7.956 0.671 375 HG LEU 50 HG LEU 50 -4.712 -5.850 0.286 376 1HD1 LEU 50 HD11 LEU 50 -3.859 -4.223 1.687 377 2HD1 LEU 50 HD12 LEU 50 -3.154 -3.748 0.144 378 3HD1 LEU 50 HD13 LEU 50 -2.180 -4.626 1.324 379 1HD2 LEU 50 HD21 LEU 50 -2.044 -6.140 -1.129 380 2HD2 LEU 50 HD22 LEU 50 -3.311 -5.043 -1.675 381 3HD2 LEU 50 HD23 LEU 50 -3.606 -6.780 -1.642 382 H SER 51 HN SER 51 -5.519 -5.271 3.315 383 HA SER 51 HA SER 51 -7.774 -7.009 2.450 384 1HB SER 51 HB2 SER 51 -7.592 -6.856 4.909 385 2HB SER 51 HB1 SER 51 -7.682 -5.100 4.796 386 HG SER 51 HG SER 51 -9.733 -6.064 5.185 387 H VAL 52 HN VAL 52 -9.148 -6.048 1.015 388 HA VAL 52 HA VAL 52 -9.105 -3.107 0.768 389 HB VAL 52 HB VAL 52 -9.369 -5.143 -1.460 390 1HG1 VAL 52 HG11 VAL 52 -10.823 -3.303 -1.967 391 2HG1 VAL 52 HG12 VAL 52 -9.337 -3.015 -2.874 392 3HG1 VAL 52 HG13 VAL 52 -9.645 -2.127 -1.384 393 1HG2 VAL 52 HG21 VAL 52 -7.256 -3.058 -0.817 394 2HG2 VAL 52 HG22 VAL 52 -7.278 -4.063 -2.267 395 3HG2 VAL 52 HG23 VAL 52 -7.055 -4.805 -0.682 396 H ILE 53 HN ILE 53 -11.078 -2.210 1.126 397 HA ILE 53 HA ILE 53 -13.483 -3.943 0.872 398 HB ILE 53 HB ILE 53 -12.986 -1.671 2.816 399 1HG1 ILE 53 HG12 ILE 53 -13.299 -4.633 3.402 400 2HG1 ILE 53 HG11 ILE 53 -11.727 -3.843 3.245 401 1HG2 ILE 53 HG21 ILE 53 -15.332 -1.812 2.218 402 2HG2 ILE 53 HG22 ILE 53 -15.130 -2.522 3.818 403 3HG2 ILE 53 HG23 ILE 53 -15.318 -3.565 2.409 404 1HD1 ILE 53 HD11 ILE 53 -12.507 -3.986 5.613 405 2HD1 ILE 53 HD12 ILE 53 -13.894 -2.985 5.183 406 3HD1 ILE 53 HD13 ILE 53 -12.261 -2.325 5.072 407 H GLY 54 HN GLY 54 -15.041 -3.249 -0.473 408 1HA GLY 54 HA2 GLY 54 -16.482 -1.640 -1.446 409 2HA GLY 54 HA1 GLY 54 -15.327 -0.384 -1.010 410 H ALA 55 HN ALA 55 -13.934 -3.133 -2.577 411 HA ALA 55 HA ALA 55 -13.864 -1.616 -5.135 412 1HB ALA 55 HB1 ALA 55 -11.622 -3.377 -4.163 413 2HB ALA 55 HB2 ALA 55 -11.710 -1.666 -3.743 414 3HB ALA 55 HB3 ALA 55 -11.588 -2.155 -5.433 415 H THR 56 HN THR 56 -13.379 -2.849 -7.031 416 HA THR 56 HA THR 56 -14.865 -5.394 -7.266 417 HB THR 56 HB THR 56 -14.686 -4.954 -9.606 418 HG1 THR 56 HG1 THR 56 -13.513 -2.941 -10.177 419 1HG2 THR 56 HG21 THR 56 -15.201 -2.319 -8.191 420 2HG2 THR 56 HG22 THR 56 -16.378 -3.625 -8.347 421 3HG2 THR 56 HG23 THR 56 -15.797 -2.783 -9.784 422 H LYS 57 HN LYS 57 -13.958 -7.173 -8.294 423 HA LYS 57 HA LYS 57 -11.484 -7.978 -7.323 424 1HB LYS 57 HB2 LYS 57 -12.980 -9.012 -9.744 425 2HB LYS 57 HB1 LYS 57 -11.664 -9.857 -8.940 426 1HG LYS 57 HG2 LYS 57 -13.022 -9.949 -6.844 427 2HG LYS 57 HG1 LYS 57 -14.340 -9.137 -7.685 428 1HD LYS 57 HD2 LYS 57 -13.133 -11.707 -8.717 429 2HD LYS 57 HD1 LYS 57 -14.427 -11.713 -7.525 430 1HE LYS 57 HE2 LYS 57 -14.523 -10.614 -10.345 431 2HE LYS 57 HE1 LYS 57 -15.473 -11.931 -9.670 432 1HZ LYS 57 HZ1 LYS 57 -16.978 -10.284 -9.444 433 2HZ LYS 57 HZ2 LYS 57 -15.807 -9.055 -9.363 434 3HZ LYS 57 HZ3 LYS 57 -16.138 -10.008 -7.995 435 H GLU 58 HN GLU 58 -12.228 -6.544 -10.556 436 HA GLU 58 HA GLU 58 -9.600 -6.944 -11.589 437 1HB GLU 58 HB2 GLU 58 -11.569 -6.448 -13.015 438 2HB GLU 58 HB1 GLU 58 -11.648 -4.833 -12.308 439 1HG GLU 58 HG2 GLU 58 -9.412 -4.314 -13.145 440 2HG GLU 58 HG1 GLU 58 -9.233 -5.954 -13.763 441 H ASP 59 HN ASP 59 -11.141 -4.396 -9.691 442 HA ASP 59 HA ASP 59 -9.041 -2.515 -9.882 443 1HB ASP 59 HB2 ASP 59 -11.181 -2.957 -7.790 444 2HB ASP 59 HB1 ASP 59 -10.048 -1.609 -7.742 445 H LYS 60 HN LYS 60 -9.840 -5.089 -7.617 446 HA LYS 60 HA LYS 60 -7.680 -4.696 -5.826 447 1HB LYS 60 HB2 LYS 60 -9.327 -7.155 -6.490 448 2HB LYS 60 HB1 LYS 60 -8.125 -7.115 -5.202 449 1HG LYS 60 HG2 LYS 60 -9.336 -5.257 -4.123 450 2HG LYS 60 HG1 LYS 60 -10.545 -5.296 -5.405 451 1HD LYS 60 HD2 LYS 60 -11.010 -7.693 -4.808 452 2HD LYS 60 HD1 LYS 60 -9.925 -7.509 -3.429 453 1HE LYS 60 HE2 LYS 60 -11.354 -5.582 -2.657 454 2HE LYS 60 HE1 LYS 60 -12.490 -5.980 -3.947 455 1HZ LYS 60 HZ1 LYS 60 -12.866 -6.977 -1.630 456 2HZ LYS 60 HZ2 LYS 60 -11.607 -8.044 -2.035 457 3HZ LYS 60 HZ3 LYS 60 -13.019 -7.994 -2.978 458 H GLN 61 HN GLN 61 -7.831 -6.630 -8.834 459 HA GLN 61 HA GLN 61 -5.248 -7.784 -8.428 460 1HB GLN 61 HB2 GLN 61 -6.866 -7.253 -10.935 461 2HB GLN 61 HB1 GLN 61 -5.320 -8.104 -10.937 462 1HG GLN 61 HG2 GLN 61 -6.232 -9.789 -9.395 463 2HG GLN 61 HG1 GLN 61 -7.776 -8.938 -9.365 464 1HE2 GLN 61 HE21 GLN 61 -7.454 -11.678 -10.308 465 2HE2 GLN 61 HE22 GLN 61 -7.853 -11.689 -11.958 466 H ARG 62 HN ARG 62 -6.391 -4.799 -10.053 467 HA ARG 62 HA ARG 62 -3.879 -4.030 -11.032 468 1HB ARG 62 HB2 ARG 62 -6.020 -2.959 -11.738 469 2HB ARG 62 HB1 ARG 62 -6.159 -2.230 -10.143 470 1HG ARG 62 HG2 ARG 62 -5.215 -0.522 -11.481 471 2HG ARG 62 HG1 ARG 62 -3.838 -1.183 -10.612 472 1HD ARG 62 HD2 ARG 62 -3.396 -0.830 -13.047 473 2HD ARG 62 HD1 ARG 62 -3.186 -2.503 -12.556 474 HE ARG 62 HE ARG 62 -5.023 -3.071 -13.876 475 1HH1 ARG 62 HH11 ARG 62 -4.067 -0.332 -15.191 476 2HH1 ARG 62 HH12 ARG 62 -5.615 0.349 -15.565 477 1HH2 ARG 62 HH21 ARG 62 -7.370 -1.892 -13.583 478 2HH2 ARG 62 HH22 ARG 62 -7.487 -0.536 -14.655 479 H ILE 63 HN ILE 63 -5.485 -3.310 -7.970 480 HA ILE 63 HA ILE 63 -3.432 -1.676 -6.961 481 HB ILE 63 HB ILE 63 -5.443 -3.372 -5.505 482 1HG1 ILE 63 HG12 ILE 63 -5.313 -0.364 -5.802 483 2HG1 ILE 63 HG11 ILE 63 -6.214 -1.388 -6.917 484 1HG2 ILE 63 HG21 ILE 63 -3.378 -1.431 -4.476 485 2HG2 ILE 63 HG22 ILE 63 -3.682 -3.083 -3.938 486 3HG2 ILE 63 HG23 ILE 63 -4.838 -1.806 -3.559 487 1HD1 ILE 63 HD11 ILE 63 -7.825 -1.927 -5.343 488 2HD1 ILE 63 HD12 ILE 63 -7.384 -0.318 -4.773 489 3HD1 ILE 63 HD13 ILE 63 -6.717 -1.744 -3.980 490 H SER 64 HN SER 64 -3.839 -5.177 -6.767 491 HA SER 64 HA SER 64 -1.579 -5.645 -5.117 492 1HB SER 64 HB2 SER 64 -1.643 -7.918 -5.928 493 2HB SER 64 HB1 SER 64 -3.314 -7.376 -5.802 494 HG SER 64 HG SER 64 -3.344 -7.031 -8.003 495 H GLU 65 HN GLU 65 -1.936 -5.338 -8.707 496 HA GLU 65 HA GLU 65 0.728 -5.810 -9.322 497 1HB GLU 65 HB2 GLU 65 -1.230 -5.727 -10.927 498 2HB GLU 65 HB1 GLU 65 -1.195 -3.967 -10.768 499 1HG GLU 65 HG2 GLU 65 1.129 -3.947 -11.498 500 2HG GLU 65 HG1 GLU 65 1.091 -5.698 -11.658 501 H ILE 66 HN ILE 66 -0.995 -2.806 -8.514 502 HA ILE 66 HA ILE 66 1.164 -1.055 -8.936 503 HB ILE 66 HB ILE 66 -1.207 -0.861 -7.067 504 1HG1 ILE 66 HG12 ILE 66 -0.538 0.550 -9.673 505 2HG1 ILE 66 HG11 ILE 66 -1.572 -0.873 -9.560 506 1HG2 ILE 66 HG21 ILE 66 0.491 0.569 -6.113 507 2HG2 ILE 66 HG22 ILE 66 -0.589 1.612 -7.030 508 3HG2 ILE 66 HG23 ILE 66 0.972 1.153 -7.706 509 1HD1 ILE 66 HD11 ILE 66 -2.956 1.145 -9.603 510 2HD1 ILE 66 HD12 ILE 66 -2.066 1.808 -8.233 511 3HD1 ILE 66 HD13 ILE 66 -3.076 0.379 -8.019 512 H LEU 67 HN LEU 67 0.150 -2.788 -6.019 513 HA LEU 67 HA LEU 67 2.129 -1.753 -4.302 514 1HB LEU 67 HB2 LEU 67 0.307 -2.954 -3.293 515 2HB LEU 67 HB1 LEU 67 0.593 -4.365 -4.302 516 HG LEU 67 HG LEU 67 2.776 -4.739 -3.140 517 1HD1 LEU 67 HD11 LEU 67 2.949 -3.445 -0.881 518 2HD1 LEU 67 HD12 LEU 67 1.891 -2.268 -1.647 519 3HD1 LEU 67 HD13 LEU 67 3.471 -2.624 -2.347 520 1HD2 LEU 67 HD21 LEU 67 0.573 -5.741 -2.370 521 2HD2 LEU 67 HD22 LEU 67 0.500 -4.461 -1.157 522 3HD2 LEU 67 HD23 LEU 67 1.818 -5.633 -1.125 523 H GLN 68 HN GLN 68 2.135 -4.535 -6.473 524 HA GLN 68 HA GLN 68 4.711 -5.478 -5.723 525 1HB GLN 68 HB2 GLN 68 3.170 -5.709 -8.322 526 2HB GLN 68 HB1 GLN 68 4.708 -6.516 -8.018 527 1HG GLN 68 HG2 GLN 68 2.291 -6.838 -6.227 528 2HG GLN 68 HG1 GLN 68 2.652 -7.929 -7.563 529 1HE2 GLN 68 HE21 GLN 68 5.224 -8.582 -7.446 530 2HE2 GLN 68 HE22 GLN 68 5.703 -9.128 -5.912 531 H GLU 69 HN GLU 69 3.753 -3.289 -8.428 532 HA GLU 69 HA GLU 69 6.356 -2.853 -9.323 533 1HB GLU 69 HB2 GLU 69 3.875 -1.144 -9.488 534 2HB GLU 69 HB1 GLU 69 5.385 -0.725 -10.301 535 1HG GLU 69 HG2 GLU 69 3.990 -3.392 -10.651 536 2HG GLU 69 HG1 GLU 69 3.739 -2.020 -11.729 537 H THR 70 HN THR 70 4.521 -0.925 -6.924 538 HA THR 70 HA THR 70 6.457 1.084 -6.571 539 HB THR 70 HB THR 70 4.568 -0.033 -4.527 540 HG1 THR 70 HG1 THR 70 4.305 1.686 -6.685 541 1HG2 THR 70 HG21 THR 70 6.160 2.519 -4.704 542 2HG2 THR 70 HG22 THR 70 6.182 1.320 -3.412 543 3HG2 THR 70 HG23 THR 70 4.766 2.346 -3.638 544 H TRP 71 HN TRP 71 5.875 -1.902 -4.877 545 HA TRP 71 HA TRP 71 7.931 -1.827 -3.040 546 1HB TRP 71 HB2 TRP 71 6.070 -3.319 -2.859 547 2HB TRP 71 HB1 TRP 71 6.479 -4.084 -4.383 548 HD1 TRP 71 HD1 TRP 71 7.387 -6.391 -3.946 549 HE1 TRP 71 HE1 TRP 71 8.959 -7.491 -2.230 550 HE3 TRP 71 HE3 TRP 71 8.304 -2.395 -0.869 551 HZ2 TRP 71 HZ2 TRP 71 10.392 -6.788 0.136 552 HZ3 TRP 71 HZ3 TRP 71 9.759 -2.656 1.111 553 HH2 TRP 71 HH2 TRP 71 10.802 -4.843 1.619 554 H GLU 72 HN GLU 72 7.913 -2.949 -6.360 555 HA GLU 72 HA GLU 72 10.614 -3.894 -6.279 556 1HB GLU 72 HB2 GLU 72 8.691 -3.449 -8.566 557 2HB GLU 72 HB1 GLU 72 10.338 -4.036 -8.809 558 1HG GLU 72 HG2 GLU 72 9.899 -5.929 -7.298 559 2HG GLU 72 HG1 GLU 72 8.262 -5.346 -7.024 560 H SER 73 HN SER 73 9.277 -0.721 -6.721 561 HA SER 73 HA SER 73 11.826 0.186 -7.944 562 1HB SER 73 HB2 SER 73 10.634 2.229 -8.555 563 2HB SER 73 HB1 SER 73 9.740 0.826 -9.135 564 HG SER 73 HG SER 73 9.156 1.715 -6.569 565 H ALA 74 HN ALA 74 11.209 -0.480 -5.034 566 HA ALA 74 HA ALA 74 10.985 1.640 -3.397 567 1HB ALA 74 HB1 ALA 74 12.915 -0.595 -2.885 568 2HB ALA 74 HB2 ALA 74 11.165 -0.824 -2.875 569 3HB ALA 74 HB3 ALA 74 11.917 0.283 -1.725 570 H ASP 75 HN ASP 75 14.017 0.726 -5.006 571 HA ASP 75 HA ASP 75 15.701 2.364 -3.413 572 1HB ASP 75 HB2 ASP 75 17.337 2.094 -5.223 573 2HB ASP 75 HB1 ASP 75 16.581 0.559 -4.798 574 H ASP 76 HN ASP 76 13.490 3.198 -5.959 575 HA ASP 76 HA ASP 76 14.861 5.740 -6.549 576 1HB ASP 76 HB2 ASP 76 12.440 4.362 -7.707 577 2HB ASP 76 HB1 ASP 76 12.955 5.980 -8.184 578 H TRP 77 HN TRP 77 11.672 4.716 -5.238 579 HA TRP 77 HA TRP 77 11.050 7.532 -4.692 580 1HB TRP 77 HB2 TRP 77 8.859 6.870 -4.242 581 2HB TRP 77 HB1 TRP 77 9.377 5.894 -5.600 582 HD1 TRP 77 HD1 TRP 77 9.420 3.279 -5.286 583 HE1 TRP 77 HE1 TRP 77 8.785 1.712 -3.364 584 HE3 TRP 77 HE3 TRP 77 8.896 6.668 -1.382 585 HZ2 TRP 77 HZ2 TRP 77 8.157 1.821 -0.606 586 HZ3 TRP 77 HZ3 TRP 77 8.279 5.846 0.834 587 HH2 TRP 77 HH2 TRP 77 7.915 3.448 1.230 588 H PHE 78 HN PHE 78 12.338 4.880 -2.842 589 HA PHE 78 HA PHE 78 11.486 6.135 -0.314 590 1HB PHE 78 HB2 PHE 78 11.463 3.703 -0.348 591 2HB PHE 78 HB1 PHE 78 13.160 3.672 -0.814 592 HD1 PHE 78 HD1 PHE 78 11.027 5.347 1.815 593 HD2 PHE 78 HD2 PHE 78 14.713 3.285 0.932 594 HE1 PHE 78 HE1 PHE 78 11.704 5.514 4.189 595 HE2 PHE 78 HE2 PHE 78 15.369 3.462 3.309 596 HZ PHE 78 HZ PHE 78 13.870 4.572 4.937 597 H VAL 79 HN VAL 79 12.617 7.531 0.758 598 HA VAL 79 HA VAL 79 15.484 7.895 0.137 599 HB VAL 79 HB VAL 79 14.924 10.324 0.902 600 1HG1 VAL 79 HG11 VAL 79 14.311 10.945 -1.378 601 2HG1 VAL 79 HG12 VAL 79 13.764 9.301 -1.710 602 3HG1 VAL 79 HG13 VAL 79 15.478 9.625 -1.439 603 1HG2 VAL 79 HG21 VAL 79 12.158 9.441 0.014 604 2HG2 VAL 79 HG22 VAL 79 12.635 11.019 0.644 605 3HG2 VAL 79 HG23 VAL 79 12.613 9.619 1.712 606 H SER 80 HN SER 80 16.864 8.041 2.023 607 HA SER 80 HA SER 80 15.479 7.926 4.650 608 1HB SER 80 HB2 SER 80 17.278 6.389 5.377 609 2HB SER 80 HB1 SER 80 16.375 5.700 4.025 610 HG SER 80 HG SER 80 18.029 6.404 2.649 611 H GLU 81 HN GLU 81 16.294 9.141 6.232 612 HA GLU 81 HA GLU 81 17.817 11.417 5.665 613 1HB GLU 81 HB2 GLU 81 16.308 11.234 7.597 614 2HB GLU 81 HB1 GLU 81 17.381 10.041 8.327 615 1HG GLU 81 HG2 GLU 81 19.184 11.690 8.460 616 2HG GLU 81 HG1 GLU 81 18.179 12.884 7.637 Start of MODEL 15 1 1H MET 1 HT1 MET 1 -13.774 4.264 -1.688 2 2H MET 1 HT2 MET 1 -13.436 4.582 -0.053 3 3H MET 1 HT3 MET 1 -14.827 3.705 -0.481 4 HA MET 1 HA MET 1 -13.730 1.808 -0.399 5 1HB MET 1 HB2 MET 1 -13.142 2.240 -2.746 6 2HB MET 1 HB1 MET 1 -11.732 3.168 -2.234 7 1HG MET 1 HG2 MET 1 -10.746 1.191 -1.208 8 2HG MET 1 HG1 MET 1 -12.197 0.251 -1.549 9 1HE MET 1 HE1 MET 1 -8.911 1.714 -4.297 10 2HE MET 1 HE2 MET 1 -9.440 2.361 -2.745 11 3HE MET 1 HE3 MET 1 -10.270 2.842 -4.222 12 H ARG 2 HN ARG 2 -12.262 0.852 1.028 13 HA ARG 2 HA ARG 2 -10.237 2.644 2.252 14 1HB ARG 2 HB2 ARG 2 -12.078 0.658 3.606 15 2HB ARG 2 HB1 ARG 2 -10.658 1.350 4.392 16 1HG ARG 2 HG2 ARG 2 -11.557 3.623 4.003 17 2HG ARG 2 HG1 ARG 2 -12.984 2.922 3.238 18 1HD ARG 2 HD2 ARG 2 -13.508 1.727 5.348 19 2HD ARG 2 HD1 ARG 2 -12.109 2.478 6.108 20 HE ARG 2 HE ARG 2 -13.881 4.428 4.971 21 1HH1 ARG 2 HH11 ARG 2 -12.354 4.348 7.696 22 2HH1 ARG 2 HH12 ARG 2 -13.690 4.423 8.798 23 1HH2 ARG 2 HH21 ARG 2 -16.062 3.652 6.390 24 2HH2 ARG 2 HH22 ARG 2 -15.788 4.029 8.058 25 H ILE 3 HN ILE 3 -8.236 1.863 2.345 26 HA ILE 3 HA ILE 3 -7.764 -0.994 1.636 27 HB ILE 3 HB ILE 3 -6.053 1.425 1.049 28 1HG1 ILE 3 HG12 ILE 3 -7.527 -0.413 -0.857 29 2HG1 ILE 3 HG11 ILE 3 -8.211 1.108 -0.281 30 1HG2 ILE 3 HG21 ILE 3 -4.807 -0.295 -0.341 31 2HG2 ILE 3 HG22 ILE 3 -5.738 -1.538 0.495 32 3HG2 ILE 3 HG23 ILE 3 -4.642 -0.496 1.403 33 1HD1 ILE 3 HD11 ILE 3 -5.473 0.987 -1.545 34 2HD1 ILE 3 HD12 ILE 3 -6.514 2.393 -1.322 35 3HD1 ILE 3 HD13 ILE 3 -6.931 1.169 -2.520 36 H GLU 4 HN GLU 4 -6.784 -2.130 3.233 37 HA GLU 4 HA GLU 4 -5.089 -0.676 5.210 38 1HB GLU 4 HB2 GLU 4 -6.907 -3.036 5.758 39 2HB GLU 4 HB1 GLU 4 -5.799 -2.307 6.919 40 1HG GLU 4 HG2 GLU 4 -6.985 -0.156 6.703 41 2HG GLU 4 HG1 GLU 4 -8.097 -0.884 5.544 42 H VAL 5 HN VAL 5 -3.096 -1.354 5.443 43 HA VAL 5 HA VAL 5 -2.343 -4.025 4.360 44 HB VAL 5 HB VAL 5 -0.526 -1.624 4.510 45 1HG1 VAL 5 HG11 VAL 5 0.649 -2.920 2.693 46 2HG1 VAL 5 HG12 VAL 5 -0.474 -4.245 2.989 47 3HG1 VAL 5 HG13 VAL 5 0.632 -3.726 4.261 48 1HG2 VAL 5 HG21 VAL 5 -1.046 -1.565 1.945 49 2HG2 VAL 5 HG22 VAL 5 -2.183 -0.809 3.057 50 3HG2 VAL 5 HG23 VAL 5 -2.531 -2.402 2.394 51 H THR 6 HN THR 6 -1.263 -5.385 5.663 52 HA THR 6 HA THR 6 -0.220 -4.347 8.250 53 HB THR 6 HB THR 6 -0.898 -6.364 9.320 54 HG1 THR 6 HG1 THR 6 -0.742 -8.050 8.089 55 1HG2 THR 6 HG21 THR 6 -3.086 -5.398 7.454 56 2HG2 THR 6 HG22 THR 6 -2.728 -4.784 9.068 57 3HG2 THR 6 HG23 THR 6 -3.361 -6.417 8.867 58 H ILE 7 HN ILE 7 1.787 -4.807 8.731 59 HA ILE 7 HA ILE 7 3.324 -6.626 6.970 60 HB ILE 7 HB ILE 7 3.949 -4.042 8.375 61 1HG1 ILE 7 HG12 ILE 7 3.132 -4.334 5.892 62 2HG1 ILE 7 HG11 ILE 7 4.445 -3.217 6.241 63 1HG2 ILE 7 HG21 ILE 7 5.867 -6.264 7.692 64 2HG2 ILE 7 HG22 ILE 7 5.885 -5.151 9.062 65 3HG2 ILE 7 HG23 ILE 7 6.401 -4.595 7.471 66 1HD1 ILE 7 HD11 ILE 7 6.052 -4.578 5.268 67 2HD1 ILE 7 HD12 ILE 7 4.656 -4.992 4.274 68 3HD1 ILE 7 HD13 ILE 7 5.151 -6.060 5.586 69 H ALA 8 HN ALA 8 4.314 -8.347 7.914 70 HA ALA 8 HA ALA 8 3.772 -9.035 10.595 71 1HB ALA 8 HB1 ALA 8 5.497 -10.837 10.158 72 2HB ALA 8 HB2 ALA 8 5.745 -10.103 8.572 73 3HB ALA 8 HB3 ALA 8 4.169 -10.774 8.997 74 H LYS 9 HN LYS 9 4.752 -8.641 12.335 75 HA LYS 9 HA LYS 9 6.706 -6.678 12.619 76 1HB LYS 9 HB2 LYS 9 5.092 -7.204 14.408 77 2HB LYS 9 HB1 LYS 9 5.845 -8.777 14.633 78 1HG LYS 9 HG2 LYS 9 7.958 -7.676 15.319 79 2HG LYS 9 HG1 LYS 9 7.205 -6.092 15.101 80 1HD LYS 9 HD2 LYS 9 5.599 -6.535 16.842 81 2HD LYS 9 HD1 LYS 9 6.126 -8.213 16.972 82 1HE LYS 9 HE2 LYS 9 8.041 -5.922 17.424 83 2HE LYS 9 HE1 LYS 9 7.038 -6.558 18.727 84 1HZ LYS 9 HZ1 LYS 9 9.424 -7.530 18.142 85 2HZ LYS 9 HZ2 LYS 9 8.481 -8.512 17.126 86 3HZ LYS 9 HZ3 LYS 9 8.183 -8.480 18.799 87 H THR 10 HN THR 10 7.112 -10.074 12.096 88 HA THR 10 HA THR 10 9.733 -10.382 13.135 89 HB THR 10 HB THR 10 9.854 -12.255 11.431 90 HG1 THR 10 HG1 THR 10 8.402 -11.311 9.947 91 1HG2 THR 10 HG21 THR 10 7.954 -13.531 12.560 92 2HG2 THR 10 HG22 THR 10 7.577 -12.030 13.405 93 3HG2 THR 10 HG23 THR 10 9.145 -12.803 13.637 94 H SER 11 HN SER 11 8.510 -8.533 10.565 95 HA SER 11 HA SER 11 11.199 -8.315 9.305 96 1HB SER 11 HB2 SER 11 10.152 -7.919 7.204 97 2HB SER 11 HB1 SER 11 9.353 -9.335 7.883 98 HG SER 11 HG SER 11 7.838 -7.830 7.105 99 HA PRO 12 HA PRO 12 10.048 -4.128 10.999 100 1HB PRO 12 HB2 PRO 12 12.719 -3.888 12.061 101 2HB PRO 12 HB1 PRO 12 11.219 -4.093 12.981 102 1HG PRO 12 HG2 PRO 12 13.255 -5.971 12.817 103 2HG PRO 12 HG1 PRO 12 11.583 -6.315 13.293 104 1HD PRO 12 HD2 PRO 12 12.929 -6.791 10.657 105 2HD PRO 12 HD1 PRO 12 11.667 -7.731 11.472 106 H LEU 13 HN LEU 13 10.124 -2.358 9.980 107 HA LEU 13 HA LEU 13 12.222 -2.024 7.920 108 1HB LEU 13 HB2 LEU 13 9.589 -0.548 8.127 109 2HB LEU 13 HB1 LEU 13 10.662 -0.656 6.733 110 HG LEU 13 HG LEU 13 9.038 -2.909 7.952 111 1HD1 LEU 13 HD11 LEU 13 8.963 -1.914 5.099 112 2HD1 LEU 13 HD12 LEU 13 7.968 -1.171 6.353 113 3HD1 LEU 13 HD13 LEU 13 7.765 -2.877 5.961 114 1HD2 LEU 13 HD21 LEU 13 11.017 -4.002 7.289 115 2HD2 LEU 13 HD22 LEU 13 11.282 -2.917 5.928 116 3HD2 LEU 13 HD23 LEU 13 10.012 -4.137 5.849 117 HA PRO 14 HA PRO 14 14.074 1.126 10.318 118 1HB PRO 14 HB2 PRO 14 14.187 3.202 8.278 119 2HB PRO 14 HB1 PRO 14 15.502 2.153 8.835 120 1HG PRO 14 HG2 PRO 14 13.870 1.940 6.419 121 2HG PRO 14 HG1 PRO 14 15.394 1.134 6.813 122 1HD PRO 14 HD2 PRO 14 12.922 -0.140 6.695 123 2HD PRO 14 HD1 PRO 14 14.326 -0.757 7.588 124 H ALA 15 HN ALA 15 13.661 2.893 11.488 125 HA ALA 15 HA ALA 15 11.048 3.507 12.177 126 1HB ALA 15 HB1 ALA 15 13.093 3.813 13.565 127 2HB ALA 15 HB2 ALA 15 11.982 5.184 13.609 128 3HB ALA 15 HB3 ALA 15 13.450 5.268 12.634 129 H GLY 16 HN GLY 16 10.897 3.954 9.442 130 1HA GLY 16 HA2 GLY 16 9.789 6.576 9.307 131 2HA GLY 16 HA1 GLY 16 11.330 6.550 8.501 132 H ALA 17 HN ALA 17 10.770 3.591 7.953 133 HA ALA 17 HA ALA 17 9.897 3.991 5.270 134 1HB ALA 17 HB1 ALA 17 10.782 1.665 6.915 135 2HB ALA 17 HB2 ALA 17 11.426 2.256 5.387 136 3HB ALA 17 HB3 ALA 17 9.923 1.332 5.409 137 H ILE 18 HN ILE 18 8.127 2.567 7.991 138 HA ILE 18 HA ILE 18 5.997 1.706 6.385 139 HB ILE 18 HB ILE 18 6.105 2.560 9.280 140 1HG1 ILE 18 HG12 ILE 18 7.242 0.400 8.255 141 2HG1 ILE 18 HG11 ILE 18 6.347 0.290 9.761 142 1HG2 ILE 18 HG21 ILE 18 3.855 1.276 9.373 143 2HG2 ILE 18 HG22 ILE 18 3.777 1.568 7.636 144 3HG2 ILE 18 HG23 ILE 18 3.834 2.929 8.758 145 1HD1 ILE 18 HD11 ILE 18 5.867 -1.495 7.955 146 2HD1 ILE 18 HD12 ILE 18 4.984 -0.221 7.120 147 3HD1 ILE 18 HD13 ILE 18 4.485 -0.728 8.732 148 H ASP 19 HN ASP 19 6.439 4.775 8.150 149 HA ASP 19 HA ASP 19 4.024 5.955 7.206 150 1HB ASP 19 HB2 ASP 19 5.441 6.852 9.130 151 2HB ASP 19 HB1 ASP 19 6.566 7.453 7.913 152 H ALA 20 HN ALA 20 7.282 5.807 5.845 153 HA ALA 20 HA ALA 20 6.698 7.557 3.714 154 1HB ALA 20 HB1 ALA 20 9.004 6.629 4.538 155 2HB ALA 20 HB2 ALA 20 8.780 6.971 2.827 156 3HB ALA 20 HB3 ALA 20 8.679 5.311 3.417 157 H LEU 21 HN LEU 21 6.412 4.062 4.088 158 HA LEU 21 HA LEU 21 5.710 3.381 1.478 159 1HB LEU 21 HB2 LEU 21 6.413 1.703 3.026 160 2HB LEU 21 HB1 LEU 21 5.163 2.149 4.179 161 HG LEU 21 HG LEU 21 3.448 1.375 2.586 162 1HD1 LEU 21 HD11 LEU 21 4.277 -0.063 0.661 163 2HD1 LEU 21 HD12 LEU 21 5.874 0.625 0.941 164 3HD1 LEU 21 HD13 LEU 21 4.538 1.667 0.456 165 1HD2 LEU 21 HD21 LEU 21 5.619 -0.626 3.242 166 2HD2 LEU 21 HD22 LEU 21 3.970 -1.051 2.783 167 3HD2 LEU 21 HD23 LEU 21 4.269 -0.169 4.281 168 H ALA 22 HN ALA 22 3.681 4.134 4.282 169 HA ALA 22 HA ALA 22 1.154 3.826 3.011 170 1HB ALA 22 HB1 ALA 22 0.288 5.188 4.857 171 2HB ALA 22 HB2 ALA 22 1.928 5.662 5.296 172 3HB ALA 22 HB3 ALA 22 1.418 3.983 5.474 173 H GLY 23 HN GLY 23 3.344 6.606 3.219 174 1HA GLY 23 HA2 GLY 23 1.533 8.421 1.949 175 2HA GLY 23 HA1 GLY 23 3.292 8.596 2.149 176 H GLU 24 HN GLU 24 4.199 6.390 0.649 177 HA GLU 24 HA GLU 24 3.883 7.399 -1.967 178 1HB GLU 24 HB2 GLU 24 5.804 5.900 -0.879 179 2HB GLU 24 HB1 GLU 24 4.830 4.571 -1.500 180 1HG GLU 24 HG2 GLU 24 5.856 6.899 -3.156 181 2HG GLU 24 HG1 GLU 24 6.552 5.282 -3.135 182 H LEU 25 HN LEU 25 2.441 4.603 -0.327 183 HA LEU 25 HA LEU 25 1.099 3.586 -2.581 184 1HB LEU 25 HB2 LEU 25 0.464 3.366 0.353 185 2HB LEU 25 HB1 LEU 25 -0.466 2.535 -0.889 186 HG LEU 25 HG LEU 25 2.536 2.256 -0.555 187 1HD1 LEU 25 HD11 LEU 25 0.261 0.515 0.438 188 2HD1 LEU 25 HD12 LEU 25 1.439 1.375 1.425 189 3HD1 LEU 25 HD13 LEU 25 1.952 0.018 0.424 190 1HD2 LEU 25 HD21 LEU 25 2.127 1.519 -2.734 191 2HD2 LEU 25 HD22 LEU 25 0.473 1.024 -2.374 192 3HD2 LEU 25 HD23 LEU 25 1.829 0.026 -1.853 193 H SER 26 HN SER 26 0.056 5.986 -0.192 194 HA SER 26 HA SER 26 -2.612 6.200 -1.058 195 1HB SER 26 HB2 SER 26 -0.833 8.315 0.169 196 2HB SER 26 HB1 SER 26 -2.586 8.416 0.029 197 HG SER 26 HG SER 26 -1.449 7.475 2.037 198 H ARG 27 HN ARG 27 0.277 8.038 -2.102 199 HA ARG 27 HA ARG 27 -1.093 9.744 -3.894 200 1HB ARG 27 HB2 ARG 27 1.243 10.136 -3.182 201 2HB ARG 27 HB1 ARG 27 1.748 8.692 -4.056 202 1HG ARG 27 HG2 ARG 27 0.972 9.696 -6.177 203 2HG ARG 27 HG1 ARG 27 0.458 11.141 -5.305 204 1HD ARG 27 HD2 ARG 27 3.295 10.078 -5.431 205 2HD ARG 27 HD1 ARG 27 2.680 11.452 -6.346 206 HE ARG 27 HE ARG 27 2.270 11.751 -3.515 207 1HH1 ARG 27 HH11 ARG 27 4.053 12.644 -6.295 208 2HH1 ARG 27 HH12 ARG 27 5.228 13.581 -5.433 209 1HH2 ARG 27 HH21 ARG 27 4.016 12.713 -2.303 210 2HH2 ARG 27 HH22 ARG 27 5.206 13.619 -3.175 211 H ARG 28 HN ARG 28 0.310 6.508 -4.367 212 HA ARG 28 HA ARG 28 -0.169 6.386 -7.151 213 1HB ARG 28 HB2 ARG 28 0.068 4.196 -5.089 214 2HB ARG 28 HB1 ARG 28 -0.022 3.909 -6.828 215 1HG ARG 28 HG2 ARG 28 1.958 5.476 -7.091 216 2HG ARG 28 HG1 ARG 28 2.109 5.460 -5.337 217 1HD ARG 28 HD2 ARG 28 3.601 3.784 -6.111 218 2HD ARG 28 HD1 ARG 28 2.190 2.916 -5.508 219 HE ARG 28 HE ARG 28 1.439 2.811 -7.905 220 1HH1 ARG 28 HH21 ARG 28 3.826 4.531 -8.851 221 2HH1 ARG 28 HH22 ARG 28 4.837 3.318 -9.561 222 1HH2 ARG 28 HH11 ARG 28 3.163 0.675 -8.068 223 2HH2 ARG 28 HH12 ARG 28 4.463 1.135 -9.117 224 H ILE 29 HN ILE 29 -2.166 5.520 -4.370 225 HA ILE 29 HA ILE 29 -4.268 4.292 -5.812 226 HB ILE 29 HB ILE 29 -4.163 5.592 -3.095 227 1HG1 ILE 29 HG12 ILE 29 -2.896 3.489 -3.367 228 2HG1 ILE 29 HG11 ILE 29 -4.269 3.262 -2.297 229 1HG2 ILE 29 HG21 ILE 29 -6.368 4.347 -2.732 230 2HG2 ILE 29 HG22 ILE 29 -6.476 4.240 -4.489 231 3HG2 ILE 29 HG23 ILE 29 -6.447 5.818 -3.701 232 1HD1 ILE 29 HD11 ILE 29 -5.445 2.544 -4.621 233 2HD1 ILE 29 HD12 ILE 29 -4.539 1.403 -3.635 234 3HD1 ILE 29 HD13 ILE 29 -3.774 2.157 -5.027 235 H GLN 30 HN GLN 30 -3.842 7.605 -4.675 236 HA GLN 30 HA GLN 30 -6.344 8.624 -5.588 237 1HB GLN 30 HB2 GLN 30 -4.906 9.833 -3.969 238 2HB GLN 30 HB1 GLN 30 -3.690 10.054 -5.225 239 1HG GLN 30 HG2 GLN 30 -5.186 11.426 -6.533 240 2HG GLN 30 HG1 GLN 30 -6.540 11.065 -5.463 241 1HE2 GLN 30 HE21 GLN 30 -5.888 13.752 -5.839 242 2HE2 GLN 30 HE22 GLN 30 -5.165 14.371 -4.434 243 H TYR 31 HN TYR 31 -3.181 8.431 -7.262 244 HA TYR 31 HA TYR 31 -4.126 9.796 -9.555 245 1HB TYR 31 HB2 TYR 31 -1.784 8.010 -8.946 246 2HB TYR 31 HB1 TYR 31 -2.153 8.372 -10.632 247 HD1 TYR 31 HD1 TYR 31 -2.108 10.273 -7.386 248 HD2 TYR 31 HD2 TYR 31 -0.930 10.156 -11.516 249 HE1 TYR 31 HE1 TYR 31 -1.020 12.485 -7.139 250 HE2 TYR 31 HE2 TYR 31 0.156 12.369 -11.268 251 HH TYR 31 HH TYR 31 0.092 14.297 -9.859 252 H ALA 32 HN ALA 32 -4.099 6.380 -8.633 253 HA ALA 32 HA ALA 32 -5.033 5.417 -11.139 254 1HB ALA 32 HB1 ALA 32 -4.979 4.238 -8.367 255 2HB ALA 32 HB2 ALA 32 -3.915 3.880 -9.727 256 3HB ALA 32 HB3 ALA 32 -5.598 3.356 -9.763 257 H PHE 33 HN PHE 33 -6.601 6.425 -8.159 258 HA PHE 33 HA PHE 33 -9.279 6.044 -9.401 259 1HB PHE 33 HB2 PHE 33 -8.415 5.876 -6.513 260 2HB PHE 33 HB1 PHE 33 -10.091 5.859 -7.058 261 HD1 PHE 33 HD1 PHE 33 -10.914 4.023 -8.543 262 HD2 PHE 33 HD2 PHE 33 -7.003 3.947 -6.766 263 HE1 PHE 33 HE1 PHE 33 -10.735 1.600 -9.039 264 HE2 PHE 33 HE2 PHE 33 -6.827 1.523 -7.261 265 HZ PHE 33 HZ PHE 33 -8.691 0.350 -8.398 266 HA PRO 34 HA PRO 34 -8.742 10.567 -8.687 267 1HB PRO 34 HB2 PRO 34 -10.337 11.070 -11.055 268 2HB PRO 34 HB1 PRO 34 -8.615 11.382 -10.796 269 1HG PRO 34 HG2 PRO 34 -9.671 9.451 -12.495 270 2HG PRO 34 HG1 PRO 34 -8.005 9.501 -11.898 271 1HD PRO 34 HD2 PRO 34 -10.268 7.772 -11.013 272 2HD PRO 34 HD1 PRO 34 -8.517 7.461 -10.981 273 H ASP 35 HN ASP 35 -11.603 8.720 -9.480 274 HA ASP 35 HA ASP 35 -13.425 10.772 -8.480 275 1HB ASP 35 HB2 ASP 35 -15.193 9.305 -9.308 276 2HB ASP 35 HB1 ASP 35 -13.980 9.617 -10.546 277 H ASN 36 HN ASN 36 -11.778 8.147 -6.979 278 HA ASN 36 HA ASN 36 -13.991 7.916 -5.002 279 1HB ASN 36 HB2 ASN 36 -12.005 5.790 -5.769 280 2HB ASN 36 HB1 ASN 36 -13.305 5.629 -4.596 281 1HD2 ASN 36 HD21 ASN 36 -15.463 6.822 -5.877 282 2HD2 ASN 36 HD22 ASN 36 -15.807 6.002 -7.323 283 H GLU 37 HN GLU 37 -13.371 8.499 -2.823 284 HA GLU 37 HA GLU 37 -10.823 9.442 -2.156 285 1HB GLU 37 HB2 GLU 37 -12.998 8.254 -0.431 286 2HB GLU 37 HB1 GLU 37 -11.694 9.303 0.109 287 1HG GLU 37 HG2 GLU 37 -12.582 11.141 -1.318 288 2HG GLU 37 HG1 GLU 37 -13.883 10.077 -1.858 289 H GLY 38 HN GLY 38 -9.003 8.242 -1.779 290 1HA GLY 38 HA2 GLY 38 -9.270 5.349 -1.061 291 2HA GLY 38 HA1 GLY 38 -7.934 5.927 -1.803 292 H HIS 39 HN HIS 39 -8.802 4.913 1.220 293 HA HIS 39 HA HIS 39 -6.926 6.794 2.514 294 1HB HIS 39 HB2 HIS 39 -9.155 6.856 3.534 295 2HB HIS 39 HB1 HIS 39 -9.114 5.105 3.761 296 HD1 HIS 39 HD1 HIS 39 -6.676 7.944 4.565 297 HD2 HIS 39 HD2 HIS 39 -8.331 4.558 6.347 298 HE1 HIS 39 HE1 HIS 39 -5.663 7.786 6.880 299 H VAL 40 HN VAL 40 -4.984 5.818 3.040 300 HA VAL 40 HA VAL 40 -4.882 2.875 3.085 301 HB VAL 40 HB VAL 40 -2.669 4.846 2.506 302 1HG1 VAL 40 HG11 VAL 40 -1.879 2.699 3.346 303 2HG1 VAL 40 HG12 VAL 40 -1.569 2.795 1.612 304 3HG1 VAL 40 HG13 VAL 40 -2.923 1.842 2.213 305 1HG2 VAL 40 HG21 VAL 40 -3.008 4.141 0.145 306 2HG2 VAL 40 HG22 VAL 40 -4.438 4.954 0.785 307 3HG2 VAL 40 HG23 VAL 40 -4.412 3.197 0.639 308 H SER 41 HN SER 41 -4.288 1.914 4.890 309 HA SER 41 HA SER 41 -2.841 3.465 6.961 310 1HB SER 41 HB2 SER 41 -5.114 3.183 7.782 311 2HB SER 41 HB1 SER 41 -5.080 1.463 7.405 312 HG SER 41 HG SER 41 -3.206 1.420 8.890 313 H VAL 42 HN VAL 42 -1.169 2.478 7.959 314 HA VAL 42 HA VAL 42 -0.613 -0.335 7.231 315 HB VAL 42 HB VAL 42 1.485 1.849 7.299 316 1HG1 VAL 42 HG11 VAL 42 2.383 -0.345 7.762 317 2HG1 VAL 42 HG12 VAL 42 2.810 0.074 6.103 318 3HG1 VAL 42 HG13 VAL 42 1.486 -1.048 6.417 319 1HG2 VAL 42 HG21 VAL 42 0.191 0.540 4.889 320 2HG2 VAL 42 HG22 VAL 42 1.489 1.729 4.850 321 3HG2 VAL 42 HG23 VAL 42 -0.115 2.190 5.424 322 H ARG 43 HN ARG 43 -0.116 -1.588 8.884 323 HA ARG 43 HA ARG 43 1.093 -0.441 11.281 324 1HB ARG 43 HB2 ARG 43 -0.636 -1.331 12.780 325 2HB ARG 43 HB1 ARG 43 -1.323 -0.162 11.651 326 1HG ARG 43 HG2 ARG 43 -1.957 -2.115 10.166 327 2HG ARG 43 HG1 ARG 43 -1.487 -3.180 11.493 328 1HD ARG 43 HD2 ARG 43 -3.132 -2.167 12.961 329 2HD ARG 43 HD1 ARG 43 -3.534 -0.961 11.741 330 HE ARG 43 HE ARG 43 -4.072 -3.234 10.419 331 1HH1 ARG 43 HH11 ARG 43 -4.258 -3.678 13.686 332 2HH1 ARG 43 HH12 ARG 43 -5.968 -3.941 13.769 333 1HH2 ARG 43 HH21 ARG 43 -6.549 -2.944 10.499 334 2HH2 ARG 43 HH22 ARG 43 -7.265 -3.526 11.966 335 H TYR 44 HN TYR 44 1.770 -2.149 12.841 336 HA TYR 44 HA TYR 44 2.669 -4.556 11.419 337 1HB TYR 44 HB2 TYR 44 3.153 -3.660 14.274 338 2HB TYR 44 HB1 TYR 44 3.873 -5.072 13.510 339 HD1 TYR 44 HD1 TYR 44 3.855 -1.397 13.669 340 HD2 TYR 44 HD2 TYR 44 5.554 -4.850 11.782 341 HE1 TYR 44 HE1 TYR 44 5.689 0.006 12.766 342 HE2 TYR 44 HE2 TYR 44 7.397 -3.462 10.877 343 HH TYR 44 HH TYR 44 7.528 0.050 11.519 344 H ALA 45 HN ALA 45 2.041 -6.595 11.769 345 HA ALA 45 HA ALA 45 0.030 -7.160 13.832 346 1HB ALA 45 HB1 ALA 45 -1.116 -6.576 11.638 347 2HB ALA 45 HB2 ALA 45 -1.487 -8.173 12.286 348 3HB ALA 45 HB3 ALA 45 -0.345 -8.005 10.952 349 H ALA 46 HN ALA 46 -0.315 -9.611 13.959 350 HA ALA 46 HA ALA 46 2.203 -10.855 14.229 351 1HB ALA 46 HB1 ALA 46 1.029 -12.832 14.857 352 2HB ALA 46 HB2 ALA 46 -0.394 -12.374 13.922 353 3HB ALA 46 HB3 ALA 46 0.004 -11.504 15.403 354 H ALA 47 HN ALA 47 0.038 -10.633 11.485 355 HA ALA 47 HA ALA 47 2.051 -12.127 9.922 356 1HB ALA 47 HB1 ALA 47 0.313 -13.744 10.409 357 2HB ALA 47 HB2 ALA 47 0.215 -13.290 8.708 358 3HB ALA 47 HB3 ALA 47 -0.933 -12.620 9.867 359 H ASN 48 HN ASN 48 2.154 -11.650 7.701 360 HA ASN 48 HA ASN 48 1.482 -8.940 6.966 361 1HB ASN 48 HB2 ASN 48 3.452 -10.289 6.084 362 2HB ASN 48 HB1 ASN 48 2.289 -11.204 5.127 363 1HD2 ASN 48 HD21 ASN 48 2.436 -10.422 3.013 364 2HD2 ASN 48 HD22 ASN 48 2.462 -8.777 2.594 365 H ASN 49 HN ASN 49 -0.457 -8.266 6.119 366 HA ASN 49 HA ASN 49 -2.087 -10.122 4.558 367 1HB ASN 49 HB2 ASN 49 -3.133 -8.790 7.067 368 2HB ASN 49 HB1 ASN 49 -4.105 -9.682 5.899 369 1HD2 ASN 49 HD21 ASN 49 -2.599 -11.939 5.374 370 2HD2 ASN 49 HD22 ASN 49 -2.335 -12.820 6.801 371 H LEU 50 HN LEU 50 -3.592 -9.084 3.209 372 HA LEU 50 HA LEU 50 -3.519 -6.125 3.158 373 1HB LEU 50 HB2 LEU 50 -2.156 -7.210 1.307 374 2HB LEU 50 HB1 LEU 50 -3.637 -7.995 0.765 375 HG LEU 50 HG LEU 50 -4.606 -5.531 0.749 376 1HD1 LEU 50 HD11 LEU 50 -2.442 -4.644 1.793 377 2HD1 LEU 50 HD12 LEU 50 -3.021 -3.790 0.370 378 3HD1 LEU 50 HD13 LEU 50 -1.686 -4.929 0.228 379 1HD2 LEU 50 HD21 LEU 50 -4.540 -6.662 -1.320 380 2HD2 LEU 50 HD22 LEU 50 -2.782 -6.804 -1.297 381 3HD2 LEU 50 HD23 LEU 50 -3.537 -5.243 -1.616 382 H SER 51 HN SER 51 -5.596 -5.362 3.483 383 HA SER 51 HA SER 51 -7.858 -7.102 2.651 384 1HB SER 51 HB2 SER 51 -7.747 -7.033 5.062 385 2HB SER 51 HB1 SER 51 -7.582 -5.280 5.051 386 HG SER 51 HG SER 51 -9.664 -5.232 4.017 387 H VAL 52 HN VAL 52 -9.257 -6.139 1.237 388 HA VAL 52 HA VAL 52 -9.217 -3.196 0.999 389 HB VAL 52 HB VAL 52 -9.539 -5.207 -1.244 390 1HG1 VAL 52 HG11 VAL 52 -9.472 -3.127 -2.659 391 2HG1 VAL 52 HG12 VAL 52 -9.593 -2.176 -1.179 392 3HG1 VAL 52 HG13 VAL 52 -10.912 -3.248 -1.649 393 1HG2 VAL 52 HG21 VAL 52 -7.318 -3.256 -0.554 394 2HG2 VAL 52 HG22 VAL 52 -7.404 -4.193 -2.046 395 3HG2 VAL 52 HG23 VAL 52 -7.214 -5.015 -0.497 396 H ILE 53 HN ILE 53 -11.195 -2.299 1.358 397 HA ILE 53 HA ILE 53 -13.597 -4.034 1.084 398 HB ILE 53 HB ILE 53 -13.125 -1.781 3.056 399 1HG1 ILE 53 HG12 ILE 53 -13.419 -4.754 3.600 400 2HG1 ILE 53 HG11 ILE 53 -11.856 -3.945 3.480 401 1HG2 ILE 53 HG21 ILE 53 -15.444 -3.660 2.541 402 2HG2 ILE 53 HG22 ILE 53 -15.453 -1.898 2.468 403 3HG2 ILE 53 HG23 ILE 53 -15.279 -2.714 4.021 404 1HD1 ILE 53 HD11 ILE 53 -12.831 -4.191 5.836 405 2HD1 ILE 53 HD12 ILE 53 -14.020 -2.982 5.356 406 3HD1 ILE 53 HD13 ILE 53 -12.304 -2.573 5.372 407 H GLY 54 HN GLY 54 -15.148 -3.324 -0.255 408 1HA GLY 54 HA2 GLY 54 -16.586 -1.706 -1.211 409 2HA GLY 54 HA1 GLY 54 -15.426 -0.453 -0.778 410 H ALA 55 HN ALA 55 -14.049 -3.218 -2.334 411 HA ALA 55 HA ALA 55 -13.968 -1.715 -4.899 412 1HB ALA 55 HB1 ALA 55 -11.680 -3.466 -4.063 413 2HB ALA 55 HB2 ALA 55 -11.838 -1.869 -3.339 414 3HB ALA 55 HB3 ALA 55 -11.680 -2.030 -5.088 415 H THR 56 HN THR 56 -13.446 -2.965 -6.780 416 HA THR 56 HA THR 56 -14.852 -5.573 -6.990 417 HB THR 56 HB THR 56 -14.547 -5.158 -9.369 418 HG1 THR 56 HG1 THR 56 -12.722 -3.536 -8.620 419 1HG2 THR 56 HG21 THR 56 -16.595 -4.395 -8.220 420 2HG2 THR 56 HG22 THR 56 -16.163 -3.296 -9.530 421 3HG2 THR 56 HG23 THR 56 -15.823 -2.852 -7.857 422 H LYS 57 HN LYS 57 -13.932 -7.208 -8.160 423 HA LYS 57 HA LYS 57 -11.442 -8.059 -7.303 424 1HB LYS 57 HB2 LYS 57 -11.686 -9.853 -8.918 425 2HB LYS 57 HB1 LYS 57 -13.252 -9.507 -8.187 426 1HG LYS 57 HG2 LYS 57 -13.756 -8.020 -10.160 427 2HG LYS 57 HG1 LYS 57 -12.279 -8.624 -10.911 428 1HD LYS 57 HD2 LYS 57 -13.177 -10.962 -10.614 429 2HD LYS 57 HD1 LYS 57 -14.702 -10.248 -10.093 430 1HE LYS 57 HE2 LYS 57 -14.852 -10.758 -12.465 431 2HE LYS 57 HE1 LYS 57 -14.805 -9.008 -12.267 432 1HZ LYS 57 HZ1 LYS 57 -12.795 -10.812 -13.372 433 2HZ LYS 57 HZ2 LYS 57 -12.228 -9.481 -12.482 434 3HZ LYS 57 HZ3 LYS 57 -13.215 -9.238 -13.842 435 H GLU 58 HN GLU 58 -12.216 -6.388 -10.416 436 HA GLU 58 HA GLU 58 -9.585 -6.735 -11.452 437 1HB GLU 58 HB2 GLU 58 -11.862 -4.867 -12.113 438 2HB GLU 58 HB1 GLU 58 -10.305 -4.761 -12.932 439 1HG GLU 58 HG2 GLU 58 -10.508 -7.111 -13.642 440 2HG GLU 58 HG1 GLU 58 -12.067 -7.233 -12.833 441 H ASP 59 HN ASP 59 -11.128 -4.232 -9.477 442 HA ASP 59 HA ASP 59 -9.019 -2.358 -9.641 443 1HB ASP 59 HB2 ASP 59 -11.132 -2.836 -7.526 444 2HB ASP 59 HB1 ASP 59 -9.988 -1.495 -7.459 445 H LYS 60 HN LYS 60 -9.786 -4.997 -7.436 446 HA LYS 60 HA LYS 60 -7.592 -4.606 -5.685 447 1HB LYS 60 HB2 LYS 60 -9.603 -5.978 -5.113 448 2HB LYS 60 HB1 LYS 60 -9.058 -7.196 -6.265 449 1HG LYS 60 HG2 LYS 60 -6.959 -7.468 -4.992 450 2HG LYS 60 HG1 LYS 60 -7.502 -6.250 -3.838 451 1HD LYS 60 HD2 LYS 60 -9.449 -7.658 -3.267 452 2HD LYS 60 HD1 LYS 60 -8.900 -8.878 -4.417 453 1HE LYS 60 HE2 LYS 60 -6.900 -9.292 -3.150 454 2HE LYS 60 HE1 LYS 60 -7.204 -7.901 -2.109 455 1HZ LYS 60 HZ1 LYS 60 -8.840 -8.981 -0.978 456 2HZ LYS 60 HZ2 LYS 60 -7.853 -10.308 -1.365 457 3HZ LYS 60 HZ3 LYS 60 -9.250 -9.990 -2.277 458 H GLN 61 HN GLN 61 -7.810 -6.578 -8.673 459 HA GLN 61 HA GLN 61 -5.236 -7.756 -8.313 460 1HB GLN 61 HB2 GLN 61 -6.978 -8.516 -9.995 461 2HB GLN 61 HB1 GLN 61 -6.612 -7.067 -10.932 462 1HG GLN 61 HG2 GLN 61 -4.254 -7.770 -11.104 463 2HG GLN 61 HG1 GLN 61 -4.618 -9.219 -10.169 464 1HE2 GLN 61 HE21 GLN 61 -4.083 -10.646 -11.976 465 2HE2 GLN 61 HE22 GLN 61 -5.099 -10.765 -13.331 466 H ARG 62 HN ARG 62 -6.385 -4.760 -9.890 467 HA ARG 62 HA ARG 62 -3.882 -3.983 -10.873 468 1HB ARG 62 HB2 ARG 62 -5.984 -2.911 -11.604 469 2HB ARG 62 HB1 ARG 62 -6.206 -2.237 -9.990 470 1HG ARG 62 HG2 ARG 62 -4.104 -0.962 -10.230 471 2HG ARG 62 HG1 ARG 62 -3.876 -1.634 -11.843 472 1HD ARG 62 HD2 ARG 62 -6.008 -0.616 -12.557 473 2HD ARG 62 HD1 ARG 62 -6.215 0.071 -10.947 474 HE ARG 62 HE ARG 62 -4.606 1.676 -11.473 475 1HH1 ARG 62 HH11 ARG 62 -5.561 1.600 -14.285 476 2HH1 ARG 62 HH12 ARG 62 -4.108 1.317 -15.184 477 1HH2 ARG 62 HH21 ARG 62 -2.303 0.227 -12.429 478 2HH2 ARG 62 HH22 ARG 62 -2.263 0.539 -14.133 479 H ILE 63 HN ILE 63 -5.462 -3.279 -7.782 480 HA ILE 63 HA ILE 63 -3.400 -1.640 -6.776 481 HB ILE 63 HB ILE 63 -5.395 -3.347 -5.311 482 1HG1 ILE 63 HG12 ILE 63 -5.297 -0.336 -5.539 483 2HG1 ILE 63 HG11 ILE 63 -6.138 -1.330 -6.727 484 1HG2 ILE 63 HG21 ILE 63 -3.605 -3.046 -3.760 485 2HG2 ILE 63 HG22 ILE 63 -4.788 -1.802 -3.357 486 3HG2 ILE 63 HG23 ILE 63 -3.346 -1.381 -4.282 487 1HD1 ILE 63 HD11 ILE 63 -6.676 -1.421 -3.745 488 2HD1 ILE 63 HD12 ILE 63 -7.581 -2.261 -5.005 489 3HD1 ILE 63 HD13 ILE 63 -7.641 -0.502 -4.902 490 H SER 64 HN SER 64 -3.789 -5.138 -6.579 491 HA SER 64 HA SER 64 -1.516 -5.609 -4.942 492 1HB SER 64 HB2 SER 64 -3.162 -7.383 -5.477 493 2HB SER 64 HB1 SER 64 -2.654 -7.340 -7.163 494 HG SER 64 HG SER 64 -0.655 -7.633 -5.262 495 H GLU 65 HN GLU 65 -1.901 -5.288 -8.526 496 HA GLU 65 HA GLU 65 0.799 -5.785 -9.135 497 1HB GLU 65 HB2 GLU 65 -1.302 -4.153 -10.584 498 2HB GLU 65 HB1 GLU 65 0.306 -4.463 -11.242 499 1HG GLU 65 HG2 GLU 65 -1.596 -6.648 -10.357 500 2HG GLU 65 HG1 GLU 65 -1.457 -6.090 -12.023 501 H ILE 66 HN ILE 66 -0.894 -2.789 -8.331 502 HA ILE 66 HA ILE 66 1.249 -1.021 -8.743 503 HB ILE 66 HB ILE 66 -1.164 -0.941 -6.932 504 1HG1 ILE 66 HG12 ILE 66 -0.417 0.735 -9.343 505 2HG1 ILE 66 HG11 ILE 66 -1.347 -0.758 -9.457 506 1HG2 ILE 66 HG21 ILE 66 -0.508 1.601 -6.821 507 2HG2 ILE 66 HG22 ILE 66 1.119 1.006 -7.142 508 3HG2 ILE 66 HG23 ILE 66 0.254 0.466 -5.708 509 1HD1 ILE 66 HD11 ILE 66 -2.661 1.469 -9.308 510 2HD1 ILE 66 HD12 ILE 66 -2.201 1.469 -7.606 511 3HD1 ILE 66 HD13 ILE 66 -3.169 0.149 -8.258 512 H LEU 67 HN LEU 67 0.237 -2.790 -5.847 513 HA LEU 67 HA LEU 67 2.213 -1.783 -4.127 514 1HB LEU 67 HB2 LEU 67 0.352 -2.995 -3.175 515 2HB LEU 67 HB1 LEU 67 0.689 -4.404 -4.172 516 HG LEU 67 HG LEU 67 2.890 -4.665 -2.945 517 1HD1 LEU 67 HD11 LEU 67 3.364 -2.547 -2.004 518 2HD1 LEU 67 HD12 LEU 67 2.820 -3.487 -0.620 519 3HD1 LEU 67 HD13 LEU 67 1.720 -2.347 -1.394 520 1HD2 LEU 67 HD21 LEU 67 1.040 -6.061 -2.316 521 2HD2 LEU 67 HD22 LEU 67 0.271 -4.748 -1.423 522 3HD2 LEU 67 HD23 LEU 67 1.764 -5.469 -0.820 523 H GLN 68 HN GLN 68 2.198 -4.553 -6.319 524 HA GLN 68 HA GLN 68 4.777 -5.520 -5.616 525 1HB GLN 68 HB2 GLN 68 3.167 -6.830 -6.977 526 2HB GLN 68 HB1 GLN 68 3.348 -5.663 -8.287 527 1HG GLN 68 HG2 GLN 68 5.740 -6.188 -8.461 528 2HG GLN 68 HG1 GLN 68 5.606 -7.306 -7.103 529 1HE2 GLN 68 HE21 GLN 68 6.153 -9.199 -8.364 530 2HE2 GLN 68 HE22 GLN 68 5.113 -9.811 -9.558 531 H GLU 69 HN GLU 69 3.808 -3.273 -8.272 532 HA GLU 69 HA GLU 69 6.421 -2.843 -9.157 533 1HB GLU 69 HB2 GLU 69 3.950 -1.129 -9.352 534 2HB GLU 69 HB1 GLU 69 5.474 -0.713 -10.136 535 1HG GLU 69 HG2 GLU 69 5.453 -2.870 -11.331 536 2HG GLU 69 HG1 GLU 69 3.929 -3.289 -10.553 537 H THR 70 HN THR 70 4.559 -0.953 -6.759 538 HA THR 70 HA THR 70 6.456 1.085 -6.396 539 HB THR 70 HB THR 70 4.584 -0.081 -4.367 540 HG1 THR 70 HG1 THR 70 4.269 2.102 -6.134 541 1HG2 THR 70 HG21 THR 70 6.026 2.566 -4.533 542 2HG2 THR 70 HG22 THR 70 6.245 1.320 -3.305 543 3HG2 THR 70 HG23 THR 70 4.731 2.221 -3.386 544 H TRP 71 HN TRP 71 5.928 -1.914 -4.715 545 HA TRP 71 HA TRP 71 7.991 -1.790 -2.886 546 1HB TRP 71 HB2 TRP 71 6.160 -3.313 -2.676 547 2HB TRP 71 HB1 TRP 71 6.575 -4.084 -4.195 548 HD1 TRP 71 HD1 TRP 71 7.423 -6.399 -3.673 549 HE1 TRP 71 HE1 TRP 71 9.050 -7.458 -1.982 550 HE3 TRP 71 HE3 TRP 71 8.538 -2.306 -0.783 551 HZ2 TRP 71 HZ2 TRP 71 10.592 -6.696 0.288 552 HZ3 TRP 71 HZ3 TRP 71 10.073 -2.522 1.135 553 HH2 TRP 71 HH2 TRP 71 11.098 -4.709 1.682 554 H GLU 72 HN GLU 72 7.989 -2.917 -6.199 555 HA GLU 72 HA GLU 72 10.703 -3.828 -6.108 556 1HB GLU 72 HB2 GLU 72 8.796 -3.406 -8.407 557 2HB GLU 72 HB1 GLU 72 10.447 -3.982 -8.632 558 1HG GLU 72 HG2 GLU 72 8.464 -5.308 -6.766 559 2HG GLU 72 HG1 GLU 72 8.709 -5.813 -8.437 560 H SER 73 HN SER 73 9.339 -0.667 -6.583 561 HA SER 73 HA SER 73 11.881 0.241 -7.829 562 1HB SER 73 HB2 SER 73 10.710 2.200 -8.557 563 2HB SER 73 HB1 SER 73 9.690 0.821 -8.953 564 HG SER 73 HG SER 73 9.128 1.570 -6.476 565 H ALA 74 HN ALA 74 11.249 -0.407 -4.926 566 HA ALA 74 HA ALA 74 11.016 1.722 -3.301 567 1HB ALA 74 HB1 ALA 74 12.163 0.392 -1.642 568 2HB ALA 74 HB2 ALA 74 12.838 -0.637 -2.904 569 3HB ALA 74 HB3 ALA 74 11.098 -0.619 -2.619 570 H ASP 75 HN ASP 75 14.020 0.855 -4.989 571 HA ASP 75 HA ASP 75 15.721 2.472 -3.379 572 1HB ASP 75 HB2 ASP 75 15.997 1.386 -6.180 573 2HB ASP 75 HB1 ASP 75 17.278 2.281 -5.364 574 H ASP 76 HN ASP 76 13.510 3.325 -5.926 575 HA ASP 76 HA ASP 76 14.901 5.855 -6.520 576 1HB ASP 76 HB2 ASP 76 12.470 4.489 -7.668 577 2HB ASP 76 HB1 ASP 76 12.969 6.115 -8.135 578 H TRP 77 HN TRP 77 11.736 4.855 -5.172 579 HA TRP 77 HA TRP 77 11.140 7.675 -4.603 580 1HB TRP 77 HB2 TRP 77 8.952 7.027 -4.119 581 2HB TRP 77 HB1 TRP 77 9.442 6.111 -5.525 582 HD1 TRP 77 HD1 TRP 77 9.434 3.484 -5.339 583 HE1 TRP 77 HE1 TRP 77 8.770 1.845 -3.489 584 HE3 TRP 77 HE3 TRP 77 9.042 6.700 -1.289 585 HZ2 TRP 77 HZ2 TRP 77 8.160 1.844 -0.721 586 HZ3 TRP 77 HZ3 TRP 77 8.409 5.797 0.895 587 HH2 TRP 77 HH2 TRP 77 7.975 3.399 1.191 588 H PHE 78 HN PHE 78 12.483 5.038 -2.782 589 HA PHE 78 HA PHE 78 11.671 6.294 -0.235 590 1HB PHE 78 HB2 PHE 78 11.643 3.894 -0.184 591 2HB PHE 78 HB1 PHE 78 13.273 3.811 -0.824 592 HD1 PHE 78 HD1 PHE 78 15.240 4.309 0.550 593 HD2 PHE 78 HD2 PHE 78 11.259 4.621 2.166 594 HE1 PHE 78 HE1 PHE 78 16.174 4.443 2.835 595 HE2 PHE 78 HE2 PHE 78 12.211 4.746 4.449 596 HZ PHE 78 HZ PHE 78 14.664 4.654 4.786 597 H VAL 79 HN VAL 79 12.824 7.798 0.718 598 HA VAL 79 HA VAL 79 15.690 8.073 0.049 599 HB VAL 79 HB VAL 79 15.151 10.577 0.585 600 1HG1 VAL 79 HG11 VAL 79 14.484 10.949 -1.772 601 2HG1 VAL 79 HG12 VAL 79 14.102 9.234 -1.927 602 3HG1 VAL 79 HG13 VAL 79 15.768 9.747 -1.654 603 1HG2 VAL 79 HG21 VAL 79 12.882 11.263 0.257 604 2HG2 VAL 79 HG22 VAL 79 12.810 9.929 1.406 605 3HG2 VAL 79 HG23 VAL 79 12.396 9.656 -0.291 606 H SER 80 HN SER 80 17.075 8.258 1.927 607 HA SER 80 HA SER 80 15.704 8.546 4.552 608 1HB SER 80 HB2 SER 80 17.566 7.071 5.414 609 2HB SER 80 HB1 SER 80 16.445 6.242 4.331 610 HG SER 80 HG SER 80 18.328 7.366 2.849 611 H GLU 81 HN GLU 81 16.557 9.931 5.953 612 HA GLU 81 HA GLU 81 19.249 10.923 5.779 613 1HB GLU 81 HB2 GLU 81 18.197 12.189 3.929 614 2HB GLU 81 HB1 GLU 81 17.000 12.820 5.059 615 1HG GLU 81 HG2 GLU 81 18.801 13.868 6.387 616 2HG GLU 81 HG1 GLU 81 19.999 13.236 5.258 Start of MODEL 16 1 1H MET 1 HT1 MET 1 -14.779 3.824 -0.509 2 2H MET 1 HT2 MET 1 -13.687 4.452 -1.650 3 3H MET 1 HT3 MET 1 -13.405 4.672 0.011 4 HA MET 1 HA MET 1 -13.679 1.931 -0.436 5 1HB MET 1 HB2 MET 1 -13.152 2.433 -2.790 6 2HB MET 1 HB1 MET 1 -11.708 3.313 -2.284 7 1HG MET 1 HG2 MET 1 -10.717 1.308 -1.381 8 2HG MET 1 HG1 MET 1 -12.210 0.404 -1.614 9 1HE MET 1 HE1 MET 1 -9.082 1.884 -2.949 10 2HE MET 1 HE2 MET 1 -10.076 2.921 -3.967 11 3HE MET 1 HE3 MET 1 -9.091 1.661 -4.702 12 H ARG 2 HN ARG 2 -12.145 0.937 0.927 13 HA ARG 2 HA ARG 2 -10.099 2.720 2.137 14 1HB ARG 2 HB2 ARG 2 -11.932 0.728 3.489 15 2HB ARG 2 HB1 ARG 2 -10.507 1.417 4.269 16 1HG ARG 2 HG2 ARG 2 -11.402 3.690 3.912 17 2HG ARG 2 HG1 ARG 2 -12.830 3.003 3.136 18 1HD ARG 2 HD2 ARG 2 -11.959 2.481 5.992 19 2HD ARG 2 HD1 ARG 2 -13.281 3.537 5.501 20 HE ARG 2 HE ARG 2 -13.686 0.960 4.400 21 1HH1 ARG 2 HH11 ARG 2 -12.843 1.339 7.571 22 2HH1 ARG 2 HH12 ARG 2 -14.366 0.881 8.254 23 1HH2 ARG 2 HH21 ARG 2 -16.039 0.922 5.216 24 2HH2 ARG 2 HH22 ARG 2 -16.179 0.644 6.920 25 H ILE 3 HN ILE 3 -8.093 1.917 2.242 26 HA ILE 3 HA ILE 3 -7.642 -0.947 1.516 27 HB ILE 3 HB ILE 3 -5.901 1.463 0.979 28 1HG1 ILE 3 HG12 ILE 3 -7.362 -0.322 -0.981 29 2HG1 ILE 3 HG11 ILE 3 -8.044 1.190 -0.381 30 1HG2 ILE 3 HG21 ILE 3 -4.661 -0.247 -0.430 31 2HG2 ILE 3 HG22 ILE 3 -5.609 -1.491 0.385 32 3HG2 ILE 3 HG23 ILE 3 -4.509 -0.470 1.313 33 1HD1 ILE 3 HD11 ILE 3 -6.734 1.309 -2.594 34 2HD1 ILE 3 HD12 ILE 3 -5.290 1.072 -1.611 35 3HD1 ILE 3 HD13 ILE 3 -6.311 2.487 -1.352 36 H GLU 4 HN GLU 4 -6.660 -2.104 3.104 37 HA GLU 4 HA GLU 4 -4.973 -0.663 5.098 38 1HB GLU 4 HB2 GLU 4 -6.875 -2.975 5.583 39 2HB GLU 4 HB1 GLU 4 -5.717 -2.374 6.769 40 1HG GLU 4 HG2 GLU 4 -6.758 -0.139 6.654 41 2HG GLU 4 HG1 GLU 4 -7.919 -0.741 5.473 42 H VAL 5 HN VAL 5 -2.976 -1.343 5.323 43 HA VAL 5 HA VAL 5 -2.222 -4.016 4.244 44 HB VAL 5 HB VAL 5 -0.429 -1.593 4.371 45 1HG1 VAL 5 HG11 VAL 5 0.799 -2.929 2.610 46 2HG1 VAL 5 HG12 VAL 5 -0.285 -4.271 2.971 47 3HG1 VAL 5 HG13 VAL 5 0.797 -3.652 4.218 48 1HG2 VAL 5 HG21 VAL 5 -0.880 -1.577 1.826 49 2HG2 VAL 5 HG22 VAL 5 -2.130 -0.908 2.873 50 3HG2 VAL 5 HG23 VAL 5 -2.314 -2.527 2.206 51 H THR 6 HN THR 6 -1.161 -5.377 5.562 52 HA THR 6 HA THR 6 -0.095 -4.330 8.133 53 HB THR 6 HB THR 6 -0.630 -6.697 8.971 54 HG1 THR 6 HG1 THR 6 -2.664 -7.262 7.579 55 1HG2 THR 6 HG21 THR 6 -3.074 -6.083 9.293 56 2HG2 THR 6 HG22 THR 6 -2.781 -4.699 8.242 57 3HG2 THR 6 HG23 THR 6 -1.918 -4.841 9.773 58 H ILE 7 HN ILE 7 1.887 -4.868 8.669 59 HA ILE 7 HA ILE 7 3.405 -6.717 6.923 60 HB ILE 7 HB ILE 7 4.120 -4.154 8.327 61 1HG1 ILE 7 HG12 ILE 7 4.518 -5.031 5.452 62 2HG1 ILE 7 HG11 ILE 7 3.100 -4.149 6.018 63 1HG2 ILE 7 HG21 ILE 7 6.003 -5.563 8.800 64 2HG2 ILE 7 HG22 ILE 7 6.471 -4.658 7.362 65 3HG2 ILE 7 HG23 ILE 7 5.924 -6.330 7.215 66 1HD1 ILE 7 HD11 ILE 7 4.682 -2.381 6.909 67 2HD1 ILE 7 HD12 ILE 7 4.638 -2.515 5.152 68 3HD1 ILE 7 HD13 ILE 7 5.979 -3.217 6.056 69 H ALA 8 HN ALA 8 4.406 -8.411 7.905 70 HA ALA 8 HA ALA 8 3.853 -9.081 10.593 71 1HB ALA 8 HB1 ALA 8 5.518 -10.905 10.193 72 2HB ALA 8 HB2 ALA 8 5.888 -10.160 8.637 73 3HB ALA 8 HB3 ALA 8 4.274 -10.800 8.948 74 H LYS 9 HN LYS 9 4.832 -8.763 12.337 75 HA LYS 9 HA LYS 9 6.807 -6.807 12.693 76 1HB LYS 9 HB2 LYS 9 5.680 -8.954 14.513 77 2HB LYS 9 HB1 LYS 9 6.937 -7.868 15.096 78 1HG LYS 9 HG2 LYS 9 5.455 -5.934 14.687 79 2HG LYS 9 HG1 LYS 9 4.202 -7.015 14.062 80 1HD LYS 9 HD2 LYS 9 4.126 -8.155 16.253 81 2HD LYS 9 HD1 LYS 9 5.360 -7.051 16.863 82 1HE LYS 9 HE2 LYS 9 3.879 -5.137 16.471 83 2HE LYS 9 HE1 LYS 9 2.652 -6.205 15.792 84 1HZ LYS 9 HZ1 LYS 9 2.121 -5.763 18.064 85 2HZ LYS 9 HZ2 LYS 9 3.676 -6.215 18.578 86 3HZ LYS 9 HZ3 LYS 9 2.615 -7.382 17.945 87 H THR 10 HN THR 10 7.143 -10.201 12.068 88 HA THR 10 HA THR 10 9.756 -10.595 13.066 89 HB THR 10 HB THR 10 9.850 -12.381 11.278 90 HG1 THR 10 HG1 THR 10 8.303 -11.055 9.964 91 1HG2 THR 10 HG21 THR 10 8.330 -13.813 12.403 92 2HG2 THR 10 HG22 THR 10 7.250 -12.481 12.814 93 3HG2 THR 10 HG23 THR 10 8.811 -12.632 13.619 94 H SER 11 HN SER 11 8.596 -8.539 10.628 95 HA SER 11 HA SER 11 11.325 -8.286 9.467 96 1HB SER 11 HB2 SER 11 8.662 -7.892 8.090 97 2HB SER 11 HB1 SER 11 10.238 -7.577 7.372 98 HG SER 11 HG SER 11 10.644 -9.690 7.303 99 HA PRO 12 HA PRO 12 10.140 -4.168 11.300 100 1HB PRO 12 HB2 PRO 12 12.799 -4.000 12.413 101 2HB PRO 12 HB1 PRO 12 11.278 -4.196 13.300 102 1HG PRO 12 HG2 PRO 12 13.285 -6.113 13.108 103 2HG PRO 12 HG1 PRO 12 11.609 -6.425 13.584 104 1HD PRO 12 HD2 PRO 12 12.948 -6.945 10.962 105 2HD PRO 12 HD1 PRO 12 11.605 -7.802 11.738 106 H LEU 13 HN LEU 13 10.263 -2.355 10.337 107 HA LEU 13 HA LEU 13 12.414 -2.007 8.330 108 1HB LEU 13 HB2 LEU 13 9.702 -0.673 8.406 109 2HB LEU 13 HB1 LEU 13 10.849 -0.689 7.068 110 HG LEU 13 HG LEU 13 9.329 -3.067 8.184 111 1HD1 LEU 13 HD11 LEU 13 8.052 -1.555 6.666 112 2HD1 LEU 13 HD12 LEU 13 8.310 -3.150 5.966 113 3HD1 LEU 13 HD13 LEU 13 9.289 -1.789 5.430 114 1HD2 LEU 13 HD21 LEU 13 11.425 -3.984 7.577 115 2HD2 LEU 13 HD22 LEU 13 11.616 -2.888 6.212 116 3HD2 LEU 13 HD23 LEU 13 10.451 -4.208 6.129 117 HA PRO 14 HA PRO 14 14.087 1.303 10.649 118 1HB PRO 14 HB2 PRO 14 14.252 3.255 8.495 119 2HB PRO 14 HB1 PRO 14 15.557 2.288 9.199 120 1HG PRO 14 HG2 PRO 14 14.140 1.892 6.693 121 2HG PRO 14 HG1 PRO 14 15.599 1.087 7.285 122 1HD PRO 14 HD2 PRO 14 13.069 -0.106 7.040 123 2HD PRO 14 HD1 PRO 14 14.419 -0.750 7.991 124 H ALA 15 HN ALA 15 13.662 3.199 11.647 125 HA ALA 15 HA ALA 15 11.013 3.834 12.225 126 1HB ALA 15 HB1 ALA 15 13.122 4.250 13.582 127 2HB ALA 15 HB2 ALA 15 11.878 5.499 13.643 128 3HB ALA 15 HB3 ALA 15 13.310 5.730 12.639 129 H GLY 16 HN GLY 16 10.822 4.078 9.519 130 1HA GLY 16 HA2 GLY 16 9.802 6.720 9.135 131 2HA GLY 16 HA1 GLY 16 11.336 6.537 8.306 132 H ALA 17 HN ALA 17 10.560 3.582 8.168 133 HA ALA 17 HA ALA 17 9.659 3.533 5.454 134 1HB ALA 17 HB1 ALA 17 9.472 1.042 5.982 135 2HB ALA 17 HB2 ALA 17 10.127 1.467 7.567 136 3HB ALA 17 HB3 ALA 17 11.071 1.780 6.113 137 H ILE 18 HN ILE 18 7.807 2.694 8.391 138 HA ILE 18 HA ILE 18 5.616 1.826 6.913 139 HB ILE 18 HB ILE 18 5.685 3.137 9.640 140 1HG1 ILE 18 HG12 ILE 18 6.970 1.059 9.547 141 2HG1 ILE 18 HG11 ILE 18 5.487 0.803 10.453 142 1HG2 ILE 18 HG21 ILE 18 3.461 1.684 8.194 143 2HG2 ILE 18 HG22 ILE 18 3.428 3.317 8.860 144 3HG2 ILE 18 HG23 ILE 18 3.476 1.925 9.941 145 1HD1 ILE 18 HD11 ILE 18 6.275 -0.258 7.772 146 2HD1 ILE 18 HD12 ILE 18 4.563 0.050 8.065 147 3HD1 ILE 18 HD13 ILE 18 5.447 -1.066 9.099 148 H ASP 19 HN ASP 19 6.273 5.037 8.297 149 HA ASP 19 HA ASP 19 3.931 6.242 7.253 150 1HB ASP 19 HB2 ASP 19 6.570 7.448 8.129 151 2HB ASP 19 HB1 ASP 19 5.187 8.416 7.624 152 H ALA 20 HN ALA 20 7.186 5.883 5.867 153 HA ALA 20 HA ALA 20 6.604 7.566 3.684 154 1HB ALA 20 HB1 ALA 20 8.541 5.264 3.441 155 2HB ALA 20 HB2 ALA 20 8.917 6.643 4.472 156 3HB ALA 20 HB3 ALA 20 8.651 6.882 2.745 157 H LEU 21 HN LEU 21 6.228 4.097 4.152 158 HA LEU 21 HA LEU 21 5.509 3.412 1.556 159 1HB LEU 21 HB2 LEU 21 6.147 1.695 3.053 160 2HB LEU 21 HB1 LEU 21 4.996 2.218 4.276 161 HG LEU 21 HG LEU 21 3.142 1.478 2.883 162 1HD1 LEU 21 HD11 LEU 21 5.329 0.721 0.930 163 2HD1 LEU 21 HD12 LEU 21 4.037 1.886 0.675 164 3HD1 LEU 21 HD13 LEU 21 3.660 0.172 0.793 165 1HD2 LEU 21 HD21 LEU 21 5.172 -0.758 2.887 166 2HD2 LEU 21 HD22 LEU 21 3.436 -0.855 3.183 167 3HD2 LEU 21 HD23 LEU 21 4.496 -0.123 4.386 168 H ALA 22 HN ALA 22 3.479 4.263 4.328 169 HA ALA 22 HA ALA 22 0.962 3.997 3.029 170 1HB ALA 22 HB1 ALA 22 1.409 4.241 5.543 171 2HB ALA 22 HB2 ALA 22 0.049 5.156 4.891 172 3HB ALA 22 HB3 ALA 22 1.576 5.969 5.230 173 H GLY 23 HN GLY 23 3.191 6.747 3.207 174 1HA GLY 23 HA2 GLY 23 1.397 8.585 1.945 175 2HA GLY 23 HA1 GLY 23 3.158 8.736 2.142 176 H GLU 24 HN GLU 24 4.042 6.555 0.587 177 HA GLU 24 HA GLU 24 3.714 7.622 -2.008 178 1HB GLU 24 HB2 GLU 24 5.724 6.319 -1.366 179 2HB GLU 24 HB1 GLU 24 4.737 4.869 -1.188 180 1HG GLU 24 HG2 GLU 24 4.120 4.995 -3.586 181 2HG GLU 24 HG1 GLU 24 5.109 6.444 -3.760 182 H LEU 25 HN LEU 25 2.217 4.878 -0.377 183 HA LEU 25 HA LEU 25 0.841 3.907 -2.642 184 1HB LEU 25 HB2 LEU 25 0.618 3.490 0.299 185 2HB LEU 25 HB1 LEU 25 -0.735 2.981 -0.701 186 HG LEU 25 HG LEU 25 1.137 1.255 -0.177 187 1HD1 LEU 25 HD11 LEU 25 -0.688 0.951 -1.850 188 2HD1 LEU 25 HD12 LEU 25 0.812 0.140 -2.299 189 3HD1 LEU 25 HD13 LEU 25 0.363 1.654 -3.080 190 1HD2 LEU 25 HD21 LEU 25 2.538 2.380 -2.596 191 2HD2 LEU 25 HD22 LEU 25 3.142 1.304 -1.350 192 3HD2 LEU 25 HD23 LEU 25 2.926 3.014 -0.996 193 H SER 26 HN SER 26 -0.175 6.239 -0.174 194 HA SER 26 HA SER 26 -2.854 6.472 -1.007 195 1HB SER 26 HB2 SER 26 -2.802 8.662 0.124 196 2HB SER 26 HB1 SER 26 -2.031 7.415 1.099 197 HG SER 26 HG SER 26 -0.438 8.805 1.101 198 H ARG 27 HN ARG 27 0.022 8.370 -2.014 199 HA ARG 27 HA ARG 27 -1.376 10.101 -3.765 200 1HB ARG 27 HB2 ARG 27 1.485 9.115 -3.794 201 2HB ARG 27 HB1 ARG 27 0.867 10.353 -4.889 202 1HG ARG 27 HG2 ARG 27 0.206 11.737 -2.951 203 2HG ARG 27 HG1 ARG 27 0.838 10.502 -1.860 204 1HD ARG 27 HD2 ARG 27 3.080 10.770 -2.953 205 2HD ARG 27 HD1 ARG 27 2.418 12.109 -3.885 206 HE ARG 27 HE ARG 27 2.484 13.429 -1.961 207 1HH1 ARG 27 HH21 ARG 27 4.081 10.505 -1.446 208 2HH1 ARG 27 HH22 ARG 27 4.089 10.604 0.283 209 1HH2 ARG 27 HH11 ARG 27 2.023 13.387 0.396 210 2HH2 ARG 27 HH12 ARG 27 2.922 12.236 1.327 211 H ARG 28 HN ARG 28 0.052 6.898 -4.307 212 HA ARG 28 HA ARG 28 -0.386 6.847 -7.089 213 1HB ARG 28 HB2 ARG 28 1.131 5.302 -5.986 214 2HB ARG 28 HB1 ARG 28 -0.215 4.560 -5.126 215 1HG ARG 28 HG2 ARG 28 0.446 3.226 -7.074 216 2HG ARG 28 HG1 ARG 28 -1.194 3.830 -7.268 217 1HD ARG 28 HD2 ARG 28 -0.481 5.481 -8.841 218 2HD ARG 28 HD1 ARG 28 1.217 5.251 -8.422 219 HE ARG 28 HE ARG 28 -0.366 3.646 -10.231 220 1HH1 ARG 28 HH11 ARG 28 2.127 3.420 -7.858 221 2HH1 ARG 28 HH12 ARG 28 3.077 2.286 -8.760 222 1HH2 ARG 28 HH21 ARG 28 0.974 2.304 -11.513 223 2HH2 ARG 28 HH22 ARG 28 2.425 1.654 -10.826 224 H ILE 29 HN ILE 29 -2.387 5.854 -4.370 225 HA ILE 29 HA ILE 29 -4.474 4.640 -5.860 226 HB ILE 29 HB ILE 29 -4.398 5.856 -3.101 227 1HG1 ILE 29 HG12 ILE 29 -3.092 3.786 -3.428 228 2HG1 ILE 29 HG11 ILE 29 -4.468 3.501 -2.376 229 1HG2 ILE 29 HG21 ILE 29 -6.586 4.507 -2.822 230 2HG2 ILE 29 HG22 ILE 29 -6.685 4.565 -4.582 231 3HG2 ILE 29 HG23 ILE 29 -6.680 6.061 -3.650 232 1HD1 ILE 29 HD11 ILE 29 -5.608 2.839 -4.735 233 2HD1 ILE 29 HD12 ILE 29 -4.701 1.683 -3.772 234 3HD1 ILE 29 HD13 ILE 29 -3.928 2.490 -5.130 235 H GLN 30 HN GLN 30 -4.092 7.929 -4.622 236 HA GLN 30 HA GLN 30 -6.618 8.916 -5.527 237 1HB GLN 30 HB2 GLN 30 -5.126 10.081 -3.870 238 2HB GLN 30 HB1 GLN 30 -4.032 10.462 -5.198 239 1HG GLN 30 HG2 GLN 30 -5.845 11.680 -6.349 240 2HG GLN 30 HG1 GLN 30 -6.945 11.305 -5.022 241 1HE2 GLN 30 HE21 GLN 30 -7.215 13.532 -4.377 242 2HE2 GLN 30 HE22 GLN 30 -5.954 14.417 -3.665 243 H TYR 31 HN TYR 31 -3.452 8.772 -7.195 244 HA TYR 31 HA TYR 31 -4.382 10.182 -9.467 245 1HB TYR 31 HB2 TYR 31 -1.975 9.842 -9.042 246 2HB TYR 31 HB1 TYR 31 -2.181 8.104 -9.268 247 HD1 TYR 31 HD1 TYR 31 -2.443 11.408 -10.973 248 HD2 TYR 31 HD2 TYR 31 -2.317 7.139 -11.445 249 HE1 TYR 31 HE1 TYR 31 -2.217 11.685 -13.430 250 HE2 TYR 31 HE2 TYR 31 -2.089 7.416 -13.898 251 HH TYR 31 HH TYR 31 -2.626 10.400 -15.472 252 H ALA 32 HN ALA 32 -4.375 6.765 -8.588 253 HA ALA 32 HA ALA 32 -5.313 5.826 -11.100 254 1HB ALA 32 HB1 ALA 32 -5.333 4.595 -8.346 255 2HB ALA 32 HB2 ALA 32 -4.155 4.331 -9.630 256 3HB ALA 32 HB3 ALA 32 -5.804 3.736 -9.812 257 H PHE 33 HN PHE 33 -6.885 6.856 -8.133 258 HA PHE 33 HA PHE 33 -9.561 6.481 -9.389 259 1HB PHE 33 HB2 PHE 33 -8.757 6.284 -6.483 260 2HB PHE 33 HB1 PHE 33 -10.414 6.219 -7.083 261 HD1 PHE 33 HD1 PHE 33 -7.182 4.467 -6.933 262 HD2 PHE 33 HD2 PHE 33 -11.228 4.296 -8.363 263 HE1 PHE 33 HE1 PHE 33 -6.905 2.053 -7.423 264 HE2 PHE 33 HE2 PHE 33 -10.953 1.880 -8.847 265 HZ PHE 33 HZ PHE 33 -8.790 0.758 -8.380 266 HA PRO 34 HA PRO 34 -9.011 10.987 -8.576 267 1HB PRO 34 HB2 PRO 34 -10.590 11.533 -10.946 268 2HB PRO 34 HB1 PRO 34 -8.872 11.850 -10.663 269 1HG PRO 34 HG2 PRO 34 -9.900 9.949 -12.414 270 2HG PRO 34 HG1 PRO 34 -8.241 9.998 -11.799 271 1HD PRO 34 HD2 PRO 34 -10.496 8.229 -10.980 272 2HD PRO 34 HD1 PRO 34 -8.742 7.937 -10.924 273 H ASP 35 HN ASP 35 -11.843 9.106 -9.354 274 HA ASP 35 HA ASP 35 -13.725 11.129 -8.416 275 1HB ASP 35 HB2 ASP 35 -14.075 8.428 -9.702 276 2HB ASP 35 HB1 ASP 35 -15.421 9.431 -9.160 277 H ASN 36 HN ASN 36 -12.071 8.499 -6.876 278 HA ASN 36 HA ASN 36 -14.284 8.294 -4.896 279 1HB ASN 36 HB2 ASN 36 -12.376 6.176 -5.838 280 2HB ASN 36 HB1 ASN 36 -13.467 5.989 -4.470 281 1HD2 ASN 36 HD21 ASN 36 -15.851 7.005 -5.264 282 2HD2 ASN 36 HD22 ASN 36 -16.403 6.270 -6.691 283 H GLU 37 HN GLU 37 -13.648 8.844 -2.704 284 HA GLU 37 HA GLU 37 -11.081 9.735 -2.032 285 1HB GLU 37 HB2 GLU 37 -13.285 8.573 -0.325 286 2HB GLU 37 HB1 GLU 37 -11.936 9.541 0.251 287 1HG GLU 37 HG2 GLU 37 -12.742 11.469 -1.106 288 2HG GLU 37 HG1 GLU 37 -14.090 10.482 -1.682 289 H GLY 38 HN GLY 38 -9.275 8.484 -1.682 290 1HA GLY 38 HA2 GLY 38 -9.609 5.592 -0.979 291 2HA GLY 38 HA1 GLY 38 -8.268 6.123 -1.747 292 H HIS 39 HN HIS 39 -9.020 5.059 1.256 293 HA HIS 39 HA HIS 39 -7.113 6.913 2.545 294 1HB HIS 39 HB2 HIS 39 -9.392 5.288 3.701 295 2HB HIS 39 HB1 HIS 39 -8.153 6.053 4.697 296 HD1 HIS 39 HD1 HIS 39 -7.858 8.760 4.140 297 HD2 HIS 39 HD2 HIS 39 -11.500 6.986 3.159 298 HE1 HIS 39 HE1 HIS 39 -9.528 10.646 3.891 299 H VAL 40 HN VAL 40 -5.160 5.924 3.003 300 HA VAL 40 HA VAL 40 -5.045 2.981 2.993 301 HB VAL 40 HB VAL 40 -2.870 4.987 2.389 302 1HG1 VAL 40 HG11 VAL 40 -3.082 1.978 2.202 303 2HG1 VAL 40 HG12 VAL 40 -1.928 2.921 3.144 304 3HG1 VAL 40 HG13 VAL 40 -1.827 2.905 1.385 305 1HG2 VAL 40 HG21 VAL 40 -4.754 5.017 0.731 306 2HG2 VAL 40 HG22 VAL 40 -4.530 3.284 0.498 307 3HG2 VAL 40 HG23 VAL 40 -3.250 4.403 0.040 308 H SER 41 HN SER 41 -4.379 1.979 4.762 309 HA SER 41 HA SER 41 -2.895 3.509 6.824 310 1HB SER 41 HB2 SER 41 -5.184 3.168 7.646 311 2HB SER 41 HB1 SER 41 -5.063 1.441 7.319 312 HG SER 41 HG SER 41 -3.449 1.304 8.872 313 H VAL 42 HN VAL 42 -1.192 2.538 7.784 314 HA VAL 42 HA VAL 42 -0.601 -0.255 7.014 315 HB VAL 42 HB VAL 42 1.436 1.998 7.059 316 1HG1 VAL 42 HG11 VAL 42 1.629 -0.851 6.042 317 2HG1 VAL 42 HG12 VAL 42 2.302 -0.272 7.568 318 3HG1 VAL 42 HG13 VAL 42 2.921 0.350 6.038 319 1HG2 VAL 42 HG21 VAL 42 -0.096 2.325 5.184 320 2HG2 VAL 42 HG22 VAL 42 0.071 0.636 4.717 321 3HG2 VAL 42 HG23 VAL 42 1.447 1.726 4.576 322 H ARG 43 HN ARG 43 -0.072 -1.518 8.661 323 HA ARG 43 HA ARG 43 1.132 -0.356 11.060 324 1HB ARG 43 HB2 ARG 43 -1.251 -0.065 11.459 325 2HB ARG 43 HB1 ARG 43 -1.549 -1.762 11.094 326 1HG ARG 43 HG2 ARG 43 -0.297 -2.473 13.030 327 2HG ARG 43 HG1 ARG 43 0.260 -0.827 13.339 328 1HD ARG 43 HD2 ARG 43 -2.638 -1.713 13.384 329 2HD ARG 43 HD1 ARG 43 -1.634 -1.513 14.817 330 HE ARG 43 HE ARG 43 -2.738 0.618 13.150 331 1HH1 ARG 43 HH21 ARG 43 0.124 1.322 13.713 332 2HH1 ARG 43 HH22 ARG 43 0.009 2.178 15.214 333 1HH2 ARG 43 HH11 ARG 43 -3.177 1.016 15.937 334 2HH2 ARG 43 HH12 ARG 43 -1.861 2.005 16.474 335 H TYR 44 HN TYR 44 1.858 -1.956 12.610 336 HA TYR 44 HA TYR 44 2.832 -4.404 11.340 337 1HB TYR 44 HB2 TYR 44 3.205 -3.158 14.077 338 2HB TYR 44 HB1 TYR 44 3.783 -4.768 13.703 339 HD1 TYR 44 HD1 TYR 44 5.159 -4.893 11.370 340 HD2 TYR 44 HD2 TYR 44 4.754 -1.422 13.876 341 HE1 TYR 44 HE1 TYR 44 7.251 -3.959 10.422 342 HE2 TYR 44 HE2 TYR 44 6.849 -0.498 12.934 343 HH TYR 44 HH TYR 44 8.194 -0.731 10.860 344 H ALA 45 HN ALA 45 2.155 -6.422 11.652 345 HA ALA 45 HA ALA 45 0.135 -6.986 13.709 346 1HB ALA 45 HB1 ALA 45 -1.408 -7.943 12.203 347 2HB ALA 45 HB2 ALA 45 -0.241 -7.970 10.882 348 3HB ALA 45 HB3 ALA 45 -0.934 -6.438 11.415 349 H ALA 46 HN ALA 46 -0.177 -9.445 13.860 350 HA ALA 46 HA ALA 46 2.354 -10.657 14.167 351 1HB ALA 46 HB1 ALA 46 -0.254 -12.166 13.897 352 2HB ALA 46 HB2 ALA 46 0.201 -11.306 15.369 353 3HB ALA 46 HB3 ALA 46 1.187 -12.650 14.791 354 H ALA 47 HN ALA 47 0.214 -10.530 11.410 355 HA ALA 47 HA ALA 47 2.232 -12.076 9.889 356 1HB ALA 47 HB1 ALA 47 -0.750 -12.572 9.822 357 2HB ALA 47 HB2 ALA 47 0.479 -13.662 10.465 358 3HB ALA 47 HB3 ALA 47 0.430 -13.310 8.738 359 H ASN 48 HN ASN 48 2.288 -11.761 7.648 360 HA ASN 48 HA ASN 48 1.650 -9.074 6.804 361 1HB ASN 48 HB2 ASN 48 2.721 -11.490 5.314 362 2HB ASN 48 HB1 ASN 48 2.536 -9.889 4.599 363 1HD2 ASN 48 HD21 ASN 48 4.864 -11.817 5.923 364 2HD2 ASN 48 HD22 ASN 48 5.878 -10.630 6.589 365 H ASN 49 HN ASN 49 -0.267 -8.453 5.954 366 HA ASN 49 HA ASN 49 -1.877 -10.296 4.357 367 1HB ASN 49 HB2 ASN 49 -2.811 -9.132 6.979 368 2HB ASN 49 HB1 ASN 49 -3.926 -9.669 5.727 369 1HD2 ASN 49 HD21 ASN 49 -3.488 -10.863 8.442 370 2HD2 ASN 49 HD22 ASN 49 -3.034 -12.473 8.159 371 H LEU 50 HN LEU 50 -3.376 -9.216 3.023 372 HA LEU 50 HA LEU 50 -3.267 -6.252 3.019 373 1HB LEU 50 HB2 LEU 50 -1.876 -7.235 1.184 374 2HB LEU 50 HB1 LEU 50 -3.292 -8.115 0.620 375 HG LEU 50 HG LEU 50 -4.475 -5.951 0.262 376 1HD1 LEU 50 HD11 LEU 50 -1.905 -4.864 1.368 377 2HD1 LEU 50 HD12 LEU 50 -3.570 -4.390 1.711 378 3HD1 LEU 50 HD13 LEU 50 -2.818 -3.915 0.192 379 1HD2 LEU 50 HD21 LEU 50 -1.778 -5.949 -1.133 380 2HD2 LEU 50 HD22 LEU 50 -3.312 -5.352 -1.764 381 3HD2 LEU 50 HD23 LEU 50 -3.069 -7.082 -1.539 382 H SER 51 HN SER 51 -5.349 -5.462 3.306 383 HA SER 51 HA SER 51 -7.614 -7.189 2.447 384 1HB SER 51 HB2 SER 51 -8.752 -6.719 4.403 385 2HB SER 51 HB1 SER 51 -7.096 -6.722 5.006 386 HG SER 51 HG SER 51 -7.330 -4.337 4.243 387 H VAL 52 HN VAL 52 -9.009 -6.219 1.040 388 HA VAL 52 HA VAL 52 -8.961 -3.278 0.800 389 HB VAL 52 HB VAL 52 -9.312 -5.308 -1.429 390 1HG1 VAL 52 HG11 VAL 52 -10.662 -3.383 -1.913 391 2HG1 VAL 52 HG12 VAL 52 -9.180 -3.210 -2.854 392 3HG1 VAL 52 HG13 VAL 52 -9.396 -2.283 -1.370 393 1HG2 VAL 52 HG21 VAL 52 -7.180 -4.238 -2.262 394 2HG2 VAL 52 HG22 VAL 52 -6.987 -5.179 -0.782 395 3HG2 VAL 52 HG23 VAL 52 -7.056 -3.418 -0.706 396 H ILE 53 HN ILE 53 -10.925 -2.375 1.217 397 HA ILE 53 HA ILE 53 -13.344 -4.089 0.976 398 HB ILE 53 HB ILE 53 -12.827 -1.836 2.948 399 1HG1 ILE 53 HG12 ILE 53 -13.196 -3.942 4.560 400 2HG1 ILE 53 HG11 ILE 53 -12.598 -4.844 3.173 401 1HG2 ILE 53 HG21 ILE 53 -15.170 -3.704 2.501 402 2HG2 ILE 53 HG22 ILE 53 -15.162 -1.945 2.369 403 3HG2 ILE 53 HG23 ILE 53 -14.977 -2.711 3.945 404 1HD1 ILE 53 HD11 ILE 53 -11.148 -2.484 4.410 405 2HD1 ILE 53 HD12 ILE 53 -10.529 -3.570 3.168 406 3HD1 ILE 53 HD13 ILE 53 -10.809 -4.168 4.800 407 H GLY 54 HN GLY 54 -14.927 -3.361 -0.311 408 1HA GLY 54 HA2 GLY 54 -16.357 -1.737 -1.266 409 2HA GLY 54 HA1 GLY 54 -15.190 -0.491 -0.826 410 H ALA 55 HN ALA 55 -13.854 -3.260 -2.408 411 HA ALA 55 HA ALA 55 -13.777 -1.753 -4.970 412 1HB ALA 55 HB1 ALA 55 -11.629 -1.869 -3.482 413 2HB ALA 55 HB2 ALA 55 -11.496 -2.160 -5.216 414 3HB ALA 55 HB3 ALA 55 -11.509 -3.519 -4.092 415 H THR 56 HN THR 56 -13.287 -3.011 -6.848 416 HA THR 56 HA THR 56 -14.751 -5.581 -7.065 417 HB THR 56 HB THR 56 -14.597 -5.151 -9.402 418 HG1 THR 56 HG1 THR 56 -13.105 -2.826 -8.809 419 1HG2 THR 56 HG21 THR 56 -15.743 -2.971 -9.559 420 2HG2 THR 56 HG22 THR 56 -15.220 -2.581 -7.920 421 3HG2 THR 56 HG23 THR 56 -16.344 -3.911 -8.195 422 H LYS 57 HN LYS 57 -13.853 -7.312 -8.134 423 HA LYS 57 HA LYS 57 -11.380 -8.155 -7.201 424 1HB LYS 57 HB2 LYS 57 -13.105 -9.730 -7.981 425 2HB LYS 57 HB1 LYS 57 -12.908 -9.160 -9.635 426 1HG LYS 57 HG2 LYS 57 -10.541 -9.965 -9.602 427 2HG LYS 57 HG1 LYS 57 -10.796 -10.603 -7.979 428 1HD LYS 57 HD2 LYS 57 -12.617 -11.402 -10.250 429 2HD LYS 57 HD1 LYS 57 -11.072 -12.211 -10.010 430 1HE LYS 57 HE2 LYS 57 -13.326 -12.019 -7.986 431 2HE LYS 57 HE1 LYS 57 -12.821 -13.461 -8.861 432 1HZ LYS 57 HZ1 LYS 57 -11.292 -11.956 -6.820 433 2HZ LYS 57 HZ2 LYS 57 -10.584 -13.131 -7.824 434 3HZ LYS 57 HZ3 LYS 57 -11.823 -13.566 -6.745 435 H GLU 58 HN GLU 58 -12.114 -6.651 -10.398 436 HA GLU 58 HA GLU 58 -9.486 -7.030 -11.429 437 1HB GLU 58 HB2 GLU 58 -11.456 -6.527 -12.846 438 2HB GLU 58 HB1 GLU 58 -11.565 -4.930 -12.108 439 1HG GLU 58 HG2 GLU 58 -9.297 -4.392 -12.938 440 2HG GLU 58 HG1 GLU 58 -9.191 -5.991 -13.671 441 H ASP 59 HN ASP 59 -11.016 -4.477 -9.494 442 HA ASP 59 HA ASP 59 -8.897 -2.615 -9.680 443 1HB ASP 59 HB2 ASP 59 -11.017 -3.045 -7.568 444 2HB ASP 59 HB1 ASP 59 -9.862 -1.713 -7.522 445 H LYS 60 HN LYS 60 -9.697 -5.183 -7.410 446 HA LYS 60 HA LYS 60 -7.506 -4.767 -5.653 447 1HB LYS 60 HB2 LYS 60 -9.475 -6.106 -4.986 448 2HB LYS 60 HB1 LYS 60 -9.057 -7.321 -6.191 449 1HG LYS 60 HG2 LYS 60 -6.907 -7.733 -5.034 450 2HG LYS 60 HG1 LYS 60 -7.327 -6.515 -3.829 451 1HD LYS 60 HD2 LYS 60 -9.203 -7.816 -3.061 452 2HD LYS 60 HD1 LYS 60 -9.035 -8.947 -4.405 453 1HE LYS 60 HE2 LYS 60 -8.074 -9.931 -2.382 454 2HE LYS 60 HE1 LYS 60 -6.791 -9.596 -3.545 455 1HZ LYS 60 HZ1 LYS 60 -6.864 -8.749 -0.959 456 2HZ LYS 60 HZ2 LYS 60 -7.336 -7.369 -1.830 457 3HZ LYS 60 HZ3 LYS 60 -5.858 -8.131 -2.176 458 H GLN 61 HN GLN 61 -7.720 -6.767 -8.615 459 HA GLN 61 HA GLN 61 -5.145 -7.925 -8.209 460 1HB GLN 61 HB2 GLN 61 -6.764 -7.403 -10.719 461 2HB GLN 61 HB1 GLN 61 -5.221 -8.263 -10.719 462 1HG GLN 61 HG2 GLN 61 -6.099 -9.994 -9.299 463 2HG GLN 61 HG1 GLN 61 -7.577 -9.081 -9.003 464 1HE2 GLN 61 HE21 GLN 61 -7.908 -11.640 -10.005 465 2HE2 GLN 61 HE22 GLN 61 -8.367 -11.582 -11.638 466 H ARG 62 HN ARG 62 -6.305 -4.956 -9.842 467 HA ARG 62 HA ARG 62 -3.797 -4.180 -10.820 468 1HB ARG 62 HB2 ARG 62 -5.895 -3.111 -11.569 469 2HB ARG 62 HB1 ARG 62 -6.127 -2.427 -9.961 470 1HG ARG 62 HG2 ARG 62 -4.123 -1.076 -10.179 471 2HG ARG 62 HG1 ARG 62 -3.706 -1.856 -11.706 472 1HD ARG 62 HD2 ARG 62 -4.746 0.313 -12.141 473 2HD ARG 62 HD1 ARG 62 -5.796 -0.983 -12.708 474 HE ARG 62 HE ARG 62 -6.525 -0.352 -10.063 475 1HH1 ARG 62 HH11 ARG 62 -7.605 -0.022 -13.177 476 2HH1 ARG 62 HH12 ARG 62 -8.494 1.446 -12.936 477 1HH2 ARG 62 HH21 ARG 62 -7.203 2.018 -9.768 478 2HH2 ARG 62 HH22 ARG 62 -8.265 2.601 -11.006 479 H ILE 63 HN ILE 63 -5.404 -3.511 -7.745 480 HA ILE 63 HA ILE 63 -3.358 -1.868 -6.721 481 HB ILE 63 HB ILE 63 -5.369 -3.577 -5.286 482 1HG1 ILE 63 HG12 ILE 63 -5.226 -0.566 -5.489 483 2HG1 ILE 63 HG11 ILE 63 -6.102 -1.547 -6.663 484 1HG2 ILE 63 HG21 ILE 63 -4.766 -2.109 -3.295 485 2HG2 ILE 63 HG22 ILE 63 -3.334 -1.624 -4.203 486 3HG2 ILE 63 HG23 ILE 63 -3.555 -3.310 -3.738 487 1HD1 ILE 63 HD11 ILE 63 -7.591 -2.390 -4.985 488 2HD1 ILE 63 HD12 ILE 63 -7.500 -0.647 -4.732 489 3HD1 ILE 63 HD13 ILE 63 -6.597 -1.739 -3.683 490 H SER 64 HN SER 64 -3.757 -5.363 -6.559 491 HA SER 64 HA SER 64 -1.472 -5.848 -4.942 492 1HB SER 64 HB2 SER 64 -3.167 -7.598 -5.528 493 2HB SER 64 HB1 SER 64 -2.551 -7.596 -7.177 494 HG SER 64 HG SER 64 -0.447 -7.834 -5.682 495 H GLU 65 HN GLU 65 -1.888 -5.489 -8.520 496 HA GLU 65 HA GLU 65 0.807 -5.977 -9.148 497 1HB GLU 65 HB2 GLU 65 -1.303 -4.338 -10.582 498 2HB GLU 65 HB1 GLU 65 0.295 -4.675 -11.253 499 1HG GLU 65 HG2 GLU 65 -0.130 -7.097 -11.068 500 2HG GLU 65 HG1 GLU 65 -1.723 -6.767 -10.397 501 H ILE 66 HN ILE 66 -0.895 -2.989 -8.310 502 HA ILE 66 HA ILE 66 1.236 -1.206 -8.711 503 HB ILE 66 HB ILE 66 -1.143 -1.148 -6.851 504 1HG1 ILE 66 HG12 ILE 66 -0.457 0.417 -9.360 505 2HG1 ILE 66 HG11 ILE 66 -1.492 -1.008 -9.325 506 1HG2 ILE 66 HG21 ILE 66 -0.621 1.302 -6.586 507 2HG2 ILE 66 HG22 ILE 66 0.960 0.987 -7.305 508 3HG2 ILE 66 HG23 ILE 66 0.519 0.243 -5.769 509 1HD1 ILE 66 HD11 ILE 66 -2.015 1.559 -7.791 510 2HD1 ILE 66 HD12 ILE 66 -3.064 0.145 -7.830 511 3HD1 ILE 66 HD13 ILE 66 -2.815 1.094 -9.292 512 H LEU 67 HN LEU 67 0.250 -2.972 -5.811 513 HA LEU 67 HA LEU 67 2.244 -1.958 -4.101 514 1HB LEU 67 HB2 LEU 67 0.395 -3.145 -3.119 515 2HB LEU 67 HB1 LEU 67 0.702 -4.567 -4.107 516 HG LEU 67 HG LEU 67 2.893 -4.874 -2.904 517 1HD1 LEU 67 HD11 LEU 67 1.874 -2.436 -1.438 518 2HD1 LEU 67 HD12 LEU 67 3.503 -2.770 -2.032 519 3HD1 LEU 67 HD13 LEU 67 2.901 -3.603 -0.604 520 1HD2 LEU 67 HD21 LEU 67 0.313 -4.803 -1.320 521 2HD2 LEU 67 HD22 LEU 67 1.793 -5.547 -0.714 522 3HD2 LEU 67 HD23 LEU 67 1.020 -6.178 -2.169 523 H GLN 68 HN GLN 68 2.234 -4.688 -6.339 524 HA GLN 68 HA GLN 68 4.808 -5.648 -5.594 525 1HB GLN 68 HB2 GLN 68 3.167 -5.956 -8.107 526 2HB GLN 68 HB1 GLN 68 4.765 -6.682 -7.925 527 1HG GLN 68 HG2 GLN 68 4.037 -7.942 -5.988 528 2HG GLN 68 HG1 GLN 68 2.482 -7.114 -5.979 529 1HE2 GLN 68 HE21 GLN 68 2.925 -7.409 -9.175 530 2HE2 GLN 68 HE22 GLN 68 2.263 -8.948 -9.447 531 H GLU 69 HN GLU 69 3.856 -3.485 -8.326 532 HA GLU 69 HA GLU 69 6.462 -3.075 -9.238 533 1HB GLU 69 HB2 GLU 69 4.007 -1.324 -9.394 534 2HB GLU 69 HB1 GLU 69 5.512 -0.971 -10.243 535 1HG GLU 69 HG2 GLU 69 5.393 -3.157 -11.379 536 2HG GLU 69 HG1 GLU 69 3.888 -3.516 -10.534 537 H THR 70 HN THR 70 4.642 -1.152 -6.836 538 HA THR 70 HA THR 70 6.584 0.847 -6.486 539 HB THR 70 HB THR 70 4.661 -0.272 -4.480 540 HG1 THR 70 HG1 THR 70 4.235 1.000 -6.704 541 1HG2 THR 70 HG21 THR 70 4.896 2.126 -3.566 542 2HG2 THR 70 HG22 THR 70 6.374 2.200 -4.526 543 3HG2 THR 70 HG23 THR 70 6.214 1.001 -3.242 544 H TRP 71 HN TRP 71 6.021 -2.164 -4.821 545 HA TRP 71 HA TRP 71 8.082 -2.071 -2.990 546 1HB TRP 71 HB2 TRP 71 6.121 -3.551 -2.956 547 2HB TRP 71 HB1 TRP 71 6.787 -4.431 -4.317 548 HD1 TRP 71 HD1 TRP 71 7.483 -6.677 -3.424 549 HE1 TRP 71 HE1 TRP 71 8.873 -7.554 -1.447 550 HE3 TRP 71 HE3 TRP 71 8.291 -2.303 -0.832 551 HZ2 TRP 71 HZ2 TRP 71 10.130 -6.573 0.908 552 HZ3 TRP 71 HZ3 TRP 71 9.573 -2.334 1.271 553 HH2 TRP 71 HH2 TRP 71 10.487 -4.458 2.153 554 H GLU 72 HN GLU 72 8.068 -3.246 -6.298 555 HA GLU 72 HA GLU 72 10.770 -4.185 -6.204 556 1HB GLU 72 HB2 GLU 72 8.900 -3.681 -8.525 557 2HB GLU 72 HB1 GLU 72 10.539 -4.300 -8.728 558 1HG GLU 72 HG2 GLU 72 10.006 -6.207 -7.260 559 2HG GLU 72 HG1 GLU 72 8.366 -5.592 -7.056 560 H SER 73 HN SER 73 9.458 -1.011 -6.620 561 HA SER 73 HA SER 73 12.013 -0.110 -7.836 562 1HB SER 73 HB2 SER 73 10.854 1.902 -8.495 563 2HB SER 73 HB1 SER 73 9.873 0.524 -8.986 564 HG SER 73 HG SER 73 9.468 2.408 -6.962 565 H ALA 74 HN ALA 74 11.384 -0.792 -4.928 566 HA ALA 74 HA ALA 74 11.170 1.323 -3.282 567 1HB ALA 74 HB1 ALA 74 12.888 -1.121 -2.968 568 2HB ALA 74 HB2 ALA 74 11.190 -0.949 -2.525 569 3HB ALA 74 HB3 ALA 74 12.424 -0.036 -1.657 570 H ASP 75 HN ASP 75 14.190 0.401 -4.917 571 HA ASP 75 HA ASP 75 15.887 2.023 -3.315 572 1HB ASP 75 HB2 ASP 75 16.192 0.931 -6.111 573 2HB ASP 75 HB1 ASP 75 17.461 1.828 -5.280 574 H ASP 76 HN ASP 76 13.678 2.859 -5.864 575 HA ASP 76 HA ASP 76 15.053 5.398 -6.450 576 1HB ASP 76 HB2 ASP 76 12.613 4.047 -7.603 577 2HB ASP 76 HB1 ASP 76 13.147 5.659 -8.075 578 H TRP 77 HN TRP 77 11.886 4.364 -5.109 579 HA TRP 77 HA TRP 77 11.255 7.177 -4.555 580 1HB TRP 77 HB2 TRP 77 9.062 6.518 -4.159 581 2HB TRP 77 HB1 TRP 77 9.606 5.519 -5.487 582 HD1 TRP 77 HD1 TRP 77 9.708 2.900 -5.113 583 HE1 TRP 77 HE1 TRP 77 8.965 1.373 -3.197 584 HE3 TRP 77 HE3 TRP 77 8.945 6.377 -1.331 585 HZ2 TRP 77 HZ2 TRP 77 8.159 1.543 -0.486 586 HZ3 TRP 77 HZ3 TRP 77 8.177 5.607 0.862 587 HH2 TRP 77 HH2 TRP 77 7.784 3.217 1.291 588 H PHE 78 HN PHE 78 12.535 4.523 -2.695 589 HA PHE 78 HA PHE 78 11.658 5.774 -0.164 590 1HB PHE 78 HB2 PHE 78 11.558 3.382 -0.171 591 2HB PHE 78 HB1 PHE 78 13.223 3.262 -0.715 592 HD1 PHE 78 HD1 PHE 78 15.110 3.681 0.788 593 HD2 PHE 78 HD2 PHE 78 11.044 4.141 2.148 594 HE1 PHE 78 HE1 PHE 78 15.903 3.821 3.123 595 HE2 PHE 78 HE2 PHE 78 11.859 4.268 4.481 596 HZ PHE 78 HZ PHE 78 14.278 4.107 4.973 597 H VAL 79 HN VAL 79 12.807 7.147 0.943 598 HA VAL 79 HA VAL 79 15.673 7.508 0.315 599 HB VAL 79 HB VAL 79 15.079 9.969 1.010 600 1HG1 VAL 79 HG11 VAL 79 15.748 9.292 -1.271 601 2HG1 VAL 79 HG12 VAL 79 14.449 10.482 -1.328 602 3HG1 VAL 79 HG13 VAL 79 14.093 8.777 -1.604 603 1HG2 VAL 79 HG21 VAL 79 12.793 10.622 0.651 604 2HG2 VAL 79 HG22 VAL 79 12.747 9.250 1.754 605 3HG2 VAL 79 HG23 VAL 79 12.360 9.021 0.044 606 H SER 80 HN SER 80 17.052 7.936 2.207 607 HA SER 80 HA SER 80 15.680 7.907 4.838 608 1HB SER 80 HB2 SER 80 17.525 6.426 5.645 609 2HB SER 80 HB1 SER 80 16.524 5.641 4.425 610 HG SER 80 HG SER 80 18.310 5.400 3.364 611 H GLU 81 HN GLU 81 16.498 9.241 6.325 612 HA GLU 81 HA GLU 81 18.129 11.409 5.563 613 1HB GLU 81 HB2 GLU 81 17.493 10.395 8.343 614 2HB GLU 81 HB1 GLU 81 18.148 11.987 7.958 615 1HG GLU 81 HG2 GLU 81 16.148 12.482 6.601 616 2HG GLU 81 HG1 GLU 81 15.492 10.893 6.989 Start of MODEL 17 1 1H MET 1 HT1 MET 1 -14.261 3.817 -1.962 2 2H MET 1 HT2 MET 1 -12.992 4.702 -1.260 3 3H MET 1 HT3 MET 1 -14.261 4.118 -0.293 4 HA MET 1 HA MET 1 -13.592 1.850 -0.673 5 1HB MET 1 HB2 MET 1 -11.406 3.108 -2.348 6 2HB MET 1 HB1 MET 1 -11.540 1.394 -1.964 7 1HG MET 1 HG2 MET 1 -13.898 1.566 -3.043 8 2HG MET 1 HG1 MET 1 -13.299 3.066 -3.747 9 1HE MET 1 HE1 MET 1 -10.025 1.887 -5.511 10 2HE MET 1 HE2 MET 1 -10.004 1.868 -3.750 11 3HE MET 1 HE3 MET 1 -10.826 3.177 -4.603 12 H ARG 2 HN ARG 2 -12.241 0.964 0.875 13 HA ARG 2 HA ARG 2 -10.288 2.788 2.167 14 1HB ARG 2 HB2 ARG 2 -12.161 0.786 3.463 15 2HB ARG 2 HB1 ARG 2 -10.788 1.507 4.301 16 1HG ARG 2 HG2 ARG 2 -11.713 3.763 3.852 17 2HG ARG 2 HG1 ARG 2 -13.100 3.023 3.052 18 1HD ARG 2 HD2 ARG 2 -13.689 1.855 5.142 19 2HD ARG 2 HD1 ARG 2 -12.303 2.586 5.944 20 HE ARG 2 HE ARG 2 -14.009 4.577 4.793 21 1HH1 ARG 2 HH11 ARG 2 -15.939 2.858 6.356 22 2HH1 ARG 2 HH12 ARG 2 -15.888 3.588 7.925 23 1HH2 ARG 2 HH21 ARG 2 -12.956 5.332 7.311 24 2HH2 ARG 2 HH22 ARG 2 -14.200 4.988 8.466 25 H ILE 3 HN ILE 3 -8.279 2.021 2.304 26 HA ILE 3 HA ILE 3 -7.786 -0.830 1.589 27 HB ILE 3 HB ILE 3 -6.081 1.599 1.033 28 1HG1 ILE 3 HG12 ILE 3 -7.501 -0.234 -0.916 29 2HG1 ILE 3 HG11 ILE 3 -8.236 1.254 -0.313 30 1HG2 ILE 3 HG21 ILE 3 -4.876 -0.176 -0.408 31 2HG2 ILE 3 HG22 ILE 3 -5.719 -1.369 0.580 32 3HG2 ILE 3 HG23 ILE 3 -4.601 -0.231 1.332 33 1HD1 ILE 3 HD11 ILE 3 -5.553 1.091 -1.712 34 2HD1 ILE 3 HD12 ILE 3 -6.363 2.566 -1.185 35 3HD1 ILE 3 HD13 ILE 3 -7.059 1.593 -2.482 36 H GLU 4 HN GLU 4 -6.798 -1.981 3.167 37 HA GLU 4 HA GLU 4 -5.132 -0.535 5.175 38 1HB GLU 4 HB2 GLU 4 -6.939 -2.917 5.671 39 2HB GLU 4 HB1 GLU 4 -5.885 -2.164 6.865 40 1HG GLU 4 HG2 GLU 4 -7.099 -0.033 6.590 41 2HG GLU 4 HG1 GLU 4 -8.155 -0.790 5.398 42 H VAL 5 HN VAL 5 -3.133 -1.191 5.391 43 HA VAL 5 HA VAL 5 -2.348 -3.838 4.278 44 HB VAL 5 HB VAL 5 -0.776 -1.254 4.348 45 1HG1 VAL 5 HG11 VAL 5 0.737 -2.648 2.794 46 2HG1 VAL 5 HG12 VAL 5 -0.116 -4.054 3.430 47 3HG1 VAL 5 HG13 VAL 5 0.803 -3.012 4.517 48 1HG2 VAL 5 HG21 VAL 5 -2.621 -1.273 2.693 49 2HG2 VAL 5 HG22 VAL 5 -2.000 -2.785 2.032 50 3HG2 VAL 5 HG23 VAL 5 -1.045 -1.307 1.901 51 H THR 6 HN THR 6 -1.220 -5.198 5.558 52 HA THR 6 HA THR 6 -0.154 -4.147 8.125 53 HB THR 6 HB THR 6 -0.691 -6.454 9.034 54 HG1 THR 6 HG1 THR 6 -2.506 -6.551 6.885 55 1HG2 THR 6 HG21 THR 6 -2.028 -4.500 9.626 56 2HG2 THR 6 HG22 THR 6 -3.100 -5.877 9.361 57 3HG2 THR 6 HG23 THR 6 -2.937 -4.634 8.120 58 H ILE 7 HN ILE 7 1.832 -4.696 8.639 59 HA ILE 7 HA ILE 7 3.352 -6.518 6.857 60 HB ILE 7 HB ILE 7 4.022 -3.952 8.269 61 1HG1 ILE 7 HG12 ILE 7 3.111 -4.200 5.809 62 2HG1 ILE 7 HG11 ILE 7 4.444 -3.098 6.130 63 1HG2 ILE 7 HG21 ILE 7 6.427 -4.500 7.297 64 2HG2 ILE 7 HG22 ILE 7 5.884 -6.175 7.432 65 3HG2 ILE 7 HG23 ILE 7 5.947 -5.150 8.866 66 1HD1 ILE 7 HD11 ILE 7 4.587 -4.822 4.128 67 2HD1 ILE 7 HD12 ILE 7 5.084 -5.940 5.396 68 3HD1 ILE 7 HD13 ILE 7 6.012 -4.470 5.105 69 H ALA 8 HN ALA 8 4.371 -8.233 7.812 70 HA ALA 8 HA ALA 8 3.799 -8.934 10.482 71 1HB ALA 8 HB1 ALA 8 5.864 -9.962 8.528 72 2HB ALA 8 HB2 ALA 8 4.275 -10.652 8.861 73 3HB ALA 8 HB3 ALA 8 5.538 -10.716 10.090 74 H LYS 9 HN LYS 9 4.722 -8.554 12.259 75 HA LYS 9 HA LYS 9 6.644 -6.572 12.627 76 1HB LYS 9 HB2 LYS 9 4.962 -7.142 14.348 77 2HB LYS 9 HB1 LYS 9 5.704 -8.719 14.564 78 1HG LYS 9 HG2 LYS 9 7.780 -7.641 15.374 79 2HG LYS 9 HG1 LYS 9 7.042 -6.050 15.166 80 1HD LYS 9 HD2 LYS 9 5.339 -6.554 16.808 81 2HD LYS 9 HD1 LYS 9 5.888 -8.227 16.928 82 1HE LYS 9 HE2 LYS 9 8.036 -7.493 17.835 83 2HE LYS 9 HE1 LYS 9 7.570 -5.804 17.634 84 1HZ LYS 9 HZ1 LYS 9 6.397 -7.809 19.471 85 2HZ LYS 9 HZ2 LYS 9 5.623 -6.341 19.109 86 3HZ LYS 9 HZ3 LYS 9 7.143 -6.337 19.867 87 H THR 10 HN THR 10 7.038 -9.982 12.153 88 HA THR 10 HA THR 10 9.634 -10.314 13.246 89 HB THR 10 HB THR 10 9.756 -12.217 11.594 90 HG1 THR 10 HG1 THR 10 7.254 -12.331 10.889 91 1HG2 THR 10 HG21 THR 10 8.061 -13.538 12.723 92 2HG2 THR 10 HG22 THR 10 7.186 -12.084 13.197 93 3HG2 THR 10 HG23 THR 10 8.772 -12.423 13.889 94 H SER 11 HN SER 11 8.484 -8.455 10.668 95 HA SER 11 HA SER 11 11.196 -8.261 9.460 96 1HB SER 11 HB2 SER 11 8.513 -7.863 8.116 97 2HB SER 11 HB1 SER 11 10.090 -7.672 7.355 98 HG SER 11 HG SER 11 8.993 -9.773 7.103 99 HA PRO 12 HA PRO 12 10.025 -4.076 11.146 100 1HB PRO 12 HB2 PRO 12 12.691 -3.838 12.226 101 2HB PRO 12 HB1 PRO 12 11.182 -4.036 13.136 102 1HG PRO 12 HG2 PRO 12 13.213 -5.922 12.992 103 2HG PRO 12 HG1 PRO 12 11.539 -6.257 13.459 104 1HD PRO 12 HD2 PRO 12 12.900 -6.758 10.836 105 2HD PRO 12 HD1 PRO 12 11.618 -7.681 11.642 106 H LEU 13 HN LEU 13 10.101 -2.307 10.120 107 HA LEU 13 HA LEU 13 12.219 -1.975 8.081 108 1HB LEU 13 HB2 LEU 13 9.610 -0.452 8.271 109 2HB LEU 13 HB1 LEU 13 10.705 -0.555 6.895 110 HG LEU 13 HG LEU 13 8.973 -2.769 8.024 111 1HD1 LEU 13 HD11 LEU 13 7.942 -2.757 5.819 112 2HD1 LEU 13 HD12 LEU 13 9.096 -1.558 5.242 113 3HD1 LEU 13 HD13 LEU 13 7.904 -1.118 6.466 114 1HD2 LEU 13 HD21 LEU 13 9.995 -4.035 5.977 115 2HD2 LEU 13 HD22 LEU 13 10.944 -3.930 7.455 116 3HD2 LEU 13 HD23 LEU 13 11.302 -2.859 6.103 117 HA PRO 14 HA PRO 14 14.120 1.105 10.537 118 1HB PRO 14 HB2 PRO 14 14.253 3.212 8.530 119 2HB PRO 14 HB1 PRO 14 15.557 2.142 9.071 120 1HG PRO 14 HG2 PRO 14 13.904 1.972 6.659 121 2HG PRO 14 HG1 PRO 14 15.439 1.169 7.023 122 1HD PRO 14 HD2 PRO 14 13.000 -0.136 6.900 123 2HD PRO 14 HD1 PRO 14 14.396 -0.731 7.823 124 H ALA 15 HN ALA 15 13.710 2.824 11.762 125 HA ALA 15 HA ALA 15 11.105 3.437 12.466 126 1HB ALA 15 HB1 ALA 15 12.954 3.695 13.978 127 2HB ALA 15 HB2 ALA 15 12.119 5.242 13.824 128 3HB ALA 15 HB3 ALA 15 13.644 4.973 12.978 129 H GLY 16 HN GLY 16 10.966 3.976 9.741 130 1HA GLY 16 HA2 GLY 16 9.855 6.606 9.691 131 2HA GLY 16 HA1 GLY 16 11.398 6.600 8.890 132 H ALA 17 HN ALA 17 10.815 3.661 8.268 133 HA ALA 17 HA ALA 17 9.961 4.144 5.594 134 1HB ALA 17 HB1 ALA 17 11.524 2.432 5.710 135 2HB ALA 17 HB2 ALA 17 10.026 1.506 5.599 136 3HB ALA 17 HB3 ALA 17 10.804 1.749 7.166 137 H ILE 18 HN ILE 18 8.155 2.703 8.277 138 HA ILE 18 HA ILE 18 6.040 1.784 6.670 139 HB ILE 18 HB ILE 18 6.108 2.746 9.533 140 1HG1 ILE 18 HG12 ILE 18 7.297 0.573 8.651 141 2HG1 ILE 18 HG11 ILE 18 6.336 0.493 10.120 142 1HG2 ILE 18 HG21 ILE 18 3.812 1.687 7.892 143 2HG2 ILE 18 HG22 ILE 18 3.842 3.059 9.000 144 3HG2 ILE 18 HG23 ILE 18 3.874 1.413 9.633 145 1HD1 ILE 18 HD11 ILE 18 4.633 -0.710 9.112 146 2HD1 ILE 18 HD12 ILE 18 6.018 -1.306 8.199 147 3HD1 ILE 18 HD13 ILE 18 4.975 -0.068 7.507 148 H ASP 19 HN ASP 19 6.483 4.891 8.355 149 HA ASP 19 HA ASP 19 4.081 6.068 7.376 150 1HB ASP 19 HB2 ASP 19 5.446 7.012 9.287 151 2HB ASP 19 HB1 ASP 19 6.658 7.506 8.105 152 H ALA 20 HN ALA 20 7.327 5.819 5.997 153 HA ALA 20 HA ALA 20 6.738 7.555 3.850 154 1HB ALA 20 HB1 ALA 20 8.811 6.947 2.950 155 2HB ALA 20 HB2 ALA 20 8.712 5.302 3.578 156 3HB ALA 20 HB3 ALA 20 9.043 6.641 4.672 157 H LEU 21 HN LEU 21 6.436 4.045 4.234 158 HA LEU 21 HA LEU 21 5.732 3.397 1.617 159 1HB LEU 21 HB2 LEU 21 6.404 1.689 3.164 160 2HB LEU 21 HB1 LEU 21 5.127 2.125 4.292 161 HG LEU 21 HG LEU 21 3.446 1.395 2.647 162 1HD1 LEU 21 HD11 LEU 21 4.329 -0.023 0.711 163 2HD1 LEU 21 HD12 LEU 21 5.900 0.704 1.023 164 3HD1 LEU 21 HD13 LEU 21 4.541 1.717 0.539 165 1HD2 LEU 21 HD21 LEU 21 5.519 -0.761 3.078 166 2HD2 LEU 21 HD22 LEU 21 3.771 -0.964 2.959 167 3HD2 LEU 21 HD23 LEU 21 4.471 -0.157 4.361 168 H ALA 22 HN ALA 22 3.714 4.205 4.419 169 HA ALA 22 HA ALA 22 1.201 3.946 3.125 170 1HB ALA 22 HB1 ALA 22 0.283 5.084 4.997 171 2HB ALA 22 HB2 ALA 22 1.797 5.927 5.328 172 3HB ALA 22 HB3 ALA 22 1.660 4.199 5.652 173 H GLY 23 HN GLY 23 3.445 6.683 3.318 174 1HA GLY 23 HA2 GLY 23 1.668 8.534 2.053 175 2HA GLY 23 HA1 GLY 23 3.431 8.677 2.258 176 H GLU 24 HN GLU 24 4.316 6.486 0.733 177 HA GLU 24 HA GLU 24 3.999 7.517 -1.876 178 1HB GLU 24 HB2 GLU 24 6.008 6.212 -1.076 179 2HB GLU 24 HB1 GLU 24 5.020 4.755 -1.077 180 1HG GLU 24 HG2 GLU 24 6.229 4.784 -3.152 181 2HG GLU 24 HG1 GLU 24 4.558 5.187 -3.533 182 H LEU 25 HN LEU 25 2.478 4.799 -0.213 183 HA LEU 25 HA LEU 25 1.137 3.792 -2.480 184 1HB LEU 25 HB2 LEU 25 0.535 3.526 0.454 185 2HB LEU 25 HB1 LEU 25 -0.424 2.723 -0.786 186 HG LEU 25 HG LEU 25 2.580 2.421 -0.501 187 1HD1 LEU 25 HD11 LEU 25 0.317 0.631 0.434 188 2HD1 LEU 25 HD12 LEU 25 1.442 1.511 1.465 189 3HD1 LEU 25 HD13 LEU 25 2.023 0.187 0.455 190 1HD2 LEU 25 HD21 LEU 25 1.800 0.221 -1.854 191 2HD2 LEU 25 HD22 LEU 25 2.186 1.723 -2.684 192 3HD2 LEU 25 HD23 LEU 25 0.503 1.302 -2.368 193 H SER 26 HN SER 26 0.047 6.153 -0.057 194 HA SER 26 HA SER 26 -2.624 6.347 -0.935 195 1HB SER 26 HB2 SER 26 -2.701 8.445 0.262 196 2HB SER 26 HB1 SER 26 -1.729 7.306 1.189 197 HG SER 26 HG SER 26 0.120 8.276 0.119 198 H ARG 27 HN ARG 27 0.243 8.229 -1.907 199 HA ARG 27 HA ARG 27 -1.107 9.971 -3.678 200 1HB ARG 27 HB2 ARG 27 1.223 10.324 -2.912 201 2HB ARG 27 HB1 ARG 27 1.728 8.901 -3.820 202 1HG ARG 27 HG2 ARG 27 1.128 9.937 -5.914 203 2HG ARG 27 HG1 ARG 27 0.377 11.300 -5.081 204 1HD ARG 27 HD2 ARG 27 2.577 11.995 -5.819 205 2HD ARG 27 HD1 ARG 27 2.610 11.828 -4.066 206 HE ARG 27 HE ARG 27 4.084 10.039 -4.305 207 1HH1 ARG 27 HH21 ARG 27 2.406 8.621 -6.458 208 2HH1 ARG 27 HH22 ARG 27 3.525 8.581 -7.780 209 1HH2 ARG 27 HH11 ARG 27 5.646 10.951 -6.401 210 2HH2 ARG 27 HH12 ARG 27 5.358 9.900 -7.747 211 H ARG 28 HN ARG 28 0.317 6.762 -4.177 212 HA ARG 28 HA ARG 28 -0.106 6.689 -6.958 213 1HB ARG 28 HB2 ARG 28 1.411 5.150 -5.836 214 2HB ARG 28 HB1 ARG 28 0.060 4.412 -4.981 215 1HG ARG 28 HG2 ARG 28 0.746 3.082 -6.925 216 2HG ARG 28 HG1 ARG 28 -0.906 3.661 -7.109 217 1HD ARG 28 HD2 ARG 28 -0.255 5.292 -8.704 218 2HD ARG 28 HD1 ARG 28 1.447 5.168 -8.259 219 HE ARG 28 HE ARG 28 0.602 2.663 -9.208 220 1HH1 ARG 28 HH11 ARG 28 -0.642 5.051 -10.940 221 2HH1 ARG 28 HH12 ARG 28 0.442 4.994 -12.290 222 1HH2 ARG 28 HH21 ARG 28 2.751 2.963 -10.689 223 2HH2 ARG 28 HH22 ARG 28 2.363 3.812 -12.148 224 H ILE 29 HN ILE 29 -2.134 5.728 -4.238 225 HA ILE 29 HA ILE 29 -4.199 4.494 -5.754 226 HB ILE 29 HB ILE 29 -4.168 5.690 -2.981 227 1HG1 ILE 29 HG12 ILE 29 -2.844 3.637 -3.290 228 2HG1 ILE 29 HG11 ILE 29 -4.249 3.319 -2.286 229 1HG2 ILE 29 HG21 ILE 29 -6.345 4.430 -2.672 230 2HG2 ILE 29 HG22 ILE 29 -6.415 4.257 -4.424 231 3HG2 ILE 29 HG23 ILE 29 -6.463 5.861 -3.693 232 1HD1 ILE 29 HD11 ILE 29 -5.301 2.699 -4.709 233 2HD1 ILE 29 HD12 ILE 29 -4.447 1.528 -3.712 234 3HD1 ILE 29 HD13 ILE 29 -3.604 2.342 -5.024 235 H GLN 30 HN GLN 30 -3.808 7.784 -4.543 236 HA GLN 30 HA GLN 30 -6.341 8.763 -5.468 237 1HB GLN 30 HB2 GLN 30 -3.725 10.196 -4.927 238 2HB GLN 30 HB1 GLN 30 -5.201 11.023 -5.412 239 1HG GLN 30 HG2 GLN 30 -6.352 10.271 -3.408 240 2HG GLN 30 HG1 GLN 30 -4.985 9.264 -2.941 241 1HE2 GLN 30 HE21 GLN 30 -5.899 11.284 -1.178 242 2HE2 GLN 30 HE22 GLN 30 -4.734 12.516 -1.104 243 H TYR 31 HN TYR 31 -3.165 8.552 -7.101 244 HA TYR 31 HA TYR 31 -4.073 9.959 -9.380 245 1HB TYR 31 HB2 TYR 31 -1.671 9.640 -8.910 246 2HB TYR 31 HB1 TYR 31 -1.857 7.900 -9.136 247 HD1 TYR 31 HD1 TYR 31 -2.163 11.193 -10.844 248 HD2 TYR 31 HD2 TYR 31 -1.875 6.932 -11.314 249 HE1 TYR 31 HE1 TYR 31 -1.868 11.483 -13.288 250 HE2 TYR 31 HE2 TYR 31 -1.578 7.223 -13.759 251 HH TYR 31 HH TYR 31 -1.311 8.681 -15.417 252 H ALA 32 HN ALA 32 -4.082 6.531 -8.510 253 HA ALA 32 HA ALA 32 -5.008 5.608 -11.038 254 1HB ALA 32 HB1 ALA 32 -5.370 4.260 -8.361 255 2HB ALA 32 HB2 ALA 32 -3.876 4.207 -9.295 256 3HB ALA 32 HB3 ALA 32 -5.351 3.499 -9.952 257 H PHE 33 HN PHE 33 -6.603 6.621 -8.070 258 HA PHE 33 HA PHE 33 -9.263 6.310 -9.370 259 1HB PHE 33 HB2 PHE 33 -8.501 6.097 -6.457 260 2HB PHE 33 HB1 PHE 33 -10.150 6.080 -7.075 261 HD1 PHE 33 HD1 PHE 33 -10.903 4.250 -8.604 262 HD2 PHE 33 HD2 PHE 33 -7.077 4.172 -6.654 263 HE1 PHE 33 HE1 PHE 33 -10.704 1.826 -9.091 264 HE2 PHE 33 HE2 PHE 33 -6.878 1.748 -7.138 265 HZ PHE 33 HZ PHE 33 -8.691 0.576 -8.358 266 HA PRO 34 HA PRO 34 -8.671 10.816 -8.555 267 1HB PRO 34 HB2 PRO 34 -10.220 11.373 -10.939 268 2HB PRO 34 HB1 PRO 34 -8.501 11.672 -10.641 269 1HG PRO 34 HG2 PRO 34 -9.529 9.783 -12.401 270 2HG PRO 34 HG1 PRO 34 -7.877 9.810 -11.764 271 1HD PRO 34 HD2 PRO 34 -10.170 8.076 -10.970 272 2HD PRO 34 HD1 PRO 34 -8.422 7.754 -10.901 273 H ASP 35 HN ASP 35 -11.511 8.963 -9.368 274 HA ASP 35 HA ASP 35 -13.383 10.999 -8.424 275 1HB ASP 35 HB2 ASP 35 -15.102 9.486 -9.270 276 2HB ASP 35 HB1 ASP 35 -13.865 9.802 -10.487 277 H ASN 36 HN ASN 36 -11.758 8.360 -6.897 278 HA ASN 36 HA ASN 36 -13.997 8.135 -4.947 279 1HB ASN 36 HB2 ASN 36 -13.684 6.107 -6.262 280 2HB ASN 36 HB1 ASN 36 -12.013 6.009 -5.709 281 1HD2 ASN 36 HD21 ASN 36 -15.388 5.689 -4.669 282 2HD2 ASN 36 HD22 ASN 36 -15.034 4.947 -3.183 283 H GLU 37 HN GLU 37 -13.407 8.693 -2.755 284 HA GLU 37 HA GLU 37 -10.861 9.602 -2.058 285 1HB GLU 37 HB2 GLU 37 -13.208 8.556 -0.502 286 2HB GLU 37 HB1 GLU 37 -11.782 9.274 0.242 287 1HG GLU 37 HG2 GLU 37 -13.434 10.672 -1.878 288 2HG GLU 37 HG1 GLU 37 -13.692 10.886 -0.149 289 H GLY 38 HN GLY 38 -9.063 8.361 -1.683 290 1HA GLY 38 HA2 GLY 38 -9.387 5.466 -0.986 291 2HA GLY 38 HA1 GLY 38 -8.039 6.013 -1.734 292 H HIS 39 HN HIS 39 -8.864 4.963 1.262 293 HA HIS 39 HA HIS 39 -7.001 6.839 2.581 294 1HB HIS 39 HB2 HIS 39 -9.358 6.738 3.488 295 2HB HIS 39 HB1 HIS 39 -9.062 5.050 3.903 296 HD1 HIS 39 HD1 HIS 39 -7.155 4.592 5.700 297 HD2 HIS 39 HD2 HIS 39 -8.220 8.597 5.251 298 HE1 HIS 39 HE1 HIS 39 -6.208 5.815 7.706 299 H VAL 40 HN VAL 40 -5.042 5.874 3.052 300 HA VAL 40 HA VAL 40 -4.903 2.939 3.048 301 HB VAL 40 HB VAL 40 -2.816 5.006 2.358 302 1HG1 VAL 40 HG11 VAL 40 -1.691 2.841 1.461 303 2HG1 VAL 40 HG12 VAL 40 -2.775 1.996 2.564 304 3HG1 VAL 40 HG13 VAL 40 -1.610 3.162 3.192 305 1HG2 VAL 40 HG21 VAL 40 -4.770 4.660 0.753 306 2HG2 VAL 40 HG22 VAL 40 -4.232 2.989 0.588 307 3HG2 VAL 40 HG23 VAL 40 -3.179 4.305 0.076 308 H SER 41 HN SER 41 -4.237 1.944 4.824 309 HA SER 41 HA SER 41 -2.786 3.484 6.906 310 1HB SER 41 HB2 SER 41 -5.069 3.159 7.714 311 2HB SER 41 HB1 SER 41 -4.979 1.435 7.363 312 HG SER 41 HG SER 41 -2.888 1.982 8.833 313 H VAL 42 HN VAL 42 -1.098 2.516 7.901 314 HA VAL 42 HA VAL 42 -0.505 -0.278 7.156 315 HB VAL 42 HB VAL 42 1.561 1.940 7.248 316 1HG1 VAL 42 HG11 VAL 42 1.699 -0.957 6.363 317 2HG1 VAL 42 HG12 VAL 42 2.427 -0.278 7.820 318 3HG1 VAL 42 HG13 VAL 42 3.017 0.208 6.231 319 1HG2 VAL 42 HG21 VAL 42 -0.145 1.975 5.287 320 2HG2 VAL 42 HG22 VAL 42 0.654 0.500 4.752 321 3HG2 VAL 42 HG23 VAL 42 1.569 1.996 4.882 322 H ARG 43 HN ARG 43 -0.055 -1.549 8.824 323 HA ARG 43 HA ARG 43 1.138 -0.394 11.235 324 1HB ARG 43 HB2 ARG 43 -1.392 -2.050 11.435 325 2HB ARG 43 HB1 ARG 43 -0.559 -1.199 12.734 326 1HG ARG 43 HG2 ARG 43 -1.013 0.956 11.492 327 2HG ARG 43 HG1 ARG 43 -2.029 0.026 10.390 328 1HD ARG 43 HD2 ARG 43 -3.300 -0.783 12.440 329 2HD ARG 43 HD1 ARG 43 -2.419 0.431 13.362 330 HE ARG 43 HE ARG 43 -3.754 1.474 11.011 331 1HH1 ARG 43 HH21 ARG 43 -4.830 0.074 13.898 332 2HH1 ARG 43 HH22 ARG 43 -5.759 1.440 14.417 333 1HH2 ARG 43 HH11 ARG 43 -4.608 3.519 11.892 334 2HH2 ARG 43 HH12 ARG 43 -5.634 3.390 13.281 335 H TYR 44 HN TYR 44 1.876 -2.054 12.769 336 HA TYR 44 HA TYR 44 2.859 -4.446 11.384 337 1HB TYR 44 HB2 TYR 44 3.272 -3.391 14.201 338 2HB TYR 44 HB1 TYR 44 3.962 -4.894 13.609 339 HD1 TYR 44 HD1 TYR 44 5.252 -4.652 11.268 340 HD2 TYR 44 HD2 TYR 44 4.607 -1.478 14.092 341 HE1 TYR 44 HE1 TYR 44 7.197 -3.430 10.342 342 HE2 TYR 44 HE2 TYR 44 6.549 -0.255 13.166 343 HH TYR 44 HH TYR 44 8.016 -1.098 10.218 344 H ALA 45 HN ALA 45 2.255 -6.499 11.721 345 HA ALA 45 HA ALA 45 0.229 -7.082 13.764 346 1HB ALA 45 HB1 ALA 45 -0.138 -8.044 10.929 347 2HB ALA 45 HB2 ALA 45 -0.816 -6.507 11.463 348 3HB ALA 45 HB3 ALA 45 -1.313 -8.009 12.243 349 H ALA 46 HN ALA 46 -0.100 -9.527 13.890 350 HA ALA 46 HA ALA 46 2.417 -10.766 14.193 351 1HB ALA 46 HB1 ALA 46 1.251 -12.683 14.907 352 2HB ALA 46 HB2 ALA 46 -0.121 -12.357 13.848 353 3HB ALA 46 HB3 ALA 46 0.129 -11.380 15.294 354 H ALA 47 HN ALA 47 0.271 -10.568 11.433 355 HA ALA 47 HA ALA 47 2.293 -12.072 9.888 356 1HB ALA 47 HB1 ALA 47 0.477 -13.265 8.691 357 2HB ALA 47 HB2 ALA 47 -0.692 -12.561 9.807 358 3HB ALA 47 HB3 ALA 47 0.537 -13.675 10.405 359 H ASN 48 HN ASN 48 2.391 -11.641 7.660 360 HA ASN 48 HA ASN 48 1.726 -8.938 6.890 361 1HB ASN 48 HB2 ASN 48 3.734 -10.110 6.021 362 2HB ASN 48 HB1 ASN 48 2.690 -11.278 5.215 363 1HD2 ASN 48 HD21 ASN 48 3.516 -7.790 5.276 364 2HD2 ASN 48 HD22 ASN 48 3.018 -7.489 3.681 365 H ASN 49 HN ASN 49 -0.205 -8.291 6.041 366 HA ASN 49 HA ASN 49 -1.807 -10.129 4.432 367 1HB ASN 49 HB2 ASN 49 -2.763 -9.013 7.070 368 2HB ASN 49 HB1 ASN 49 -3.849 -9.618 5.824 369 1HD2 ASN 49 HD21 ASN 49 -3.047 -10.704 8.619 370 2HD2 ASN 49 HD22 ASN 49 -2.626 -12.318 8.308 371 H LEU 50 HN LEU 50 -3.340 -9.060 3.132 372 HA LEU 50 HA LEU 50 -3.280 -6.093 3.154 373 1HB LEU 50 HB2 LEU 50 -1.866 -6.995 1.331 374 2HB LEU 50 HB1 LEU 50 -3.232 -7.931 0.737 375 HG LEU 50 HG LEU 50 -3.779 -5.013 1.106 376 1HD1 LEU 50 HD11 LEU 50 -1.841 -6.004 -1.008 377 2HD1 LEU 50 HD12 LEU 50 -1.552 -4.761 0.211 378 3HD1 LEU 50 HD13 LEU 50 -2.692 -4.463 -1.101 379 1HD2 LEU 50 HD21 LEU 50 -5.448 -6.478 0.081 380 2HD2 LEU 50 HD22 LEU 50 -4.286 -6.996 -1.143 381 3HD2 LEU 50 HD23 LEU 50 -4.859 -5.330 -1.122 382 H SER 51 HN SER 51 -5.361 -5.324 3.408 383 HA SER 51 HA SER 51 -7.608 -7.059 2.525 384 1HB SER 51 HB2 SER 51 -8.837 -5.853 4.438 385 2HB SER 51 HB1 SER 51 -7.689 -7.117 4.870 386 HG SER 51 HG SER 51 -6.867 -5.576 6.051 387 H VAL 52 HN VAL 52 -9.014 -6.069 1.131 388 HA VAL 52 HA VAL 52 -8.974 -3.123 0.942 389 HB VAL 52 HB VAL 52 -9.370 -5.084 -1.336 390 1HG1 VAL 52 HG11 VAL 52 -10.785 -3.170 -1.690 391 2HG1 VAL 52 HG12 VAL 52 -9.348 -2.921 -2.682 392 3HG1 VAL 52 HG13 VAL 52 -9.525 -2.061 -1.152 393 1HG2 VAL 52 HG21 VAL 52 -7.000 -4.691 -0.488 394 2HG2 VAL 52 HG22 VAL 52 -7.205 -3.003 -0.960 395 3HG2 VAL 52 HG23 VAL 52 -7.279 -4.276 -2.182 396 H ILE 53 HN ILE 53 -10.888 -2.203 1.404 397 HA ILE 53 HA ILE 53 -13.312 -3.906 1.303 398 HB ILE 53 HB ILE 53 -12.756 -1.397 2.919 399 1HG1 ILE 53 HG12 ILE 53 -12.897 -3.000 4.871 400 2HG1 ILE 53 HG11 ILE 53 -12.838 -4.329 3.721 401 1HG2 ILE 53 HG21 ILE 53 -14.888 -2.143 4.077 402 2HG2 ILE 53 HG22 ILE 53 -15.117 -3.276 2.744 403 3HG2 ILE 53 HG23 ILE 53 -15.092 -1.540 2.433 404 1HD1 ILE 53 HD11 ILE 53 -10.631 -3.258 4.892 405 2HD1 ILE 53 HD12 ILE 53 -10.684 -2.289 3.423 406 3HD1 ILE 53 HD13 ILE 53 -10.601 -4.047 3.320 407 H GLY 54 HN GLY 54 -14.815 -3.362 -0.158 408 1HA GLY 54 HA2 GLY 54 -16.181 -1.930 -1.419 409 2HA GLY 54 HA1 GLY 54 -15.109 -0.586 -1.016 410 H ALA 55 HN ALA 55 -15.098 -3.590 -3.048 411 HA ALA 55 HA ALA 55 -14.198 -2.098 -5.241 412 1HB ALA 55 HB1 ALA 55 -11.855 -3.248 -5.370 413 2HB ALA 55 HB2 ALA 55 -12.051 -3.477 -3.633 414 3HB ALA 55 HB3 ALA 55 -12.046 -1.850 -4.313 415 H THR 56 HN THR 56 -13.607 -3.325 -7.098 416 HA THR 56 HA THR 56 -15.053 -5.896 -7.373 417 HB THR 56 HB THR 56 -14.887 -5.381 -9.716 418 HG1 THR 56 HG1 THR 56 -12.983 -3.650 -8.774 419 1HG2 THR 56 HG21 THR 56 -16.632 -4.254 -8.213 420 2HG2 THR 56 HG22 THR 56 -16.341 -3.496 -9.779 421 3HG2 THR 56 HG23 THR 56 -15.630 -2.806 -8.321 422 H LYS 57 HN LYS 57 -14.100 -7.586 -8.489 423 HA LYS 57 HA LYS 57 -11.610 -8.383 -7.547 424 1HB LYS 57 HB2 LYS 57 -13.317 -9.971 -8.406 425 2HB LYS 57 HB1 LYS 57 -13.032 -9.388 -10.044 426 1HG LYS 57 HG2 LYS 57 -10.617 -10.137 -9.796 427 2HG LYS 57 HG1 LYS 57 -11.077 -10.891 -8.267 428 1HD LYS 57 HD2 LYS 57 -12.295 -11.499 -10.973 429 2HD LYS 57 HD1 LYS 57 -11.150 -12.519 -10.105 430 1HE LYS 57 HE2 LYS 57 -12.920 -12.383 -8.159 431 2HE LYS 57 HE1 LYS 57 -14.028 -11.938 -9.459 432 1HZ LYS 57 HZ1 LYS 57 -13.804 -14.385 -8.918 433 2HZ LYS 57 HZ2 LYS 57 -12.273 -14.307 -9.650 434 3HZ LYS 57 HZ3 LYS 57 -13.668 -13.950 -10.552 435 H GLU 58 HN GLU 58 -12.330 -6.805 -10.705 436 HA GLU 58 HA GLU 58 -9.674 -7.151 -11.694 437 1HB GLU 58 HB2 GLU 58 -11.934 -5.299 -12.440 438 2HB GLU 58 HB1 GLU 58 -10.360 -5.239 -13.233 439 1HG GLU 58 HG2 GLU 58 -10.576 -7.619 -13.857 440 2HG GLU 58 HG1 GLU 58 -12.148 -7.696 -13.073 441 H ASP 59 HN ASP 59 -11.261 -4.678 -9.741 442 HA ASP 59 HA ASP 59 -9.184 -2.753 -9.864 443 1HB ASP 59 HB2 ASP 59 -11.340 -3.295 -7.807 444 2HB ASP 59 HB1 ASP 59 -10.234 -1.926 -7.704 445 H LYS 60 HN LYS 60 -9.980 -5.365 -7.619 446 HA LYS 60 HA LYS 60 -7.805 -4.942 -5.833 447 1HB LYS 60 HB2 LYS 60 -9.407 -7.446 -6.429 448 2HB LYS 60 HB1 LYS 60 -8.175 -7.352 -5.170 449 1HG LYS 60 HG2 LYS 60 -9.405 -5.511 -4.094 450 2HG LYS 60 HG1 LYS 60 -10.642 -5.602 -5.350 451 1HD LYS 60 HD2 LYS 60 -11.088 -7.960 -4.712 452 2HD LYS 60 HD1 LYS 60 -9.904 -7.815 -3.412 453 1HE LYS 60 HE2 LYS 60 -11.994 -7.401 -2.369 454 2HE LYS 60 HE1 LYS 60 -11.294 -5.800 -2.611 455 1HZ LYS 60 HZ1 LYS 60 -12.537 -5.856 -4.822 456 2HZ LYS 60 HZ2 LYS 60 -13.444 -5.597 -3.408 457 3HZ LYS 60 HZ3 LYS 60 -13.433 -7.127 -4.146 458 H GLN 61 HN GLN 61 -7.955 -6.893 -8.824 459 HA GLN 61 HA GLN 61 -5.372 -8.030 -8.423 460 1HB GLN 61 HB2 GLN 61 -6.964 -8.912 -10.107 461 2HB GLN 61 HB1 GLN 61 -6.820 -7.408 -11.017 462 1HG GLN 61 HG2 GLN 61 -4.461 -7.799 -11.404 463 2HG GLN 61 HG1 GLN 61 -4.479 -9.207 -10.345 464 1HE2 GLN 61 HE21 GLN 61 -3.611 -9.603 -12.960 465 2HE2 GLN 61 HE22 GLN 61 -4.787 -10.455 -13.838 466 H ARG 62 HN ARG 62 -6.533 -5.039 -10.025 467 HA ARG 62 HA ARG 62 -4.022 -4.244 -10.982 468 1HB ARG 62 HB2 ARG 62 -6.115 -3.173 -11.738 469 2HB ARG 62 HB1 ARG 62 -6.359 -2.500 -10.128 470 1HG ARG 62 HG2 ARG 62 -4.262 -1.215 -10.333 471 2HG ARG 62 HG1 ARG 62 -3.992 -1.900 -11.936 472 1HD ARG 62 HD2 ARG 62 -6.102 -0.895 -12.717 473 2HD ARG 62 HD1 ARG 62 -6.364 -0.205 -11.118 474 HE ARG 62 HE ARG 62 -3.833 0.620 -12.024 475 1HH1 ARG 62 HH11 ARG 62 -7.212 1.217 -12.285 476 2HH1 ARG 62 HH12 ARG 62 -7.031 2.695 -13.170 477 1HH2 ARG 62 HH21 ARG 62 -3.578 2.449 -13.388 478 2HH2 ARG 62 HH22 ARG 62 -4.973 3.392 -13.795 479 H ILE 63 HN ILE 63 -5.644 -3.565 -7.906 480 HA ILE 63 HA ILE 63 -3.599 -1.921 -6.876 481 HB ILE 63 HB ILE 63 -5.662 -3.616 -5.504 482 1HG1 ILE 63 HG12 ILE 63 -5.382 -0.613 -5.572 483 2HG1 ILE 63 HG11 ILE 63 -6.276 -1.506 -6.802 484 1HG2 ILE 63 HG21 ILE 63 -3.541 -1.848 -4.286 485 2HG2 ILE 63 HG22 ILE 63 -3.913 -3.526 -3.891 486 3HG2 ILE 63 HG23 ILE 63 -5.036 -2.244 -3.436 487 1HD1 ILE 63 HD11 ILE 63 -6.842 -1.460 -3.824 488 2HD1 ILE 63 HD12 ILE 63 -7.664 -2.520 -4.969 489 3HD1 ILE 63 HD13 ILE 63 -7.844 -0.770 -5.100 490 H SER 64 HN SER 64 -3.972 -5.425 -6.754 491 HA SER 64 HA SER 64 -1.702 -5.922 -5.125 492 1HB SER 64 HB2 SER 64 -3.414 -7.648 -5.836 493 2HB SER 64 HB1 SER 64 -2.670 -7.634 -7.431 494 HG SER 64 HG SER 64 -1.106 -8.807 -6.669 495 H GLU 65 HN GLU 65 -2.067 -5.528 -8.710 496 HA GLU 65 HA GLU 65 0.639 -5.984 -9.306 497 1HB GLU 65 HB2 GLU 65 -1.453 -4.334 -10.750 498 2HB GLU 65 HB1 GLU 65 0.156 -4.652 -11.401 499 1HG GLU 65 HG2 GLU 65 -0.276 -7.090 -11.233 500 2HG GLU 65 HG1 GLU 65 -1.900 -6.745 -10.640 501 H ILE 66 HN ILE 66 -1.082 -3.005 -8.460 502 HA ILE 66 HA ILE 66 1.051 -1.215 -8.828 503 HB ILE 66 HB ILE 66 -1.335 -1.150 -6.976 504 1HG1 ILE 66 HG12 ILE 66 -0.657 0.382 -9.510 505 2HG1 ILE 66 HG11 ILE 66 -1.685 -1.048 -9.457 506 1HG2 ILE 66 HG21 ILE 66 0.856 0.878 -7.423 507 2HG2 ILE 66 HG22 ILE 66 0.246 0.260 -5.889 508 3HG2 ILE 66 HG23 ILE 66 -0.744 1.350 -6.850 509 1HD1 ILE 66 HD11 ILE 66 -2.204 1.599 -8.070 510 2HD1 ILE 66 HD12 ILE 66 -3.196 0.156 -7.862 511 3HD1 ILE 66 HD13 ILE 66 -3.096 0.936 -9.440 512 H LEU 67 HN LEU 67 0.041 -2.979 -5.926 513 HA LEU 67 HA LEU 67 2.013 -1.941 -4.199 514 1HB LEU 67 HB2 LEU 67 0.241 -3.162 -3.159 515 2HB LEU 67 HB1 LEU 67 0.471 -4.548 -4.217 516 HG LEU 67 HG LEU 67 2.698 -4.967 -3.128 517 1HD1 LEU 67 HD11 LEU 67 3.422 -2.903 -2.248 518 2HD1 LEU 67 HD12 LEU 67 2.893 -3.767 -0.808 519 3HD1 LEU 67 HD13 LEU 67 1.848 -2.546 -1.533 520 1HD2 LEU 67 HD21 LEU 67 0.404 -4.794 -1.154 521 2HD2 LEU 67 HD22 LEU 67 1.773 -5.904 -1.095 522 3HD2 LEU 67 HD23 LEU 67 0.571 -6.056 -2.375 523 H GLN 68 HN GLN 68 2.035 -4.693 -6.400 524 HA GLN 68 HA GLN 68 4.619 -5.637 -5.707 525 1HB GLN 68 HB2 GLN 68 3.049 -6.958 -7.070 526 2HB GLN 68 HB1 GLN 68 3.166 -5.765 -8.364 527 1HG GLN 68 HG2 GLN 68 5.505 -6.238 -8.690 528 2HG GLN 68 HG1 GLN 68 5.558 -7.245 -7.244 529 1HE2 GLN 68 HE21 GLN 68 6.377 -8.418 -9.636 530 2HE2 GLN 68 HE22 GLN 68 5.209 -9.529 -10.165 531 H GLU 69 HN GLU 69 3.624 -3.400 -8.371 532 HA GLU 69 HA GLU 69 6.219 -2.932 -9.258 533 1HB GLU 69 HB2 GLU 69 3.724 -1.249 -9.435 534 2HB GLU 69 HB1 GLU 69 5.235 -0.804 -10.226 535 1HG GLU 69 HG2 GLU 69 3.874 -3.479 -10.629 536 2HG GLU 69 HG1 GLU 69 3.622 -2.091 -11.687 537 H THR 70 HN THR 70 4.355 -1.013 -6.868 538 HA THR 70 HA THR 70 6.275 1.009 -6.520 539 HB THR 70 HB THR 70 4.395 -0.112 -4.471 540 HG1 THR 70 HG1 THR 70 2.939 0.782 -5.661 541 1HG2 THR 70 HG21 THR 70 5.869 2.516 -4.672 542 2HG2 THR 70 HG22 THR 70 6.076 1.281 -3.429 543 3HG2 THR 70 HG23 THR 70 4.573 2.199 -3.519 544 H TRP 71 HN TRP 71 5.743 -1.991 -4.832 545 HA TRP 71 HA TRP 71 7.796 -1.830 -2.988 546 1HB TRP 71 HB2 TRP 71 5.989 -3.369 -2.735 547 2HB TRP 71 HB1 TRP 71 6.392 -4.159 -4.248 548 HD1 TRP 71 HD1 TRP 71 7.347 -6.441 -3.743 549 HE1 TRP 71 HE1 TRP 71 9.006 -7.438 -2.045 550 HE3 TRP 71 HE3 TRP 71 8.289 -2.308 -0.848 551 HZ2 TRP 71 HZ2 TRP 71 10.513 -6.614 0.230 552 HZ3 TRP 71 HZ3 TRP 71 9.829 -2.464 1.078 553 HH2 TRP 71 HH2 TRP 71 10.938 -4.609 1.624 554 H GLU 72 HN GLU 72 7.816 -3.054 -6.280 555 HA GLU 72 HA GLU 72 10.526 -3.945 -6.152 556 1HB GLU 72 HB2 GLU 72 8.635 -3.543 -8.469 557 2HB GLU 72 HB1 GLU 72 10.293 -4.107 -8.686 558 1HG GLU 72 HG2 GLU 72 9.852 -5.994 -7.156 559 2HG GLU 72 HG1 GLU 72 8.196 -5.436 -6.941 560 H SER 73 HN SER 73 9.158 -0.793 -6.642 561 HA SER 73 HA SER 73 11.695 0.133 -7.875 562 1HB SER 73 HB2 SER 73 10.500 2.097 -8.585 563 2HB SER 73 HB1 SER 73 9.520 0.699 -9.015 564 HG SER 73 HG SER 73 8.100 1.946 -7.982 565 H ALA 74 HN ALA 74 11.076 -0.516 -4.973 566 HA ALA 74 HA ALA 74 10.831 1.615 -3.345 567 1HB ALA 74 HB1 ALA 74 10.954 -0.776 -2.724 568 2HB ALA 74 HB2 ALA 74 11.892 0.286 -1.673 569 3HB ALA 74 HB3 ALA 74 12.708 -0.686 -2.899 570 H ASP 75 HN ASP 75 13.882 0.633 -4.878 571 HA ASP 75 HA ASP 75 15.574 2.272 -3.339 572 1HB ASP 75 HB2 ASP 75 16.304 0.407 -4.834 573 2HB ASP 75 HB1 ASP 75 15.995 1.455 -6.217 574 H ASP 76 HN ASP 76 13.407 3.132 -5.918 575 HA ASP 76 HA ASP 76 14.804 5.658 -6.486 576 1HB ASP 76 HB2 ASP 76 13.809 4.325 -8.327 577 2HB ASP 76 HB1 ASP 76 12.218 4.565 -7.608 578 H TRP 77 HN TRP 77 11.627 4.678 -5.155 579 HA TRP 77 HA TRP 77 11.068 7.500 -4.530 580 1HB TRP 77 HB2 TRP 77 8.866 6.896 -4.082 581 2HB TRP 77 HB1 TRP 77 9.337 5.930 -5.463 582 HD1 TRP 77 HD1 TRP 77 9.258 3.310 -5.200 583 HE1 TRP 77 HE1 TRP 77 8.613 1.734 -3.288 584 HE3 TRP 77 HE3 TRP 77 8.964 6.646 -1.231 585 HZ2 TRP 77 HZ2 TRP 77 8.068 1.819 -0.511 586 HZ3 TRP 77 HZ3 TRP 77 8.384 5.812 0.989 587 HH2 TRP 77 HH2 TRP 77 7.945 3.427 1.359 588 H PHE 78 HN PHE 78 12.331 4.768 -2.771 589 HA PHE 78 HA PHE 78 11.522 5.959 -0.203 590 1HB PHE 78 HB2 PHE 78 11.466 3.536 -0.277 591 2HB PHE 78 HB1 PHE 78 13.143 3.482 -0.800 592 HD1 PHE 78 HD1 PHE 78 11.172 5.162 1.942 593 HD2 PHE 78 HD2 PHE 78 14.718 2.950 0.882 594 HE1 PHE 78 HE1 PHE 78 11.936 5.235 4.292 595 HE2 PHE 78 HE2 PHE 78 15.459 3.025 3.237 596 HZ PHE 78 HZ PHE 78 14.072 4.165 4.944 597 H VAL 79 HN VAL 79 12.674 7.319 0.904 598 HA VAL 79 HA VAL 79 15.556 7.642 0.302 599 HB VAL 79 HB VAL 79 13.900 9.902 1.410 600 1HG1 VAL 79 HG11 VAL 79 15.512 11.264 0.331 601 2HG1 VAL 79 HG12 VAL 79 16.031 9.956 -0.732 602 3HG1 VAL 79 HG13 VAL 79 16.443 9.914 0.983 603 1HG2 VAL 79 HG21 VAL 79 12.486 9.110 -0.419 604 2HG2 VAL 79 HG22 VAL 79 13.886 8.999 -1.491 605 3HG2 VAL 79 HG23 VAL 79 13.325 10.576 -0.938 606 H SER 80 HN SER 80 16.945 7.753 2.187 607 HA SER 80 HA SER 80 15.562 7.525 4.810 608 1HB SER 80 HB2 SER 80 18.180 6.169 4.122 609 2HB SER 80 HB1 SER 80 17.139 5.889 5.514 610 HG SER 80 HG SER 80 15.641 5.519 3.398 611 H GLU 81 HN GLU 81 16.357 8.714 6.436 612 HA GLU 81 HA GLU 81 17.669 11.080 6.062 613 1HB GLU 81 HB2 GLU 81 16.547 10.306 8.179 614 2HB GLU 81 HB1 GLU 81 18.004 9.382 8.544 615 1HG GLU 81 HG2 GLU 81 18.198 11.489 9.687 616 2HG GLU 81 HG1 GLU 81 19.313 11.538 8.325 Start of MODEL 18 1 1H MET 1 HT1 MET 1 -14.079 4.048 -1.669 2 2H MET 1 HT2 MET 1 -13.336 4.600 -0.245 3 3H MET 1 HT3 MET 1 -14.777 3.705 -0.162 4 HA MET 1 HA MET 1 -13.758 1.749 -0.351 5 1HB MET 1 HB2 MET 1 -11.894 1.366 -1.912 6 2HB MET 1 HB1 MET 1 -13.226 2.200 -2.709 7 1HG MET 1 HG2 MET 1 -12.035 4.380 -2.203 8 2HG MET 1 HG1 MET 1 -10.650 3.420 -1.684 9 1HE MET 1 HE1 MET 1 -8.955 2.414 -3.114 10 2HE MET 1 HE2 MET 1 -9.222 1.807 -4.746 11 3HE MET 1 HE3 MET 1 -10.135 1.128 -3.404 12 H ARG 2 HN ARG 2 -12.234 0.812 1.041 13 HA ARG 2 HA ARG 2 -10.184 2.626 2.209 14 1HB ARG 2 HB2 ARG 2 -11.939 0.611 3.632 15 2HB ARG 2 HB1 ARG 2 -10.512 1.349 4.357 16 1HG ARG 2 HG2 ARG 2 -11.493 3.592 3.989 17 2HG ARG 2 HG1 ARG 2 -12.932 2.839 3.298 18 1HD ARG 2 HD2 ARG 2 -13.319 1.642 5.429 19 2HD ARG 2 HD1 ARG 2 -11.900 2.422 6.119 20 HE ARG 2 HE ARG 2 -13.149 4.370 6.366 21 1HH1 ARG 2 HH21 ARG 2 -14.690 2.178 4.174 22 2HH1 ARG 2 HH22 ARG 2 -16.192 3.041 4.150 23 1HH2 ARG 2 HH11 ARG 2 -15.138 5.473 6.386 24 2HH2 ARG 2 HH12 ARG 2 -16.445 4.905 5.402 25 H ILE 3 HN ILE 3 -8.175 1.851 2.274 26 HA ILE 3 HA ILE 3 -7.710 -1.003 1.539 27 HB ILE 3 HB ILE 3 -5.919 1.400 1.073 28 1HG1 ILE 3 HG12 ILE 3 -7.876 1.623 -0.337 29 2HG1 ILE 3 HG11 ILE 3 -6.540 1.062 -1.337 30 1HG2 ILE 3 HG21 ILE 3 -4.850 -0.305 -0.535 31 2HG2 ILE 3 HG22 ILE 3 -5.755 -1.527 0.359 32 3HG2 ILE 3 HG23 ILE 3 -4.561 -0.528 1.190 33 1HD1 ILE 3 HD11 ILE 3 -8.943 -0.455 -0.370 34 2HD1 ILE 3 HD12 ILE 3 -7.467 -1.323 -0.789 35 3HD1 ILE 3 HD13 ILE 3 -8.287 -0.343 -2.001 36 H GLU 4 HN GLU 4 -6.737 -2.158 3.140 37 HA GLU 4 HA GLU 4 -5.060 -0.699 5.131 38 1HB GLU 4 HB2 GLU 4 -7.233 -1.402 6.099 39 2HB GLU 4 HB1 GLU 4 -6.864 -3.075 5.685 40 1HG GLU 4 HG2 GLU 4 -4.858 -3.000 7.112 41 2HG GLU 4 HG1 GLU 4 -5.197 -1.315 7.507 42 H VAL 5 HN VAL 5 -3.069 -1.387 5.382 43 HA VAL 5 HA VAL 5 -2.315 -4.071 4.329 44 HB VAL 5 HB VAL 5 -0.650 -1.546 4.404 45 1HG1 VAL 5 HG11 VAL 5 0.838 -3.373 4.590 46 2HG1 VAL 5 HG12 VAL 5 0.815 -3.017 2.864 47 3HG1 VAL 5 HG13 VAL 5 -0.115 -4.375 3.495 48 1HG2 VAL 5 HG21 VAL 5 -1.181 -1.153 2.186 49 2HG2 VAL 5 HG22 VAL 5 -2.678 -1.961 2.644 50 3HG2 VAL 5 HG23 VAL 5 -1.406 -2.859 1.821 51 H THR 6 HN THR 6 -1.264 -5.434 5.676 52 HA THR 6 HA THR 6 -0.196 -4.342 8.224 53 HB THR 6 HB THR 6 -0.768 -6.593 9.206 54 HG1 THR 6 HG1 THR 6 -2.733 -7.217 7.588 55 1HG2 THR 6 HG21 THR 6 -3.243 -5.220 8.162 56 2HG2 THR 6 HG22 THR 6 -2.196 -4.422 9.336 57 3HG2 THR 6 HG23 THR 6 -2.976 -5.949 9.744 58 H ILE 7 HN ILE 7 1.784 -4.905 8.794 59 HA ILE 7 HA ILE 7 3.300 -6.792 7.077 60 HB ILE 7 HB ILE 7 3.949 -4.139 8.325 61 1HG1 ILE 7 HG12 ILE 7 4.658 -5.232 5.590 62 2HG1 ILE 7 HG11 ILE 7 3.098 -4.482 5.925 63 1HG2 ILE 7 HG21 ILE 7 5.899 -5.198 9.055 64 2HG2 ILE 7 HG22 ILE 7 6.386 -4.804 7.407 65 3HG2 ILE 7 HG23 ILE 7 5.831 -6.435 7.796 66 1HD1 ILE 7 HD11 ILE 7 5.693 -3.098 6.595 67 2HD1 ILE 7 HD12 ILE 7 4.086 -2.390 6.431 68 3HD1 ILE 7 HD13 ILE 7 4.952 -2.954 5.002 69 H ALA 8 HN ALA 8 4.337 -8.444 8.083 70 HA ALA 8 HA ALA 8 3.800 -9.078 10.787 71 1HB ALA 8 HB1 ALA 8 5.975 -10.208 9.022 72 2HB ALA 8 HB2 ALA 8 4.285 -10.705 8.942 73 3HB ALA 8 HB3 ALA 8 5.220 -10.990 10.410 74 H LYS 9 HN LYS 9 4.811 -8.783 12.517 75 HA LYS 9 HA LYS 9 6.800 -6.834 12.860 76 1HB LYS 9 HB2 LYS 9 5.756 -8.986 14.722 77 2HB LYS 9 HB1 LYS 9 6.969 -7.826 15.255 78 1HG LYS 9 HG2 LYS 9 5.361 -5.977 14.806 79 2HG LYS 9 HG1 LYS 9 4.156 -7.167 14.296 80 1HD LYS 9 HD2 LYS 9 4.246 -8.201 16.531 81 2HD LYS 9 HD1 LYS 9 5.440 -7.002 17.033 82 1HE LYS 9 HE2 LYS 9 2.713 -6.244 15.964 83 2HE LYS 9 HE1 LYS 9 3.032 -6.479 17.682 84 1HZ LYS 9 HZ1 LYS 9 4.988 -4.811 16.442 85 2HZ LYS 9 HZ2 LYS 9 4.030 -4.517 17.814 86 3HZ LYS 9 HZ3 LYS 9 3.425 -4.179 16.262 87 H THR 10 HN THR 10 7.121 -10.222 12.218 88 HA THR 10 HA THR 10 9.748 -10.599 13.180 89 HB THR 10 HB THR 10 9.836 -12.364 11.361 90 HG1 THR 10 HG1 THR 10 8.472 -12.053 9.818 91 1HG2 THR 10 HG21 THR 10 7.309 -12.473 13.023 92 2HG2 THR 10 HG22 THR 10 8.917 -12.713 13.705 93 3HG2 THR 10 HG23 THR 10 8.303 -13.824 12.483 94 H SER 11 HN SER 11 8.481 -8.602 10.732 95 HA SER 11 HA SER 11 11.160 -8.290 9.472 96 1HB SER 11 HB2 SER 11 9.963 -7.611 7.435 97 2HB SER 11 HB1 SER 11 9.510 -9.242 7.926 98 HG SER 11 HG SER 11 7.570 -8.394 7.756 99 HA PRO 12 HA PRO 12 10.016 -4.149 11.291 100 1HB PRO 12 HB2 PRO 12 12.681 -3.969 12.388 101 2HB PRO 12 HB1 PRO 12 11.165 -4.158 13.287 102 1HG PRO 12 HG2 PRO 12 13.160 -6.075 13.128 103 2HG PRO 12 HG1 PRO 12 11.472 -6.398 13.553 104 1HD PRO 12 HD2 PRO 12 12.873 -6.832 10.935 105 2HD PRO 12 HD1 PRO 12 11.584 -7.781 11.700 106 H LEU 13 HN LEU 13 10.112 -2.344 10.298 107 HA LEU 13 HA LEU 13 12.218 -2.007 8.244 108 1HB LEU 13 HB2 LEU 13 9.567 -0.562 8.434 109 2HB LEU 13 HB1 LEU 13 10.656 -0.632 7.054 110 HG LEU 13 HG LEU 13 9.037 -2.919 8.211 111 1HD1 LEU 13 HD11 LEU 13 7.953 -2.942 6.037 112 2HD1 LEU 13 HD12 LEU 13 9.045 -1.699 5.429 113 3HD1 LEU 13 HD13 LEU 13 7.866 -1.303 6.681 114 1HD2 LEU 13 HD21 LEU 13 11.091 -3.939 7.580 115 2HD2 LEU 13 HD22 LEU 13 11.278 -2.895 6.174 116 3HD2 LEU 13 HD23 LEU 13 10.051 -4.160 6.179 117 HA PRO 14 HA PRO 14 14.035 1.226 10.566 118 1HB PRO 14 HB2 PRO 14 14.189 3.224 8.457 119 2HB PRO 14 HB1 PRO 14 15.489 2.198 9.084 120 1HG PRO 14 HG2 PRO 14 13.957 1.913 6.626 121 2HG PRO 14 HG1 PRO 14 15.428 1.069 7.127 122 1HD PRO 14 HD2 PRO 14 12.880 -0.087 6.957 123 2HD PRO 14 HD1 PRO 14 14.252 -0.768 7.846 124 H ALA 15 HN ALA 15 13.656 3.090 11.620 125 HA ALA 15 HA ALA 15 11.041 3.767 12.265 126 1HB ALA 15 HB1 ALA 15 11.975 5.313 13.745 127 2HB ALA 15 HB2 ALA 15 13.353 5.635 12.691 128 3HB ALA 15 HB3 ALA 15 13.237 4.097 13.546 129 H GLY 16 HN GLY 16 10.924 4.106 9.494 130 1HA GLY 16 HA2 GLY 16 9.872 6.749 9.262 131 2HA GLY 16 HA1 GLY 16 11.412 6.653 8.446 132 H ALA 17 HN ALA 17 10.765 3.704 8.029 133 HA ALA 17 HA ALA 17 9.880 3.975 5.327 134 1HB ALA 17 HB1 ALA 17 11.425 2.251 5.643 135 2HB ALA 17 HB2 ALA 17 9.896 1.377 5.525 136 3HB ALA 17 HB3 ALA 17 10.622 1.685 7.105 137 H ILE 18 HN ILE 18 8.097 2.714 8.119 138 HA ILE 18 HA ILE 18 5.956 1.790 6.568 139 HB ILE 18 HB ILE 18 6.046 2.861 9.389 140 1HG1 ILE 18 HG12 ILE 18 7.275 0.673 8.557 141 2HG1 ILE 18 HG11 ILE 18 6.365 0.654 10.055 142 1HG2 ILE 18 HG21 ILE 18 3.771 3.102 8.798 143 2HG2 ILE 18 HG22 ILE 18 3.848 1.525 9.582 144 3HG2 ILE 18 HG23 ILE 18 3.777 1.633 7.823 145 1HD1 ILE 18 HD11 ILE 18 5.973 -1.298 8.435 146 2HD1 ILE 18 HD12 ILE 18 5.090 -0.145 7.439 147 3HD1 ILE 18 HD13 ILE 18 4.540 -0.498 9.075 148 H ASP 19 HN ASP 19 6.444 4.932 8.161 149 HA ASP 19 HA ASP 19 4.048 6.110 7.177 150 1HB ASP 19 HB2 ASP 19 6.680 7.362 8.042 151 2HB ASP 19 HB1 ASP 19 5.247 8.296 7.612 152 H ALA 20 HN ALA 20 7.292 5.836 5.783 153 HA ALA 20 HA ALA 20 6.694 7.526 3.604 154 1HB ALA 20 HB1 ALA 20 8.771 6.928 2.722 155 2HB ALA 20 HB2 ALA 20 8.671 5.276 3.337 156 3HB ALA 20 HB3 ALA 20 9.005 6.607 4.441 157 H LEU 21 HN LEU 21 6.397 4.035 4.057 158 HA LEU 21 HA LEU 21 5.688 3.329 1.457 159 1HB LEU 21 HB2 LEU 21 6.391 1.665 3.027 160 2HB LEU 21 HB1 LEU 21 5.127 2.113 4.166 161 HG LEU 21 HG LEU 21 3.432 1.324 2.579 162 1HD1 LEU 21 HD11 LEU 21 5.857 0.640 0.909 163 2HD1 LEU 21 HD12 LEU 21 4.483 1.638 0.445 164 3HD1 LEU 21 HD13 LEU 21 4.281 -0.099 0.639 165 1HD2 LEU 21 HD21 LEU 21 5.539 -0.804 2.962 166 2HD2 LEU 21 HD22 LEU 21 3.789 -1.015 2.936 167 3HD2 LEU 21 HD23 LEU 21 4.556 -0.183 4.288 168 H ALA 22 HN ALA 22 3.673 4.151 4.253 169 HA ALA 22 HA ALA 22 1.148 3.864 2.978 170 1HB ALA 22 HB1 ALA 22 1.732 5.864 5.156 171 2HB ALA 22 HB2 ALA 22 1.655 4.135 5.497 172 3HB ALA 22 HB3 ALA 22 0.241 4.971 4.853 173 H GLY 23 HN GLY 23 3.387 6.610 3.139 174 1HA GLY 23 HA2 GLY 23 1.596 8.445 1.865 175 2HA GLY 23 HA1 GLY 23 3.360 8.594 2.054 176 H GLU 24 HN GLU 24 4.228 6.363 0.562 177 HA GLU 24 HA GLU 24 3.891 7.364 -2.058 178 1HB GLU 24 HB2 GLU 24 5.829 5.876 -1.019 179 2HB GLU 24 HB1 GLU 24 4.829 4.536 -1.575 180 1HG GLU 24 HG2 GLU 24 5.819 6.817 -3.316 181 2HG GLU 24 HG1 GLU 24 6.488 5.187 -3.291 182 H LEU 25 HN LEU 25 2.416 4.636 -0.355 183 HA LEU 25 HA LEU 25 1.072 3.583 -2.597 184 1HB LEU 25 HB2 LEU 25 0.447 3.398 0.345 185 2HB LEU 25 HB1 LEU 25 -0.488 2.552 -0.884 186 HG LEU 25 HG LEU 25 2.511 2.281 -0.553 187 1HD1 LEU 25 HD11 LEU 25 1.938 0.051 0.447 188 2HD1 LEU 25 HD12 LEU 25 0.243 0.538 0.453 189 3HD1 LEU 25 HD13 LEU 25 1.414 1.413 1.435 190 1HD2 LEU 25 HD21 LEU 25 0.456 1.045 -2.373 191 2HD2 LEU 25 HD22 LEU 25 1.798 0.037 -1.834 192 3HD2 LEU 25 HD23 LEU 25 2.119 1.520 -2.722 193 H SER 26 HN SER 26 0.047 5.992 -0.222 194 HA SER 26 HA SER 26 -2.622 6.223 -1.086 195 1HB SER 26 HB2 SER 26 -0.812 8.297 0.166 196 2HB SER 26 HB1 SER 26 -2.560 8.441 0.013 197 HG SER 26 HG SER 26 -2.710 6.492 1.243 198 H ARG 27 HN ARG 27 0.301 8.044 -2.089 199 HA ARG 27 HA ARG 27 -1.048 9.764 -3.885 200 1HB ARG 27 HB2 ARG 27 1.802 8.736 -3.861 201 2HB ARG 27 HB1 ARG 27 1.214 9.954 -4.996 202 1HG ARG 27 HG2 ARG 27 0.534 11.386 -3.091 203 2HG ARG 27 HG1 ARG 27 1.165 10.179 -1.971 204 1HD ARG 27 HD2 ARG 27 3.414 10.438 -2.985 205 2HD ARG 27 HD1 ARG 27 2.772 11.681 -4.057 206 HE ARG 27 HE ARG 27 2.158 12.423 -1.420 207 1HH1 ARG 27 HH21 ARG 27 4.449 12.800 -3.891 208 2HH1 ARG 27 HH22 ARG 27 5.631 13.592 -2.906 209 1HH2 ARG 27 HH11 ARG 27 3.896 13.086 0.052 210 2HH2 ARG 27 HH12 ARG 27 5.319 13.755 -0.674 211 H ARG 28 HN ARG 28 0.352 6.534 -4.329 212 HA ARG 28 HA ARG 28 -0.107 6.353 -7.107 213 1HB ARG 28 HB2 ARG 28 0.055 4.230 -4.960 214 2HB ARG 28 HB1 ARG 28 -0.073 3.862 -6.677 215 1HG ARG 28 HG2 ARG 28 2.088 5.712 -5.676 216 2HG ARG 28 HG1 ARG 28 2.299 3.967 -5.596 217 1HD ARG 28 HD2 ARG 28 1.724 5.551 -8.124 218 2HD ARG 28 HD1 ARG 28 3.276 4.873 -7.664 219 HE ARG 28 HE ARG 28 1.381 2.800 -7.655 220 1HH1 ARG 28 HH21 ARG 28 2.333 5.141 -9.982 221 2HH1 ARG 28 HH22 ARG 28 2.535 3.999 -11.268 222 1HH2 ARG 28 HH11 ARG 28 1.914 1.235 -9.269 223 2HH2 ARG 28 HH12 ARG 28 2.297 1.788 -10.865 224 H ILE 29 HN ILE 29 -2.127 5.619 -4.318 225 HA ILE 29 HA ILE 29 -4.251 4.396 -5.712 226 HB ILE 29 HB ILE 29 -4.102 5.784 -3.038 227 1HG1 ILE 29 HG12 ILE 29 -2.924 3.499 -3.637 228 2HG1 ILE 29 HG11 ILE 29 -3.809 3.649 -2.125 229 1HG2 ILE 29 HG21 ILE 29 -6.323 4.426 -2.685 230 2HG2 ILE 29 HG22 ILE 29 -6.450 4.526 -4.442 231 3HG2 ILE 29 HG23 ILE 29 -6.389 6.001 -3.478 232 1HD1 ILE 29 HD11 ILE 29 -5.074 2.547 -4.651 233 2HD1 ILE 29 HD12 ILE 29 -5.704 2.469 -3.008 234 3HD1 ILE 29 HD13 ILE 29 -4.280 1.533 -3.451 235 H GLN 30 HN GLN 30 -3.771 7.735 -4.654 236 HA GLN 30 HA GLN 30 -6.273 8.762 -5.563 237 1HB GLN 30 HB2 GLN 30 -4.787 9.930 -3.938 238 2HB GLN 30 HB1 GLN 30 -3.626 10.205 -5.233 239 1HG GLN 30 HG2 GLN 30 -5.320 11.502 -6.480 240 2HG GLN 30 HG1 GLN 30 -6.483 11.229 -5.180 241 1HE2 GLN 30 HE21 GLN 30 -5.407 13.857 -6.057 242 2HE2 GLN 30 HE22 GLN 30 -4.620 14.514 -4.704 243 H TYR 31 HN TYR 31 -3.122 8.550 -7.262 244 HA TYR 31 HA TYR 31 -4.082 9.929 -9.550 245 1HB TYR 31 HB2 TYR 31 -1.755 8.084 -9.026 246 2HB TYR 31 HB1 TYR 31 -2.136 8.587 -10.672 247 HD1 TYR 31 HD1 TYR 31 -2.087 10.299 -7.313 248 HD2 TYR 31 HD2 TYR 31 -0.782 10.345 -11.407 249 HE1 TYR 31 HE1 TYR 31 -0.913 12.440 -6.914 250 HE2 TYR 31 HE2 TYR 31 0.388 12.493 -11.004 251 HH TYR 31 HH TYR 31 0.198 14.126 -7.848 252 H ALA 32 HN ALA 32 -4.069 6.533 -8.586 253 HA ALA 32 HA ALA 32 -4.995 5.523 -11.075 254 1HB ALA 32 HB1 ALA 32 -3.899 3.976 -9.691 255 2HB ALA 32 HB2 ALA 32 -5.592 3.495 -9.601 256 3HB ALA 32 HB3 ALA 32 -4.865 4.414 -8.282 257 H PHE 33 HN PHE 33 -6.583 6.580 -8.122 258 HA PHE 33 HA PHE 33 -9.251 6.183 -9.387 259 1HB PHE 33 HB2 PHE 33 -8.437 6.004 -6.485 260 2HB PHE 33 HB1 PHE 33 -10.104 5.976 -7.061 261 HD1 PHE 33 HD1 PHE 33 -10.940 4.104 -8.437 262 HD2 PHE 33 HD2 PHE 33 -6.943 4.129 -6.866 263 HE1 PHE 33 HE1 PHE 33 -10.727 1.687 -8.944 264 HE2 PHE 33 HE2 PHE 33 -6.729 1.710 -7.373 265 HZ PHE 33 HZ PHE 33 -8.622 0.490 -8.413 266 HA PRO 34 HA PRO 34 -8.743 10.702 -8.672 267 1HB PRO 34 HB2 PRO 34 -10.326 11.178 -11.059 268 2HB PRO 34 HB1 PRO 34 -8.615 11.533 -10.774 269 1HG PRO 34 HG2 PRO 34 -9.590 9.582 -12.492 270 2HG PRO 34 HG1 PRO 34 -7.942 9.658 -11.852 271 1HD PRO 34 HD2 PRO 34 -10.199 7.893 -11.023 272 2HD PRO 34 HD1 PRO 34 -8.445 7.608 -10.952 273 H ASP 35 HN ASP 35 -11.582 8.817 -9.445 274 HA ASP 35 HA ASP 35 -13.469 10.836 -8.520 275 1HB ASP 35 HB2 ASP 35 -13.797 8.111 -9.754 276 2HB ASP 35 HB1 ASP 35 -15.158 9.077 -9.187 277 H ASN 36 HN ASN 36 -11.811 8.218 -6.934 278 HA ASN 36 HA ASN 36 -14.031 8.057 -4.951 279 1HB ASN 36 HB2 ASN 36 -12.134 5.941 -5.917 280 2HB ASN 36 HB1 ASN 36 -13.143 5.756 -4.486 281 1HD2 ASN 36 HD21 ASN 36 -13.391 4.171 -6.948 282 2HD2 ASN 36 HD22 ASN 36 -14.939 4.484 -7.572 283 H GLU 37 HN GLU 37 -13.434 8.606 -2.764 284 HA GLU 37 HA GLU 37 -10.894 9.520 -2.078 285 1HB GLU 37 HB2 GLU 37 -12.963 10.113 -0.961 286 2HB GLU 37 HB1 GLU 37 -13.199 8.447 -0.456 287 1HG GLU 37 HG2 GLU 37 -11.140 8.562 0.916 288 2HG GLU 37 HG1 GLU 37 -10.888 10.236 0.417 289 H GLY 38 HN GLY 38 -9.101 8.276 -1.659 290 1HA GLY 38 HA2 GLY 38 -9.448 5.399 -0.895 291 2HA GLY 38 HA1 GLY 38 -8.102 5.913 -1.668 292 H HIS 39 HN HIS 39 -8.897 4.914 1.346 293 HA HIS 39 HA HIS 39 -6.993 6.779 2.617 294 1HB HIS 39 HB2 HIS 39 -9.267 5.153 3.788 295 2HB HIS 39 HB1 HIS 39 -8.036 5.941 4.777 296 HD1 HIS 39 HD1 HIS 39 -7.751 8.642 4.162 297 HD2 HIS 39 HD2 HIS 39 -11.389 6.830 3.234 298 HE1 HIS 39 HE1 HIS 39 -9.430 10.516 3.869 299 H VAL 40 HN VAL 40 -5.035 5.782 3.031 300 HA VAL 40 HA VAL 40 -4.940 2.839 3.044 301 HB VAL 40 HB VAL 40 -2.801 4.858 2.362 302 1HG1 VAL 40 HG11 VAL 40 -1.663 2.738 1.515 303 2HG1 VAL 40 HG12 VAL 40 -2.870 1.837 2.429 304 3HG1 VAL 40 HG13 VAL 40 -1.752 2.911 3.267 305 1HG2 VAL 40 HG21 VAL 40 -4.162 2.881 0.517 306 2HG2 VAL 40 HG22 VAL 40 -3.187 4.283 0.085 307 3HG2 VAL 40 HG23 VAL 40 -4.804 4.508 0.752 308 H SER 41 HN SER 41 -4.285 1.852 4.824 309 HA SER 41 HA SER 41 -2.809 3.403 6.875 310 1HB SER 41 HB2 SER 41 -5.028 1.396 7.375 311 2HB SER 41 HB1 SER 41 -4.011 2.092 8.633 312 HG SER 41 HG SER 41 -6.191 3.113 7.490 313 H VAL 42 HN VAL 42 -1.139 2.428 7.868 314 HA VAL 42 HA VAL 42 -0.581 -0.387 7.166 315 HB VAL 42 HB VAL 42 1.483 1.842 7.221 316 1HG1 VAL 42 HG11 VAL 42 2.419 -0.288 7.900 317 2HG1 VAL 42 HG12 VAL 42 2.956 0.059 6.256 318 3HG1 VAL 42 HG13 VAL 42 1.659 -1.103 6.532 319 1HG2 VAL 42 HG21 VAL 42 1.511 1.852 4.873 320 2HG2 VAL 42 HG22 VAL 42 -0.209 1.727 5.223 321 3HG2 VAL 42 HG23 VAL 42 0.701 0.294 4.753 322 H ARG 43 HN ARG 43 -0.201 -1.619 8.858 323 HA ARG 43 HA ARG 43 0.993 -0.447 11.252 324 1HB ARG 43 HB2 ARG 43 -1.565 -2.056 11.465 325 2HB ARG 43 HB1 ARG 43 -0.744 -1.164 12.745 326 1HG ARG 43 HG2 ARG 43 -1.166 0.950 11.452 327 2HG ARG 43 HG1 ARG 43 -2.135 0.000 10.322 328 1HD ARG 43 HD2 ARG 43 -3.597 -0.710 12.187 329 2HD ARG 43 HD1 ARG 43 -2.644 0.264 13.299 330 HE ARG 43 HE ARG 43 -3.609 1.847 11.126 331 1HH1 ARG 43 HH21 ARG 43 -5.151 -0.092 13.462 332 2HH1 ARG 43 HH22 ARG 43 -6.171 1.167 14.074 333 1HH2 ARG 43 HH11 ARG 43 -4.676 3.662 12.187 334 2HH2 ARG 43 HH12 ARG 43 -5.902 3.291 13.352 335 H TYR 44 HN TYR 44 1.680 -2.156 12.815 336 HA TYR 44 HA TYR 44 2.559 -4.563 11.377 337 1HB TYR 44 HB2 TYR 44 3.057 -3.717 14.240 338 2HB TYR 44 HB1 TYR 44 3.775 -5.092 13.422 339 HD1 TYR 44 HD1 TYR 44 3.733 -1.433 13.697 340 HD2 TYR 44 HD2 TYR 44 5.468 -4.823 11.729 341 HE1 TYR 44 HE1 TYR 44 5.570 0.001 12.865 342 HE2 TYR 44 HE2 TYR 44 7.313 -3.401 10.880 343 HH TYR 44 HH TYR 44 7.754 -1.034 10.437 344 H ALA 45 HN ALA 45 1.940 -6.607 11.761 345 HA ALA 45 HA ALA 45 -0.078 -7.147 13.828 346 1HB ALA 45 HB1 ALA 45 -1.137 -6.612 11.528 347 2HB ALA 45 HB2 ALA 45 -1.618 -8.113 12.317 348 3HB ALA 45 HB3 ALA 45 -0.443 -8.146 11.001 349 H ALA 46 HN ALA 46 -0.365 -9.589 14.054 350 HA ALA 46 HA ALA 46 2.164 -10.798 14.338 351 1HB ALA 46 HB1 ALA 46 0.261 -11.562 15.672 352 2HB ALA 46 HB2 ALA 46 0.904 -12.911 14.735 353 3HB ALA 46 HB3 ALA 46 -0.573 -12.100 14.214 354 H ALA 47 HN ALA 47 0.011 -10.653 11.600 355 HA ALA 47 HA ALA 47 2.014 -12.189 10.062 356 1HB ALA 47 HB1 ALA 47 -0.937 -12.617 9.630 357 2HB ALA 47 HB2 ALA 47 -0.032 -13.583 10.794 358 3HB ALA 47 HB3 ALA 47 0.412 -13.615 9.087 359 H ASN 48 HN ASN 48 2.138 -11.759 7.849 360 HA ASN 48 HA ASN 48 1.466 -9.066 7.051 361 1HB ASN 48 HB2 ASN 48 2.374 -9.802 4.853 362 2HB ASN 48 HB1 ASN 48 3.482 -10.115 6.188 363 1HD2 ASN 48 HD21 ASN 48 3.969 -11.664 4.012 364 2HD2 ASN 48 HD22 ASN 48 3.391 -13.244 4.230 365 H ASN 49 HN ASN 49 -0.433 -8.432 6.131 366 HA ASN 49 HA ASN 49 -2.032 -10.304 4.551 367 1HB ASN 49 HB2 ASN 49 -3.143 -8.986 7.035 368 2HB ASN 49 HB1 ASN 49 -4.067 -9.905 5.854 369 1HD2 ASN 49 HD21 ASN 49 -2.535 -12.140 5.377 370 2HD2 ASN 49 HD22 ASN 49 -2.263 -13.001 6.815 371 H LEU 50 HN LEU 50 -3.553 -9.263 3.200 372 HA LEU 50 HA LEU 50 -3.471 -6.302 3.151 373 1HB LEU 50 HB2 LEU 50 -2.120 -7.350 1.288 374 2HB LEU 50 HB1 LEU 50 -3.587 -8.163 0.755 375 HG LEU 50 HG LEU 50 -4.676 -5.848 0.613 376 1HD1 LEU 50 HD11 LEU 50 -3.275 -4.418 1.846 377 2HD1 LEU 50 HD12 LEU 50 -2.884 -4.023 0.177 378 3HD1 LEU 50 HD13 LEU 50 -1.807 -5.059 1.110 379 1HD2 LEU 50 HD21 LEU 50 -3.949 -7.084 -1.392 380 2HD2 LEU 50 HD22 LEU 50 -2.316 -6.440 -1.205 381 3HD2 LEU 50 HD23 LEU 50 -3.654 -5.357 -1.585 382 H SER 51 HN SER 51 -5.542 -5.521 3.455 383 HA SER 51 HA SER 51 -7.810 -7.252 2.630 384 1HB SER 51 HB2 SER 51 -8.997 -5.958 4.536 385 2HB SER 51 HB1 SER 51 -7.894 -7.261 4.970 386 HG SER 51 HG SER 51 -6.454 -5.071 4.705 387 H VAL 52 HN VAL 52 -9.190 -6.288 1.201 388 HA VAL 52 HA VAL 52 -9.115 -3.349 0.916 389 HB VAL 52 HB VAL 52 -9.453 -5.448 -1.254 390 1HG1 VAL 52 HG11 VAL 52 -10.896 -3.608 -1.783 391 2HG1 VAL 52 HG12 VAL 52 -9.445 -3.411 -2.765 392 3HG1 VAL 52 HG13 VAL 52 -9.670 -2.432 -1.319 393 1HG2 VAL 52 HG21 VAL 52 -7.212 -3.599 -0.441 394 2HG2 VAL 52 HG22 VAL 52 -7.376 -4.089 -2.127 395 3HG2 VAL 52 HG23 VAL 52 -7.144 -5.306 -0.874 396 H ILE 53 HN ILE 53 -11.051 -2.399 1.329 397 HA ILE 53 HA ILE 53 -13.501 -4.062 1.093 398 HB ILE 53 HB ILE 53 -12.941 -1.802 3.039 399 1HG1 ILE 53 HG12 ILE 53 -13.167 -3.684 4.745 400 2HG1 ILE 53 HG11 ILE 53 -13.021 -4.822 3.412 401 1HG2 ILE 53 HG21 ILE 53 -15.310 -3.620 2.564 402 2HG2 ILE 53 HG22 ILE 53 -15.268 -1.858 2.500 403 3HG2 ILE 53 HG23 ILE 53 -15.099 -2.688 4.047 404 1HD1 ILE 53 HD11 ILE 53 -10.774 -4.545 3.302 405 2HD1 ILE 53 HD12 ILE 53 -10.915 -3.754 4.868 406 3HD1 ILE 53 HD13 ILE 53 -10.885 -2.787 3.398 407 H GLY 54 HN GLY 54 -15.024 -3.305 -0.260 408 1HA GLY 54 HA2 GLY 54 -16.432 -1.651 -1.178 409 2HA GLY 54 HA1 GLY 54 -15.252 -0.422 -0.741 410 H ALA 55 HN ALA 55 -13.906 -3.157 -2.351 411 HA ALA 55 HA ALA 55 -13.841 -1.616 -4.896 412 1HB ALA 55 HB1 ALA 55 -11.691 -1.782 -3.395 413 2HB ALA 55 HB2 ALA 55 -11.563 -1.992 -5.140 414 3HB ALA 55 HB3 ALA 55 -11.570 -3.402 -4.080 415 H THR 56 HN THR 56 -13.341 -2.846 -6.799 416 HA THR 56 HA THR 56 -14.803 -5.406 -7.024 417 HB THR 56 HB THR 56 -14.596 -4.933 -9.390 418 HG1 THR 56 HG1 THR 56 -13.418 -2.462 -8.756 419 1HG2 THR 56 HG21 THR 56 -15.419 -2.384 -7.988 420 2HG2 THR 56 HG22 THR 56 -16.396 -3.852 -7.953 421 3HG2 THR 56 HG23 THR 56 -16.065 -3.050 -9.489 422 H LYS 57 HN LYS 57 -13.890 -7.137 -8.079 423 HA LYS 57 HA LYS 57 -11.410 -7.923 -7.115 424 1HB LYS 57 HB2 LYS 57 -13.119 -9.541 -7.825 425 2HB LYS 57 HB1 LYS 57 -12.920 -9.040 -9.502 426 1HG LYS 57 HG2 LYS 57 -10.575 -9.844 -9.464 427 2HG LYS 57 HG1 LYS 57 -10.774 -10.352 -7.783 428 1HD LYS 57 HD2 LYS 57 -12.531 -11.910 -8.418 429 2HD LYS 57 HD1 LYS 57 -12.461 -11.355 -10.089 430 1HE LYS 57 HE2 LYS 57 -11.165 -13.343 -10.063 431 2HE LYS 57 HE1 LYS 57 -9.978 -12.038 -10.033 432 1HZ LYS 57 HZ1 LYS 57 -9.411 -12.472 -7.900 433 2HZ LYS 57 HZ2 LYS 57 -9.929 -14.035 -8.318 434 3HZ LYS 57 HZ3 LYS 57 -10.963 -12.997 -7.460 435 H GLU 58 HN GLU 58 -12.151 -6.528 -10.352 436 HA GLU 58 HA GLU 58 -9.522 -6.941 -11.391 437 1HB GLU 58 HB2 GLU 58 -11.831 -5.148 -12.127 438 2HB GLU 58 HB1 GLU 58 -10.279 -5.047 -12.960 439 1HG GLU 58 HG2 GLU 58 -10.421 -7.407 -13.588 440 2HG GLU 58 HG1 GLU 58 -11.922 -7.591 -12.687 441 H ASP 59 HN ASP 59 -11.063 -4.344 -9.536 442 HA ASP 59 HA ASP 59 -8.954 -2.472 -9.767 443 1HB ASP 59 HB2 ASP 59 -11.055 -2.881 -7.626 444 2HB ASP 59 HB1 ASP 59 -9.911 -1.541 -7.618 445 H LYS 60 HN LYS 60 -9.757 -5.014 -7.469 446 HA LYS 60 HA LYS 60 -7.567 -4.605 -5.722 447 1HB LYS 60 HB2 LYS 60 -9.547 -5.914 -5.049 448 2HB LYS 60 HB1 LYS 60 -9.148 -7.142 -6.248 449 1HG LYS 60 HG2 LYS 60 -7.020 -7.598 -5.089 450 2HG LYS 60 HG1 LYS 60 -7.398 -6.353 -3.897 451 1HD LYS 60 HD2 LYS 60 -9.323 -7.586 -3.118 452 2HD LYS 60 HD1 LYS 60 -9.171 -8.752 -4.433 453 1HE LYS 60 HE2 LYS 60 -8.264 -9.671 -2.331 454 2HE LYS 60 HE1 LYS 60 -6.992 -9.484 -3.538 455 1HZ LYS 60 HZ1 LYS 60 -7.093 -8.385 -0.987 456 2HZ LYS 60 HZ2 LYS 60 -7.258 -7.092 -2.077 457 3HZ LYS 60 HZ3 LYS 60 -5.915 -8.129 -2.181 458 H GLN 61 HN GLN 61 -7.790 -6.604 -8.673 459 HA GLN 61 HA GLN 61 -5.218 -7.779 -8.301 460 1HB GLN 61 HB2 GLN 61 -6.845 -8.674 -9.939 461 2HB GLN 61 HB1 GLN 61 -6.731 -7.179 -10.867 462 1HG GLN 61 HG2 GLN 61 -4.414 -7.585 -11.385 463 2HG GLN 61 HG1 GLN 61 -4.343 -8.941 -10.258 464 1HE2 GLN 61 HE21 GLN 61 -3.621 -9.458 -12.903 465 2HE2 GLN 61 HE22 GLN 61 -4.832 -10.370 -13.666 466 H ARG 62 HN ARG 62 -6.367 -4.803 -9.930 467 HA ARG 62 HA ARG 62 -3.861 -4.034 -10.923 468 1HB ARG 62 HB2 ARG 62 -5.946 -2.958 -11.675 469 2HB ARG 62 HB1 ARG 62 -6.205 -2.299 -10.063 470 1HG ARG 62 HG2 ARG 62 -4.224 -0.917 -10.243 471 2HG ARG 62 HG1 ARG 62 -3.777 -1.671 -11.774 472 1HD ARG 62 HD2 ARG 62 -4.841 0.460 -12.243 473 2HD ARG 62 HD1 ARG 62 -5.921 -0.836 -12.753 474 HE ARG 62 HE ARG 62 -6.528 -0.108 -10.085 475 1HH1 ARG 62 HH11 ARG 62 -7.585 0.155 -13.264 476 2HH1 ARG 62 HH12 ARG 62 -8.589 1.543 -13.010 477 1HH2 ARG 62 HH21 ARG 62 -7.466 2.095 -9.777 478 2HH2 ARG 62 HH22 ARG 62 -8.523 2.641 -11.036 479 H ILE 63 HN ILE 63 -5.457 -3.312 -7.848 480 HA ILE 63 HA ILE 63 -3.402 -1.668 -6.846 481 HB ILE 63 HB ILE 63 -5.457 -3.322 -5.413 482 1HG1 ILE 63 HG12 ILE 63 -5.226 -0.319 -5.635 483 2HG1 ILE 63 HG11 ILE 63 -6.090 -1.283 -6.833 484 1HG2 ILE 63 HG21 ILE 63 -3.610 -3.068 -3.858 485 2HG2 ILE 63 HG22 ILE 63 -4.864 -1.917 -3.405 486 3HG2 ILE 63 HG23 ILE 63 -3.439 -1.365 -4.285 487 1HD1 ILE 63 HD11 ILE 63 -7.610 -0.405 -5.076 488 2HD1 ILE 63 HD12 ILE 63 -6.681 -1.279 -3.859 489 3HD1 ILE 63 HD13 ILE 63 -7.572 -2.167 -5.095 490 H SER 64 HN SER 64 -3.818 -5.164 -6.605 491 HA SER 64 HA SER 64 -1.543 -5.604 -4.962 492 1HB SER 64 HB2 SER 64 -1.641 -7.892 -5.675 493 2HB SER 64 HB1 SER 64 -3.310 -7.332 -5.608 494 HG SER 64 HG SER 64 -3.438 -7.461 -7.717 495 H GLU 65 HN GLU 65 -1.943 -5.341 -8.540 496 HA GLU 65 HA GLU 65 0.749 -5.856 -9.173 497 1HB GLU 65 HB2 GLU 65 -1.380 -4.230 -10.599 498 2HB GLU 65 HB1 GLU 65 0.202 -4.585 -11.296 499 1HG GLU 65 HG2 GLU 65 -1.688 -6.728 -10.291 500 2HG GLU 65 HG1 GLU 65 -1.640 -6.196 -11.970 501 H ILE 66 HN ILE 66 -0.955 -2.833 -8.402 502 HA ILE 66 HA ILE 66 1.199 -1.085 -8.848 503 HB ILE 66 HB ILE 66 -1.188 -0.898 -7.007 504 1HG1 ILE 66 HG12 ILE 66 -0.486 0.562 -9.572 505 2HG1 ILE 66 HG11 ILE 66 -1.483 -0.890 -9.515 506 1HG2 ILE 66 HG21 ILE 66 0.389 0.536 -5.965 507 2HG2 ILE 66 HG22 ILE 66 -0.543 1.602 -7.012 508 3HG2 ILE 66 HG23 ILE 66 1.057 1.058 -7.511 509 1HD1 ILE 66 HD11 ILE 66 -2.117 1.630 -7.959 510 2HD1 ILE 66 HD12 ILE 66 -3.155 0.224 -8.177 511 3HD1 ILE 66 HD13 ILE 66 -2.792 1.271 -9.547 512 H LEU 67 HN LEU 67 0.188 -2.765 -5.904 513 HA LEU 67 HA LEU 67 2.175 -1.707 -4.205 514 1HB LEU 67 HB2 LEU 67 0.346 -2.901 -3.189 515 2HB LEU 67 HB1 LEU 67 0.647 -4.326 -4.175 516 HG LEU 67 HG LEU 67 2.892 -4.569 -2.989 517 1HD1 LEU 67 HD11 LEU 67 3.319 -2.409 -2.081 518 2HD1 LEU 67 HD12 LEU 67 2.884 -3.391 -0.688 519 3HD1 LEU 67 HD13 LEU 67 1.700 -2.288 -1.389 520 1HD2 LEU 67 HD21 LEU 67 0.366 -4.630 -1.308 521 2HD2 LEU 67 HD22 LEU 67 1.863 -5.483 -0.928 522 3HD2 LEU 67 HD23 LEU 67 0.941 -5.918 -2.368 523 H GLN 68 HN GLN 68 2.145 -4.481 -6.370 524 HA GLN 68 HA GLN 68 4.721 -5.439 -5.656 525 1HB GLN 68 HB2 GLN 68 3.124 -6.789 -6.967 526 2HB GLN 68 HB1 GLN 68 3.262 -5.644 -8.304 527 1HG GLN 68 HG2 GLN 68 5.589 -6.163 -8.614 528 2HG GLN 68 HG1 GLN 68 5.632 -7.113 -7.128 529 1HE2 GLN 68 HE21 GLN 68 6.436 -8.427 -9.431 530 2HE2 GLN 68 HE22 GLN 68 5.244 -9.529 -9.926 531 H GLU 69 HN GLU 69 3.719 -3.241 -8.347 532 HA GLU 69 HA GLU 69 6.310 -2.809 -9.281 533 1HB GLU 69 HB2 GLU 69 3.864 -1.041 -9.427 534 2HB GLU 69 HB1 GLU 69 5.351 -0.747 -10.327 535 1HG GLU 69 HG2 GLU 69 5.151 -2.964 -11.390 536 2HG GLU 69 HG1 GLU 69 3.663 -3.260 -10.492 537 H THR 70 HN THR 70 4.489 -0.872 -6.884 538 HA THR 70 HA THR 70 6.414 1.152 -6.565 539 HB THR 70 HB THR 70 4.532 0.018 -4.529 540 HG1 THR 70 HG1 THR 70 3.244 0.806 -6.027 541 1HG2 THR 70 HG21 THR 70 6.061 2.620 -4.627 542 2HG2 THR 70 HG22 THR 70 6.231 1.339 -3.427 543 3HG2 THR 70 HG23 THR 70 4.750 2.287 -3.496 544 H TRP 71 HN TRP 71 5.891 -1.839 -4.874 545 HA TRP 71 HA TRP 71 7.963 -1.717 -3.055 546 1HB TRP 71 HB2 TRP 71 6.013 -3.223 -3.010 547 2HB TRP 71 HB1 TRP 71 6.697 -4.106 -4.362 548 HD1 TRP 71 HD1 TRP 71 7.500 -6.320 -3.466 549 HE1 TRP 71 HE1 TRP 71 8.905 -7.130 -1.470 550 HE3 TRP 71 HE3 TRP 71 8.078 -1.910 -0.878 551 HZ2 TRP 71 HZ2 TRP 71 10.088 -6.087 0.894 552 HZ3 TRP 71 HZ3 TRP 71 9.337 -1.878 1.240 553 HH2 TRP 71 HH2 TRP 71 10.338 -3.957 2.136 554 H GLU 72 HN GLU 72 7.930 -2.907 -6.354 555 HA GLU 72 HA GLU 72 10.633 -3.831 -6.282 556 1HB GLU 72 HB2 GLU 72 8.708 -3.373 -8.562 557 2HB GLU 72 HB1 GLU 72 10.349 -3.974 -8.805 558 1HG GLU 72 HG2 GLU 72 9.905 -5.887 -7.362 559 2HG GLU 72 HG1 GLU 72 8.299 -5.271 -6.987 560 H SER 73 HN SER 73 9.281 -0.662 -6.744 561 HA SER 73 HA SER 73 11.815 0.239 -8.000 562 1HB SER 73 HB2 SER 73 10.602 2.240 -8.665 563 2HB SER 73 HB1 SER 73 9.702 0.817 -9.178 564 HG SER 73 HG SER 73 8.143 1.772 -8.120 565 H ALA 74 HN ALA 74 11.226 -0.366 -5.079 566 HA ALA 74 HA ALA 74 11.002 1.795 -3.480 567 1HB ALA 74 HB1 ALA 74 11.092 -0.552 -2.780 568 2HB ALA 74 HB2 ALA 74 12.123 0.494 -1.801 569 3HB ALA 74 HB3 ALA 74 12.839 -0.541 -3.037 570 H ASP 75 HN ASP 75 14.043 0.768 -5.014 571 HA ASP 75 HA ASP 75 15.750 2.421 -3.492 572 1HB ASP 75 HB2 ASP 75 17.385 2.080 -5.270 573 2HB ASP 75 HB1 ASP 75 16.554 0.572 -4.892 574 H ASP 76 HN ASP 76 13.540 3.264 -6.035 575 HA ASP 76 HA ASP 76 14.921 5.801 -6.635 576 1HB ASP 76 HB2 ASP 76 12.492 4.444 -7.793 577 2HB ASP 76 HB1 ASP 76 13.019 6.060 -8.259 578 H TRP 77 HN TRP 77 11.734 4.782 -5.310 579 HA TRP 77 HA TRP 77 11.131 7.600 -4.750 580 1HB TRP 77 HB2 TRP 77 8.931 6.959 -4.317 581 2HB TRP 77 HB1 TRP 77 9.447 6.007 -5.693 582 HD1 TRP 77 HD1 TRP 77 9.402 3.387 -5.446 583 HE1 TRP 77 HE1 TRP 77 8.724 1.791 -3.563 584 HE3 TRP 77 HE3 TRP 77 8.999 6.687 -1.460 585 HZ2 TRP 77 HZ2 TRP 77 8.113 1.847 -0.801 586 HZ3 TRP 77 HZ3 TRP 77 8.366 5.830 0.740 587 HH2 TRP 77 HH2 TRP 77 7.928 3.437 1.079 588 H PHE 78 HN PHE 78 12.371 4.918 -2.909 589 HA PHE 78 HA PHE 78 11.529 6.168 -0.373 590 1HB PHE 78 HB2 PHE 78 11.459 3.783 -0.316 591 2HB PHE 78 HB1 PHE 78 13.081 3.653 -0.970 592 HD1 PHE 78 HD1 PHE 78 15.065 4.092 0.390 593 HD2 PHE 78 HD2 PHE 78 11.111 4.523 2.035 594 HE1 PHE 78 HE1 PHE 78 16.024 4.219 2.660 595 HE2 PHE 78 HE2 PHE 78 12.090 4.639 4.310 596 HZ PHE 78 HZ PHE 78 14.538 4.487 4.626 597 H VAL 79 HN VAL 79 12.661 7.541 0.722 598 HA VAL 79 HA VAL 79 15.520 7.954 0.066 599 HB VAL 79 HB VAL 79 13.722 10.146 1.098 600 1HG1 VAL 79 HG11 VAL 79 16.224 10.409 0.864 601 2HG1 VAL 79 HG12 VAL 79 15.280 11.575 -0.062 602 3HG1 VAL 79 HG13 VAL 79 16.023 10.200 -0.876 603 1HG2 VAL 79 HG21 VAL 79 12.437 9.273 -0.762 604 2HG2 VAL 79 HG22 VAL 79 13.888 9.136 -1.760 605 3HG2 VAL 79 HG23 VAL 79 13.269 10.727 -1.324 606 H SER 80 HN SER 80 16.904 8.511 1.954 607 HA SER 80 HA SER 80 15.586 8.362 4.585 608 1HB SER 80 HB2 SER 80 16.303 6.048 4.071 609 2HB SER 80 HB1 SER 80 17.947 6.619 3.793 610 HG SER 80 HG SER 80 17.811 5.937 5.900 611 H GLU 81 HN GLU 81 16.488 9.633 6.077 612 HA GLU 81 HA GLU 81 18.405 11.594 5.254 613 1HB GLU 81 HB2 GLU 81 17.279 10.979 7.997 614 2HB GLU 81 HB1 GLU 81 18.185 12.428 7.562 615 1HG GLU 81 HG2 GLU 81 16.466 13.005 5.889 616 2HG GLU 81 HG1 GLU 81 15.557 11.559 6.325 Start of MODEL 19 1 1H MET 1 HT1 MET 1 -14.815 3.517 -1.322 2 2H MET 1 HT2 MET 1 -13.384 4.426 -1.421 3 3H MET 1 HT3 MET 1 -14.066 4.074 0.095 4 HA MET 1 HA MET 1 -13.763 1.644 -0.554 5 1HB MET 1 HB2 MET 1 -13.236 2.083 -2.906 6 2HB MET 1 HB1 MET 1 -11.857 3.073 -2.436 7 1HG MET 1 HG2 MET 1 -10.635 1.210 -1.653 8 2HG MET 1 HG1 MET 1 -12.074 0.190 -1.577 9 1HE MET 1 HE1 MET 1 -9.161 1.517 -3.553 10 2HE MET 1 HE2 MET 1 -10.385 2.606 -4.202 11 3HE MET 1 HE3 MET 1 -9.630 1.412 -5.257 12 H ARG 2 HN ARG 2 -12.284 0.723 0.883 13 HA ARG 2 HA ARG 2 -10.254 2.538 2.079 14 1HB ARG 2 HB2 ARG 2 -12.096 0.577 3.466 15 2HB ARG 2 HB1 ARG 2 -10.675 1.284 4.238 16 1HG ARG 2 HG2 ARG 2 -11.569 3.547 3.819 17 2HG ARG 2 HG1 ARG 2 -12.991 2.842 3.053 18 1HD ARG 2 HD2 ARG 2 -13.565 1.694 5.152 19 2HD ARG 2 HD1 ARG 2 -12.139 2.379 5.924 20 HE ARG 2 HE ARG 2 -13.658 4.495 4.872 21 1HH1 ARG 2 HH11 ARG 2 -12.711 3.799 7.798 22 2HH1 ARG 2 HH12 ARG 2 -14.226 3.923 8.631 23 1HH2 ARG 2 HH21 ARG 2 -16.123 3.893 5.725 24 2HH2 ARG 2 HH22 ARG 2 -16.160 3.975 7.456 25 H ILE 3 HN ILE 3 -8.248 1.747 2.248 26 HA ILE 3 HA ILE 3 -7.785 -1.123 1.575 27 HB ILE 3 HB ILE 3 -6.044 1.288 1.020 28 1HG1 ILE 3 HG12 ILE 3 -7.413 -0.529 -0.978 29 2HG1 ILE 3 HG11 ILE 3 -8.209 0.914 -0.349 30 1HG2 ILE 3 HG21 ILE 3 -5.729 -1.680 0.519 31 2HG2 ILE 3 HG22 ILE 3 -4.630 -0.608 1.387 32 3HG2 ILE 3 HG23 ILE 3 -4.802 -0.467 -0.364 33 1HD1 ILE 3 HD11 ILE 3 -5.429 1.057 -1.511 34 2HD1 ILE 3 HD12 ILE 3 -6.594 2.360 -1.285 35 3HD1 ILE 3 HD13 ILE 3 -6.855 1.152 -2.544 36 H GLU 4 HN GLU 4 -6.831 -2.254 3.200 37 HA GLU 4 HA GLU 4 -5.159 -0.786 5.187 38 1HB GLU 4 HB2 GLU 4 -7.299 -1.484 6.200 39 2HB GLU 4 HB1 GLU 4 -6.997 -3.150 5.714 40 1HG GLU 4 HG2 GLU 4 -4.967 -3.202 7.120 41 2HG GLU 4 HG1 GLU 4 -5.253 -1.529 7.597 42 H VAL 5 HN VAL 5 -3.152 -1.457 5.419 43 HA VAL 5 HA VAL 5 -2.395 -4.142 4.364 44 HB VAL 5 HB VAL 5 -0.616 -1.708 4.466 45 1HG1 VAL 5 HG11 VAL 5 0.467 -3.945 4.407 46 2HG1 VAL 5 HG12 VAL 5 0.777 -3.016 2.940 47 3HG1 VAL 5 HG13 VAL 5 -0.418 -4.311 2.927 48 1HG2 VAL 5 HG21 VAL 5 -1.037 -1.801 1.893 49 2HG2 VAL 5 HG22 VAL 5 -2.258 -1.042 2.912 50 3HG2 VAL 5 HG23 VAL 5 -2.500 -2.680 2.323 51 H THR 6 HN THR 6 -1.298 -5.485 5.680 52 HA THR 6 HA THR 6 -0.245 -4.420 8.250 53 HB THR 6 HB THR 6 -0.801 -6.706 9.162 54 HG1 THR 6 HG1 THR 6 -1.258 -7.180 6.656 55 1HG2 THR 6 HG21 THR 6 -2.991 -4.881 8.146 56 2HG2 THR 6 HG22 THR 6 -2.221 -4.851 9.733 57 3HG2 THR 6 HG23 THR 6 -3.278 -6.191 9.290 58 H ILE 7 HN ILE 7 1.746 -4.961 8.805 59 HA ILE 7 HA ILE 7 3.273 -6.855 7.110 60 HB ILE 7 HB ILE 7 3.898 -4.182 8.331 61 1HG1 ILE 7 HG12 ILE 7 4.661 -5.336 5.633 62 2HG1 ILE 7 HG11 ILE 7 3.104 -4.565 5.924 63 1HG2 ILE 7 HG21 ILE 7 5.840 -5.216 9.124 64 2HG2 ILE 7 HG22 ILE 7 6.360 -4.842 7.483 65 3HG2 ILE 7 HG23 ILE 7 5.810 -6.472 7.883 66 1HD1 ILE 7 HD11 ILE 7 5.640 -3.132 6.683 67 2HD1 ILE 7 HD12 ILE 7 4.062 -2.461 6.271 68 3HD1 ILE 7 HD13 ILE 7 5.093 -3.127 5.007 69 H ALA 8 HN ALA 8 4.279 -8.512 8.130 70 HA ALA 8 HA ALA 8 3.732 -9.123 10.839 71 1HB ALA 8 HB1 ALA 8 5.325 -10.990 10.470 72 2HB ALA 8 HB2 ALA 8 5.760 -10.274 8.917 73 3HB ALA 8 HB3 ALA 8 4.118 -10.859 9.190 74 H LYS 9 HN LYS 9 4.758 -8.827 12.559 75 HA LYS 9 HA LYS 9 6.755 -6.879 12.871 76 1HB LYS 9 HB2 LYS 9 5.722 -9.014 14.757 77 2HB LYS 9 HB1 LYS 9 6.951 -7.864 15.270 78 1HG LYS 9 HG2 LYS 9 5.354 -5.998 14.835 79 2HG LYS 9 HG1 LYS 9 4.132 -7.179 14.342 80 1HD LYS 9 HD2 LYS 9 4.285 -8.223 16.589 81 2HD LYS 9 HD1 LYS 9 5.448 -6.986 17.065 82 1HE LYS 9 HE2 LYS 9 3.790 -5.230 16.691 83 2HE LYS 9 HE1 LYS 9 2.627 -6.420 16.108 84 1HZ LYS 9 HZ1 LYS 9 3.837 -6.684 18.783 85 2HZ LYS 9 HZ2 LYS 9 2.377 -7.332 18.202 86 3HZ LYS 9 HZ3 LYS 9 2.498 -5.672 18.541 87 H THR 10 HN THR 10 7.085 -10.264 12.217 88 HA THR 10 HA THR 10 9.715 -10.638 13.169 89 HB THR 10 HB THR 10 9.800 -12.379 11.309 90 HG1 THR 10 HG1 THR 10 8.331 -11.387 9.918 91 1HG2 THR 10 HG21 THR 10 7.423 -12.437 13.190 92 2HG2 THR 10 HG22 THR 10 9.072 -12.898 13.613 93 3HG2 THR 10 HG23 THR 10 8.170 -13.839 12.424 94 H SER 11 HN SER 11 8.452 -8.635 10.704 95 HA SER 11 HA SER 11 11.149 -8.315 9.479 96 1HB SER 11 HB2 SER 11 9.967 -7.651 7.411 97 2HB SER 11 HB1 SER 11 9.604 -9.307 7.884 98 HG SER 11 HG SER 11 7.856 -7.812 9.120 99 HA PRO 12 HA PRO 12 9.941 -4.159 11.226 100 1HB PRO 12 HB2 PRO 12 12.593 -3.948 12.344 101 2HB PRO 12 HB1 PRO 12 11.071 -4.150 13.229 102 1HG PRO 12 HG2 PRO 12 13.091 -6.041 13.098 103 2HG PRO 12 HG1 PRO 12 11.405 -6.380 13.521 104 1HD PRO 12 HD2 PRO 12 12.824 -6.831 10.916 105 2HD PRO 12 HD1 PRO 12 11.536 -7.778 11.685 106 H LEU 13 HN LEU 13 10.064 -2.335 10.256 107 HA LEU 13 HA LEU 13 12.179 -1.999 8.213 108 1HB LEU 13 HB2 LEU 13 9.533 -0.544 8.467 109 2HB LEU 13 HB1 LEU 13 10.642 -0.480 7.104 110 HG LEU 13 HG LEU 13 9.049 -2.886 8.045 111 1HD1 LEU 13 HD11 LEU 13 7.901 -1.102 6.637 112 2HD1 LEU 13 HD12 LEU 13 7.908 -2.720 5.938 113 3HD1 LEU 13 HD13 LEU 13 9.037 -1.502 5.346 114 1HD2 LEU 13 HD21 LEU 13 11.318 -2.649 6.059 115 2HD2 LEU 13 HD22 LEU 13 10.093 -3.905 5.885 116 3HD2 LEU 13 HD23 LEU 13 11.092 -3.846 7.336 117 HA PRO 14 HA PRO 14 14.124 1.113 10.601 118 1HB PRO 14 HB2 PRO 14 14.276 3.165 8.543 119 2HB PRO 14 HB1 PRO 14 15.567 2.089 9.103 120 1HG PRO 14 HG2 PRO 14 13.927 1.899 6.693 121 2HG PRO 14 HG1 PRO 14 15.429 1.053 7.093 122 1HD PRO 14 HD2 PRO 14 12.919 -0.147 6.988 123 2HD PRO 14 HD1 PRO 14 14.308 -0.802 7.878 124 H ALA 15 HN ALA 15 13.763 2.937 11.741 125 HA ALA 15 HA ALA 15 11.164 3.604 12.434 126 1HB ALA 15 HB1 ALA 15 13.510 5.430 12.874 127 2HB ALA 15 HB2 ALA 15 13.329 3.899 13.732 128 3HB ALA 15 HB3 ALA 15 12.109 5.162 13.913 129 H GLY 16 HN GLY 16 11.025 4.034 9.670 130 1HA GLY 16 HA2 GLY 16 9.945 6.672 9.548 131 2HA GLY 16 HA1 GLY 16 11.484 6.633 8.736 132 H ALA 17 HN ALA 17 10.882 3.691 8.147 133 HA ALA 17 HA ALA 17 10.004 4.160 5.479 134 1HB ALA 17 HB1 ALA 17 10.988 1.850 7.053 135 2HB ALA 17 HB2 ALA 17 11.450 2.377 5.439 136 3HB ALA 17 HB3 ALA 17 9.972 1.445 5.670 137 H ILE 18 HN ILE 18 8.202 2.771 8.184 138 HA ILE 18 HA ILE 18 6.068 1.881 6.587 139 HB ILE 18 HB ILE 18 6.149 2.845 9.445 140 1HG1 ILE 18 HG12 ILE 18 7.277 0.634 8.525 141 2HG1 ILE 18 HG11 ILE 18 6.366 0.604 10.022 142 1HG2 ILE 18 HG21 ILE 18 3.835 1.799 7.815 143 2HG2 ILE 18 HG22 ILE 18 3.890 3.215 8.867 144 3HG2 ILE 18 HG23 ILE 18 3.888 1.596 9.566 145 1HD1 ILE 18 HD11 ILE 18 5.093 -0.059 7.364 146 2HD1 ILE 18 HD12 ILE 18 4.467 -0.387 8.978 147 3HD1 ILE 18 HD13 ILE 18 5.865 -1.277 8.377 148 H ASP 19 HN ASP 19 6.534 4.990 8.260 149 HA ASP 19 HA ASP 19 4.136 6.166 7.286 150 1HB ASP 19 HB2 ASP 19 6.727 7.416 8.247 151 2HB ASP 19 HB1 ASP 19 5.302 8.357 7.807 152 H ALA 20 HN ALA 20 7.392 5.986 5.905 153 HA ALA 20 HA ALA 20 6.795 7.712 3.751 154 1HB ALA 20 HB1 ALA 20 8.751 5.447 3.450 155 2HB ALA 20 HB2 ALA 20 9.107 6.773 4.552 156 3HB ALA 20 HB3 ALA 20 8.856 7.098 2.836 157 H LEU 21 HN LEU 21 6.452 4.240 4.203 158 HA LEU 21 HA LEU 21 5.730 3.528 1.610 159 1HB LEU 21 HB2 LEU 21 6.441 1.864 3.157 160 2HB LEU 21 HB1 LEU 21 5.214 2.330 4.329 161 HG LEU 21 HG LEU 21 3.461 1.520 2.827 162 1HD1 LEU 21 HD11 LEU 21 5.806 0.811 1.045 163 2HD1 LEU 21 HD12 LEU 21 4.463 1.876 0.650 164 3HD1 LEU 21 HD13 LEU 21 4.189 0.148 0.826 165 1HD2 LEU 21 HD21 LEU 21 3.974 -0.876 3.016 166 2HD2 LEU 21 HD22 LEU 21 4.515 -0.019 4.460 167 3HD2 LEU 21 HD23 LEU 21 5.683 -0.498 3.229 168 H ALA 22 HN ALA 22 3.705 4.314 4.413 169 HA ALA 22 HA ALA 22 1.178 4.002 3.140 170 1HB ALA 22 HB1 ALA 22 0.380 5.543 4.962 171 2HB ALA 22 HB2 ALA 22 2.059 5.724 5.472 172 3HB ALA 22 HB3 ALA 22 1.277 4.145 5.554 173 H GLY 23 HN GLY 23 3.437 6.719 3.243 174 1HA GLY 23 HA2 GLY 23 1.637 8.568 1.978 175 2HA GLY 23 HA1 GLY 23 3.401 8.718 2.170 176 H GLU 24 HN GLU 24 4.276 6.472 0.697 177 HA GLU 24 HA GLU 24 3.963 7.456 -1.930 178 1HB GLU 24 HB2 GLU 24 5.973 6.163 -1.115 179 2HB GLU 24 HB1 GLU 24 4.986 4.704 -1.123 180 1HG GLU 24 HG2 GLU 24 6.192 4.761 -3.208 181 2HG GLU 24 HG1 GLU 24 4.512 5.144 -3.573 182 H LEU 25 HN LEU 25 2.453 4.752 -0.250 183 HA LEU 25 HA LEU 25 1.120 3.697 -2.509 184 1HB LEU 25 HB2 LEU 25 0.437 3.536 0.421 185 2HB LEU 25 HB1 LEU 25 -0.463 2.679 -0.828 186 HG LEU 25 HG LEU 25 2.523 2.423 -0.423 187 1HD1 LEU 25 HD11 LEU 25 0.218 0.769 0.619 188 2HD1 LEU 25 HD12 LEU 25 1.509 1.530 1.547 189 3HD1 LEU 25 HD13 LEU 25 1.863 0.143 0.519 190 1HD2 LEU 25 HD21 LEU 25 1.835 0.157 -1.700 191 2HD2 LEU 25 HD22 LEU 25 2.209 1.632 -2.582 192 3HD2 LEU 25 HD23 LEU 25 0.529 1.183 -2.297 193 H SER 26 HN SER 26 0.079 6.137 -0.162 194 HA SER 26 HA SER 26 -2.591 6.356 -1.020 195 1HB SER 26 HB2 SER 26 -0.753 8.425 0.195 196 2HB SER 26 HB1 SER 26 -2.490 8.636 -0.006 197 HG SER 26 HG SER 26 -1.923 6.252 1.125 198 H ARG 27 HN ARG 27 0.307 8.177 -2.105 199 HA ARG 27 HA ARG 27 -1.073 9.875 -3.902 200 1HB ARG 27 HB2 ARG 27 1.771 8.835 -3.952 201 2HB ARG 27 HB1 ARG 27 1.155 10.061 -5.057 202 1HG ARG 27 HG2 ARG 27 0.566 11.500 -3.137 203 2HG ARG 27 HG1 ARG 27 1.199 10.275 -2.034 204 1HD ARG 27 HD2 ARG 27 3.422 10.474 -3.105 205 2HD ARG 27 HD1 ARG 27 2.788 11.724 -4.170 206 HE ARG 27 HE ARG 27 2.293 12.480 -1.499 207 1HH1 ARG 27 HH11 ARG 27 3.824 13.902 -3.853 208 2HH1 ARG 27 HH12 ARG 27 5.331 14.235 -3.067 209 1HH2 ARG 27 HH21 ARG 27 4.722 12.088 -0.413 210 2HH2 ARG 27 HH22 ARG 27 5.839 13.208 -1.119 211 H ARG 28 HN ARG 28 0.303 6.648 -4.348 212 HA ARG 28 HA ARG 28 -0.131 6.440 -7.132 213 1HB ARG 28 HB2 ARG 28 0.068 4.368 -4.945 214 2HB ARG 28 HB1 ARG 28 -0.027 3.970 -6.658 215 1HG ARG 28 HG2 ARG 28 1.994 5.316 -7.097 216 2HG ARG 28 HG1 ARG 28 2.096 5.723 -5.385 217 1HD ARG 28 HD2 ARG 28 2.303 3.307 -4.846 218 2HD ARG 28 HD1 ARG 28 2.272 2.934 -6.566 219 HE ARG 28 HE ARG 28 4.487 4.129 -5.078 220 1HH1 ARG 28 HH11 ARG 28 3.009 3.555 -8.150 221 2HH1 ARG 28 HH12 ARG 28 4.503 3.571 -9.028 222 1HH2 ARG 28 HH21 ARG 28 6.463 4.067 -6.213 223 2HH2 ARG 28 HH22 ARG 28 6.455 3.863 -7.932 224 H ILE 29 HN ILE 29 -2.156 5.628 -4.353 225 HA ILE 29 HA ILE 29 -4.248 4.360 -5.785 226 HB ILE 29 HB ILE 29 -4.143 5.683 -3.078 227 1HG1 ILE 29 HG12 ILE 29 -2.845 3.598 -3.345 228 2HG1 ILE 29 HG11 ILE 29 -4.205 3.358 -2.262 229 1HG2 ILE 29 HG21 ILE 29 -6.434 5.869 -3.637 230 2HG2 ILE 29 HG22 ILE 29 -6.327 4.375 -2.706 231 3HG2 ILE 29 HG23 ILE 29 -6.447 4.311 -4.464 232 1HD1 ILE 29 HD11 ILE 29 -4.460 1.487 -3.582 233 2HD1 ILE 29 HD12 ILE 29 -3.710 2.237 -4.983 234 3HD1 ILE 29 HD13 ILE 29 -5.383 2.606 -4.577 235 H GLN 30 HN GLN 30 -3.835 7.681 -4.692 236 HA GLN 30 HA GLN 30 -6.371 8.649 -5.611 237 1HB GLN 30 HB2 GLN 30 -3.739 10.041 -5.052 238 2HB GLN 30 HB1 GLN 30 -5.185 10.904 -5.562 239 1HG GLN 30 HG2 GLN 30 -6.398 10.056 -3.579 240 2HG GLN 30 HG1 GLN 30 -4.956 9.189 -3.058 241 1HE2 GLN 30 HE21 GLN 30 -4.808 12.395 -4.566 242 2HE2 GLN 30 HE22 GLN 30 -4.296 13.212 -3.168 243 H TYR 31 HN TYR 31 -3.205 8.456 -7.260 244 HA TYR 31 HA TYR 31 -4.130 9.838 -9.552 245 1HB TYR 31 HB2 TYR 31 -1.728 9.551 -9.085 246 2HB TYR 31 HB1 TYR 31 -1.895 7.808 -9.296 247 HD1 TYR 31 HD1 TYR 31 -2.263 11.083 -11.028 248 HD2 TYR 31 HD2 TYR 31 -1.899 6.826 -11.469 249 HE1 TYR 31 HE1 TYR 31 -1.978 11.363 -13.474 250 HE2 TYR 31 HE2 TYR 31 -1.613 7.105 -13.916 251 HH TYR 31 HH TYR 31 -2.214 10.100 -15.506 252 H ALA 32 HN ALA 32 -4.092 6.432 -8.613 253 HA ALA 32 HA ALA 32 -5.004 5.414 -11.100 254 1HB ALA 32 HB1 ALA 32 -5.557 3.380 -9.740 255 2HB ALA 32 HB2 ALA 32 -5.105 4.289 -8.299 256 3HB ALA 32 HB3 ALA 32 -3.900 3.951 -9.540 257 H PHE 33 HN PHE 33 -6.590 6.531 -8.177 258 HA PHE 33 HA PHE 33 -9.253 6.158 -9.450 259 1HB PHE 33 HB2 PHE 33 -8.476 6.042 -6.536 260 2HB PHE 33 HB1 PHE 33 -10.126 5.991 -7.152 261 HD1 PHE 33 HD1 PHE 33 -10.900 4.105 -8.564 262 HD2 PHE 33 HD2 PHE 33 -6.995 4.154 -6.778 263 HE1 PHE 33 HE1 PHE 33 -10.653 1.683 -9.032 264 HE2 PHE 33 HE2 PHE 33 -6.749 1.735 -7.246 265 HZ PHE 33 HZ PHE 33 -8.572 0.504 -8.377 266 HA PRO 34 HA PRO 34 -8.627 10.673 -8.824 267 1HB PRO 34 HB2 PRO 34 -10.180 11.133 -11.230 268 2HB PRO 34 HB1 PRO 34 -8.465 11.453 -10.943 269 1HG PRO 34 HG2 PRO 34 -9.488 9.481 -12.621 270 2HG PRO 34 HG1 PRO 34 -7.833 9.551 -11.994 271 1HD PRO 34 HD2 PRO 34 -10.094 7.819 -11.128 272 2HD PRO 34 HD1 PRO 34 -8.341 7.539 -11.022 273 H ASP 35 HN ASP 35 -11.494 8.803 -9.530 274 HA ASP 35 HA ASP 35 -13.296 10.902 -8.562 275 1HB ASP 35 HB2 ASP 35 -15.087 9.442 -9.419 276 2HB ASP 35 HB1 ASP 35 -13.887 9.847 -10.645 277 H ASN 36 HN ASN 36 -11.720 8.242 -7.072 278 HA ASN 36 HA ASN 36 -13.965 8.012 -5.119 279 1HB ASN 36 HB2 ASN 36 -12.018 5.863 -5.902 280 2HB ASN 36 HB1 ASN 36 -13.311 5.718 -4.725 281 1HD2 ASN 36 HD21 ASN 36 -15.360 7.155 -6.103 282 2HD2 ASN 36 HD22 ASN 36 -15.775 6.282 -7.499 283 H GLU 37 HN GLU 37 -13.375 8.523 -2.910 284 HA GLU 37 HA GLU 37 -10.818 9.422 -2.226 285 1HB GLU 37 HB2 GLU 37 -13.032 8.285 -0.512 286 2HB GLU 37 HB1 GLU 37 -11.718 9.320 0.033 287 1HG GLU 37 HG2 GLU 37 -12.562 11.157 -1.420 288 2HG GLU 37 HG1 GLU 37 -13.872 10.106 -1.966 289 H GLY 38 HN GLY 38 -9.040 8.168 -1.845 290 1HA GLY 38 HA2 GLY 38 -9.389 5.289 -1.094 291 2HA GLY 38 HA1 GLY 38 -8.041 5.808 -1.863 292 H HIS 39 HN HIS 39 -8.853 4.814 1.156 293 HA HIS 39 HA HIS 39 -6.956 6.683 2.428 294 1HB HIS 39 HB2 HIS 39 -9.280 5.113 3.562 295 2HB HIS 39 HB1 HIS 39 -8.037 5.839 4.582 296 HD1 HIS 39 HD1 HIS 39 -10.895 6.722 2.311 297 HD2 HIS 39 HD2 HIS 39 -8.084 8.686 4.681 298 HE1 HIS 39 HE1 HIS 39 -11.642 9.139 2.455 299 H VAL 40 HN VAL 40 -5.025 5.691 2.922 300 HA VAL 40 HA VAL 40 -4.935 2.746 2.975 301 HB VAL 40 HB VAL 40 -2.792 4.753 2.268 302 1HG1 VAL 40 HG11 VAL 40 -1.716 2.842 3.176 303 2HG1 VAL 40 HG12 VAL 40 -1.690 2.590 1.431 304 3HG1 VAL 40 HG13 VAL 40 -2.869 1.738 2.426 305 1HG2 VAL 40 HG21 VAL 40 -3.185 4.164 -0.001 306 2HG2 VAL 40 HG22 VAL 40 -4.807 4.368 0.661 307 3HG2 VAL 40 HG23 VAL 40 -4.139 2.749 0.441 308 H SER 41 HN SER 41 -4.290 1.800 4.778 309 HA SER 41 HA SER 41 -2.818 3.378 6.817 310 1HB SER 41 HB2 SER 41 -5.090 1.433 7.288 311 2HB SER 41 HB1 SER 41 -4.007 1.973 8.565 312 HG SER 41 HG SER 41 -5.737 3.354 8.551 313 H VAL 42 HN VAL 42 -1.151 2.414 7.835 314 HA VAL 42 HA VAL 42 -0.587 -0.409 7.154 315 HB VAL 42 HB VAL 42 1.495 1.805 7.226 316 1HG1 VAL 42 HG11 VAL 42 2.358 -0.377 7.885 317 2HG1 VAL 42 HG12 VAL 42 2.951 0.022 6.272 318 3HG1 VAL 42 HG13 VAL 42 1.626 -1.126 6.465 319 1HG2 VAL 42 HG21 VAL 42 -0.030 1.967 5.244 320 2HG2 VAL 42 HG22 VAL 42 0.410 0.318 4.817 321 3HG2 VAL 42 HG23 VAL 42 1.632 1.582 4.803 322 H ARG 43 HN ARG 43 -0.194 -1.616 8.844 323 HA ARG 43 HA ARG 43 0.991 -0.446 11.236 324 1HB ARG 43 HB2 ARG 43 -1.337 -0.086 11.697 325 2HB ARG 43 HB1 ARG 43 -1.756 -1.717 11.180 326 1HG ARG 43 HG2 ARG 43 -0.634 -2.690 13.078 327 2HG ARG 43 HG1 ARG 43 0.071 -1.135 13.526 328 1HD ARG 43 HD2 ARG 43 -2.081 -0.231 14.096 329 2HD ARG 43 HD1 ARG 43 -2.915 -1.617 13.401 330 HE ARG 43 HE ARG 43 -1.136 -2.417 15.495 331 1HH1 ARG 43 HH21 ARG 43 -3.670 -0.183 15.516 332 2HH1 ARG 43 HH22 ARG 43 -4.626 -1.009 16.702 333 1HH2 ARG 43 HH11 ARG 43 -2.618 -3.834 16.746 334 2HH2 ARG 43 HH12 ARG 43 -4.031 -3.074 17.395 335 H TYR 44 HN TYR 44 1.656 -2.146 12.807 336 HA TYR 44 HA TYR 44 2.535 -4.573 11.400 337 1HB TYR 44 HB2 TYR 44 3.009 -3.688 14.258 338 2HB TYR 44 HB1 TYR 44 3.743 -5.072 13.465 339 HD1 TYR 44 HD1 TYR 44 3.674 -1.406 13.686 340 HD2 TYR 44 HD2 TYR 44 5.453 -4.812 11.784 341 HE1 TYR 44 HE1 TYR 44 5.517 0.026 12.861 342 HE2 TYR 44 HE2 TYR 44 7.303 -3.391 10.945 343 HH TYR 44 HH TYR 44 7.951 -0.345 12.156 344 H ALA 45 HN ALA 45 1.897 -6.604 11.781 345 HA ALA 45 HA ALA 45 -0.118 -7.130 13.853 346 1HB ALA 45 HB1 ALA 45 -0.521 -8.142 11.040 347 2HB ALA 45 HB2 ALA 45 -1.172 -6.584 11.545 348 3HB ALA 45 HB3 ALA 45 -1.686 -8.059 12.362 349 H ALA 46 HN ALA 46 -0.431 -9.589 14.047 350 HA ALA 46 HA ALA 46 2.103 -10.795 14.337 351 1HB ALA 46 HB1 ALA 46 0.909 -12.850 14.868 352 2HB ALA 46 HB2 ALA 46 -0.562 -12.229 14.122 353 3HB ALA 46 HB3 ALA 46 0.051 -11.497 15.603 354 H ALA 47 HN ALA 47 -0.042 -10.643 11.588 355 HA ALA 47 HA ALA 47 1.972 -12.174 10.059 356 1HB ALA 47 HB1 ALA 47 -1.012 -12.656 9.960 357 2HB ALA 47 HB2 ALA 47 0.199 -13.757 10.614 358 3HB ALA 47 HB3 ALA 47 0.178 -13.395 8.888 359 H ASN 48 HN ASN 48 2.072 -11.776 7.833 360 HA ASN 48 HA ASN 48 1.396 -9.091 7.025 361 1HB ASN 48 HB2 ASN 48 3.394 -10.421 6.202 362 2HB ASN 48 HB1 ASN 48 2.264 -11.393 5.261 363 1HD2 ASN 48 HD21 ASN 48 2.521 -10.678 3.127 364 2HD2 ASN 48 HD22 ASN 48 2.479 -9.050 2.649 365 H ASN 49 HN ASN 49 -0.525 -8.456 6.173 366 HA ASN 49 HA ASN 49 -2.147 -10.312 4.609 367 1HB ASN 49 HB2 ASN 49 -2.959 -10.748 6.870 368 2HB ASN 49 HB1 ASN 49 -3.211 -9.025 7.133 369 1HD2 ASN 49 HD21 ASN 49 -4.300 -11.756 5.078 370 2HD2 ASN 49 HD22 ASN 49 -5.810 -11.073 4.713 371 H LEU 50 HN LEU 50 -3.657 -9.271 3.289 372 HA LEU 50 HA LEU 50 -3.570 -6.310 3.239 373 1HB LEU 50 HB2 LEU 50 -2.193 -7.296 1.403 374 2HB LEU 50 HB1 LEU 50 -3.596 -8.221 0.877 375 HG LEU 50 HG LEU 50 -4.835 -6.079 0.520 376 1HD1 LEU 50 HD11 LEU 50 -2.251 -4.941 1.527 377 2HD1 LEU 50 HD12 LEU 50 -3.910 -4.466 1.888 378 3HD1 LEU 50 HD13 LEU 50 -3.191 -4.032 0.342 379 1HD2 LEU 50 HD21 LEU 50 -2.183 -6.172 -0.956 380 2HD2 LEU 50 HD22 LEU 50 -3.689 -5.463 -1.540 381 3HD2 LEU 50 HD23 LEU 50 -3.563 -7.208 -1.330 382 H SER 51 HN SER 51 -5.648 -5.542 3.546 383 HA SER 51 HA SER 51 -7.912 -7.284 2.719 384 1HB SER 51 HB2 SER 51 -7.685 -5.464 5.120 385 2HB SER 51 HB1 SER 51 -9.157 -6.282 4.606 386 HG SER 51 HG SER 51 -7.269 -7.237 6.138 387 H VAL 52 HN VAL 52 -9.338 -6.316 1.355 388 HA VAL 52 HA VAL 52 -9.301 -3.375 1.110 389 HB VAL 52 HB VAL 52 -9.630 -5.416 -1.107 390 1HG1 VAL 52 HG11 VAL 52 -11.074 -3.597 -1.613 391 2HG1 VAL 52 HG12 VAL 52 -9.596 -3.271 -2.517 392 3HG1 VAL 52 HG13 VAL 52 -9.920 -2.406 -1.014 393 1HG2 VAL 52 HG21 VAL 52 -7.463 -3.404 -0.433 394 2HG2 VAL 52 HG22 VAL 52 -7.570 -4.243 -1.980 395 3HG2 VAL 52 HG23 VAL 52 -7.302 -5.159 -0.497 396 H ILE 53 HN ILE 53 -11.267 -2.476 1.525 397 HA ILE 53 HA ILE 53 -13.678 -4.197 1.256 398 HB ILE 53 HB ILE 53 -13.181 -2.026 3.310 399 1HG1 ILE 53 HG12 ILE 53 -13.460 -5.017 3.740 400 2HG1 ILE 53 HG11 ILE 53 -11.896 -4.207 3.621 401 1HG2 ILE 53 HG21 ILE 53 -15.522 -2.151 2.734 402 2HG2 ILE 53 HG22 ILE 53 -15.313 -2.992 4.269 403 3HG2 ILE 53 HG23 ILE 53 -15.490 -3.913 2.777 404 1HD1 ILE 53 HD11 ILE 53 -12.537 -4.423 5.971 405 2HD1 ILE 53 HD12 ILE 53 -14.071 -3.614 5.648 406 3HD1 ILE 53 HD13 ILE 53 -12.557 -2.722 5.503 407 H GLY 54 HN GLY 54 -15.239 -3.451 -0.028 408 1HA GLY 54 HA2 GLY 54 -16.689 -1.804 -0.921 409 2HA GLY 54 HA1 GLY 54 -15.510 -0.567 -0.491 410 H ALA 55 HN ALA 55 -14.203 -3.333 -2.097 411 HA ALA 55 HA ALA 55 -14.136 -1.823 -4.660 412 1HB ALA 55 HB1 ALA 55 -11.857 -2.059 -4.822 413 2HB ALA 55 HB2 ALA 55 -11.833 -3.576 -3.924 414 3HB ALA 55 HB3 ALA 55 -11.999 -2.046 -3.068 415 H THR 56 HN THR 56 -13.558 -3.095 -6.529 416 HA THR 56 HA THR 56 -14.969 -5.702 -6.750 417 HB THR 56 HB THR 56 -15.060 -5.204 -9.029 418 HG1 THR 56 HG1 THR 56 -12.832 -3.776 -8.440 419 1HG2 THR 56 HG21 THR 56 -15.323 -2.469 -7.774 420 2HG2 THR 56 HG22 THR 56 -16.481 -3.762 -7.459 421 3HG2 THR 56 HG23 THR 56 -16.262 -3.154 -9.100 422 H LYS 57 HN LYS 57 -14.006 -7.321 -7.989 423 HA LYS 57 HA LYS 57 -11.498 -8.110 -7.119 424 1HB LYS 57 HB2 LYS 57 -12.996 -9.007 -9.598 425 2HB LYS 57 HB1 LYS 57 -11.672 -9.883 -8.838 426 1HG LYS 57 HG2 LYS 57 -13.025 -10.131 -6.765 427 2HG LYS 57 HG1 LYS 57 -14.346 -9.247 -7.532 428 1HD LYS 57 HD2 LYS 57 -14.487 -10.979 -9.279 429 2HD LYS 57 HD1 LYS 57 -13.162 -11.859 -8.516 430 1HE LYS 57 HE2 LYS 57 -15.664 -11.150 -6.982 431 2HE LYS 57 HE1 LYS 57 -15.562 -12.620 -7.947 432 1HZ LYS 57 HZ1 LYS 57 -13.602 -13.265 -6.694 433 2HZ LYS 57 HZ2 LYS 57 -14.925 -13.025 -5.656 434 3HZ LYS 57 HZ3 LYS 57 -13.701 -11.849 -5.765 435 H GLU 58 HN GLU 58 -12.253 -6.465 -10.258 436 HA GLU 58 HA GLU 58 -9.613 -6.825 -11.285 437 1HB GLU 58 HB2 GLU 58 -11.905 -5.000 -11.993 438 2HB GLU 58 HB1 GLU 58 -10.351 -4.892 -12.815 439 1HG GLU 58 HG2 GLU 58 -11.943 -7.467 -12.608 440 2HG GLU 58 HG1 GLU 58 -12.054 -6.362 -13.972 441 H ASP 59 HN ASP 59 -11.116 -4.151 -9.423 442 HA ASP 59 HA ASP 59 -8.949 -2.364 -9.737 443 1HB ASP 59 HB2 ASP 59 -9.805 -1.283 -7.638 444 2HB ASP 59 HB1 ASP 59 -11.016 -1.481 -8.898 445 H LYS 60 HN LYS 60 -9.719 -4.848 -7.405 446 HA LYS 60 HA LYS 60 -7.517 -4.423 -5.671 447 1HB LYS 60 HB2 LYS 60 -9.467 -5.737 -4.966 448 2HB LYS 60 HB1 LYS 60 -9.094 -6.960 -6.182 449 1HG LYS 60 HG2 LYS 60 -7.128 -7.646 -5.066 450 2HG LYS 60 HG1 LYS 60 -7.057 -6.176 -4.095 451 1HD LYS 60 HD2 LYS 60 -7.830 -7.997 -2.685 452 2HD LYS 60 HD1 LYS 60 -9.174 -6.892 -2.956 453 1HE LYS 60 HE2 LYS 60 -10.128 -8.351 -4.628 454 2HE LYS 60 HE1 LYS 60 -8.700 -9.386 -4.612 455 1HZ LYS 60 HZ1 LYS 60 -10.937 -9.303 -2.797 456 2HZ LYS 60 HZ2 LYS 60 -9.427 -9.354 -2.020 457 3HZ LYS 60 HZ3 LYS 60 -9.857 -10.567 -3.129 458 H GLN 61 HN GLN 61 -7.742 -6.450 -8.616 459 HA GLN 61 HA GLN 61 -5.169 -7.621 -8.208 460 1HB GLN 61 HB2 GLN 61 -6.799 -7.127 -10.718 461 2HB GLN 61 HB1 GLN 61 -5.273 -8.010 -10.707 462 1HG GLN 61 HG2 GLN 61 -7.651 -8.755 -8.986 463 2HG GLN 61 HG1 GLN 61 -7.328 -9.474 -10.560 464 1HE2 GLN 61 HE21 GLN 61 -4.287 -9.213 -9.873 465 2HE2 GLN 61 HE22 GLN 61 -4.010 -10.546 -8.863 466 H ARG 62 HN ARG 62 -6.324 -4.668 -9.886 467 HA ARG 62 HA ARG 62 -3.829 -3.913 -10.918 468 1HB ARG 62 HB2 ARG 62 -5.953 -2.842 -11.623 469 2HB ARG 62 HB1 ARG 62 -6.140 -2.149 -10.015 470 1HG ARG 62 HG2 ARG 62 -4.023 -0.885 -10.328 471 2HG ARG 62 HG1 ARG 62 -3.877 -1.556 -11.952 472 1HD ARG 62 HD2 ARG 62 -6.027 -0.526 -12.574 473 2HD ARG 62 HD1 ARG 62 -6.184 0.133 -10.949 474 HE ARG 62 HE ARG 62 -4.618 1.767 -11.502 475 1HH1 ARG 62 HH21 ARG 62 -4.294 -0.902 -13.658 476 2HH1 ARG 62 HH22 ARG 62 -3.469 0.003 -14.883 477 1HH2 ARG 62 HH11 ARG 62 -3.706 3.018 -13.190 478 2HH2 ARG 62 HH12 ARG 62 -3.137 2.223 -14.618 479 H ILE 63 HN ILE 63 -5.398 -3.165 -7.845 480 HA ILE 63 HA ILE 63 -3.323 -1.529 -6.871 481 HB ILE 63 HB ILE 63 -5.347 -3.191 -5.402 482 1HG1 ILE 63 HG12 ILE 63 -5.120 -0.189 -5.681 483 2HG1 ILE 63 HG11 ILE 63 -6.071 -1.183 -6.785 484 1HG2 ILE 63 HG21 ILE 63 -4.672 -1.642 -3.445 485 2HG2 ILE 63 HG22 ILE 63 -3.198 -1.345 -4.368 486 3HG2 ILE 63 HG23 ILE 63 -3.586 -2.979 -3.828 487 1HD1 ILE 63 HD11 ILE 63 -7.528 -0.309 -5.032 488 2HD1 ILE 63 HD12 ILE 63 -6.461 -0.959 -3.788 489 3HD1 ILE 63 HD13 ILE 63 -7.361 -2.055 -4.837 490 H SER 64 HN SER 64 -3.752 -5.028 -6.659 491 HA SER 64 HA SER 64 -1.459 -5.515 -5.053 492 1HB SER 64 HB2 SER 64 -3.129 -7.279 -5.544 493 2HB SER 64 HB1 SER 64 -2.653 -7.252 -7.238 494 HG SER 64 HG SER 64 -1.226 -8.128 -4.974 495 H GLU 65 HN GLU 65 -1.900 -5.220 -8.636 496 HA GLU 65 HA GLU 65 0.784 -5.741 -9.285 497 1HB GLU 65 HB2 GLU 65 -1.326 -4.083 -10.699 498 2HB GLU 65 HB1 GLU 65 0.260 -4.420 -11.390 499 1HG GLU 65 HG2 GLU 65 -0.183 -6.842 -11.233 500 2HG GLU 65 HG1 GLU 65 -1.772 -6.506 -10.546 501 H ILE 66 HN ILE 66 -0.866 -2.705 -8.487 502 HA ILE 66 HA ILE 66 1.323 -1.004 -8.949 503 HB ILE 66 HB ILE 66 -1.013 -0.753 -7.048 504 1HG1 ILE 66 HG12 ILE 66 -0.379 0.655 -9.660 505 2HG1 ILE 66 HG11 ILE 66 -1.379 -0.793 -9.556 506 1HG2 ILE 66 HG21 ILE 66 0.692 0.667 -6.129 507 2HG2 ILE 66 HG22 ILE 66 -0.348 1.713 -7.090 508 3HG2 ILE 66 HG23 ILE 66 1.207 1.193 -7.733 509 1HD1 ILE 66 HD11 ILE 66 -2.006 1.644 -7.887 510 2HD1 ILE 66 HD12 ILE 66 -3.074 0.318 -8.344 511 3HD1 ILE 66 HD13 ILE 66 -2.578 1.506 -9.548 512 H LEU 67 HN LEU 67 0.327 -2.682 -6.003 513 HA LEU 67 HA LEU 67 2.343 -1.658 -4.319 514 1HB LEU 67 HB2 LEU 67 0.498 -2.836 -3.305 515 2HB LEU 67 HB1 LEU 67 0.798 -4.266 -4.281 516 HG LEU 67 HG LEU 67 3.038 -4.504 -3.092 517 1HD1 LEU 67 HD11 LEU 67 2.990 -3.324 -0.772 518 2HD1 LEU 67 HD12 LEU 67 1.870 -2.194 -1.529 519 3HD1 LEU 67 HD13 LEU 67 3.506 -2.379 -2.166 520 1HD2 LEU 67 HD21 LEU 67 0.442 -4.606 -1.536 521 2HD2 LEU 67 HD22 LEU 67 1.948 -5.314 -0.954 522 3HD2 LEU 67 HD23 LEU 67 1.207 -5.915 -2.437 523 H GLN 68 HN GLN 68 2.262 -4.441 -6.501 524 HA GLN 68 HA GLN 68 4.835 -5.436 -5.818 525 1HB GLN 68 HB2 GLN 68 3.202 -5.662 -8.353 526 2HB GLN 68 HB1 GLN 68 4.742 -6.490 -8.108 527 1HG GLN 68 HG2 GLN 68 3.854 -7.655 -6.164 528 2HG GLN 68 HG1 GLN 68 2.340 -6.763 -6.280 529 1HE2 GLN 68 HE21 GLN 68 2.591 -9.685 -6.455 530 2HE2 GLN 68 HE22 GLN 68 2.052 -10.127 -8.003 531 H GLU 69 HN GLU 69 3.871 -3.280 -8.549 532 HA GLU 69 HA GLU 69 6.471 -2.868 -9.472 533 1HB GLU 69 HB2 GLU 69 3.990 -1.159 -9.646 534 2HB GLU 69 HB1 GLU 69 5.492 -0.762 -10.481 535 1HG GLU 69 HG2 GLU 69 4.096 -3.431 -10.780 536 2HG GLU 69 HG1 GLU 69 3.801 -2.070 -11.858 537 H THR 70 HN THR 70 4.631 -0.908 -7.109 538 HA THR 70 HA THR 70 6.556 1.117 -6.803 539 HB THR 70 HB THR 70 4.666 0.035 -4.739 540 HG1 THR 70 HG1 THR 70 3.378 1.798 -5.488 541 1HG2 THR 70 HG21 THR 70 6.183 1.408 -3.572 542 2HG2 THR 70 HG22 THR 70 4.855 2.499 -3.967 543 3HG2 THR 70 HG23 THR 70 6.335 2.530 -4.923 544 H TRP 71 HN TRP 71 5.985 -1.833 -5.055 545 HA TRP 71 HA TRP 71 8.038 -1.708 -3.222 546 1HB TRP 71 HB2 TRP 71 6.097 -3.199 -3.141 547 2HB TRP 71 HB1 TRP 71 6.731 -4.087 -4.515 548 HD1 TRP 71 HD1 TRP 71 7.612 -6.304 -3.698 549 HE1 TRP 71 HE1 TRP 71 9.001 -7.144 -1.703 550 HE3 TRP 71 HE3 TRP 71 8.074 -1.957 -1.004 551 HZ2 TRP 71 HZ2 TRP 71 10.133 -6.137 0.708 552 HZ3 TRP 71 HZ3 TRP 71 9.300 -1.950 1.137 553 HH2 TRP 71 HH2 TRP 71 10.325 -4.031 2.002 554 H GLU 72 HN GLU 72 8.029 -2.938 -6.502 555 HA GLU 72 HA GLU 72 10.731 -3.870 -6.395 556 1HB GLU 72 HB2 GLU 72 8.841 -3.414 -8.709 557 2HB GLU 72 HB1 GLU 72 10.478 -4.035 -8.919 558 1HG GLU 72 HG2 GLU 72 8.444 -5.301 -7.068 559 2HG GLU 72 HG1 GLU 72 8.684 -5.815 -8.737 560 H SER 73 HN SER 73 9.383 -0.713 -6.874 561 HA SER 73 HA SER 73 11.919 0.187 -8.116 562 1HB SER 73 HB2 SER 73 9.143 1.355 -8.083 563 2HB SER 73 HB1 SER 73 10.548 2.327 -8.516 564 HG SER 73 HG SER 73 10.533 -0.107 -9.736 565 H ALA 74 HN ALA 74 11.288 -0.408 -5.196 566 HA ALA 74 HA ALA 74 11.040 1.749 -3.598 567 1HB ALA 74 HB1 ALA 74 11.093 -0.501 -2.781 568 2HB ALA 74 HB2 ALA 74 12.327 0.444 -1.946 569 3HB ALA 74 HB3 ALA 74 12.789 -0.670 -3.235 570 H ASP 75 HN ASP 75 14.063 0.809 -5.179 571 HA ASP 75 HA ASP 75 15.757 2.453 -3.628 572 1HB ASP 75 HB2 ASP 75 16.550 0.619 -5.070 573 2HB ASP 75 HB1 ASP 75 16.111 1.561 -6.493 574 H ASP 76 HN ASP 76 13.512 3.313 -6.132 575 HA ASP 76 HA ASP 76 14.881 5.858 -6.720 576 1HB ASP 76 HB2 ASP 76 12.441 4.514 -7.868 577 2HB ASP 76 HB1 ASP 76 12.961 6.135 -8.323 578 H TRP 77 HN TRP 77 11.725 4.832 -5.327 579 HA TRP 77 HA TRP 77 11.122 7.649 -4.775 580 1HB TRP 77 HB2 TRP 77 8.945 7.012 -4.238 581 2HB TRP 77 HB1 TRP 77 9.401 6.022 -5.607 582 HD1 TRP 77 HD1 TRP 77 9.465 3.407 -5.265 583 HE1 TRP 77 HE1 TRP 77 8.826 1.856 -3.336 584 HE3 TRP 77 HE3 TRP 77 9.000 6.821 -1.374 585 HZ2 TRP 77 HZ2 TRP 77 8.205 1.981 -0.583 586 HZ3 TRP 77 HZ3 TRP 77 8.375 6.010 0.850 587 HH2 TRP 77 HH2 TRP 77 7.983 3.613 1.251 588 H PHE 78 HN PHE 78 12.459 5.008 -2.963 589 HA PHE 78 HA PHE 78 11.671 6.264 -0.420 590 1HB PHE 78 HB2 PHE 78 11.551 3.888 -0.385 591 2HB PHE 78 HB1 PHE 78 13.174 3.729 -1.037 592 HD1 PHE 78 HD1 PHE 78 15.164 4.114 0.344 593 HD2 PHE 78 HD2 PHE 78 11.205 4.636 1.961 594 HE1 PHE 78 HE1 PHE 78 16.106 4.220 2.626 595 HE2 PHE 78 HE2 PHE 78 12.166 4.730 4.240 596 HZ PHE 78 HZ PHE 78 14.609 4.521 4.578 597 H VAL 79 HN VAL 79 12.837 7.639 0.633 598 HA VAL 79 HA VAL 79 15.705 7.958 -0.004 599 HB VAL 79 HB VAL 79 15.189 10.414 0.668 600 1HG1 VAL 79 HG11 VAL 79 14.103 9.187 -1.885 601 2HG1 VAL 79 HG12 VAL 79 15.746 9.777 -1.620 602 3HG1 VAL 79 HG13 VAL 79 14.396 10.910 -1.653 603 1HG2 VAL 79 HG21 VAL 79 12.874 9.756 1.528 604 2HG2 VAL 79 HG22 VAL 79 12.397 9.560 -0.162 605 3HG2 VAL 79 HG23 VAL 79 12.912 11.138 0.435 606 H SER 80 HN SER 80 17.092 8.176 1.864 607 HA SER 80 HA SER 80 15.729 8.176 4.502 608 1HB SER 80 HB2 SER 80 17.702 6.750 5.230 609 2HB SER 80 HB1 SER 80 16.587 5.939 4.130 610 HG SER 80 HG SER 80 19.187 6.855 3.724 611 H GLU 81 HN GLU 81 16.536 9.526 5.985 612 HA GLU 81 HA GLU 81 18.223 11.661 5.177 613 1HB GLU 81 HB2 GLU 81 18.131 12.346 7.549 614 2HB GLU 81 HB1 GLU 81 16.532 11.952 6.919 615 1HG GLU 81 HG2 GLU 81 16.693 9.698 7.915 616 2HG GLU 81 HG1 GLU 81 18.289 10.095 8.553 Start of MODEL 20 1 1H MET 1 HT1 MET 1 -14.655 3.875 -1.336 2 2H MET 1 HT2 MET 1 -13.247 4.745 -0.952 3 3H MET 1 HT3 MET 1 -14.288 4.217 0.284 4 HA MET 1 HA MET 1 -13.801 1.900 -0.322 5 1HB MET 1 HB2 MET 1 -13.130 2.511 -2.686 6 2HB MET 1 HB1 MET 1 -11.633 3.162 -2.023 7 1HG MET 1 HG2 MET 1 -11.847 0.576 -0.882 8 2HG MET 1 HG1 MET 1 -12.337 0.373 -2.560 9 1HE MET 1 HE1 MET 1 -11.252 1.916 -4.280 10 2HE MET 1 HE2 MET 1 -10.409 0.414 -4.656 11 3HE MET 1 HE3 MET 1 -9.503 1.924 -4.555 12 H ARG 2 HN ARG 2 -12.357 0.928 1.118 13 HA ARG 2 HA ARG 2 -10.341 2.710 2.362 14 1HB ARG 2 HB2 ARG 2 -12.249 2.374 3.882 15 2HB ARG 2 HB1 ARG 2 -12.064 0.625 3.739 16 1HG ARG 2 HG2 ARG 2 -9.895 0.691 4.781 17 2HG ARG 2 HG1 ARG 2 -9.859 2.453 4.719 18 1HD ARG 2 HD2 ARG 2 -10.453 1.856 6.965 19 2HD ARG 2 HD1 ARG 2 -11.917 2.448 6.192 20 HE ARG 2 HE ARG 2 -11.917 -0.297 5.802 21 1HH1 ARG 2 HH21 ARG 2 -10.605 -0.350 8.518 22 2HH1 ARG 2 HH22 ARG 2 -11.970 -0.405 9.583 23 1HH2 ARG 2 HH11 ARG 2 -14.233 0.619 7.163 24 2HH2 ARG 2 HH12 ARG 2 -14.025 0.143 8.815 25 H ILE 3 HN ILE 3 -8.340 1.928 2.453 26 HA ILE 3 HA ILE 3 -7.872 -0.925 1.718 27 HB ILE 3 HB ILE 3 -6.165 1.517 1.174 28 1HG1 ILE 3 HG12 ILE 3 -7.545 -0.259 -0.854 29 2HG1 ILE 3 HG11 ILE 3 -8.374 1.131 -0.149 30 1HG2 ILE 3 HG21 ILE 3 -5.839 -1.402 0.404 31 2HG2 ILE 3 HG22 ILE 3 -4.799 -0.498 1.504 32 3HG2 ILE 3 HG23 ILE 3 -4.844 -0.082 -0.208 33 1HD1 ILE 3 HD11 ILE 3 -5.739 1.200 -1.645 34 2HD1 ILE 3 HD12 ILE 3 -6.511 2.594 -0.893 35 3HD1 ILE 3 HD13 ILE 3 -7.291 1.781 -2.250 36 H GLU 4 HN GLU 4 -6.887 -2.087 3.303 37 HA GLU 4 HA GLU 4 -5.201 -0.647 5.297 38 1HB GLU 4 HB2 GLU 4 -6.988 -3.053 5.800 39 2HB GLU 4 HB1 GLU 4 -5.926 -2.295 6.987 40 1HG GLU 4 HG2 GLU 4 -7.177 -0.180 6.760 41 2HG GLU 4 HG1 GLU 4 -8.240 -0.940 5.575 42 H VAL 5 HN VAL 5 -3.195 -1.313 5.516 43 HA VAL 5 HA VAL 5 -2.445 -3.980 4.421 44 HB VAL 5 HB VAL 5 -0.683 -1.530 4.539 45 1HG1 VAL 5 HG11 VAL 5 0.598 -3.556 4.472 46 2HG1 VAL 5 HG12 VAL 5 0.604 -2.901 2.835 47 3HG1 VAL 5 HG13 VAL 5 -0.452 -4.253 3.238 48 1HG2 VAL 5 HG21 VAL 5 -2.303 -0.887 2.965 49 2HG2 VAL 5 HG22 VAL 5 -2.551 -2.538 2.395 50 3HG2 VAL 5 HG23 VAL 5 -1.084 -1.662 1.957 51 H THR 6 HN THR 6 -1.357 -5.335 5.702 52 HA THR 6 HA THR 6 -0.294 -4.301 8.277 53 HB THR 6 HB THR 6 -0.819 -6.704 9.075 54 HG1 THR 6 HG1 THR 6 -1.516 -7.819 7.426 55 1HG2 THR 6 HG21 THR 6 -3.188 -6.049 9.572 56 2HG2 THR 6 HG22 THR 6 -3.001 -4.691 8.460 57 3HG2 THR 6 HG23 THR 6 -2.022 -4.771 9.925 58 H ILE 7 HN ILE 7 1.686 -4.845 8.781 59 HA ILE 7 HA ILE 7 3.192 -6.674 6.999 60 HB ILE 7 HB ILE 7 3.872 -4.100 8.395 61 1HG1 ILE 7 HG12 ILE 7 4.585 -5.002 5.595 62 2HG1 ILE 7 HG11 ILE 7 3.009 -4.303 5.966 63 1HG2 ILE 7 HG21 ILE 7 5.763 -6.295 7.487 64 2HG2 ILE 7 HG22 ILE 7 5.729 -5.462 9.042 65 3HG2 ILE 7 HG23 ILE 7 6.281 -4.610 7.600 66 1HD1 ILE 7 HD11 ILE 7 3.946 -2.228 6.596 67 2HD1 ILE 7 HD12 ILE 7 4.865 -2.694 5.165 68 3HD1 ILE 7 HD13 ILE 7 5.564 -2.910 6.769 69 H ALA 8 HN ALA 8 4.166 -8.401 7.942 70 HA ALA 8 HA ALA 8 3.608 -9.086 10.619 71 1HB ALA 8 HB1 ALA 8 5.208 -10.933 10.241 72 2HB ALA 8 HB2 ALA 8 5.719 -10.160 8.737 73 3HB ALA 8 HB3 ALA 8 4.072 -10.769 8.901 74 H LYS 9 HN LYS 9 4.561 -8.672 12.365 75 HA LYS 9 HA LYS 9 6.502 -6.697 12.648 76 1HB LYS 9 HB2 LYS 9 4.892 -7.226 14.441 77 2HB LYS 9 HB1 LYS 9 5.642 -8.799 14.666 78 1HG LYS 9 HG2 LYS 9 7.757 -7.702 15.349 79 2HG LYS 9 HG1 LYS 9 7.011 -6.117 15.131 80 1HD LYS 9 HD2 LYS 9 5.371 -6.601 16.858 81 2HD LYS 9 HD1 LYS 9 5.987 -8.245 17.024 82 1HE LYS 9 HE2 LYS 9 7.762 -5.834 17.424 83 2HE LYS 9 HE1 LYS 9 6.819 -6.526 18.744 84 1HZ LYS 9 HZ1 LYS 9 8.788 -7.995 17.076 85 2HZ LYS 9 HZ2 LYS 9 7.886 -8.650 18.359 86 3HZ LYS 9 HZ3 LYS 9 9.050 -7.451 18.660 87 H THR 10 HN THR 10 6.888 -10.091 12.137 88 HA THR 10 HA THR 10 9.498 -10.434 13.178 89 HB THR 10 HB THR 10 9.599 -12.289 11.455 90 HG1 THR 10 HG1 THR 10 7.871 -12.599 10.182 91 1HG2 THR 10 HG21 THR 10 8.852 -12.894 13.620 92 2HG2 THR 10 HG22 THR 10 7.614 -13.519 12.532 93 3HG2 THR 10 HG23 THR 10 7.328 -12.029 13.428 94 H SER 11 HN SER 11 8.315 -8.494 10.663 95 HA SER 11 HA SER 11 11.024 -8.265 9.451 96 1HB SER 11 HB2 SER 11 8.298 -7.984 8.169 97 2HB SER 11 HB1 SER 11 9.797 -7.480 7.396 98 HG SER 11 HG SER 11 10.211 -9.901 8.306 99 HA PRO 12 HA PRO 12 9.869 -4.119 11.252 100 1HB PRO 12 HB2 PRO 12 12.537 -3.913 12.330 101 2HB PRO 12 HB1 PRO 12 11.035 -4.134 13.242 102 1HG PRO 12 HG2 PRO 12 13.081 -6.016 13.004 103 2HG PRO 12 HG1 PRO 12 11.429 -6.348 13.547 104 1HD PRO 12 HD2 PRO 12 12.682 -6.894 10.891 105 2HD PRO 12 HD1 PRO 12 11.363 -7.739 11.714 106 H LEU 13 HN LEU 13 9.955 -2.315 10.272 107 HA LEU 13 HA LEU 13 12.070 -1.967 8.236 108 1HB LEU 13 HB2 LEU 13 9.416 -0.512 8.438 109 2HB LEU 13 HB1 LEU 13 10.529 -0.527 7.073 110 HG LEU 13 HG LEU 13 8.888 -2.854 8.109 111 1HD1 LEU 13 HD11 LEU 13 7.752 -1.206 6.592 112 2HD1 LEU 13 HD12 LEU 13 7.879 -2.819 5.894 113 3HD1 LEU 13 HD13 LEU 13 8.979 -1.547 5.368 114 1HD2 LEU 13 HD21 LEU 13 9.984 -3.994 6.021 115 2HD2 LEU 13 HD22 LEU 13 10.909 -3.906 7.518 116 3HD2 LEU 13 HD23 LEU 13 11.237 -2.768 6.213 117 HA PRO 14 HA PRO 14 14.014 1.100 10.676 118 1HB PRO 14 HB2 PRO 14 14.201 3.169 8.639 119 2HB PRO 14 HB1 PRO 14 15.478 2.087 9.219 120 1HG PRO 14 HG2 PRO 14 13.908 1.924 6.769 121 2HG PRO 14 HG1 PRO 14 15.369 1.036 7.218 122 1HD PRO 14 HD2 PRO 14 12.810 -0.078 7.037 123 2HD PRO 14 HD1 PRO 14 14.168 -0.797 7.922 124 H ALA 15 HN ALA 15 13.675 2.911 11.845 125 HA ALA 15 HA ALA 15 11.087 3.610 12.547 126 1HB ALA 15 HB1 ALA 15 13.534 5.316 12.970 127 2HB ALA 15 HB2 ALA 15 13.164 3.870 13.910 128 3HB ALA 15 HB3 ALA 15 12.079 5.261 13.965 129 H GLY 16 HN GLY 16 10.957 4.031 9.802 130 1HA GLY 16 HA2 GLY 16 9.879 6.666 9.650 131 2HA GLY 16 HA1 GLY 16 11.422 6.614 8.840 132 H ALA 17 HN ALA 17 10.814 3.661 8.327 133 HA ALA 17 HA ALA 17 9.940 4.045 5.641 134 1HB ALA 17 HB1 ALA 17 9.948 1.386 5.811 135 2HB ALA 17 HB2 ALA 17 10.824 1.741 7.303 136 3HB ALA 17 HB3 ALA 17 11.455 2.303 5.762 137 H ILE 18 HN ILE 18 8.135 2.752 8.397 138 HA ILE 18 HA ILE 18 6.000 1.781 6.855 139 HB ILE 18 HB ILE 18 6.086 2.938 9.647 140 1HG1 ILE 18 HG12 ILE 18 7.261 0.698 8.937 141 2HG1 ILE 18 HG11 ILE 18 6.287 0.733 10.399 142 1HG2 ILE 18 HG21 ILE 18 3.844 1.686 9.869 143 2HG2 ILE 18 HG22 ILE 18 3.793 1.724 8.106 144 3HG2 ILE 18 HG23 ILE 18 3.826 3.233 9.019 145 1HD1 ILE 18 HD11 ILE 18 4.565 -0.508 9.454 146 2HD1 ILE 18 HD12 ILE 18 5.964 -1.206 8.642 147 3HD1 ILE 18 HD13 ILE 18 4.966 -0.017 7.811 148 H ASP 19 HN ASP 19 6.493 4.956 8.387 149 HA ASP 19 HA ASP 19 4.110 6.121 7.364 150 1HB ASP 19 HB2 ASP 19 5.420 7.132 9.240 151 2HB ASP 19 HB1 ASP 19 6.706 7.518 8.097 152 H ALA 20 HN ALA 20 7.363 5.808 5.983 153 HA ALA 20 HA ALA 20 6.774 7.502 3.803 154 1HB ALA 20 HB1 ALA 20 8.839 6.861 2.893 155 2HB ALA 20 HB2 ALA 20 8.746 5.237 3.582 156 3HB ALA 20 HB3 ALA 20 9.083 6.618 4.625 157 H LEU 21 HN LEU 21 6.469 4.005 4.249 158 HA LEU 21 HA LEU 21 5.773 3.307 1.650 159 1HB LEU 21 HB2 LEU 21 6.458 1.676 3.313 160 2HB LEU 21 HB1 LEU 21 5.076 2.076 4.325 161 HG LEU 21 HG LEU 21 3.580 1.292 2.497 162 1HD1 LEU 21 HD11 LEU 21 6.234 0.587 1.246 163 2HD1 LEU 21 HD12 LEU 21 4.895 1.478 0.521 164 3HD1 LEU 21 HD13 LEU 21 4.752 -0.255 0.800 165 1HD2 LEU 21 HD21 LEU 21 3.926 -1.074 2.943 166 2HD2 LEU 21 HD22 LEU 21 4.300 -0.159 4.402 167 3HD2 LEU 21 HD23 LEU 21 5.605 -0.772 3.390 168 H ALA 22 HN ALA 22 3.739 4.154 4.419 169 HA ALA 22 HA ALA 22 1.223 3.862 3.121 170 1HB ALA 22 HB1 ALA 22 0.298 4.993 4.978 171 2HB ALA 22 HB2 ALA 22 1.791 5.878 5.291 172 3HB ALA 22 HB3 ALA 22 1.698 4.153 5.644 173 H GLY 23 HN GLY 23 3.438 6.636 3.292 174 1HA GLY 23 HA2 GLY 23 1.649 8.443 1.970 175 2HA GLY 23 HA1 GLY 23 3.409 8.605 2.175 176 H GLU 24 HN GLU 24 4.296 6.337 0.725 177 HA GLU 24 HA GLU 24 3.973 7.296 -1.917 178 1HB GLU 24 HB2 GLU 24 6.006 6.056 -1.079 179 2HB GLU 24 HB1 GLU 24 5.048 4.577 -1.089 180 1HG GLU 24 HG2 GLU 24 6.299 4.698 -3.167 181 2HG GLU 24 HG1 GLU 24 4.593 4.948 -3.528 182 H LEU 25 HN LEU 25 2.534 4.565 -0.197 183 HA LEU 25 HA LEU 25 1.246 3.454 -2.447 184 1HB LEU 25 HB2 LEU 25 0.579 3.304 0.493 185 2HB LEU 25 HB1 LEU 25 -0.289 2.391 -0.738 186 HG LEU 25 HG LEU 25 2.709 2.237 -0.288 187 1HD1 LEU 25 HD11 LEU 25 1.289 1.372 1.616 188 2HD1 LEU 25 HD12 LEU 25 2.313 0.153 0.859 189 3HD1 LEU 25 HD13 LEU 25 0.591 0.213 0.486 190 1HD2 LEU 25 HD21 LEU 25 2.440 1.469 -2.474 191 2HD2 LEU 25 HD22 LEU 25 0.788 0.916 -2.193 192 3HD2 LEU 25 HD23 LEU 25 2.150 -0.027 -1.594 193 H SER 26 HN SER 26 0.156 5.899 -0.126 194 HA SER 26 HA SER 26 -2.517 6.059 -1.004 195 1HB SER 26 HB2 SER 26 -2.619 8.158 0.146 196 2HB SER 26 HB1 SER 26 -1.553 7.110 1.079 197 HG SER 26 HG SER 26 -0.888 9.226 -0.680 198 H ARG 27 HN ARG 27 0.380 7.873 -2.062 199 HA ARG 27 HA ARG 27 -0.945 9.560 -3.901 200 1HB ARG 27 HB2 ARG 27 1.878 8.457 -3.867 201 2HB ARG 27 HB1 ARG 27 1.321 9.671 -5.018 202 1HG ARG 27 HG2 ARG 27 0.732 11.173 -3.156 203 2HG ARG 27 HG1 ARG 27 1.286 9.961 -2.000 204 1HD ARG 27 HD2 ARG 27 3.545 10.057 -2.985 205 2HD ARG 27 HD1 ARG 27 2.996 11.276 -4.131 206 HE ARG 27 HE ARG 27 3.512 11.665 -1.283 207 1HH1 ARG 27 HH21 ARG 27 3.255 13.053 -4.353 208 2HH1 ARG 27 HH22 ARG 27 2.762 14.617 -3.799 209 1HH2 ARG 27 HH11 ARG 27 2.383 13.615 -0.498 210 2HH2 ARG 27 HH12 ARG 27 2.266 14.936 -1.613 211 H ARG 28 HN ARG 28 0.442 6.327 -4.273 212 HA ARG 28 HA ARG 28 0.039 6.070 -7.053 213 1HB ARG 28 HB2 ARG 28 0.146 3.999 -4.851 214 2HB ARG 28 HB1 ARG 28 0.166 3.617 -6.568 215 1HG ARG 28 HG2 ARG 28 2.175 5.562 -5.445 216 2HG ARG 28 HG1 ARG 28 2.443 3.830 -5.282 217 1HD ARG 28 HD2 ARG 28 1.986 5.282 -7.910 218 2HD ARG 28 HD1 ARG 28 3.540 4.730 -7.305 219 HE ARG 28 HE ARG 28 2.001 2.471 -7.288 220 1HH1 ARG 28 HH11 ARG 28 4.303 2.720 -9.167 221 2HH1 ARG 28 HH12 ARG 28 3.545 2.586 -10.719 222 1HH2 ARG 28 HH21 ARG 28 0.358 3.228 -9.513 223 2HH2 ARG 28 HH22 ARG 28 1.311 2.879 -10.914 224 H ILE 29 HN ILE 29 -2.014 5.339 -4.287 225 HA ILE 29 HA ILE 29 -4.092 4.067 -5.742 226 HB ILE 29 HB ILE 29 -3.995 5.364 -3.028 227 1HG1 ILE 29 HG12 ILE 29 -2.736 3.253 -3.365 228 2HG1 ILE 29 HG11 ILE 29 -4.067 3.042 -2.240 229 1HG2 ILE 29 HG21 ILE 29 -6.216 4.058 -2.714 230 2HG2 ILE 29 HG22 ILE 29 -6.326 4.114 -4.474 231 3HG2 ILE 29 HG23 ILE 29 -6.276 5.613 -3.544 232 1HD1 ILE 29 HD11 ILE 29 -4.415 1.181 -3.558 233 2HD1 ILE 29 HD12 ILE 29 -3.688 1.916 -4.979 234 3HD1 ILE 29 HD13 ILE 29 -5.336 2.328 -4.523 235 H GLN 30 HN GLN 30 -3.629 7.394 -4.721 236 HA GLN 30 HA GLN 30 -6.156 8.361 -5.669 237 1HB GLN 30 HB2 GLN 30 -3.537 9.767 -5.089 238 2HB GLN 30 HB1 GLN 30 -4.988 10.618 -5.609 239 1HG GLN 30 HG2 GLN 30 -6.209 9.806 -3.637 240 2HG GLN 30 HG1 GLN 30 -4.811 8.867 -3.124 241 1HE2 GLN 30 HE21 GLN 30 -3.355 9.919 -1.759 242 2HE2 GLN 30 HE22 GLN 30 -3.321 11.596 -1.499 243 H TYR 31 HN TYR 31 -2.979 8.125 -7.318 244 HA TYR 31 HA TYR 31 -3.885 9.517 -9.608 245 1HB TYR 31 HB2 TYR 31 -1.483 9.173 -9.131 246 2HB TYR 31 HB1 TYR 31 -1.691 7.436 -9.343 247 HD1 TYR 31 HD1 TYR 31 -2.287 6.505 -11.587 248 HD2 TYR 31 HD2 TYR 31 -1.339 10.656 -11.013 249 HE1 TYR 31 HE1 TYR 31 -1.930 6.761 -14.027 250 HE2 TYR 31 HE2 TYR 31 -0.986 10.912 -13.453 251 HH TYR 31 HH TYR 31 -1.664 9.811 -15.533 252 H ALA 32 HN ALA 32 -3.910 6.098 -8.712 253 HA ALA 32 HA ALA 32 -4.852 5.161 -11.231 254 1HB ALA 32 HB1 ALA 32 -5.241 3.778 -8.585 255 2HB ALA 32 HB2 ALA 32 -3.687 3.821 -9.415 256 3HB ALA 32 HB3 ALA 32 -5.076 3.052 -10.183 257 H PHE 33 HN PHE 33 -6.423 6.189 -8.260 258 HA PHE 33 HA PHE 33 -9.102 5.799 -9.500 259 1HB PHE 33 HB2 PHE 33 -8.265 5.682 -6.601 260 2HB PHE 33 HB1 PHE 33 -9.932 5.595 -7.177 261 HD1 PHE 33 HD1 PHE 33 -10.660 3.707 -8.638 262 HD2 PHE 33 HD2 PHE 33 -6.774 3.809 -6.814 263 HE1 PHE 33 HE1 PHE 33 -10.378 1.287 -9.101 264 HE2 PHE 33 HE2 PHE 33 -6.492 1.389 -7.275 265 HZ PHE 33 HZ PHE 33 -8.294 0.127 -8.420 266 HA PRO 34 HA PRO 34 -8.580 10.321 -8.814 267 1HB PRO 34 HB2 PRO 34 -10.147 10.789 -11.217 268 2HB PRO 34 HB1 PRO 34 -8.434 11.133 -10.928 269 1HG PRO 34 HG2 PRO 34 -9.404 9.181 -12.641 270 2HG PRO 34 HG1 PRO 34 -7.767 9.231 -11.969 271 1HD PRO 34 HD2 PRO 34 -10.088 7.537 -11.146 272 2HD PRO 34 HD1 PRO 34 -8.343 7.189 -11.088 273 H ASP 35 HN ASP 35 -11.400 8.432 -9.616 274 HA ASP 35 HA ASP 35 -13.313 10.435 -8.717 275 1HB ASP 35 HB2 ASP 35 -13.690 9.085 -10.749 276 2HB ASP 35 HB1 ASP 35 -13.797 7.643 -9.740 277 H ASN 36 HN ASN 36 -11.667 7.819 -7.119 278 HA ASN 36 HA ASN 36 -13.878 7.684 -5.127 279 1HB ASN 36 HB2 ASN 36 -12.002 5.545 -6.084 280 2HB ASN 36 HB1 ASN 36 -12.971 5.390 -4.620 281 1HD2 ASN 36 HD21 ASN 36 -13.376 3.685 -6.914 282 2HD2 ASN 36 HD22 ASN 36 -14.910 4.030 -7.552 283 H GLU 37 HN GLU 37 -13.282 8.298 -2.975 284 HA GLU 37 HA GLU 37 -10.755 9.271 -2.283 285 1HB GLU 37 HB2 GLU 37 -13.010 8.128 -0.629 286 2HB GLU 37 HB1 GLU 37 -11.722 9.175 -0.046 287 1HG GLU 37 HG2 GLU 37 -12.516 10.996 -1.546 288 2HG GLU 37 HG1 GLU 37 -13.792 9.933 -2.146 289 H GLY 38 HN GLY 38 -8.953 8.093 -1.818 290 1HA GLY 38 HA2 GLY 38 -9.238 5.222 -1.023 291 2HA GLY 38 HA1 GLY 38 -7.892 5.761 -1.778 292 H HIS 39 HN HIS 39 -8.765 4.841 1.240 293 HA HIS 39 HA HIS 39 -6.913 6.758 2.531 294 1HB HIS 39 HB2 HIS 39 -9.184 6.787 3.496 295 2HB HIS 39 HB1 HIS 39 -9.090 5.049 3.778 296 HD1 HIS 39 HD1 HIS 39 -7.842 4.261 5.846 297 HD2 HIS 39 HD2 HIS 39 -7.325 8.335 5.126 298 HE1 HIS 39 HE1 HIS 39 -6.669 5.206 7.883 299 H VAL 40 HN VAL 40 -4.952 5.800 3.048 300 HA VAL 40 HA VAL 40 -4.821 2.860 3.082 301 HB VAL 40 HB VAL 40 -2.706 4.905 2.408 302 1HG1 VAL 40 HG11 VAL 40 -1.637 2.973 3.318 303 2HG1 VAL 40 HG12 VAL 40 -1.537 2.809 1.567 304 3HG1 VAL 40 HG13 VAL 40 -2.733 1.884 2.470 305 1HG2 VAL 40 HG21 VAL 40 -3.006 4.025 0.107 306 2HG2 VAL 40 HG22 VAL 40 -4.498 4.749 0.713 307 3HG2 VAL 40 HG23 VAL 40 -4.318 2.995 0.680 308 H SER 41 HN SER 41 -4.162 1.882 4.864 309 HA SER 41 HA SER 41 -2.688 3.427 6.924 310 1HB SER 41 HB2 SER 41 -4.969 1.487 7.366 311 2HB SER 41 HB1 SER 41 -3.881 2.004 8.651 312 HG SER 41 HG SER 41 -5.749 3.488 7.161 313 H VAL 42 HN VAL 42 -1.032 2.416 7.955 314 HA VAL 42 HA VAL 42 -0.483 -0.398 7.228 315 HB VAL 42 HB VAL 42 1.580 1.829 7.292 316 1HG1 VAL 42 HG11 VAL 42 1.764 -1.132 6.680 317 2HG1 VAL 42 HG12 VAL 42 2.529 -0.270 8.015 318 3HG1 VAL 42 HG13 VAL 42 3.057 0.022 6.360 319 1HG2 VAL 42 HG21 VAL 42 1.655 1.764 4.934 320 2HG2 VAL 42 HG22 VAL 42 -0.072 1.704 5.283 321 3HG2 VAL 42 HG23 VAL 42 0.793 0.229 4.854 322 H ARG 43 HN ARG 43 -0.053 -1.670 8.904 323 HA ARG 43 HA ARG 43 1.135 -0.506 11.312 324 1HB ARG 43 HB2 ARG 43 -1.422 -2.122 11.488 325 2HB ARG 43 HB1 ARG 43 -0.584 -1.303 12.805 326 1HG ARG 43 HG2 ARG 43 -0.967 0.869 11.567 327 2HG ARG 43 HG1 ARG 43 -2.007 -0.031 10.462 328 1HD ARG 43 HD2 ARG 43 -3.387 -0.754 12.403 329 2HD ARG 43 HD1 ARG 43 -2.378 0.230 13.458 330 HE ARG 43 HE ARG 43 -3.370 2.167 12.563 331 1HH1 ARG 43 HH21 ARG 43 -3.778 -0.200 10.169 332 2HH1 ARG 43 HH22 ARG 43 -5.340 0.344 9.656 333 1HH2 ARG 43 HH11 ARG 43 -5.674 2.657 12.214 334 2HH2 ARG 43 HH12 ARG 43 -6.410 1.961 10.810 335 H TYR 44 HN TYR 44 1.848 -2.148 12.873 336 HA TYR 44 HA TYR 44 2.823 -4.566 11.538 337 1HB TYR 44 HB2 TYR 44 3.209 -3.487 14.353 338 2HB TYR 44 HB1 TYR 44 3.940 -4.968 13.752 339 HD1 TYR 44 HD1 TYR 44 5.171 -4.656 11.367 340 HD2 TYR 44 HD2 TYR 44 4.532 -1.562 14.280 341 HE1 TYR 44 HE1 TYR 44 7.057 -3.365 10.414 342 HE2 TYR 44 HE2 TYR 44 6.418 -0.272 13.327 343 HH TYR 44 HH TYR 44 7.906 -0.142 11.673 344 H ALA 45 HN ALA 45 2.145 -6.591 11.837 345 HA ALA 45 HA ALA 45 0.108 -7.141 13.887 346 1HB ALA 45 HB1 ALA 45 -1.057 -6.566 11.741 347 2HB ALA 45 HB2 ALA 45 -1.352 -8.218 12.285 348 3HB ALA 45 HB3 ALA 45 -0.211 -7.911 10.977 349 H ALA 46 HN ALA 46 -0.287 -9.578 14.007 350 HA ALA 46 HA ALA 46 2.198 -10.876 14.324 351 1HB ALA 46 HB1 ALA 46 -0.593 -12.065 14.151 352 2HB ALA 46 HB2 ALA 46 0.252 -11.598 15.627 353 3HB ALA 46 HB3 ALA 46 0.840 -12.954 14.665 354 H ALA 47 HN ALA 47 0.057 -10.668 11.559 355 HA ALA 47 HA ALA 47 2.075 -12.184 10.015 356 1HB ALA 47 HB1 ALA 47 0.180 -13.702 10.616 357 2HB ALA 47 HB2 ALA 47 0.371 -13.470 8.878 358 3HB ALA 47 HB3 ALA 47 -0.908 -12.620 9.747 359 H ASN 48 HN ASN 48 2.192 -11.739 7.791 360 HA ASN 48 HA ASN 48 1.527 -9.034 7.023 361 1HB ASN 48 HB2 ASN 48 3.520 -10.218 6.121 362 2HB ASN 48 HB1 ASN 48 2.451 -11.372 5.324 363 1HD2 ASN 48 HD21 ASN 48 3.373 -7.915 5.372 364 2HD2 ASN 48 HD22 ASN 48 2.813 -7.583 3.804 365 H ASN 49 HN ASN 49 -0.411 -8.394 6.180 366 HA ASN 49 HA ASN 49 -2.016 -10.260 4.604 367 1HB ASN 49 HB2 ASN 49 -2.955 -9.088 7.222 368 2HB ASN 49 HB1 ASN 49 -4.062 -9.667 5.983 369 1HD2 ASN 49 HD21 ASN 49 -3.521 -10.792 8.730 370 2HD2 ASN 49 HD22 ASN 49 -3.059 -12.403 8.463 371 H LEU 50 HN LEU 50 -3.531 -9.223 3.266 372 HA LEU 50 HA LEU 50 -3.447 -6.262 3.219 373 1HB LEU 50 HB2 LEU 50 -2.071 -7.307 1.379 374 2HB LEU 50 HB1 LEU 50 -3.517 -8.155 0.840 375 HG LEU 50 HG LEU 50 -4.578 -5.733 0.768 376 1HD1 LEU 50 HD11 LEU 50 -1.757 -4.900 0.136 377 2HD1 LEU 50 HD12 LEU 50 -2.310 -4.852 1.808 378 3HD1 LEU 50 HD13 LEU 50 -3.146 -3.909 0.580 379 1HD2 LEU 50 HD21 LEU 50 -2.638 -6.904 -1.239 380 2HD2 LEU 50 HD22 LEU 50 -3.559 -5.440 -1.581 381 3HD2 LEU 50 HD23 LEU 50 -4.402 -6.955 -1.263 382 H SER 51 HN SER 51 -5.514 -5.479 3.517 383 HA SER 51 HA SER 51 -7.780 -7.196 2.662 384 1HB SER 51 HB2 SER 51 -7.470 -5.430 5.092 385 2HB SER 51 HB1 SER 51 -9.023 -6.046 4.535 386 HG SER 51 HG SER 51 -7.245 -7.268 6.039 387 H VAL 52 HN VAL 52 -9.151 -6.202 1.243 388 HA VAL 52 HA VAL 52 -9.076 -3.257 1.018 389 HB VAL 52 HB VAL 52 -9.402 -5.272 -1.222 390 1HG1 VAL 52 HG11 VAL 52 -9.640 -2.257 -1.103 391 2HG1 VAL 52 HG12 VAL 52 -10.832 -3.415 -1.692 392 3HG1 VAL 52 HG13 VAL 52 -9.355 -3.125 -2.612 393 1HG2 VAL 52 HG21 VAL 52 -7.317 -4.162 -2.064 394 2HG2 VAL 52 HG22 VAL 52 -7.070 -5.012 -0.539 395 3HG2 VAL 52 HG23 VAL 52 -7.231 -3.256 -0.553 396 H ILE 53 HN ILE 53 -11.017 -2.322 1.416 397 HA ILE 53 HA ILE 53 -13.453 -3.999 1.156 398 HB ILE 53 HB ILE 53 -12.858 -1.812 3.167 399 1HG1 ILE 53 HG12 ILE 53 -13.313 -4.759 3.709 400 2HG1 ILE 53 HG11 ILE 53 -11.698 -4.098 3.443 401 1HG2 ILE 53 HG21 ILE 53 -15.268 -3.579 2.681 402 2HG2 ILE 53 HG22 ILE 53 -15.204 -1.817 2.634 403 3HG2 ILE 53 HG23 ILE 53 -15.022 -2.667 4.168 404 1HD1 ILE 53 HD11 ILE 53 -12.419 -4.235 5.873 405 2HD1 ILE 53 HD12 ILE 53 -13.609 -2.986 5.507 406 3HD1 ILE 53 HD13 ILE 53 -11.889 -2.641 5.337 407 H GLY 54 HN GLY 54 -14.984 -3.237 -0.169 408 1HA GLY 54 HA2 GLY 54 -16.413 -1.578 -1.061 409 2HA GLY 54 HA1 GLY 54 -15.232 -0.350 -0.618 410 H ALA 55 HN ALA 55 -13.899 -3.089 -2.228 411 HA ALA 55 HA ALA 55 -13.842 -1.560 -4.776 412 1HB ALA 55 HB1 ALA 55 -11.577 -2.095 -5.102 413 2HB ALA 55 HB2 ALA 55 -11.609 -3.379 -3.893 414 3HB ALA 55 HB3 ALA 55 -11.660 -1.692 -3.388 415 H THR 56 HN THR 56 -13.397 -2.772 -6.671 416 HA THR 56 HA THR 56 -14.874 -5.327 -6.924 417 HB THR 56 HB THR 56 -14.748 -4.805 -9.265 418 HG1 THR 56 HG1 THR 56 -13.429 -3.327 -10.029 419 1HG2 THR 56 HG21 THR 56 -15.499 -2.404 -7.575 420 2HG2 THR 56 HG22 THR 56 -16.563 -3.722 -8.064 421 3HG2 THR 56 HG23 THR 56 -15.938 -2.599 -9.271 422 H LYS 57 HN LYS 57 -13.949 -7.017 -8.091 423 HA LYS 57 HA LYS 57 -11.458 -7.834 -7.182 424 1HB LYS 57 HB2 LYS 57 -12.955 -8.773 -9.647 425 2HB LYS 57 HB1 LYS 57 -11.667 -9.656 -8.831 426 1HG LYS 57 HG2 LYS 57 -13.006 -10.006 -6.873 427 2HG LYS 57 HG1 LYS 57 -14.197 -8.807 -7.392 428 1HD LYS 57 HD2 LYS 57 -15.072 -11.048 -7.790 429 2HD LYS 57 HD1 LYS 57 -14.758 -10.260 -9.336 430 1HE LYS 57 HE2 LYS 57 -12.651 -11.995 -8.051 431 2HE LYS 57 HE1 LYS 57 -13.945 -12.713 -9.008 432 1HZ LYS 57 HZ1 LYS 57 -13.020 -10.569 -10.474 433 2HZ LYS 57 HZ2 LYS 57 -12.761 -12.217 -10.796 434 3HZ LYS 57 HZ3 LYS 57 -11.628 -11.337 -9.887 435 H GLU 58 HN GLU 58 -12.233 -6.303 -10.378 436 HA GLU 58 HA GLU 58 -9.613 -6.660 -11.414 437 1HB GLU 58 HB2 GLU 58 -11.652 -6.143 -12.777 438 2HB GLU 58 HB1 GLU 58 -11.646 -4.520 -12.088 439 1HG GLU 58 HG2 GLU 58 -9.383 -4.140 -12.990 440 2HG GLU 58 HG1 GLU 58 -9.382 -5.764 -13.676 441 H ASP 59 HN ASP 59 -11.155 -4.158 -9.456 442 HA ASP 59 HA ASP 59 -9.056 -2.267 -9.597 443 1HB ASP 59 HB2 ASP 59 -11.172 -2.793 -7.494 444 2HB ASP 59 HB1 ASP 59 -10.043 -1.443 -7.406 445 H LYS 60 HN LYS 60 -9.842 -4.916 -7.413 446 HA LYS 60 HA LYS 60 -7.657 -4.559 -5.653 447 1HB LYS 60 HB2 LYS 60 -9.642 -5.948 -5.075 448 2HB LYS 60 HB1 LYS 60 -9.149 -7.127 -6.290 449 1HG LYS 60 HG2 LYS 60 -7.022 -7.488 -5.082 450 2HG LYS 60 HG1 LYS 60 -7.512 -6.306 -3.869 451 1HD LYS 60 HD2 LYS 60 -9.379 -7.691 -3.187 452 2HD LYS 60 HD1 LYS 60 -9.085 -8.816 -4.515 453 1HE LYS 60 HE2 LYS 60 -6.811 -9.266 -3.544 454 2HE LYS 60 HE1 LYS 60 -7.259 -8.277 -2.157 455 1HZ LYS 60 HZ1 LYS 60 -8.526 -9.894 -1.325 456 2HZ LYS 60 HZ2 LYS 60 -7.707 -10.930 -2.392 457 3HZ LYS 60 HZ3 LYS 60 -9.213 -10.276 -2.827 458 H GLN 61 HN GLN 61 -7.844 -6.433 -8.704 459 HA GLN 61 HA GLN 61 -5.258 -7.598 -8.361 460 1HB GLN 61 HB2 GLN 61 -6.880 -6.964 -10.845 461 2HB GLN 61 HB1 GLN 61 -5.337 -7.816 -10.884 462 1HG GLN 61 HG2 GLN 61 -6.247 -9.586 -9.459 463 2HG GLN 61 HG1 GLN 61 -7.780 -8.723 -9.333 464 1HE2 GLN 61 HE21 GLN 61 -7.485 -11.402 -10.481 465 2HE2 GLN 61 HE22 GLN 61 -7.935 -11.290 -12.115 466 H ARG 62 HN ARG 62 -6.418 -4.555 -9.902 467 HA ARG 62 HA ARG 62 -3.892 -3.792 -10.860 468 1HB ARG 62 HB2 ARG 62 -6.310 -2.161 -10.071 469 2HB ARG 62 HB1 ARG 62 -4.828 -1.379 -10.606 470 1HG ARG 62 HG2 ARG 62 -6.131 -3.535 -12.257 471 2HG ARG 62 HG1 ARG 62 -6.655 -1.859 -12.360 472 1HD ARG 62 HD2 ARG 62 -4.253 -1.227 -12.848 473 2HD ARG 62 HD1 ARG 62 -3.895 -2.946 -12.977 474 HE ARG 62 HE ARG 62 -6.100 -2.322 -14.636 475 1HH1 ARG 62 HH21 ARG 62 -2.671 -1.953 -14.345 476 2HH1 ARG 62 HH22 ARG 62 -2.410 -1.766 -16.047 477 1HH2 ARG 62 HH11 ARG 62 -5.770 -2.033 -16.861 478 2HH2 ARG 62 HH12 ARG 62 -4.164 -1.815 -17.472 479 H ILE 63 HN ILE 63 -5.482 -3.177 -7.778 480 HA ILE 63 HA ILE 63 -3.405 -1.591 -6.756 481 HB ILE 63 HB ILE 63 -5.393 -3.310 -5.301 482 1HG1 ILE 63 HG12 ILE 63 -5.278 -0.298 -5.556 483 2HG1 ILE 63 HG11 ILE 63 -6.208 -1.310 -6.658 484 1HG2 ILE 63 HG21 ILE 63 -4.767 -1.836 -3.327 485 2HG2 ILE 63 HG22 ILE 63 -3.367 -1.323 -4.270 486 3HG2 ILE 63 HG23 ILE 63 -3.543 -3.015 -3.804 487 1HD1 ILE 63 HD11 ILE 63 -7.552 -0.387 -4.735 488 2HD1 ILE 63 HD12 ILE 63 -6.554 -1.354 -3.649 489 3HD1 ILE 63 HD13 ILE 63 -7.574 -2.147 -4.849 490 H SER 64 HN SER 64 -3.869 -5.080 -6.712 491 HA SER 64 HA SER 64 -1.578 -5.661 -5.158 492 1HB SER 64 HB2 SER 64 -2.810 -7.289 -7.398 493 2HB SER 64 HB1 SER 64 -1.617 -7.881 -6.245 494 HG SER 64 HG SER 64 -4.056 -8.123 -5.866 495 H GLU 65 HN GLU 65 -1.996 -5.255 -8.733 496 HA GLU 65 HA GLU 65 0.712 -5.741 -9.350 497 1HB GLU 65 HB2 GLU 65 -1.449 -4.190 -10.801 498 2HB GLU 65 HB1 GLU 65 0.155 -4.469 -11.480 499 1HG GLU 65 HG2 GLU 65 -1.662 -6.692 -10.516 500 2HG GLU 65 HG1 GLU 65 -1.593 -6.155 -12.192 501 H ILE 66 HN ILE 66 -1.065 -2.733 -8.663 502 HA ILE 66 HA ILE 66 1.069 -0.972 -9.143 503 HB ILE 66 HB ILE 66 -1.360 -0.755 -7.370 504 1HG1 ILE 66 HG12 ILE 66 -0.842 0.871 -9.852 505 2HG1 ILE 66 HG11 ILE 66 -1.274 -0.820 -10.065 506 1HG2 ILE 66 HG21 ILE 66 0.818 1.251 -7.954 507 2HG2 ILE 66 HG22 ILE 66 0.188 0.756 -6.382 508 3HG2 ILE 66 HG23 ILE 66 -0.804 1.737 -7.462 509 1HD1 ILE 66 HD11 ILE 66 -2.906 1.212 -8.507 510 2HD1 ILE 66 HD12 ILE 66 -3.338 -0.475 -8.775 511 3HD1 ILE 66 HD13 ILE 66 -3.270 0.634 -10.135 512 H LEU 67 HN LEU 67 0.064 -2.629 -6.205 513 HA LEU 67 HA LEU 67 2.034 -1.552 -4.479 514 1HB LEU 67 HB2 LEU 67 0.230 -2.761 -3.462 515 2HB LEU 67 HB1 LEU 67 0.482 -4.153 -4.503 516 HG LEU 67 HG LEU 67 2.746 -4.485 -3.343 517 1HD1 LEU 67 HD11 LEU 67 2.728 -3.446 -0.975 518 2HD1 LEU 67 HD12 LEU 67 1.573 -2.285 -1.623 519 3HD1 LEU 67 HD13 LEU 67 3.196 -2.391 -2.307 520 1HD2 LEU 67 HD21 LEU 67 1.656 -5.439 -1.292 521 2HD2 LEU 67 HD22 LEU 67 0.853 -5.887 -2.796 522 3HD2 LEU 67 HD23 LEU 67 0.160 -4.635 -1.767 523 H GLN 68 HN GLN 68 2.051 -4.360 -6.628 524 HA GLN 68 HA GLN 68 4.641 -5.254 -5.888 525 1HB GLN 68 HB2 GLN 68 3.113 -6.654 -7.228 526 2HB GLN 68 HB1 GLN 68 3.247 -5.512 -8.567 527 1HG GLN 68 HG2 GLN 68 5.601 -5.954 -8.812 528 2HG GLN 68 HG1 GLN 68 5.637 -6.892 -7.321 529 1HE2 GLN 68 HE21 GLN 68 6.560 -8.145 -9.628 530 2HE2 GLN 68 HE22 GLN 68 5.441 -9.314 -10.142 531 H GLU 69 HN GLU 69 3.626 -3.087 -8.590 532 HA GLU 69 HA GLU 69 6.200 -2.630 -9.528 533 1HB GLU 69 HB2 GLU 69 3.713 -0.916 -9.652 534 2HB GLU 69 HB1 GLU 69 5.186 -0.573 -10.561 535 1HG GLU 69 HG2 GLU 69 5.049 -2.794 -11.630 536 2HG GLU 69 HG1 GLU 69 3.577 -3.141 -10.726 537 H THR 70 HN THR 70 4.374 -0.681 -7.128 538 HA THR 70 HA THR 70 6.317 1.325 -6.809 539 HB THR 70 HB THR 70 4.407 0.240 -4.773 540 HG1 THR 70 HG1 THR 70 2.979 1.363 -5.794 541 1HG2 THR 70 HG21 THR 70 6.139 2.701 -4.852 542 2HG2 THR 70 HG22 THR 70 6.033 1.483 -3.582 543 3HG2 THR 70 HG23 THR 70 4.700 2.608 -3.837 544 H TRP 71 HN TRP 71 5.771 -1.652 -5.099 545 HA TRP 71 HA TRP 71 7.836 -1.520 -3.263 546 1HB TRP 71 HB2 TRP 71 5.891 -3.017 -3.198 547 2HB TRP 71 HB1 TRP 71 6.552 -3.911 -4.554 548 HD1 TRP 71 HD1 TRP 71 7.455 -6.107 -3.720 549 HE1 TRP 71 HE1 TRP 71 8.826 -6.925 -1.703 550 HE3 TRP 71 HE3 TRP 71 7.823 -1.750 -1.019 551 HZ2 TRP 71 HZ2 TRP 71 9.904 -5.908 0.724 552 HZ3 TRP 71 HZ3 TRP 71 9.013 -1.732 1.148 553 HH2 TRP 71 HH2 TRP 71 10.050 -3.802 2.025 554 H GLU 72 HN GLU 72 7.814 -2.735 -6.570 555 HA GLU 72 HA GLU 72 10.519 -3.659 -6.461 556 1HB GLU 72 HB2 GLU 72 8.661 -3.213 -8.805 557 2HB GLU 72 HB1 GLU 72 10.293 -3.865 -8.967 558 1HG GLU 72 HG2 GLU 72 8.203 -5.067 -7.139 559 2HG GLU 72 HG1 GLU 72 8.472 -5.615 -8.792 560 H SER 73 HN SER 73 9.172 -0.496 -6.934 561 HA SER 73 HA SER 73 11.713 0.413 -8.175 562 1HB SER 73 HB2 SER 73 10.533 2.380 -8.898 563 2HB SER 73 HB1 SER 73 9.558 0.980 -9.333 564 HG SER 73 HG SER 73 8.355 2.670 -8.312 565 H ALA 74 HN ALA 74 11.111 -0.210 -5.256 566 HA ALA 74 HA ALA 74 10.874 1.939 -3.640 567 1HB ALA 74 HB1 ALA 74 12.156 0.625 -2.001 568 2HB ALA 74 HB2 ALA 74 12.615 -0.483 -3.293 569 3HB ALA 74 HB3 ALA 74 10.919 -0.315 -2.838 570 H ASP 75 HN ASP 75 13.934 0.905 -5.133 571 HA ASP 75 HA ASP 75 15.641 2.536 -3.610 572 1HB ASP 75 HB2 ASP 75 16.361 0.697 -5.152 573 2HB ASP 75 HB1 ASP 75 16.028 1.770 -6.508 574 H ASP 76 HN ASP 76 13.424 3.416 -6.119 575 HA ASP 76 HA ASP 76 14.783 5.969 -6.676 576 1HB ASP 76 HB2 ASP 76 13.804 4.598 -8.510 577 2HB ASP 76 HB1 ASP 76 12.211 4.879 -7.812 578 H TRP 77 HN TRP 77 11.603 4.924 -5.339 579 HA TRP 77 HA TRP 77 11.036 7.740 -4.710 580 1HB TRP 77 HB2 TRP 77 8.831 7.125 -4.250 581 2HB TRP 77 HB1 TRP 77 9.298 6.175 -5.645 582 HD1 TRP 77 HD1 TRP 77 9.224 3.554 -5.412 583 HE1 TRP 77 HE1 TRP 77 8.598 1.949 -3.518 584 HE3 TRP 77 HE3 TRP 77 8.952 6.830 -1.378 585 HZ2 TRP 77 HZ2 TRP 77 8.075 1.988 -0.737 586 HZ3 TRP 77 HZ3 TRP 77 8.394 5.957 0.827 587 HH2 TRP 77 HH2 TRP 77 7.963 3.564 1.163 588 H PHE 78 HN PHE 78 12.270 4.979 -2.993 589 HA PHE 78 HA PHE 78 11.500 6.146 -0.408 590 1HB PHE 78 HB2 PHE 78 11.379 3.765 -0.434 591 2HB PHE 78 HB1 PHE 78 12.990 3.621 -1.109 592 HD1 PHE 78 HD1 PHE 78 14.998 3.965 0.242 593 HD2 PHE 78 HD2 PHE 78 11.069 4.411 1.948 594 HE1 PHE 78 HE1 PHE 78 15.980 3.956 2.506 595 HE2 PHE 78 HE2 PHE 78 12.071 4.398 4.213 596 HZ PHE 78 HZ PHE 78 14.519 4.167 4.497 597 H VAL 79 HN VAL 79 12.655 7.507 0.656 598 HA VAL 79 HA VAL 79 15.527 7.842 0.031 599 HB VAL 79 HB VAL 79 14.494 9.758 -0.866 600 1HG1 VAL 79 HG11 VAL 79 12.676 10.986 0.393 601 2HG1 VAL 79 HG12 VAL 79 12.644 9.641 1.531 602 3HG1 VAL 79 HG13 VAL 79 12.220 9.372 -0.164 603 1HG2 VAL 79 HG21 VAL 79 16.252 10.265 0.927 604 2HG2 VAL 79 HG22 VAL 79 14.905 10.651 1.999 605 3HG2 VAL 79 HG23 VAL 79 15.155 11.587 0.525 606 H SER 80 HN SER 80 16.914 7.914 1.909 607 HA SER 80 HA SER 80 15.539 7.828 4.545 608 1HB SER 80 HB2 SER 80 17.499 6.423 5.255 609 2HB SER 80 HB1 SER 80 16.501 5.637 4.031 610 HG SER 80 HG SER 80 18.003 6.218 2.483 611 H GLU 81 HN GLU 81 16.291 9.101 6.103 612 HA GLU 81 HA GLU 81 18.049 11.271 5.394 613 1HB GLU 81 HB2 GLU 81 16.785 10.530 8.045 614 2HB GLU 81 HB1 GLU 81 17.599 12.055 7.690 615 1HG GLU 81 HG2 GLU 81 15.966 12.511 5.897 616 2HG GLU 81 HG1 GLU 81 15.150 10.990 6.253
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