NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
6754 | 1jh3 | 5070 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 1H ALA 1 23.523 -14.472 4.027 2 2H ALA 1 2H ALA 1 24.102 -12.984 4.455 3 3H ALA 1 3H ALA 1 22.560 -13.137 3.926 4 HA ALA 1 HA ALA 1 25.006 -13.533 2.384 5 1HB ALA 1 1HB ALA 1 23.324 -15.178 1.718 6 2HB ALA 1 2HB ALA 1 22.119 -13.900 1.465 7 3HB ALA 1 3HB ALA 1 23.568 -13.994 0.435 8 H LEU 2 H LEU 2 23.019 -12.051 0.319 9 HA LEU 2 HA LEU 2 22.716 -9.438 1.455 10 1HB LEU 2 1HB LEU 2 25.234 -9.665 0.616 11 2HB LEU 2 2HB LEU 2 24.516 -9.719 -0.986 12 HG LEU 2 HG LEU 2 23.306 -7.472 -0.214 13 1HD1 LEU 2 1HD1 LEU 2 24.024 -7.617 2.155 14 2HD1 LEU 2 2HD1 LEU 2 25.721 -7.538 1.644 15 3HD1 LEU 2 3HD1 LEU 2 24.643 -6.158 1.375 16 1HD2 LEU 2 1HD2 LEU 2 26.215 -7.766 -0.990 17 2HD2 LEU 2 2HD2 LEU 2 24.833 -7.501 -2.054 18 3HD2 LEU 2 3HD2 LEU 2 25.381 -6.200 -0.967 19 H PHE 3 H PHE 3 21.300 -8.199 -0.072 20 HA PHE 3 HA PHE 3 20.509 -9.586 -2.561 21 1HB PHE 3 1HB PHE 3 18.688 -8.569 -0.333 22 2HB PHE 3 2HB PHE 3 18.156 -8.803 -1.985 23 HD1 PHE 3 1HD PHE 3 17.550 -10.932 -2.840 24 HD2 PHE 3 2HD PHE 3 19.461 -10.622 1.020 25 HE1 PHE 3 1HE PHE 3 16.954 -13.276 -2.347 26 HE2 PHE 3 2HE PHE 3 18.921 -13.000 1.471 27 HZ PHE 3 HZ PHE 3 17.642 -14.324 -0.210 28 H SER 4 H SER 4 19.744 -8.108 -4.126 29 HA SER 4 HA SER 4 19.175 -5.391 -3.447 30 1HB SER 4 1HB SER 4 20.580 -4.482 -5.371 31 2HB SER 4 2HB SER 4 21.344 -4.774 -3.815 32 HG SER 4 HG SER 4 21.592 -6.162 -6.234 33 H GLY 5 H GLY 5 18.076 -4.349 -5.397 34 1HA GLY 5 1HA GLY 5 17.003 -5.427 -7.612 35 2HA GLY 5 2HA GLY 5 16.230 -6.386 -6.321 36 H ASP 6 H ASP 6 14.153 -5.357 -6.704 37 HA ASP 6 HA ASP 6 13.970 -2.424 -6.381 38 1HB ASP 6 1HB ASP 6 11.886 -4.623 -6.790 39 2HB ASP 6 2HB ASP 6 11.440 -2.972 -6.378 40 H ILE 7 H ILE 7 12.516 -5.239 -4.661 41 HA ILE 7 HA ILE 7 12.141 -3.463 -2.398 42 HB ILE 7 HB ILE 7 10.491 -4.817 -1.673 43 1HG1 ILE 7 1HG1 ILE 7 11.378 -7.049 -1.763 44 2HG1 ILE 7 2HG1 ILE 7 9.823 -6.976 -2.491 45 1HG2 ILE 7 1HG2 ILE 7 10.233 -4.824 -4.696 46 2HG2 ILE 7 2HG2 ILE 7 8.970 -4.609 -3.477 47 3HG2 ILE 7 3HG2 ILE 7 10.180 -3.368 -3.685 48 1HD1 ILE 7 1HD1 ILE 7 11.238 -8.449 -3.780 49 2HD1 ILE 7 2HD1 ILE 7 10.954 -7.011 -4.776 50 3HD1 ILE 7 3HD1 ILE 7 12.500 -7.218 -3.909 51 H ALA 8 H ALA 8 14.750 -4.344 -2.839 52 HA ALA 8 HA ALA 8 15.362 -6.499 -1.003 53 1HB ALA 8 1HB ALA 8 16.743 -6.142 -2.994 54 2HB ALA 8 2HB ALA 8 17.247 -4.541 -2.385 55 3HB ALA 8 3HB ALA 8 17.742 -6.025 -1.535 56 H ASN 9 H ASN 9 14.524 -3.368 -0.184 57 HA ASN 9 HA ASN 9 15.959 -3.487 2.358 58 1HB ASN 9 1HB ASN 9 15.259 -1.312 2.571 59 2HB ASN 9 2HB ASN 9 15.972 -1.412 0.953 60 1HD2 ASN 9 1HD2 ASN 9 14.559 -0.953 -0.873 61 2HD2 ASN 9 2HD2 ASN 9 12.976 -0.244 -0.586 62 H LEU 10 H LEU 10 12.989 -4.040 0.740 63 HA LEU 10 HA LEU 10 11.600 -4.683 3.279 64 1HB LEU 10 1HB LEU 10 9.753 -3.518 2.908 65 2HB LEU 10 2HB LEU 10 11.082 -2.401 2.664 66 HG LEU 10 HG LEU 10 9.254 -3.569 0.553 67 1HD1 LEU 10 1HD1 LEU 10 8.458 -1.760 2.185 68 2HD1 LEU 10 2HD1 LEU 10 9.604 -0.677 1.388 69 3HD1 LEU 10 3HD1 LEU 10 8.303 -1.451 0.456 70 1HD2 LEU 10 1HD2 LEU 10 11.551 -3.146 -0.365 71 2HD2 LEU 10 2HD2 LEU 10 10.235 -2.233 -1.126 72 3HD2 LEU 10 3HD2 LEU 10 11.305 -1.441 0.037 73 H THR 11 H THR 11 12.366 -6.843 2.569 74 HA THR 11 HA THR 11 10.937 -8.010 0.317 75 HB THR 11 HB THR 11 12.558 -9.831 1.929 76 HG1 THR 11 1HG THR 11 13.716 -7.465 0.816 77 1HG2 THR 11 1HG2 THR 11 13.567 -10.215 -0.301 78 2HG2 THR 11 2HG2 THR 11 11.814 -10.063 -0.523 79 3HG2 THR 11 3HG2 THR 11 12.881 -8.712 -0.930 80 H ALA 12 H ALA 12 10.673 -10.760 1.514 81 HA ALA 12 HA ALA 12 7.908 -10.284 2.483 82 1HB ALA 12 1HB ALA 12 7.948 -12.808 2.710 83 2HB ALA 12 2HB ALA 12 8.425 -12.290 1.076 84 3HB ALA 12 3HB ALA 12 9.647 -12.819 2.257 85 H ALA 13 H ALA 13 10.859 -11.473 4.047 86 HA ALA 13 HA ALA 13 9.360 -11.656 6.612 87 1HB ALA 13 1HB ALA 13 11.263 -13.176 6.225 88 2HB ALA 13 2HB ALA 13 12.357 -11.773 6.068 89 3HB ALA 13 3HB ALA 13 11.564 -12.121 7.618 90 H GLU 14 H GLU 14 11.011 -9.277 4.711 91 HA GLU 14 HA GLU 14 11.722 -7.584 6.985 92 1HB GLU 14 1HB GLU 14 12.543 -8.019 4.215 93 2HB GLU 14 2HB GLU 14 12.061 -6.349 4.430 94 1HG GLU 14 1HG GLU 14 14.411 -6.523 4.847 95 2HG GLU 14 2HG GLU 14 13.593 -6.112 6.348 96 H ILE 15 H ILE 15 9.175 -7.816 4.420 97 HA ILE 15 HA ILE 15 7.961 -5.323 5.166 98 HB ILE 15 HB ILE 15 7.188 -7.719 3.468 99 1HG1 ILE 15 1HG1 ILE 15 7.352 -4.716 2.911 100 2HG1 ILE 15 2HG1 ILE 15 8.672 -5.810 2.672 101 1HG2 ILE 15 1HG2 ILE 15 5.028 -6.677 2.919 102 2HG2 ILE 15 2HG2 ILE 15 5.120 -7.205 4.589 103 3HG2 ILE 15 3HG2 ILE 15 5.275 -5.484 4.211 104 1HD1 ILE 15 1HD1 ILE 15 7.617 -5.423 0.525 105 2HD1 ILE 15 2HD1 ILE 15 7.316 -7.106 1.001 106 3HD1 ILE 15 3HD1 ILE 15 6.033 -5.875 1.145 107 H GLU 16 H GLU 16 7.376 -8.836 5.877 108 HA GLU 16 HA GLU 16 5.229 -8.420 7.623 109 1HB GLU 16 1HB GLU 16 7.407 -10.439 7.406 110 2HB GLU 16 2HB GLU 16 6.506 -10.406 8.925 111 1HG GLU 16 1HG GLU 16 4.998 -10.452 6.286 112 2HG GLU 16 2HG GLU 16 5.612 -11.942 6.999 113 H GLN 17 H GLN 17 8.754 -8.380 8.679 114 HA GLN 17 HA GLN 17 7.872 -7.655 11.367 115 1HB GLN 17 1HB GLN 17 9.855 -9.056 10.788 116 2HB GLN 17 2HB GLN 17 10.615 -7.589 10.112 117 1HG GLN 17 1HG GLN 17 11.547 -7.888 12.262 118 2HG GLN 17 2HG GLN 17 10.397 -6.573 12.458 119 1HE2 GLN 17 1HE2 GLN 17 11.168 -9.889 13.281 120 2HE2 GLN 17 2HE2 GLN 17 9.637 -10.284 14.101 121 H GLY 18 H GLY 18 8.729 -6.022 8.379 122 1HA GLY 18 1HA GLY 18 9.589 -3.574 9.417 123 2HA GLY 18 2HA GLY 18 8.916 -3.871 7.804 124 H PHE 19 H PHE 19 6.429 -4.987 8.493 125 HA PHE 19 HA PHE 19 5.070 -2.493 9.363 126 1HB PHE 19 1HB PHE 19 4.559 -4.261 6.971 127 2HB PHE 19 2HB PHE 19 3.682 -2.798 7.406 128 HD1 PHE 19 1HD PHE 19 5.351 -0.685 7.956 129 HD2 PHE 19 2HD PHE 19 6.371 -4.023 5.491 130 HE1 PHE 19 1HE PHE 19 7.268 0.582 7.073 131 HE2 PHE 19 2HE PHE 19 8.356 -2.800 4.642 132 HZ PHE 19 HZ PHE 19 8.811 -0.484 5.422 133 H LYS 20 H LYS 20 5.475 -5.441 10.450 134 HA LYS 20 HA LYS 20 3.076 -6.303 11.506 135 1HB LYS 20 1HB LYS 20 5.948 -6.645 11.966 136 2HB LYS 20 2HB LYS 20 5.208 -6.458 13.514 137 1HG LYS 20 1HG LYS 20 3.573 -8.259 13.010 138 2HG LYS 20 2HG LYS 20 4.201 -8.358 11.368 139 1HD LYS 20 1HD LYS 20 5.188 -10.162 12.347 140 2HD LYS 20 2HD LYS 20 6.484 -8.993 12.427 141 1HE LYS 20 1HE LYS 20 4.553 -9.594 14.727 142 2HE LYS 20 2HE LYS 20 6.070 -10.464 14.469 143 1HZ LYS 20 1HZ LYS 20 6.449 -8.790 16.052 144 2HZ LYS 20 2HZ LYS 20 7.242 -8.342 14.693 145 3HZ LYS 20 3HZ LYS 20 5.836 -7.595 15.133 146 H ASP 21 H ASP 21 3.552 -3.266 11.557 147 HA ASP 21 HA ASP 21 2.974 -2.397 14.308 148 1HB ASP 21 1HB ASP 21 4.368 -1.084 12.611 149 2HB ASP 21 2HB ASP 21 2.936 -0.926 11.615 150 H VAL 22 H VAL 22 1.371 -2.948 11.037 151 HA VAL 22 HA VAL 22 -1.252 -2.536 12.308 152 HB VAL 22 HB VAL 22 -1.347 -2.268 9.497 153 1HG1 VAL 22 1HG1 VAL 22 -2.668 -1.012 11.314 154 2HG1 VAL 22 2HG1 VAL 22 -1.252 0.014 11.517 155 3HG1 VAL 22 3HG1 VAL 22 -2.121 -0.025 9.958 156 1HG2 VAL 22 1HG2 VAL 22 0.061 -0.439 8.898 157 2HG2 VAL 22 2HG2 VAL 22 0.886 -0.472 10.467 158 3HG2 VAL 22 3HG2 VAL 22 1.047 -1.842 9.344 159 HA PRO 23 HA PRO 23 -2.168 -6.630 10.790 160 1HB PRO 23 1HB PRO 23 -4.754 -6.610 10.003 161 2HB PRO 23 2HB PRO 23 -4.299 -6.280 11.702 162 1HG PRO 23 1HG PRO 23 -4.886 -4.269 9.507 163 2HG PRO 23 2HG PRO 23 -5.566 -4.326 11.164 164 1HD PRO 23 1HD PRO 23 -3.417 -2.789 10.438 165 2HD PRO 23 2HD PRO 23 -3.582 -3.459 12.096 166 H SER 24 H SER 24 -3.203 -7.765 8.816 167 HA SER 24 HA SER 24 -2.258 -6.524 6.297 168 1HB SER 24 1HB SER 24 -1.283 -8.799 5.794 169 2HB SER 24 2HB SER 24 -0.514 -7.954 7.149 170 HG SER 24 HG SER 24 -0.744 -9.897 7.846 171 H PHE 25 H PHE 25 -3.057 -7.923 4.362 172 HA PHE 25 HA PHE 25 -5.638 -9.293 4.872 173 1HB PHE 25 1HB PHE 25 -6.130 -6.995 4.288 174 2HB PHE 25 2HB PHE 25 -4.929 -7.009 2.999 175 HD1 PHE 25 1HD PHE 25 -8.199 -8.584 4.007 176 HD2 PHE 25 2HD PHE 25 -5.557 -7.446 0.782 177 HE1 PHE 25 1HE PHE 25 -9.942 -9.183 2.351 178 HE2 PHE 25 2HE PHE 25 -7.316 -7.974 -0.848 179 HZ PHE 25 HZ PHE 25 -9.510 -8.900 -0.074 180 H VAL 26 H VAL 26 -6.241 -10.593 2.843 181 HA VAL 26 HA VAL 26 -4.059 -11.203 1.077 182 HB VAL 26 HB VAL 26 -4.072 -12.759 3.072 183 1HG1 VAL 26 1HG1 VAL 26 -6.519 -13.102 3.327 184 2HG1 VAL 26 2HG1 VAL 26 -6.550 -13.968 1.778 185 3HG1 VAL 26 3HG1 VAL 26 -5.624 -14.624 3.128 186 1HG2 VAL 26 1HG2 VAL 26 -2.949 -13.309 0.975 187 2HG2 VAL 26 2HG2 VAL 26 -3.645 -14.758 1.716 188 3HG2 VAL 26 3HG2 VAL 26 -4.461 -14.003 0.331 189 H HIS 27 H HIS 27 -4.980 -11.228 -1.093 190 HA HIS 27 HA HIS 27 -7.861 -11.994 -1.158 191 1HB HIS 27 1HB HIS 27 -7.972 -10.814 -3.342 192 2HB HIS 27 2HB HIS 27 -7.861 -9.834 -1.900 193 HD1 HIS 27 1HD HIS 27 -7.199 -7.975 -3.847 194 HD2 HIS 27 2HD HIS 27 -4.419 -11.004 -2.986 195 HE1 HIS 27 1HE HIS 27 -4.965 -7.171 -4.696 196 H GLU 28 H GLU 28 -8.219 -12.775 -3.545 197 HA GLU 28 HA GLU 28 -7.204 -15.428 -3.247 198 1HB GLU 28 1HB GLU 28 -9.594 -14.420 -3.957 199 2HB GLU 28 2HB GLU 28 -8.931 -14.621 -5.582 200 1HG GLU 28 1HG GLU 28 -8.328 -17.059 -4.664 201 2HG GLU 28 2HG GLU 28 -9.552 -16.695 -3.455 202 H GLY 29 H GLY 29 -5.379 -13.276 -4.506 203 1HA GLY 29 1HA GLY 29 -3.706 -13.210 -6.168 204 2HA GLY 29 2HA GLY 29 -4.204 -14.815 -6.731 205 H GLY 30 H GLY 30 -3.767 -13.324 -8.787 206 1HA GLY 30 1HA GLY 30 -4.759 -12.478 -10.699 207 2HA GLY 30 2HA GLY 30 -6.286 -12.201 -9.827 208 H ASP 31 H ASP 31 -4.580 -10.336 -11.322 209 HA ASP 31 HA ASP 31 -3.541 -8.422 -9.400 210 1HB ASP 31 1HB ASP 31 -3.291 -6.877 -11.138 211 2HB ASP 31 2HB ASP 31 -2.732 -8.446 -11.729 212 H VAL 32 H VAL 32 -4.421 -6.216 -9.091 213 HA VAL 32 HA VAL 32 -7.304 -5.927 -9.077 214 HB VAL 32 HB VAL 32 -5.766 -6.699 -6.652 215 1HG1 VAL 32 1HG1 VAL 32 -7.832 -6.373 -5.276 216 2HG1 VAL 32 2HG1 VAL 32 -7.341 -4.869 -6.051 217 3HG1 VAL 32 3HG1 VAL 32 -8.687 -5.819 -6.723 218 1HG2 VAL 32 1HG2 VAL 32 -6.511 -8.773 -7.587 219 2HG2 VAL 32 2HG2 VAL 32 -7.585 -8.469 -6.240 220 3HG2 VAL 32 3HG2 VAL 32 -8.136 -8.132 -7.893 221 HA PRO 33 HA PRO 33 -5.237 -2.123 -8.970 222 1HB PRO 33 1HB PRO 33 -7.300 -0.353 -8.855 223 2HB PRO 33 2HB PRO 33 -7.002 -1.378 -10.297 224 1HG PRO 33 1HG PRO 33 -8.858 -1.916 -8.019 225 2HG PRO 33 2HG PRO 33 -9.266 -1.966 -9.771 226 1HD PRO 33 1HD PRO 33 -8.628 -4.211 -8.308 227 2HD PRO 33 2HD PRO 33 -8.068 -4.043 -10.000 228 H LEU 34 H LEU 34 -4.385 -0.698 -7.625 229 HA LEU 34 HA LEU 34 -4.148 -1.184 -5.052 230 1HB LEU 34 1HB LEU 34 -3.338 1.085 -4.724 231 2HB LEU 34 2HB LEU 34 -2.610 0.011 -5.900 232 HG LEU 34 HG LEU 34 -2.738 1.302 -7.468 233 1HD1 LEU 34 1HD1 LEU 34 -4.532 2.918 -8.213 234 2HD1 LEU 34 2HD1 LEU 34 -4.941 1.218 -8.257 235 3HD1 LEU 34 3HD1 LEU 34 -5.538 2.261 -6.943 236 1HD2 LEU 34 1HD2 LEU 34 -2.157 2.883 -5.444 237 2HD2 LEU 34 2HD2 LEU 34 -2.028 3.303 -7.146 238 3HD2 LEU 34 3HD2 LEU 34 -3.428 3.838 -6.257 239 H VAL 35 H VAL 35 -6.662 0.805 -6.386 240 HA VAL 35 HA VAL 35 -7.799 1.719 -3.869 241 HB VAL 35 HB VAL 35 -7.542 2.906 -6.085 242 1HG1 VAL 35 1HG1 VAL 35 -8.372 1.205 -7.634 243 2HG1 VAL 35 2HG1 VAL 35 -9.992 1.340 -6.924 244 3HG1 VAL 35 3HG1 VAL 35 -9.262 2.723 -7.780 245 1HG2 VAL 35 1HG2 VAL 35 -10.344 3.014 -5.042 246 2HG2 VAL 35 2HG2 VAL 35 -8.935 3.640 -4.148 247 3HG2 VAL 35 3HG2 VAL 35 -9.277 4.274 -5.757 248 H GLU 36 H GLU 36 -8.161 -1.236 -5.456 249 HA GLU 36 HA GLU 36 -10.753 -1.588 -4.024 250 1HB GLU 36 1HB GLU 36 -9.567 -3.255 -6.252 251 2HB GLU 36 2HB GLU 36 -11.058 -3.593 -5.380 252 1HG GLU 36 1HG GLU 36 -10.535 -1.157 -7.150 253 2HG GLU 36 2HG GLU 36 -11.527 -2.548 -7.550 254 H LEU 37 H LEU 37 -7.194 -2.479 -4.110 255 HA LEU 37 HA LEU 37 -7.835 -4.696 -2.235 256 1HB LEU 37 1HB LEU 37 -5.522 -5.216 -2.262 257 2HB LEU 37 2HB LEU 37 -6.192 -5.174 -3.875 258 HG LEU 37 HG LEU 37 -5.101 -2.924 -4.218 259 1HD1 LEU 37 1HD1 LEU 37 -3.033 -2.548 -2.737 260 2HD1 LEU 37 2HD1 LEU 37 -4.570 -2.067 -2.052 261 3HD1 LEU 37 3HD1 LEU 37 -3.829 -3.602 -1.547 262 1HD2 LEU 37 1HD2 LEU 37 -2.822 -3.999 -4.487 263 2HD2 LEU 37 2HD2 LEU 37 -3.465 -5.432 -3.663 264 3HD2 LEU 37 3HD2 LEU 37 -4.163 -4.884 -5.201 265 H LEU 38 H LEU 38 -7.044 -1.204 -2.056 266 HA LEU 38 HA LEU 38 -6.220 -1.567 0.574 267 1HB LEU 38 1HB LEU 38 -5.659 0.596 0.542 268 2HB LEU 38 2HB LEU 38 -5.898 0.493 -1.165 269 HG LEU 38 HG LEU 38 -8.058 1.409 0.787 270 1HD1 LEU 38 1HD1 LEU 38 -5.733 2.838 -0.044 271 2HD1 LEU 38 2HD1 LEU 38 -7.203 3.659 -0.605 272 3HD1 LEU 38 3HD1 LEU 38 -7.021 3.260 1.093 273 1HD2 LEU 38 1HD2 LEU 38 -9.466 1.431 -0.880 274 2HD2 LEU 38 2HD2 LEU 38 -8.439 2.462 -1.856 275 3HD2 LEU 38 3HD2 LEU 38 -8.255 0.704 -1.940 276 H VAL 39 H VAL 39 -9.196 -1.248 -1.104 277 HA VAL 39 HA VAL 39 -10.849 -0.201 0.995 278 HB VAL 39 HB VAL 39 -10.795 -0.535 -1.759 279 1HG1 VAL 39 1HG1 VAL 39 -12.949 -1.399 -2.526 280 2HG1 VAL 39 2HG1 VAL 39 -12.068 -2.699 -1.773 281 3HG1 VAL 39 3HG1 VAL 39 -13.372 -1.921 -0.871 282 1HG2 VAL 39 1HG2 VAL 39 -12.632 0.943 -1.894 283 2HG2 VAL 39 2HG2 VAL 39 -13.274 0.418 -0.313 284 3HG2 VAL 39 3HG2 VAL 39 -11.757 1.324 -0.411 285 H SER 40 H SER 40 -10.291 -3.291 -0.556 286 HA SER 40 HA SER 40 -11.707 -5.135 0.972 287 1HB SER 40 1HB SER 40 -9.148 -4.999 -0.685 288 2HB SER 40 2HB SER 40 -9.840 -6.473 -0.167 289 HG SER 40 HG SER 40 -10.679 -4.716 -2.107 290 H ALA 41 H ALA 41 -8.235 -3.885 1.114 291 HA ALA 41 HA ALA 41 -7.870 -5.535 3.479 292 1HB ALA 41 1HB ALA 41 -5.578 -4.659 3.420 293 2HB ALA 41 2HB ALA 41 -6.116 -5.275 1.851 294 3HB ALA 41 3HB ALA 41 -6.036 -3.547 2.115 295 H GLY 42 H GLY 42 -9.032 -2.248 3.130 296 1HA GLY 42 1HA GLY 42 -10.339 -1.391 4.893 297 2HA GLY 42 2HA GLY 42 -9.477 -2.416 6.058 298 H ILE 43 H ILE 43 -7.896 -0.559 3.636 299 HA ILE 43 HA ILE 43 -6.353 1.084 5.497 300 HB ILE 43 HB ILE 43 -6.641 0.801 2.511 301 1HG1 ILE 43 1HG1 ILE 43 -4.389 -0.037 2.377 302 2HG1 ILE 43 2HG1 ILE 43 -4.087 0.291 4.072 303 1HG2 ILE 43 1HG2 ILE 43 -4.692 2.391 2.235 304 2HG2 ILE 43 2HG2 ILE 43 -6.003 3.225 3.070 305 3HG2 ILE 43 3HG2 ILE 43 -4.626 2.618 3.990 306 1HD1 ILE 43 1HD1 ILE 43 -5.535 -1.530 4.736 307 2HD1 ILE 43 2HD1 ILE 43 -6.155 -1.669 3.076 308 3HD1 ILE 43 3HD1 ILE 43 -4.477 -2.120 3.443 309 H SER 44 H SER 44 -8.944 1.497 2.892 310 HA SER 44 HA SER 44 -10.338 3.412 4.561 311 1HB SER 44 1HB SER 44 -8.742 4.384 2.196 312 2HB SER 44 2HB SER 44 -10.345 5.066 2.507 313 HG SER 44 HG SER 44 -8.127 5.759 3.698 314 HA PRO 45 HA PRO 45 -12.707 0.615 1.877 315 1HB PRO 45 1HB PRO 45 -14.824 0.107 3.483 316 2HB PRO 45 2HB PRO 45 -13.187 -0.558 3.808 317 1HG PRO 45 1HG PRO 45 -14.487 1.891 5.043 318 2HG PRO 45 2HG PRO 45 -13.647 0.544 5.878 319 1HD PRO 45 1HD PRO 45 -12.416 2.916 5.233 320 2HD PRO 45 2HD PRO 45 -11.532 1.355 5.252 321 H SER 46 H SER 46 -13.538 3.766 2.904 322 HA SER 46 HA SER 46 -16.312 3.771 1.902 323 1HB SER 46 1HB SER 46 -15.767 5.080 3.868 324 2HB SER 46 2HB SER 46 -14.539 5.942 2.936 325 HG SER 46 HG SER 46 -16.745 6.929 3.175 326 H LYS 47 H LYS 47 -16.508 3.776 -0.348 327 HA LYS 47 HA LYS 47 -14.366 3.691 -1.977 328 1HB LYS 47 1HB LYS 47 -17.121 3.483 -2.373 329 2HB LYS 47 2HB LYS 47 -16.692 4.820 -3.427 330 1HG LYS 47 1HG LYS 47 -16.453 2.950 -4.809 331 2HG LYS 47 2HG LYS 47 -14.785 3.270 -4.315 332 1HD LYS 47 1HD LYS 47 -15.085 1.498 -2.498 333 2HD LYS 47 2HD LYS 47 -16.703 1.184 -3.166 334 1HE LYS 47 1HE LYS 47 -15.528 0.730 -5.418 335 2HE LYS 47 2HE LYS 47 -14.003 0.771 -4.533 336 1HZ LYS 47 1HZ LYS 47 -14.608 -1.390 -4.686 337 2HZ LYS 47 2HZ LYS 47 -14.892 -1.050 -3.148 338 3HZ LYS 47 3HZ LYS 47 -16.174 -1.200 -4.207 339 H ARG 48 H ARG 48 -15.999 6.790 -1.278 340 HA ARG 48 HA ARG 48 -14.447 8.360 -3.145 341 1HB ARG 48 1HB ARG 48 -16.480 9.245 -2.085 342 2HB ARG 48 2HB ARG 48 -15.757 9.153 -0.482 343 1HG ARG 48 1HG ARG 48 -14.395 10.782 -2.638 344 2HG ARG 48 2HG ARG 48 -15.843 11.425 -1.874 345 1HD ARG 48 1HD ARG 48 -14.804 11.477 0.312 346 2HD ARG 48 2HD ARG 48 -13.400 10.582 -0.266 347 HE ARG 48 HE ARG 48 -13.927 13.093 -1.665 348 1HH1 ARG 48 2HH2 ARG 48 -12.047 11.734 1.156 349 2HH1 ARG 48 1HH2 ARG 48 -10.668 12.653 0.713 350 1HH2 ARG 48 2HH1 ARG 48 -12.065 14.456 -1.954 351 2HH2 ARG 48 1HH1 ARG 48 -10.707 14.193 -0.925 352 H GLN 49 H GLN 49 -14.001 7.502 0.320 353 HA GLN 49 HA GLN 49 -11.673 9.096 0.558 354 1HB GLN 49 1HB GLN 49 -13.191 7.898 2.428 355 2HB GLN 49 2HB GLN 49 -12.078 6.561 2.216 356 1HG GLN 49 1HG GLN 49 -11.491 8.253 4.078 357 2HG GLN 49 2HG GLN 49 -10.208 7.784 2.961 358 1HE2 GLN 49 1HE2 GLN 49 -8.967 9.460 2.283 359 2HE2 GLN 49 2HE2 GLN 49 -9.486 11.097 1.950 360 H ALA 50 H ALA 50 -12.233 5.681 0.026 361 HA ALA 50 HA ALA 50 -9.754 4.669 -0.206 362 1HB ALA 50 1HB ALA 50 -11.956 3.456 -0.624 363 2HB ALA 50 2HB ALA 50 -11.959 4.100 -2.267 364 3HB ALA 50 3HB ALA 50 -10.681 3.019 -1.794 365 H ARG 51 H ARG 51 -11.590 6.235 -2.891 366 HA ARG 51 HA ARG 51 -9.365 6.024 -4.667 367 1HB ARG 51 1HB ARG 51 -12.059 7.458 -4.788 368 2HB ARG 51 2HB ARG 51 -10.846 7.723 -6.065 369 1HG ARG 51 1HG ARG 51 -10.726 5.457 -6.638 370 2HG ARG 51 2HG ARG 51 -11.544 4.931 -5.143 371 1HD ARG 51 1HD ARG 51 -13.672 5.706 -6.058 372 2HD ARG 51 2HD ARG 51 -12.861 6.106 -7.584 373 HE ARG 51 HE ARG 51 -13.357 3.420 -6.416 374 1HH1 ARG 51 2HH2 ARG 51 -11.719 5.160 -9.030 375 2HH1 ARG 51 1HH2 ARG 51 -11.273 3.736 -9.888 376 1HH2 ARG 51 2HH1 ARG 51 -12.613 1.451 -7.484 377 2HH2 ARG 51 1HH1 ARG 51 -11.913 1.608 -9.023 378 H GLU 52 H GLU 52 -10.187 8.632 -2.406 379 HA GLU 52 HA GLU 52 -7.899 10.133 -3.593 380 1HB GLU 52 1HB GLU 52 -9.737 11.381 -2.412 381 2HB GLU 52 2HB GLU 52 -9.409 10.451 -0.949 382 1HG GLU 52 1HG GLU 52 -7.055 11.528 -0.912 383 2HG GLU 52 2HG GLU 52 -7.583 12.547 -2.231 384 H ASP 53 H ASP 53 -8.327 7.851 -0.903 385 HA ASP 53 HA ASP 53 -5.772 8.212 0.186 386 1HB ASP 53 1HB ASP 53 -8.047 6.205 0.324 387 2HB ASP 53 2HB ASP 53 -6.483 5.637 0.717 388 H ILE 54 H ILE 54 -6.892 6.757 -2.674 389 HA ILE 54 HA ILE 54 -4.267 5.604 -3.045 390 HB ILE 54 HB ILE 54 -6.846 4.839 -4.103 391 1HG1 ILE 54 1HG1 ILE 54 -5.385 2.879 -4.867 392 2HG1 ILE 54 2HG1 ILE 54 -4.009 3.758 -4.177 393 1HG2 ILE 54 1HG2 ILE 54 -6.577 6.026 -6.116 394 2HG2 ILE 54 2HG2 ILE 54 -4.873 5.553 -6.308 395 3HG2 ILE 54 3HG2 ILE 54 -6.151 4.379 -6.507 396 1HD1 ILE 54 1HD1 ILE 54 -4.970 2.107 -2.632 397 2HD1 ILE 54 2HD1 ILE 54 -5.067 3.766 -2.002 398 3HD1 ILE 54 3HD1 ILE 54 -6.508 2.999 -2.696 399 H GLN 55 H GLN 55 -6.316 8.119 -4.642 400 HA GLN 55 HA GLN 55 -4.299 8.648 -6.563 401 1HB GLN 55 1HB GLN 55 -6.781 10.135 -5.639 402 2HB GLN 55 2HB GLN 55 -5.732 10.732 -6.928 403 1HG GLN 55 1HG GLN 55 -5.994 8.694 -8.216 404 2HG GLN 55 2HG GLN 55 -6.961 7.956 -6.956 405 1HE2 GLN 55 1HE2 GLN 55 -7.274 9.346 -9.916 406 2HE2 GLN 55 2HE2 GLN 55 -8.889 10.036 -9.733 407 H ASN 56 H ASN 56 -4.333 9.413 -3.241 408 HA ASN 56 HA ASN 56 -2.730 11.754 -3.651 409 1HB ASN 56 1HB ASN 56 -3.245 9.928 -1.239 410 2HB ASN 56 2HB ASN 56 -2.134 11.294 -1.109 411 1HD2 ASN 56 1HD2 ASN 56 -4.623 12.531 -3.007 412 2HD2 ASN 56 2HD2 ASN 56 -5.534 13.205 -1.680 413 H GLY 57 H GLY 57 -0.690 12.108 -3.653 414 1HA GLY 57 1HA GLY 57 1.291 10.056 -3.788 415 2HA GLY 57 2HA GLY 57 1.590 11.799 -3.695 416 H ALA 58 H ALA 58 -0.322 10.081 -1.421 417 HA ALA 58 HA ALA 58 1.765 10.024 0.703 418 1HB ALA 58 1HB ALA 58 -0.106 10.374 2.355 419 2HB ALA 58 2HB ALA 58 0.224 11.782 1.333 420 3HB ALA 58 3HB ALA 58 -1.170 10.763 0.985 421 H ILE 59 H ILE 59 -0.095 8.022 -1.418 422 HA ILE 59 HA ILE 59 0.322 5.711 0.458 423 HB ILE 59 HB ILE 59 -1.841 6.033 -0.103 424 1HG1 ILE 59 1HG1 ILE 59 -1.077 3.843 0.148 425 2HG1 ILE 59 2HG1 ILE 59 -2.451 3.949 -0.962 426 1HG2 ILE 59 1HG2 ILE 59 -0.852 6.507 -2.900 427 2HG2 ILE 59 2HG2 ILE 59 -2.285 5.529 -2.761 428 3HG2 ILE 59 3HG2 ILE 59 -2.283 7.147 -2.053 429 1HD1 ILE 59 1HD1 ILE 59 -0.650 3.937 -2.869 430 2HD1 ILE 59 2HD1 ILE 59 0.436 3.354 -1.588 431 3HD1 ILE 59 3HD1 ILE 59 -1.040 2.448 -2.023 432 H TYR 60 H TYR 60 2.469 5.743 0.468 433 HA TYR 60 HA TYR 60 3.908 5.303 -1.976 434 1HB TYR 60 1HB TYR 60 5.074 4.812 0.745 435 2HB TYR 60 2HB TYR 60 5.802 5.300 -0.723 436 HD1 TYR 60 1HD TYR 60 3.894 6.579 2.210 437 HD2 TYR 60 2HD TYR 60 6.026 7.570 -1.386 438 HE1 TYR 60 1HE TYR 60 3.946 8.943 2.902 439 HE2 TYR 60 2HE TYR 60 6.148 9.902 -0.708 440 HH TYR 60 HH TYR 60 5.785 11.394 1.006 441 H VAL 61 H VAL 61 3.801 3.396 -3.001 442 HA VAL 61 HA VAL 61 2.851 1.054 -1.432 443 HB VAL 61 HB VAL 61 3.231 1.111 -4.452 444 1HG1 VAL 61 1HG1 VAL 61 2.040 -1.008 -4.310 445 2HG1 VAL 61 2HG1 VAL 61 3.299 -1.084 -3.063 446 3HG1 VAL 61 3HG1 VAL 61 1.644 -0.747 -2.606 447 1HG2 VAL 61 1HG2 VAL 61 0.781 1.459 -2.721 448 2HG2 VAL 61 2HG2 VAL 61 1.361 2.616 -3.932 449 3HG2 VAL 61 3HG2 VAL 61 0.678 1.033 -4.405 450 H ASN 62 H ASN 62 4.388 -0.232 -0.760 451 HA ASN 62 HA ASN 62 6.414 -0.988 -0.273 452 1HB ASN 62 1HB ASN 62 6.417 -1.107 -3.242 453 2HB ASN 62 2HB ASN 62 7.779 -1.719 -2.339 454 1HD2 ASN 62 1HD2 ASN 62 4.824 -2.619 -3.552 455 2HD2 ASN 62 2HD2 ASN 62 4.414 -3.948 -2.546 456 H GLY 63 H GLY 63 6.204 1.861 -0.404 457 1HA GLY 63 1HA GLY 63 7.782 3.358 0.628 458 2HA GLY 63 2HA GLY 63 9.102 2.508 -0.191 459 H GLU 64 H GLU 64 6.726 2.955 -2.616 460 HA GLU 64 HA GLU 64 8.046 5.475 -3.399 461 1HB GLU 64 1HB GLU 64 8.907 3.525 -4.614 462 2HB GLU 64 2HB GLU 64 7.264 3.138 -5.114 463 1HG GLU 64 1HG GLU 64 8.468 4.293 -6.895 464 2HG GLU 64 2HG GLU 64 7.102 5.257 -6.340 465 H ARG 65 H ARG 65 6.648 7.088 -3.619 466 HA ARG 65 HA ARG 65 3.844 6.907 -3.164 467 1HB ARG 65 1HB ARG 65 4.598 8.963 -2.710 468 2HB ARG 65 2HB ARG 65 5.828 8.987 -3.935 469 1HG ARG 65 1HG ARG 65 2.913 9.175 -4.706 470 2HG ARG 65 2HG ARG 65 3.690 10.545 -3.934 471 1HD ARG 65 1HD ARG 65 4.302 9.432 -6.693 472 2HD ARG 65 2HD ARG 65 3.734 11.010 -6.228 473 HE ARG 65 HE ARG 65 5.840 11.697 -5.656 474 1HH1 ARG 65 2HH2 ARG 65 6.000 8.251 -6.655 475 2HH1 ARG 65 1HH2 ARG 65 7.733 8.251 -6.760 476 1HH2 ARG 65 2HH1 ARG 65 8.044 11.645 -5.722 477 2HH2 ARG 65 1HH1 ARG 65 8.919 10.303 -6.416 478 H LEU 66 H LEU 66 2.477 5.693 -4.397 479 HA LEU 66 HA LEU 66 2.700 5.901 -7.362 480 1HB LEU 66 1HB LEU 66 2.859 3.442 -5.699 481 2HB LEU 66 2HB LEU 66 2.440 3.480 -7.434 482 HG LEU 66 HG LEU 66 5.049 4.527 -6.335 483 1HD1 LEU 66 1HD1 LEU 66 5.963 2.430 -7.215 484 2HD1 LEU 66 2HD1 LEU 66 4.808 2.179 -5.887 485 3HD1 LEU 66 3HD1 LEU 66 4.302 1.880 -7.579 486 1HD2 LEU 66 1HD2 LEU 66 4.236 3.825 -9.172 487 2HD2 LEU 66 2HD2 LEU 66 4.513 5.477 -8.540 488 3HD2 LEU 66 3HD2 LEU 66 5.848 4.320 -8.627 489 H GLN 67 H GLN 67 0.696 6.954 -7.567 490 HA GLN 67 HA GLN 67 -1.639 6.072 -6.042 491 1HB GLN 67 1HB GLN 67 -2.127 8.492 -5.865 492 2HB GLN 67 2HB GLN 67 -0.620 8.153 -5.114 493 1HG GLN 67 1HG GLN 67 -1.510 9.853 -7.314 494 2HG GLN 67 2HG GLN 67 -0.301 10.133 -6.076 495 1HE2 GLN 67 1HE2 GLN 67 1.853 8.684 -6.498 496 2HE2 GLN 67 2HE2 GLN 67 2.336 8.558 -8.187 497 H ASP 68 H ASP 68 -1.359 4.851 -8.494 498 HA ASP 68 HA ASP 68 -3.757 5.862 -9.818 499 1HB ASP 68 1HB ASP 68 -1.628 6.969 -10.740 500 2HB ASP 68 2HB ASP 68 -1.168 5.384 -11.347 501 H VAL 69 H VAL 69 -4.718 4.153 -11.180 502 HA VAL 69 HA VAL 69 -4.212 1.376 -10.530 503 HB VAL 69 HB VAL 69 -5.727 2.715 -12.614 504 1HG1 VAL 69 1HG1 VAL 69 -6.004 -0.158 -11.759 505 2HG1 VAL 69 2HG1 VAL 69 -7.016 0.661 -12.963 506 3HG1 VAL 69 3HG1 VAL 69 -5.308 0.378 -13.294 507 1HG2 VAL 69 1HG2 VAL 69 -6.668 1.550 -9.978 508 2HG2 VAL 69 2HG2 VAL 69 -6.624 3.275 -10.398 509 3HG2 VAL 69 3HG2 VAL 69 -7.744 2.200 -11.237 510 H GLY 70 H GLY 70 -3.176 3.569 -13.195 511 1HA GLY 70 1HA GLY 70 -1.708 1.458 -14.533 512 2HA GLY 70 2HA GLY 70 -1.635 3.216 -14.824 513 H ALA 71 H ALA 71 -1.199 2.803 -11.598 514 HA ALA 71 HA ALA 71 1.753 2.779 -11.798 515 1HB ALA 71 1HB ALA 71 0.156 3.826 -9.461 516 2HB ALA 71 2HB ALA 71 1.916 3.751 -9.622 517 3HB ALA 71 3HB ALA 71 0.981 4.783 -10.706 518 H ILE 72 H ILE 72 -0.839 1.304 -9.469 519 HA ILE 72 HA ILE 72 0.766 -1.116 -9.709 520 HB ILE 72 HB ILE 72 -0.486 -0.414 -7.166 521 1HG1 ILE 72 1HG1 ILE 72 1.952 0.358 -6.487 522 2HG1 ILE 72 2HG1 ILE 72 2.019 0.930 -8.128 523 1HG2 ILE 72 1HG2 ILE 72 2.090 -1.927 -7.871 524 2HG2 ILE 72 2HG2 ILE 72 1.348 -1.841 -6.258 525 3HG2 ILE 72 3HG2 ILE 72 0.524 -2.689 -7.537 526 1HD1 ILE 72 1HD1 ILE 72 -0.410 1.534 -6.335 527 2HD1 ILE 72 2HD1 ILE 72 1.028 2.455 -6.177 528 3HD1 ILE 72 3HD1 ILE 72 0.183 2.478 -7.718 529 H LEU 73 H LEU 73 -0.445 -3.066 -9.562 530 HA LEU 73 HA LEU 73 -3.256 -2.849 -8.898 531 1HB LEU 73 1HB LEU 73 -1.928 -4.793 -10.738 532 2HB LEU 73 2HB LEU 73 -3.624 -4.783 -10.242 533 HG LEU 73 HG LEU 73 -2.305 -2.402 -11.672 534 1HD1 LEU 73 1HD1 LEU 73 -2.404 -4.492 -13.063 535 2HD1 LEU 73 2HD1 LEU 73 -4.163 -4.477 -12.833 536 3HD1 LEU 73 3HD1 LEU 73 -3.352 -3.147 -13.685 537 1HD2 LEU 73 1HD2 LEU 73 -4.629 -1.826 -12.247 538 2HD2 LEU 73 2HD2 LEU 73 -5.180 -2.970 -11.014 539 3HD2 LEU 73 3HD2 LEU 73 -4.153 -1.531 -10.593 540 H THR 74 H THR 74 -1.177 -5.800 -8.925 541 HA THR 74 HA THR 74 -1.577 -5.907 -6.047 542 HB THR 74 HB THR 74 -1.085 -8.424 -6.723 543 HG1 THR 74 1HG THR 74 -1.449 -8.860 -8.761 544 1HG2 THR 74 1HG2 THR 74 -3.116 -7.448 -5.828 545 2HG2 THR 74 2HG2 THR 74 -3.553 -6.813 -7.408 546 3HG2 THR 74 3HG2 THR 74 -3.510 -8.575 -7.116 547 H ALA 75 H ALA 75 -0.012 -7.889 -5.215 548 HA ALA 75 HA ALA 75 2.438 -6.695 -4.626 549 1HB ALA 75 1HB ALA 75 1.504 -9.629 -4.562 550 2HB ALA 75 2HB ALA 75 3.008 -9.088 -3.825 551 3HB ALA 75 3HB ALA 75 1.450 -8.480 -3.205 552 H GLU 76 H GLU 76 1.836 -9.262 -7.053 553 HA GLU 76 HA GLU 76 4.578 -9.345 -7.956 554 1HB GLU 76 1HB GLU 76 3.418 -11.273 -8.399 555 2HB GLU 76 2HB GLU 76 1.920 -10.417 -8.703 556 1HG GLU 76 1HG GLU 76 3.063 -9.671 -10.960 557 2HG GLU 76 2HG GLU 76 4.178 -10.995 -10.622 558 H HIS 77 H HIS 77 2.087 -7.037 -8.338 559 HA HIS 77 HA HIS 77 3.187 -5.948 -10.850 560 1HB HIS 77 1HB HIS 77 0.731 -6.128 -10.258 561 2HB HIS 77 2HB HIS 77 1.016 -4.822 -9.110 562 HD1 HIS 77 1HD HIS 77 2.291 -2.592 -10.353 563 HD2 HIS 77 2HD HIS 77 -0.299 -5.189 -12.364 564 HE1 HIS 77 1HE HIS 77 0.827 -1.140 -11.845 565 H ARG 78 H ARG 78 4.017 -5.856 -7.508 566 HA ARG 78 HA ARG 78 5.271 -3.194 -7.921 567 1HB ARG 78 1HB ARG 78 3.373 -3.611 -6.007 568 2HB ARG 78 2HB ARG 78 4.822 -3.999 -5.112 569 1HG ARG 78 1HG ARG 78 3.923 -1.411 -6.316 570 2HG ARG 78 2HG ARG 78 4.452 -1.708 -4.730 571 1HD ARG 78 1HD ARG 78 6.164 -0.382 -5.512 572 2HD ARG 78 2HD ARG 78 6.854 -2.001 -5.706 573 HE ARG 78 HE ARG 78 5.423 -0.950 -8.051 574 1HH1 ARG 78 2HH2 ARG 78 8.644 -0.745 -6.454 575 2HH1 ARG 78 1HH2 ARG 78 9.469 -0.651 -7.968 576 1HH2 ARG 78 2HH1 ARG 78 6.621 -1.110 -10.012 577 2HH2 ARG 78 1HH1 ARG 78 8.328 -0.918 -9.980 578 H LEU 79 H LEU 79 5.721 -6.188 -5.756 579 HA LEU 79 HA LEU 79 8.581 -6.044 -6.294 580 1HB LEU 79 1HB LEU 79 7.942 -8.280 -4.799 581 2HB LEU 79 2HB LEU 79 8.607 -6.744 -4.226 582 HG LEU 79 HG LEU 79 5.679 -7.336 -4.088 583 1HD1 LEU 79 1HD1 LEU 79 6.852 -9.128 -2.928 584 2HD1 LEU 79 2HD1 LEU 79 7.965 -7.992 -2.164 585 3HD1 LEU 79 3HD1 LEU 79 6.287 -7.975 -1.685 586 1HD2 LEU 79 1HD2 LEU 79 7.467 -5.629 -2.287 587 2HD2 LEU 79 2HD2 LEU 79 6.617 -4.954 -3.694 588 3HD2 LEU 79 3HD2 LEU 79 5.719 -5.683 -2.356 589 H GLU 80 H GLU 80 9.360 -8.438 -6.886 590 HA GLU 80 HA GLU 80 8.173 -9.377 -9.212 591 1HB GLU 80 1HB GLU 80 9.494 -11.357 -8.942 592 2HB GLU 80 2HB GLU 80 10.441 -9.963 -8.388 593 1HG GLU 80 1HG GLU 80 9.881 -10.577 -6.023 594 2HG GLU 80 2HG GLU 80 8.960 -11.955 -6.617 595 H GLY 81 H GLY 81 7.156 -10.005 -5.920 596 1HA GLY 81 1HA GLY 81 4.649 -10.294 -5.999 597 2HA GLY 81 2HA GLY 81 5.040 -11.768 -6.885 598 H ARG 82 H ARG 82 5.299 -10.151 -3.761 599 HA ARG 82 HA ARG 82 4.975 -12.806 -2.502 600 1HB ARG 82 1HB ARG 82 6.885 -10.757 -1.284 601 2HB ARG 82 2HB ARG 82 6.428 -12.318 -0.621 602 1HG ARG 82 1HG ARG 82 7.991 -11.925 -3.205 603 2HG ARG 82 2HG ARG 82 8.705 -12.206 -1.626 604 1HD ARG 82 1HD ARG 82 8.419 -14.438 -1.774 605 2HD ARG 82 2HD ARG 82 6.703 -14.243 -2.079 606 HE ARG 82 HE ARG 82 7.001 -14.751 -4.194 607 1HH1 ARG 82 2HH2 ARG 82 10.225 -13.703 -3.105 608 2HH1 ARG 82 1HH2 ARG 82 10.939 -13.932 -4.684 609 1HH2 ARG 82 2HH1 ARG 82 7.957 -15.033 -6.200 610 2HH2 ARG 82 1HH1 ARG 82 9.595 -14.494 -6.492 611 H PHE 83 H PHE 83 5.378 -9.563 -1.146 612 HA PHE 83 HA PHE 83 2.519 -9.483 -0.323 613 1HB PHE 83 1HB PHE 83 5.046 -8.538 1.118 614 2HB PHE 83 2HB PHE 83 3.415 -8.195 1.645 615 HD1 PHE 83 1HD PHE 83 2.143 -9.714 2.970 616 HD2 PHE 83 2HD PHE 83 5.859 -10.961 1.153 617 HE1 PHE 83 1HE PHE 83 2.204 -11.701 4.439 618 HE2 PHE 83 2HE PHE 83 5.802 -13.042 2.511 619 HZ PHE 83 HZ PHE 83 4.055 -13.357 4.186 620 H THR 84 H THR 84 2.375 -6.871 0.476 621 HA THR 84 HA THR 84 4.206 -5.178 -1.014 622 HB THR 84 HB THR 84 1.413 -5.704 -1.916 623 HG1 THR 84 1HG THR 84 3.348 -6.053 -2.992 624 1HG2 THR 84 1HG2 THR 84 0.874 -3.480 -1.107 625 2HG2 THR 84 2HG2 THR 84 2.380 -2.830 -1.782 626 3HG2 THR 84 3HG2 THR 84 1.096 -3.425 -2.862 627 H VAL 85 H VAL 85 4.504 -3.278 0.239 628 HA VAL 85 HA VAL 85 2.836 -2.831 2.637 629 HB VAL 85 HB VAL 85 5.030 -1.006 1.557 630 1HG1 VAL 85 1HG1 VAL 85 3.961 -1.472 4.382 631 2HG1 VAL 85 2HG1 VAL 85 5.287 -0.374 3.945 632 3HG1 VAL 85 3HG1 VAL 85 3.650 -0.044 3.369 633 1HG2 VAL 85 1HG2 VAL 85 6.571 -2.135 3.103 634 2HG2 VAL 85 2HG2 VAL 85 5.363 -3.413 3.356 635 3HG2 VAL 85 3HG2 VAL 85 6.105 -3.158 1.757 636 H ILE 86 H ILE 86 1.282 -1.297 2.713 637 HA ILE 86 HA ILE 86 1.016 0.713 0.519 638 HB ILE 86 HB ILE 86 -0.962 -0.640 2.370 639 1HG1 ILE 86 1HG1 ILE 86 -0.403 -1.859 0.211 640 2HG1 ILE 86 2HG1 ILE 86 -2.098 -1.377 0.263 641 1HG2 ILE 86 1HG2 ILE 86 -2.715 0.834 1.073 642 2HG2 ILE 86 2HG2 ILE 86 -1.759 1.628 2.332 643 3HG2 ILE 86 3HG2 ILE 86 -1.314 1.816 0.632 644 1HD1 ILE 86 1HD1 ILE 86 0.061 0.238 -1.171 645 2HD1 ILE 86 2HD1 ILE 86 -0.967 -0.938 -1.972 646 3HD1 ILE 86 3HD1 ILE 86 -1.679 0.510 -1.242 647 H ARG 87 H ARG 87 2.227 2.344 1.321 648 HA ARG 87 HA ARG 87 2.093 2.804 4.259 649 1HB ARG 87 1HB ARG 87 4.323 2.463 2.975 650 2HB ARG 87 2HB ARG 87 3.971 4.016 2.228 651 1HG ARG 87 1HG ARG 87 3.915 5.028 4.537 652 2HG ARG 87 2HG ARG 87 4.508 3.459 5.133 653 1HD ARG 87 1HD ARG 87 6.018 4.938 2.978 654 2HD ARG 87 2HD ARG 87 6.179 5.386 4.669 655 HE ARG 87 HE ARG 87 7.438 3.171 3.405 656 1HH1 ARG 87 2HH2 ARG 87 6.175 4.234 6.577 657 2HH1 ARG 87 1HH2 ARG 87 7.356 3.315 7.455 658 1HH2 ARG 87 2HH1 ARG 87 8.948 2.110 4.523 659 2HH2 ARG 87 1HH1 ARG 87 9.065 2.105 6.256 660 H ARG 88 H ARG 88 -0.128 3.503 3.968 661 HA ARG 88 HA ARG 88 -0.661 5.937 2.435 662 1HB ARG 88 1HB ARG 88 -2.413 4.243 2.514 663 2HB ARG 88 2HB ARG 88 -2.321 4.144 4.260 664 1HG ARG 88 1HG ARG 88 -4.319 5.360 3.512 665 2HG ARG 88 2HG ARG 88 -3.288 6.371 4.520 666 1HD ARG 88 1HD ARG 88 -2.365 7.441 2.464 667 2HD ARG 88 2HD ARG 88 -3.472 6.462 1.488 668 HE ARG 88 HE ARG 88 -5.267 7.552 3.035 669 1HH1 ARG 88 2HH2 ARG 88 -2.579 9.119 1.330 670 2HH1 ARG 88 1HH2 ARG 88 -3.499 10.586 1.041 671 1HH2 ARG 88 2HH1 ARG 88 -6.443 9.468 2.413 672 2HH2 ARG 88 1HH1 ARG 88 -5.623 10.798 1.664 673 H GLY 89 H GLY 89 0.759 7.443 3.451 674 1HA GLY 89 1HA GLY 89 1.559 7.628 6.081 675 2HA GLY 89 2HA GLY 89 1.436 9.006 4.988 676 H LYS 90 H LYS 90 -1.491 8.888 4.744 677 HA LYS 90 HA LYS 90 -2.188 10.404 7.051 678 1HB LYS 90 1HB LYS 90 -3.225 10.053 4.496 679 2HB LYS 90 2HB LYS 90 -4.470 9.302 5.472 680 1HG LYS 90 1HG LYS 90 -3.425 12.172 5.716 681 2HG LYS 90 2HG LYS 90 -4.899 11.653 4.913 682 1HD LYS 90 1HD LYS 90 -5.794 12.379 6.878 683 2HD LYS 90 2HD LYS 90 -5.572 10.673 7.252 684 1HE LYS 90 1HE LYS 90 -3.124 11.803 8.007 685 2HE LYS 90 2HE LYS 90 -4.242 13.122 8.348 686 1HZ LYS 90 1HZ LYS 90 -3.927 11.634 10.239 687 2HZ LYS 90 2HZ LYS 90 -5.501 11.556 9.734 688 3HZ LYS 90 3HZ LYS 90 -4.439 10.351 9.347 689 H LYS 91 H LYS 91 -1.964 7.034 6.821 690 HA LYS 91 HA LYS 91 -3.660 6.506 9.182 691 1HB LYS 91 1HB LYS 91 -5.000 6.100 7.015 692 2HB LYS 91 2HB LYS 91 -3.767 4.964 6.526 693 1HG LYS 91 1HG LYS 91 -5.013 3.386 7.414 694 2HG LYS 91 2HG LYS 91 -4.538 3.961 9.024 695 1HD LYS 91 1HD LYS 91 -6.569 5.382 9.082 696 2HD LYS 91 2HD LYS 91 -6.998 4.870 7.447 697 1HE LYS 91 1HE LYS 91 -6.852 3.055 9.901 698 2HE LYS 91 2HE LYS 91 -8.323 3.687 9.147 699 1HZ LYS 91 1HZ LYS 91 -7.588 2.488 7.096 700 2HZ LYS 91 2HZ LYS 91 -6.446 1.725 8.015 701 3HZ LYS 91 3HZ LYS 91 -8.030 1.498 8.306 702 H LYS 92 H LYS 92 -2.045 3.886 7.218 703 HA LYS 92 HA LYS 92 0.398 4.302 8.501 704 1HB LYS 92 1HB LYS 92 -1.438 3.177 10.173 705 2HB LYS 92 2HB LYS 92 -1.024 1.753 9.244 706 1HG LYS 92 1HG LYS 92 0.378 1.824 11.234 707 2HG LYS 92 2HG LYS 92 1.424 2.156 9.870 708 1HD LYS 92 1HD LYS 92 2.128 3.796 11.316 709 2HD LYS 92 2HD LYS 92 0.927 4.717 10.444 710 1HE LYS 92 1HE LYS 92 0.287 5.218 12.577 711 2HE LYS 92 2HE LYS 92 -0.726 3.800 12.298 712 1HZ LYS 92 1HZ LYS 92 0.545 3.516 14.424 713 2HZ LYS 92 2HZ LYS 92 1.146 2.449 13.325 714 3HZ LYS 92 3HZ LYS 92 1.949 3.804 13.629 715 H TYR 93 H TYR 93 1.059 1.555 8.339 716 HA TYR 93 HA TYR 93 1.463 1.399 5.452 717 1HB TYR 93 1HB TYR 93 3.440 0.014 6.974 718 2HB TYR 93 2HB TYR 93 3.569 1.180 5.689 719 HD1 TYR 93 1HD TYR 93 4.181 0.596 9.176 720 HD2 TYR 93 2HD TYR 93 2.893 3.737 6.509 721 HE1 TYR 93 1HE TYR 93 4.875 2.259 10.817 722 HE2 TYR 93 2HE TYR 93 3.629 5.427 8.131 723 HH TYR 93 HH TYR 93 4.500 4.616 11.433 724 H TYR 94 H TYR 94 -0.398 0.165 5.081 725 HA TYR 94 HA TYR 94 -0.890 -2.233 6.770 726 1HB TYR 94 1HB TYR 94 -2.256 -0.854 4.452 727 2HB TYR 94 2HB TYR 94 -2.765 -2.382 5.038 728 HD1 TYR 94 1HD TYR 94 -2.198 1.113 6.235 729 HD2 TYR 94 2HD TYR 94 -4.216 -2.636 6.881 730 HE1 TYR 94 1HE TYR 94 -3.384 2.088 8.169 731 HE2 TYR 94 2HE TYR 94 -5.517 -1.653 8.711 732 HH TYR 94 HH TYR 94 -5.436 0.190 10.280 733 H LEU 95 H LEU 95 -1.408 -4.162 5.604 734 HA LEU 95 HA LEU 95 0.892 -4.719 3.801 735 1HB LEU 95 1HB LEU 95 1.549 -5.246 5.968 736 2HB LEU 95 2HB LEU 95 0.054 -6.092 6.329 737 HG LEU 95 HG LEU 95 0.679 -7.958 4.887 738 1HD1 LEU 95 1HD1 LEU 95 2.867 -6.091 3.961 739 2HD1 LEU 95 2HD1 LEU 95 3.090 -7.854 3.902 740 3HD1 LEU 95 3HD1 LEU 95 1.796 -7.119 2.988 741 1HD2 LEU 95 1HD2 LEU 95 2.672 -8.747 6.048 742 2HD2 LEU 95 2HD2 LEU 95 3.136 -7.090 6.484 743 3HD2 LEU 95 3HD2 LEU 95 1.698 -7.829 7.197 744 H ILE 96 H ILE 96 0.485 -5.909 2.111 745 HA ILE 96 HA ILE 96 -2.226 -7.123 1.799 746 HB ILE 96 HB ILE 96 -0.495 -5.641 -0.246 747 1HG1 ILE 96 1HG1 ILE 96 -1.285 -3.982 1.393 748 2HG1 ILE 96 2HG1 ILE 96 -1.986 -3.752 -0.186 749 1HG2 ILE 96 1HG2 ILE 96 -2.508 -5.644 -1.669 750 2HG2 ILE 96 2HG2 ILE 96 -1.915 -7.269 -1.345 751 3HG2 ILE 96 3HG2 ILE 96 -3.349 -6.676 -0.488 752 1HD1 ILE 96 1HD1 ILE 96 -3.400 -5.054 2.166 753 2HD1 ILE 96 2HD1 ILE 96 -3.609 -3.390 1.590 754 3HD1 ILE 96 3HD1 ILE 96 -4.110 -4.742 0.564 755 H ARG 97 H ARG 97 -2.107 -9.286 1.320 756 HA ARG 97 HA ARG 97 0.035 -10.118 -0.576 757 1HB ARG 97 1HB ARG 97 0.209 -11.026 1.936 758 2HB ARG 97 2HB ARG 97 -0.923 -12.210 1.376 759 1HG ARG 97 1HG ARG 97 0.911 -12.586 -0.526 760 2HG ARG 97 2HG ARG 97 1.929 -11.622 0.538 761 1HD ARG 97 1HD ARG 97 2.376 -13.936 0.992 762 2HD ARG 97 2HD ARG 97 1.489 -13.281 2.382 763 HE ARG 97 HE ARG 97 -0.122 -14.535 0.271 764 1HH1 ARG 97 2HH2 ARG 97 1.854 -15.641 2.914 765 2HH1 ARG 97 1HH2 ARG 97 0.691 -16.782 3.484 766 1HH2 ARG 97 2HH1 ARG 97 -1.579 -16.065 0.891 767 2HH2 ARG 97 1HH1 ARG 97 -1.354 -17.042 2.315 768 H TYR 98 H TYR 98 -0.626 -12.504 -1.260 769 HA TYR 98 HA TYR 98 -3.433 -12.603 -2.013 770 1HB TYR 98 1HB TYR 98 -2.390 -13.797 -4.042 771 2HB TYR 98 2HB TYR 98 -2.652 -12.062 -4.063 772 HD1 TYR 98 1HD TYR 98 -1.187 -11.586 -5.855 773 HD2 TYR 98 2HD TYR 98 0.298 -13.953 -2.533 774 HE1 TYR 98 1HE TYR 98 1.043 -11.640 -6.874 775 HE2 TYR 98 2HE TYR 98 2.528 -13.959 -3.549 776 HH TYR 98 HH TYR 98 3.779 -13.465 -5.454 777 H ALA 99 H ALA 99 -4.120 -14.764 -2.522 778 HA ALA 99 HA ALA 99 -3.345 -16.745 -0.648 779 1HB ALA 99 1HB ALA 99 -5.658 -16.444 -1.481 780 2HB ALA 99 2HB ALA 99 -5.136 -16.949 -3.111 781 3HB ALA 99 3HB ALA 99 -5.085 -18.098 -1.762 Start of MODEL 2 1 1H ALA 1 1H ALA 1 13.296 -11.024 -3.471 2 2H ALA 1 2H ALA 1 14.087 -12.466 -3.471 3 3H ALA 1 3H ALA 1 14.842 -11.141 -2.858 4 HA ALA 1 HA ALA 1 13.987 -11.443 -5.640 5 1HB ALA 1 1HB ALA 1 14.103 -9.094 -4.850 6 2HB ALA 1 2HB ALA 1 15.777 -9.384 -4.313 7 3HB ALA 1 3HB ALA 1 15.373 -9.439 -6.036 8 H LEU 2 H LEU 2 15.805 -11.582 -7.147 9 HA LEU 2 HA LEU 2 18.464 -12.227 -6.004 10 1HB LEU 2 1HB LEU 2 17.760 -14.286 -7.040 11 2HB LEU 2 2HB LEU 2 17.130 -13.447 -8.453 12 HG LEU 2 HG LEU 2 19.431 -12.792 -9.116 13 1HD1 LEU 2 1HD1 LEU 2 20.273 -14.394 -6.657 14 2HD1 LEU 2 2HD1 LEU 2 21.369 -13.918 -7.968 15 3HD1 LEU 2 3HD1 LEU 2 20.593 -12.675 -6.995 16 1HD2 LEU 2 1HD2 LEU 2 18.447 -14.888 -9.958 17 2HD2 LEU 2 2HD2 LEU 2 20.204 -15.039 -9.752 18 3HD2 LEU 2 3HD2 LEU 2 19.115 -15.763 -8.559 19 H PHE 3 H PHE 3 16.670 -11.224 -8.944 20 HA PHE 3 HA PHE 3 18.748 -9.560 -9.991 21 1HB PHE 3 1HB PHE 3 15.763 -9.758 -10.528 22 2HB PHE 3 2HB PHE 3 16.850 -8.742 -11.453 23 HD1 PHE 3 1HD PHE 3 18.034 -9.587 -13.297 24 HD2 PHE 3 2HD PHE 3 16.239 -12.360 -10.518 25 HE1 PHE 3 1HE PHE 3 18.502 -11.468 -14.846 26 HE2 PHE 3 2HE PHE 3 16.777 -14.225 -12.027 27 HZ PHE 3 HZ PHE 3 17.882 -13.801 -14.199 28 H SER 4 H SER 4 18.889 -7.363 -10.079 29 HA SER 4 HA SER 4 17.816 -5.769 -7.898 30 1HB SER 4 1HB SER 4 19.564 -5.033 -10.289 31 2HB SER 4 2HB SER 4 19.261 -4.033 -8.853 32 HG SER 4 HG SER 4 21.107 -5.029 -8.374 33 H GLY 5 H GLY 5 17.428 -3.286 -9.275 34 1HA GLY 5 1HA GLY 5 15.866 -2.123 -10.422 35 2HA GLY 5 2HA GLY 5 15.214 -3.605 -11.137 36 H ASP 6 H ASP 6 14.346 -5.152 -9.197 37 HA ASP 6 HA ASP 6 12.005 -3.706 -8.292 38 1HB ASP 6 1HB ASP 6 12.803 -6.537 -7.501 39 2HB ASP 6 2HB ASP 6 11.189 -5.836 -7.492 40 H ILE 7 H ILE 7 11.207 -3.913 -5.972 41 HA ILE 7 HA ILE 7 13.184 -2.910 -4.129 42 HB ILE 7 HB ILE 7 11.309 -2.930 -2.506 43 1HG1 ILE 7 1HG1 ILE 7 9.888 -4.709 -3.751 44 2HG1 ILE 7 2HG1 ILE 7 9.125 -3.351 -2.950 45 1HG2 ILE 7 1HG2 ILE 7 10.141 -1.020 -3.509 46 2HG2 ILE 7 2HG2 ILE 7 11.899 -0.941 -3.640 47 3HG2 ILE 7 3HG2 ILE 7 10.925 -1.377 -5.062 48 1HD1 ILE 7 1HD1 ILE 7 9.548 -3.546 -5.960 49 2HD1 ILE 7 2HD1 ILE 7 8.054 -3.819 -5.066 50 3HD1 ILE 7 3HD1 ILE 7 8.737 -2.214 -5.097 51 H ALA 8 H ALA 8 14.637 -4.633 -4.150 52 HA ALA 8 HA ALA 8 14.046 -7.206 -2.910 53 1HB ALA 8 1HB ALA 8 15.854 -6.953 -4.613 54 2HB ALA 8 2HB ALA 8 16.731 -5.886 -3.500 55 3HB ALA 8 3HB ALA 8 16.479 -7.576 -3.065 56 H ASN 9 H ASN 9 14.596 -4.105 -1.782 57 HA ASN 9 HA ASN 9 15.592 -4.791 0.884 58 1HB ASN 9 1HB ASN 9 14.572 -2.305 -0.497 59 2HB ASN 9 2HB ASN 9 14.403 -2.382 1.244 60 1HD2 ASN 9 1HD2 ASN 9 16.623 -1.619 -1.257 61 2HD2 ASN 9 2HD2 ASN 9 18.044 -1.554 -0.234 62 H LEU 10 H LEU 10 12.514 -4.680 -0.756 63 HA LEU 10 HA LEU 10 10.955 -5.048 1.753 64 1HB LEU 10 1HB LEU 10 10.364 -4.477 -1.155 65 2HB LEU 10 2HB LEU 10 9.132 -4.904 -0.046 66 HG LEU 10 HG LEU 10 9.415 -2.539 -0.548 67 1HD1 LEU 10 1HD1 LEU 10 8.992 -1.693 1.778 68 2HD1 LEU 10 2HD1 LEU 10 8.096 -3.160 1.386 69 3HD1 LEU 10 3HD1 LEU 10 9.554 -3.255 2.407 70 1HD2 LEU 10 1HD2 LEU 10 11.761 -2.448 1.361 71 2HD2 LEU 10 2HD2 LEU 10 11.857 -2.211 -0.405 72 3HD2 LEU 10 3HD2 LEU 10 10.955 -1.079 0.609 73 H THR 11 H THR 11 12.199 -7.256 2.014 74 HA THR 11 HA THR 11 11.281 -9.352 0.202 75 HB THR 11 HB THR 11 12.455 -10.590 2.352 76 HG1 THR 11 1HG THR 11 14.338 -9.383 2.800 77 1HG2 THR 11 1HG2 THR 11 12.978 -10.937 -0.056 78 2HG2 THR 11 2HG2 THR 11 13.899 -9.415 -0.073 79 3HG2 THR 11 3HG2 THR 11 14.448 -10.787 0.915 80 H ALA 12 H ALA 12 10.403 -11.268 1.568 81 HA ALA 12 HA ALA 12 7.733 -10.403 2.450 82 1HB ALA 12 1HB ALA 12 7.867 -12.551 1.258 83 2HB ALA 12 2HB ALA 12 9.228 -13.087 2.268 84 3HB ALA 12 3HB ALA 12 7.638 -12.967 2.975 85 H ALA 13 H ALA 13 10.357 -12.073 4.169 86 HA ALA 13 HA ALA 13 8.924 -11.796 6.660 87 1HB ALA 13 1HB ALA 13 10.690 -13.472 6.212 88 2HB ALA 13 2HB ALA 13 11.909 -12.161 6.208 89 3HB ALA 13 3HB ALA 13 10.980 -12.545 7.675 90 H GLU 14 H GLU 14 10.790 -9.519 4.731 91 HA GLU 14 HA GLU 14 11.561 -7.847 6.986 92 1HB GLU 14 1HB GLU 14 12.901 -8.306 4.856 93 2HB GLU 14 2HB GLU 14 11.692 -7.400 3.965 94 1HG GLU 14 1HG GLU 14 13.655 -6.023 4.471 95 2HG GLU 14 2HG GLU 14 12.217 -5.370 5.256 96 H ILE 15 H ILE 15 9.075 -7.923 4.309 97 HA ILE 15 HA ILE 15 7.885 -5.448 5.179 98 HB ILE 15 HB ILE 15 7.111 -7.731 3.348 99 1HG1 ILE 15 1HG1 ILE 15 7.292 -4.718 2.936 100 2HG1 ILE 15 2HG1 ILE 15 8.648 -5.799 2.664 101 1HG2 ILE 15 1HG2 ILE 15 5.013 -6.926 4.611 102 2HG2 ILE 15 2HG2 ILE 15 5.242 -5.350 3.842 103 3HG2 ILE 15 3HG2 ILE 15 4.934 -6.807 2.882 104 1HD1 ILE 15 1HD1 ILE 15 7.169 -5.050 0.631 105 2HD1 ILE 15 2HD1 ILE 15 7.704 -6.744 0.736 106 3HD1 ILE 15 3HD1 ILE 15 6.043 -6.265 1.145 107 H GLU 16 H GLU 16 7.255 -8.948 5.851 108 HA GLU 16 HA GLU 16 5.083 -8.523 7.556 109 1HB GLU 16 1HB GLU 16 7.278 -10.602 7.856 110 2HB GLU 16 2HB GLU 16 5.854 -10.508 8.897 111 1HG GLU 16 1HG GLU 16 4.486 -10.580 6.663 112 2HG GLU 16 2HG GLU 16 5.965 -11.273 5.981 113 H GLN 17 H GLN 17 8.533 -8.582 8.712 114 HA GLN 17 HA GLN 17 7.601 -7.796 11.380 115 1HB GLN 17 1HB GLN 17 9.278 -9.356 11.342 116 2HB GLN 17 2HB GLN 17 10.218 -8.515 10.093 117 1HG GLN 17 1HG GLN 17 10.998 -6.882 11.643 118 2HG GLN 17 2HG GLN 17 9.878 -7.446 12.901 119 1HE2 GLN 17 1HE2 GLN 17 10.412 -9.324 14.111 120 2HE2 GLN 17 2HE2 GLN 17 11.897 -10.235 13.866 121 H GLY 18 H GLY 18 8.588 -6.223 8.396 122 1HA GLY 18 1HA GLY 18 9.511 -3.815 9.504 123 2HA GLY 18 2HA GLY 18 8.883 -4.083 7.863 124 H PHE 19 H PHE 19 6.328 -5.102 8.499 125 HA PHE 19 HA PHE 19 5.016 -2.568 9.347 126 1HB PHE 19 1HB PHE 19 4.454 -4.426 7.023 127 2HB PHE 19 2HB PHE 19 3.550 -2.974 7.407 128 HD1 PHE 19 1HD PHE 19 6.170 -4.191 5.432 129 HD2 PHE 19 2HD PHE 19 5.187 -0.827 7.879 130 HE1 PHE 19 1HE PHE 19 7.968 -2.878 4.322 131 HE2 PHE 19 2HE PHE 19 6.936 0.537 6.732 132 HZ PHE 19 HZ PHE 19 8.334 -0.521 4.945 133 H LYS 20 H LYS 20 5.332 -5.531 10.487 134 HA LYS 20 HA LYS 20 2.847 -6.360 11.330 135 1HB LYS 20 1HB LYS 20 5.648 -6.773 12.054 136 2HB LYS 20 2HB LYS 20 4.706 -6.725 13.523 137 1HG LYS 20 1HG LYS 20 3.159 -8.433 12.657 138 2HG LYS 20 2HG LYS 20 3.991 -8.424 11.096 139 1HD LYS 20 1HD LYS 20 6.128 -9.046 12.485 140 2HD LYS 20 2HD LYS 20 4.987 -9.471 13.766 141 1HE LYS 20 1HE LYS 20 5.078 -10.591 10.920 142 2HE LYS 20 2HE LYS 20 5.607 -11.415 12.395 143 1HZ LYS 20 1HZ LYS 20 2.834 -10.667 11.722 144 2HZ LYS 20 2HZ LYS 20 3.448 -12.157 11.751 145 3HZ LYS 20 3HZ LYS 20 3.302 -11.332 13.168 146 H ASP 21 H ASP 21 3.411 -3.284 11.675 147 HA ASP 21 HA ASP 21 2.641 -2.772 14.464 148 1HB ASP 21 1HB ASP 21 4.112 -1.231 13.236 149 2HB ASP 21 2HB ASP 21 2.898 -1.015 11.975 150 H VAL 22 H VAL 22 1.080 -3.005 11.134 151 HA VAL 22 HA VAL 22 -1.534 -2.534 12.365 152 HB VAL 22 HB VAL 22 -1.654 -2.295 9.620 153 1HG1 VAL 22 1HG1 VAL 22 -2.743 -0.823 11.361 154 2HG1 VAL 22 2HG1 VAL 22 -1.202 0.029 11.530 155 3HG1 VAL 22 3HG1 VAL 22 -2.100 0.068 9.984 156 1HG2 VAL 22 1HG2 VAL 22 0.874 -0.815 10.310 157 2HG2 VAL 22 2HG2 VAL 22 0.701 -2.205 9.209 158 3HG2 VAL 22 3HG2 VAL 22 -0.093 -0.668 8.834 159 HA PRO 23 HA PRO 23 -2.419 -6.660 10.773 160 1HB PRO 23 1HB PRO 23 -4.984 -6.520 9.826 161 2HB PRO 23 2HB PRO 23 -4.612 -6.431 11.569 162 1HG PRO 23 1HG PRO 23 -5.041 -4.135 9.639 163 2HG PRO 23 2HG PRO 23 -5.819 -4.415 11.231 164 1HD PRO 23 1HD PRO 23 -3.662 -2.778 10.923 165 2HD PRO 23 2HD PRO 23 -3.842 -3.790 12.389 166 H SER 24 H SER 24 -3.375 -7.656 8.703 167 HA SER 24 HA SER 24 -2.167 -6.331 6.346 168 1HB SER 24 1HB SER 24 -1.623 -8.844 5.779 169 2HB SER 24 2HB SER 24 -0.650 -7.999 6.980 170 HG SER 24 HG SER 24 -2.744 -9.859 7.456 171 H PHE 25 H PHE 25 -2.985 -7.700 4.239 172 HA PHE 25 HA PHE 25 -5.633 -8.924 4.644 173 1HB PHE 25 1HB PHE 25 -6.025 -6.667 3.939 174 2HB PHE 25 2HB PHE 25 -4.803 -6.781 2.666 175 HD1 PHE 25 1HD PHE 25 -5.473 -7.228 0.445 176 HD2 PHE 25 2HD PHE 25 -8.033 -8.447 3.704 177 HE1 PHE 25 1HE PHE 25 -7.142 -8.041 -1.168 178 HE2 PHE 25 2HE PHE 25 -9.647 -9.355 2.064 179 HZ PHE 25 HZ PHE 25 -9.249 -9.120 -0.356 180 H VAL 26 H VAL 26 -6.149 -10.371 2.816 181 HA VAL 26 HA VAL 26 -4.026 -10.997 1.003 182 HB VAL 26 HB VAL 26 -3.756 -12.292 3.099 183 1HG1 VAL 26 1HG1 VAL 26 -5.189 -14.144 3.620 184 2HG1 VAL 26 2HG1 VAL 26 -6.115 -12.632 3.696 185 3HG1 VAL 26 3HG1 VAL 26 -6.303 -13.722 2.301 186 1HG2 VAL 26 1HG2 VAL 26 -4.434 -13.906 0.617 187 2HG2 VAL 26 2HG2 VAL 26 -2.877 -13.112 0.988 188 3HG2 VAL 26 3HG2 VAL 26 -3.431 -14.472 1.969 189 H HIS 27 H HIS 27 -5.038 -11.369 -1.089 190 HA HIS 27 HA HIS 27 -7.823 -12.456 -0.927 191 1HB HIS 27 1HB HIS 27 -8.299 -11.494 -3.097 192 2HB HIS 27 2HB HIS 27 -7.972 -10.290 -1.867 193 HD1 HIS 27 1HD HIS 27 -7.747 -8.810 -4.219 194 HD2 HIS 27 2HD HIS 27 -4.681 -11.500 -3.199 195 HE1 HIS 27 1HE HIS 27 -5.593 -7.878 -5.203 196 H GLU 28 H GLU 28 -8.198 -13.533 -3.165 197 HA GLU 28 HA GLU 28 -6.211 -15.757 -3.285 198 1HB GLU 28 1HB GLU 28 -8.686 -16.142 -2.941 199 2HB GLU 28 2HB GLU 28 -8.915 -15.682 -4.637 200 1HG GLU 28 1HG GLU 28 -7.267 -17.546 -5.240 201 2HG GLU 28 2HG GLU 28 -7.214 -17.977 -3.531 202 H GLY 29 H GLY 29 -4.909 -13.818 -4.255 203 1HA GLY 29 1HA GLY 29 -3.734 -12.963 -6.076 204 2HA GLY 29 2HA GLY 29 -4.196 -14.462 -6.890 205 H GLY 30 H GLY 30 -4.202 -13.162 -8.806 206 1HA GLY 30 1HA GLY 30 -5.493 -12.396 -10.593 207 2HA GLY 30 2HA GLY 30 -6.772 -11.878 -9.466 208 H ASP 31 H ASP 31 -4.642 -10.540 -11.574 209 HA ASP 31 HA ASP 31 -3.509 -8.520 -9.841 210 1HB ASP 31 1HB ASP 31 -2.762 -7.279 -11.559 211 2HB ASP 31 2HB ASP 31 -2.477 -8.945 -12.016 212 H VAL 32 H VAL 32 -4.410 -6.524 -9.220 213 HA VAL 32 HA VAL 32 -7.280 -6.204 -9.723 214 HB VAL 32 HB VAL 32 -6.065 -7.562 -7.411 215 1HG1 VAL 32 1HG1 VAL 32 -6.995 -5.548 -6.253 216 2HG1 VAL 32 2HG1 VAL 32 -8.595 -5.946 -6.928 217 3HG1 VAL 32 3HG1 VAL 32 -7.812 -7.037 -5.796 218 1HG2 VAL 32 1HG2 VAL 32 -8.218 -8.803 -7.361 219 2HG2 VAL 32 2HG2 VAL 32 -8.842 -7.766 -8.661 220 3HG2 VAL 32 3HG2 VAL 32 -7.478 -8.863 -8.945 221 HA PRO 33 HA PRO 33 -5.465 -2.384 -9.086 222 1HB PRO 33 1HB PRO 33 -7.558 -0.684 -9.113 223 2HB PRO 33 2HB PRO 33 -7.238 -1.766 -10.507 224 1HG PRO 33 1HG PRO 33 -9.111 -2.258 -8.218 225 2HG PRO 33 2HG PRO 33 -9.507 -2.330 -9.974 226 1HD PRO 33 1HD PRO 33 -8.829 -4.580 -8.536 227 2HD PRO 33 2HD PRO 33 -8.265 -4.372 -10.216 228 H LEU 34 H LEU 34 -4.784 -0.939 -7.674 229 HA LEU 34 HA LEU 34 -4.884 -1.229 -4.988 230 1HB LEU 34 1HB LEU 34 -3.767 0.631 -4.660 231 2HB LEU 34 2HB LEU 34 -3.294 0.022 -6.229 232 HG LEU 34 HG LEU 34 -4.876 2.462 -5.526 233 1HD1 LEU 34 1HD1 LEU 34 -3.048 3.579 -6.845 234 2HD1 LEU 34 2HD1 LEU 34 -2.425 2.629 -5.489 235 3HD1 LEU 34 3HD1 LEU 34 -2.345 1.987 -7.139 236 1HD2 LEU 34 1HD2 LEU 34 -6.088 1.666 -7.489 237 2HD2 LEU 34 2HD2 LEU 34 -5.014 2.958 -8.024 238 3HD2 LEU 34 3HD2 LEU 34 -4.560 1.265 -8.296 239 H VAL 35 H VAL 35 -7.468 0.319 -6.804 240 HA VAL 35 HA VAL 35 -8.790 1.334 -4.434 241 HB VAL 35 HB VAL 35 -8.955 2.379 -6.744 242 1HG1 VAL 35 1HG1 VAL 35 -9.103 0.384 -8.113 243 2HG1 VAL 35 2HG1 VAL 35 -10.708 0.027 -7.463 244 3HG1 VAL 35 3HG1 VAL 35 -10.439 1.483 -8.434 245 1HG2 VAL 35 1HG2 VAL 35 -11.720 1.625 -5.799 246 2HG2 VAL 35 2HG2 VAL 35 -10.701 2.822 -4.966 247 3HG2 VAL 35 3HG2 VAL 35 -11.197 3.081 -6.647 248 H GLU 36 H GLU 36 -8.720 -1.835 -5.636 249 HA GLU 36 HA GLU 36 -11.213 -2.383 -4.079 250 1HB GLU 36 1HB GLU 36 -9.853 -4.101 -6.173 251 2HB GLU 36 2HB GLU 36 -11.320 -4.496 -5.272 252 1HG GLU 36 1HG GLU 36 -10.950 -2.308 -7.354 253 2HG GLU 36 2HG GLU 36 -11.961 -3.722 -7.491 254 H LEU 37 H LEU 37 -7.651 -3.055 -4.348 255 HA LEU 37 HA LEU 37 -7.892 -5.180 -2.340 256 1HB LEU 37 1HB LEU 37 -5.508 -5.357 -2.420 257 2HB LEU 37 2HB LEU 37 -6.159 -5.354 -4.049 258 HG LEU 37 HG LEU 37 -5.636 -2.777 -3.945 259 1HD1 LEU 37 1HD1 LEU 37 -3.287 -3.643 -2.260 260 2HD1 LEU 37 2HD1 LEU 37 -3.820 -2.014 -2.678 261 3HD1 LEU 37 3HD1 LEU 37 -4.700 -2.960 -1.467 262 1HD2 LEU 37 1HD2 LEU 37 -4.605 -4.343 -5.517 263 2HD2 LEU 37 2HD2 LEU 37 -3.379 -3.235 -4.894 264 3HD2 LEU 37 3HD2 LEU 37 -3.472 -4.895 -4.274 265 H LEU 38 H LEU 38 -7.369 -1.553 -2.399 266 HA LEU 38 HA LEU 38 -6.243 -1.869 0.161 267 1HB LEU 38 1HB LEU 38 -5.454 0.166 0.081 268 2HB LEU 38 2HB LEU 38 -5.696 0.006 -1.626 269 HG LEU 38 HG LEU 38 -7.612 1.381 0.313 270 1HD1 LEU 38 1HD1 LEU 38 -5.389 2.507 0.137 271 2HD1 LEU 38 2HD1 LEU 38 -5.588 2.592 -1.606 272 3HD1 LEU 38 3HD1 LEU 38 -6.691 3.501 -0.542 273 1HD2 LEU 38 1HD2 LEU 38 -8.698 0.689 -1.886 274 2HD2 LEU 38 2HD2 LEU 38 -8.698 2.427 -1.515 275 3HD2 LEU 38 3HD2 LEU 38 -7.534 1.766 -2.666 276 H VAL 39 H VAL 39 -9.309 -1.429 -1.215 277 HA VAL 39 HA VAL 39 -10.746 -0.320 1.077 278 HB VAL 39 HB VAL 39 -11.116 -1.050 -1.727 279 1HG1 VAL 39 1HG1 VAL 39 -13.618 -1.175 -1.630 280 2HG1 VAL 39 2HG1 VAL 39 -12.828 -2.604 -0.989 281 3HG1 VAL 39 3HG1 VAL 39 -13.511 -1.396 0.129 282 1HG2 VAL 39 1HG2 VAL 39 -12.634 1.011 -0.179 283 2HG2 VAL 39 2HG2 VAL 39 -10.984 1.221 -0.830 284 3HG2 VAL 39 3HG2 VAL 39 -12.332 0.912 -1.929 285 H SER 40 H SER 40 -10.374 -3.553 -0.547 286 HA SER 40 HA SER 40 -11.773 -4.949 1.490 287 1HB SER 40 1HB SER 40 -10.703 -5.561 -1.046 288 2HB SER 40 2HB SER 40 -9.724 -6.507 0.070 289 HG SER 40 HG SER 40 -12.552 -6.387 -0.189 290 H ALA 41 H ALA 41 -8.310 -3.999 1.027 291 HA ALA 41 HA ALA 41 -7.594 -5.534 3.355 292 1HB ALA 41 1HB ALA 41 -6.037 -3.381 1.852 293 2HB ALA 41 2HB ALA 41 -5.364 -4.427 3.127 294 3HB ALA 41 3HB ALA 41 -5.939 -5.105 1.595 295 H GLY 42 H GLY 42 -8.926 -2.315 2.994 296 1HA GLY 42 1HA GLY 42 -10.274 -1.546 4.775 297 2HA GLY 42 2HA GLY 42 -9.328 -2.505 5.923 298 H ILE 43 H ILE 43 -7.820 -0.633 3.442 299 HA ILE 43 HA ILE 43 -6.380 1.122 5.269 300 HB ILE 43 HB ILE 43 -6.586 0.745 2.265 301 1HG1 ILE 43 1HG1 ILE 43 -4.392 -0.047 2.148 302 2HG1 ILE 43 2HG1 ILE 43 -3.991 0.454 3.771 303 1HG2 ILE 43 1HG2 ILE 43 -4.942 2.799 3.838 304 2HG2 ILE 43 2HG2 ILE 43 -4.559 2.383 2.164 305 3HG2 ILE 43 3HG2 ILE 43 -6.117 3.131 2.548 306 1HD1 ILE 43 1HD1 ILE 43 -5.993 -1.707 3.130 307 2HD1 ILE 43 2HD1 ILE 43 -4.278 -2.029 3.432 308 3HD1 ILE 43 3HD1 ILE 43 -5.298 -1.356 4.723 309 H SER 44 H SER 44 -9.067 1.339 2.670 310 HA SER 44 HA SER 44 -10.319 3.226 4.472 311 1HB SER 44 1HB SER 44 -8.914 4.232 2.036 312 2HB SER 44 2HB SER 44 -10.590 4.773 2.259 313 HG SER 44 HG SER 44 -8.484 5.741 3.482 314 HA PRO 45 HA PRO 45 -13.014 0.463 2.153 315 1HB PRO 45 1HB PRO 45 -15.047 0.167 3.915 316 2HB PRO 45 2HB PRO 45 -13.412 -0.492 4.264 317 1HG PRO 45 1HG PRO 45 -14.653 2.080 5.280 318 2HG PRO 45 2HG PRO 45 -13.725 0.853 6.198 319 1HD PRO 45 1HD PRO 45 -12.669 3.203 5.095 320 2HD PRO 45 2HD PRO 45 -11.700 1.749 5.488 321 H SER 46 H SER 46 -13.594 3.732 3.052 322 HA SER 46 HA SER 46 -16.359 3.921 2.225 323 1HB SER 46 1HB SER 46 -14.260 5.756 3.307 324 2HB SER 46 2HB SER 46 -15.965 6.181 3.157 325 HG SER 46 HG SER 46 -16.400 4.513 4.693 326 H LYS 47 H LYS 47 -16.444 3.850 -0.091 327 HA LYS 47 HA LYS 47 -14.286 4.025 -1.614 328 1HB LYS 47 1HB LYS 47 -16.833 3.391 -2.139 329 2HB LYS 47 2HB LYS 47 -16.783 4.925 -2.998 330 1HG LYS 47 1HG LYS 47 -16.283 3.144 -4.533 331 2HG LYS 47 2HG LYS 47 -14.789 4.067 -4.303 332 1HD LYS 47 1HD LYS 47 -13.874 2.333 -2.854 333 2HD LYS 47 2HD LYS 47 -15.440 1.506 -2.766 334 1HE LYS 47 1HE LYS 47 -15.324 1.019 -5.181 335 2HE LYS 47 2HE LYS 47 -13.753 1.830 -5.290 336 1HZ LYS 47 1HZ LYS 47 -13.641 -0.608 -5.093 337 2HZ LYS 47 2HZ LYS 47 -12.820 0.087 -3.892 338 3HZ LYS 47 3HZ LYS 47 -14.349 -0.570 -3.655 339 H ARG 48 H ARG 48 -16.003 7.051 -0.852 340 HA ARG 48 HA ARG 48 -14.455 8.678 -2.685 341 1HB ARG 48 1HB ARG 48 -16.426 9.600 -1.564 342 2HB ARG 48 2HB ARG 48 -15.697 9.405 0.029 343 1HG ARG 48 1HG ARG 48 -14.300 11.087 -2.074 344 2HG ARG 48 2HG ARG 48 -15.707 11.740 -1.240 345 1HD ARG 48 1HD ARG 48 -14.627 11.644 0.918 346 2HD ARG 48 2HD ARG 48 -13.257 10.739 0.262 347 HE ARG 48 HE ARG 48 -13.764 13.349 -0.954 348 1HH1 ARG 48 2HH2 ARG 48 -11.819 11.724 1.670 349 2HH1 ARG 48 1HH2 ARG 48 -10.422 12.635 1.250 350 1HH2 ARG 48 2HH1 ARG 48 -11.864 14.665 -1.223 351 2HH2 ARG 48 1HH1 ARG 48 -10.460 14.304 -0.280 352 H GLN 49 H GLN 49 -13.932 7.642 0.720 353 HA GLN 49 HA GLN 49 -11.554 9.153 0.994 354 1HB GLN 49 1HB GLN 49 -13.035 7.863 2.857 355 2HB GLN 49 2HB GLN 49 -11.985 6.523 2.501 356 1HG GLN 49 1HG GLN 49 -11.229 8.083 4.430 357 2HG GLN 49 2HG GLN 49 -10.028 7.634 3.223 358 1HE2 GLN 49 1HE2 GLN 49 -8.696 9.288 2.552 359 2HE2 GLN 49 2HE2 GLN 49 -9.241 10.932 2.305 360 H ALA 50 H ALA 50 -12.252 5.774 0.284 361 HA ALA 50 HA ALA 50 -9.769 4.779 -0.127 362 1HB ALA 50 1HB ALA 50 -10.745 3.230 -1.786 363 2HB ALA 50 2HB ALA 50 -11.918 3.505 -0.472 364 3HB ALA 50 3HB ALA 50 -12.111 4.292 -2.044 365 H ARG 51 H ARG 51 -11.709 6.355 -2.766 366 HA ARG 51 HA ARG 51 -9.475 6.246 -4.527 367 1HB ARG 51 1HB ARG 51 -12.131 7.688 -4.727 368 2HB ARG 51 2HB ARG 51 -10.846 7.921 -5.926 369 1HG ARG 51 1HG ARG 51 -10.698 5.412 -6.189 370 2HG ARG 51 2HG ARG 51 -12.153 5.266 -5.191 371 1HD ARG 51 1HD ARG 51 -13.445 6.518 -6.849 372 2HD ARG 51 2HD ARG 51 -11.992 6.864 -7.789 373 HE ARG 51 HE ARG 51 -13.463 4.296 -7.582 374 1HH1 ARG 51 2HH2 ARG 51 -10.549 5.898 -8.907 375 2HH1 ARG 51 1HH2 ARG 51 -10.388 4.804 -10.220 376 1HH2 ARG 51 2HH1 ARG 51 -12.965 2.620 -9.076 377 2HH2 ARG 51 1HH1 ARG 51 -11.786 2.877 -10.298 378 H GLU 52 H GLU 52 -10.188 8.724 -2.091 379 HA GLU 52 HA GLU 52 -7.995 10.319 -3.305 380 1HB GLU 52 1HB GLU 52 -9.754 11.508 -2.004 381 2HB GLU 52 2HB GLU 52 -9.343 10.535 -0.589 382 1HG GLU 52 1HG GLU 52 -6.948 11.577 -0.730 383 2HG GLU 52 2HG GLU 52 -7.570 12.630 -1.967 384 H ASP 53 H ASP 53 -8.280 7.963 -0.633 385 HA ASP 53 HA ASP 53 -5.658 8.362 0.300 386 1HB ASP 53 1HB ASP 53 -7.904 6.357 0.584 387 2HB ASP 53 2HB ASP 53 -6.322 5.805 0.922 388 H ILE 54 H ILE 54 -6.887 6.956 -2.445 389 HA ILE 54 HA ILE 54 -4.358 5.735 -3.155 390 HB ILE 54 HB ILE 54 -6.956 6.183 -4.709 391 1HG1 ILE 54 1HG1 ILE 54 -5.875 3.481 -3.837 392 2HG1 ILE 54 2HG1 ILE 54 -6.953 4.415 -2.833 393 1HG2 ILE 54 1HG2 ILE 54 -4.422 4.804 -5.609 394 2HG2 ILE 54 2HG2 ILE 54 -5.981 4.574 -6.441 395 3HG2 ILE 54 3HG2 ILE 54 -5.238 6.166 -6.382 396 1HD1 ILE 54 1HD1 ILE 54 -8.571 3.337 -3.969 397 2HD1 ILE 54 2HD1 ILE 54 -8.327 4.560 -5.208 398 3HD1 ILE 54 3HD1 ILE 54 -7.470 3.024 -5.356 399 H GLN 55 H GLN 55 -6.484 8.418 -4.443 400 HA GLN 55 HA GLN 55 -4.657 9.079 -6.488 401 1HB GLN 55 1HB GLN 55 -7.027 10.492 -5.220 402 2HB GLN 55 2HB GLN 55 -6.044 11.298 -6.415 403 1HG GLN 55 1HG GLN 55 -6.488 9.656 -8.097 404 2HG GLN 55 2HG GLN 55 -7.371 8.636 -6.959 405 1HE2 GLN 55 1HE2 GLN 55 -9.501 8.761 -7.822 406 2HE2 GLN 55 2HE2 GLN 55 -10.312 10.309 -8.099 407 H ASN 56 H ASN 56 -4.416 9.729 -3.137 408 HA ASN 56 HA ASN 56 -2.764 12.071 -3.651 409 1HB ASN 56 1HB ASN 56 -3.378 10.386 -1.142 410 2HB ASN 56 2HB ASN 56 -2.210 11.700 -1.091 411 1HD2 ASN 56 1HD2 ASN 56 -4.455 13.194 -2.996 412 2HD2 ASN 56 2HD2 ASN 56 -5.473 13.826 -1.740 413 H GLY 57 H GLY 57 -0.759 12.219 -3.890 414 1HA GLY 57 1HA GLY 57 1.018 9.955 -4.026 415 2HA GLY 57 2HA GLY 57 1.422 11.675 -4.233 416 H ALA 58 H ALA 58 -0.279 10.270 -1.601 417 HA ALA 58 HA ALA 58 2.042 10.345 0.245 418 1HB ALA 58 1HB ALA 58 0.526 12.124 0.893 419 2HB ALA 58 2HB ALA 58 -0.841 10.996 0.865 420 3HB ALA 58 3HB ALA 58 0.457 10.812 2.083 421 H ILE 59 H ILE 59 -0.258 8.235 -1.454 422 HA ILE 59 HA ILE 59 0.344 6.023 0.487 423 HB ILE 59 HB ILE 59 -1.788 6.299 -0.069 424 1HG1 ILE 59 1HG1 ILE 59 -1.031 4.154 0.348 425 2HG1 ILE 59 2HG1 ILE 59 -2.397 4.159 -0.770 426 1HG2 ILE 59 1HG2 ILE 59 -2.269 7.293 -2.052 427 2HG2 ILE 59 2HG2 ILE 59 -0.866 6.607 -2.912 428 3HG2 ILE 59 3HG2 ILE 59 -2.324 5.657 -2.675 429 1HD1 ILE 59 1HD1 ILE 59 -0.535 4.088 -2.650 430 2HD1 ILE 59 2HD1 ILE 59 0.491 3.553 -1.291 431 3HD1 ILE 59 3HD1 ILE 59 -0.967 2.638 -1.763 432 H TYR 60 H TYR 60 2.436 6.120 0.544 433 HA TYR 60 HA TYR 60 4.046 5.626 -1.791 434 1HB TYR 60 1HB TYR 60 4.807 5.491 1.130 435 2HB TYR 60 2HB TYR 60 5.866 5.583 -0.238 436 HD1 TYR 60 1HD TYR 60 6.365 7.729 -1.326 437 HD2 TYR 60 2HD TYR 60 3.527 7.490 1.931 438 HE1 TYR 60 1HE TYR 60 6.443 10.188 -1.065 439 HE2 TYR 60 2HE TYR 60 3.634 9.924 2.210 440 HH TYR 60 HH TYR 60 6.086 11.768 1.025 441 H VAL 61 H VAL 61 3.799 3.672 -2.724 442 HA VAL 61 HA VAL 61 3.042 1.324 -1.082 443 HB VAL 61 HB VAL 61 3.540 1.417 -4.100 444 1HG1 VAL 61 1HG1 VAL 61 3.699 -0.815 -3.023 445 2HG1 VAL 61 2HG1 VAL 61 2.133 -0.550 -2.238 446 3HG1 VAL 61 3HG1 VAL 61 2.212 -0.704 -3.983 447 1HG2 VAL 61 1HG2 VAL 61 1.080 1.858 -2.447 448 2HG2 VAL 61 2HG2 VAL 61 1.650 2.851 -3.780 449 3HG2 VAL 61 3HG2 VAL 61 0.933 1.237 -4.057 450 H ASN 62 H ASN 62 4.744 -0.106 -0.398 451 HA ASN 62 HA ASN 62 6.799 -0.805 -0.143 452 1HB ASN 62 1HB ASN 62 7.006 -0.337 -3.068 453 2HB ASN 62 2HB ASN 62 8.351 -0.946 -2.116 454 1HD2 ASN 62 1HD2 ASN 62 5.596 -1.831 -3.778 455 2HD2 ASN 62 2HD2 ASN 62 5.523 -3.458 -3.118 456 H GLY 63 H GLY 63 6.381 2.466 -0.618 457 1HA GLY 63 1HA GLY 63 7.788 4.007 0.800 458 2HA GLY 63 2HA GLY 63 9.182 3.157 0.122 459 H GLU 64 H GLU 64 6.734 3.369 -2.331 460 HA GLU 64 HA GLU 64 8.092 5.702 -3.519 461 1HB GLU 64 1HB GLU 64 8.727 3.430 -4.410 462 2HB GLU 64 2HB GLU 64 7.025 3.187 -4.778 463 1HG GLU 64 1HG GLU 64 7.845 3.870 -6.805 464 2HG GLU 64 2HG GLU 64 7.223 5.395 -6.175 465 H ARG 65 H ARG 65 6.629 7.308 -3.950 466 HA ARG 65 HA ARG 65 3.845 7.157 -3.141 467 1HB ARG 65 1HB ARG 65 4.713 9.251 -2.827 468 2HB ARG 65 2HB ARG 65 5.790 9.188 -4.207 469 1HG ARG 65 1HG ARG 65 2.882 9.294 -4.873 470 2HG ARG 65 2HG ARG 65 3.529 10.686 -4.021 471 1HD ARG 65 1HD ARG 65 4.994 9.668 -6.446 472 2HD ARG 65 2HD ARG 65 3.573 10.725 -6.580 473 HE ARG 65 HE ARG 65 5.689 11.629 -4.732 474 1HH1 ARG 65 2HH2 ARG 65 4.716 11.682 -8.115 475 2HH1 ARG 65 1HH2 ARG 65 5.084 13.348 -8.375 476 1HH2 ARG 65 2HH1 ARG 65 6.403 13.679 -5.042 477 2HH2 ARG 65 1HH1 ARG 65 6.344 14.463 -6.611 478 H LEU 66 H LEU 66 2.448 5.830 -4.348 479 HA LEU 66 HA LEU 66 2.606 6.066 -7.311 480 1HB LEU 66 1HB LEU 66 2.834 3.645 -5.611 481 2HB LEU 66 2HB LEU 66 2.365 3.625 -7.322 482 HG LEU 66 HG LEU 66 5.001 4.645 -6.216 483 1HD1 LEU 66 1HD1 LEU 66 4.287 2.124 -7.720 484 2HD1 LEU 66 2HD1 LEU 66 5.896 2.601 -7.113 485 3HD1 LEU 66 3HD1 LEU 66 4.606 2.250 -5.962 486 1HD2 LEU 66 1HD2 LEU 66 5.867 4.668 -8.466 487 2HD2 LEU 66 2HD2 LEU 66 4.318 4.172 -9.145 488 3HD2 LEU 66 3HD2 LEU 66 4.501 5.766 -8.386 489 H GLN 67 H GLN 67 0.716 7.377 -7.138 490 HA GLN 67 HA GLN 67 -1.614 6.358 -5.658 491 1HB GLN 67 1HB GLN 67 -2.527 8.623 -6.137 492 2HB GLN 67 2HB GLN 67 -1.152 8.538 -5.075 493 1HG GLN 67 1HG GLN 67 -1.548 10.472 -6.621 494 2HG GLN 67 2HG GLN 67 0.050 9.913 -6.397 495 1HE2 GLN 67 1HE2 GLN 67 1.140 8.904 -8.470 496 2HE2 GLN 67 2HE2 GLN 67 0.255 8.843 -9.959 497 H ASP 68 H ASP 68 -0.891 4.933 -8.246 498 HA ASP 68 HA ASP 68 -3.478 5.430 -9.571 499 1HB ASP 68 1HB ASP 68 -1.562 6.802 -10.591 500 2HB ASP 68 2HB ASP 68 -0.909 5.254 -11.164 501 H VAL 69 H VAL 69 -4.172 3.856 -11.026 502 HA VAL 69 HA VAL 69 -3.800 1.093 -10.260 503 HB VAL 69 HB VAL 69 -5.893 2.174 -10.992 504 1HG1 VAL 69 1HG1 VAL 69 -4.793 2.275 -13.811 505 2HG1 VAL 69 2HG1 VAL 69 -6.438 2.659 -13.296 506 3HG1 VAL 69 3HG1 VAL 69 -5.099 3.683 -12.776 507 1HG2 VAL 69 1HG2 VAL 69 -6.746 0.369 -12.376 508 2HG2 VAL 69 2HG2 VAL 69 -5.102 -0.073 -12.866 509 3HG2 VAL 69 3HG2 VAL 69 -5.605 -0.266 -11.175 510 H GLY 70 H GLY 70 -2.710 3.104 -12.982 511 1HA GLY 70 1HA GLY 70 -1.261 0.967 -14.269 512 2HA GLY 70 2HA GLY 70 -1.054 2.717 -14.535 513 H ALA 71 H ALA 71 -0.707 2.478 -11.355 514 HA ALA 71 HA ALA 71 2.221 2.053 -11.449 515 1HB ALA 71 1HB ALA 71 1.596 4.239 -10.588 516 2HB ALA 71 2HB ALA 71 0.670 3.478 -9.278 517 3HB ALA 71 3HB ALA 71 2.416 3.210 -9.408 518 H ILE 72 H ILE 72 -0.665 1.030 -9.310 519 HA ILE 72 HA ILE 72 0.804 -1.514 -9.079 520 HB ILE 72 HB ILE 72 -0.756 -0.392 -6.807 521 1HG1 ILE 72 1HG1 ILE 72 1.760 0.140 -5.992 522 2HG1 ILE 72 2HG1 ILE 72 1.989 0.568 -7.628 523 1HG2 ILE 72 1HG2 ILE 72 -0.070 -2.756 -6.724 524 2HG2 ILE 72 2HG2 ILE 72 1.592 -2.313 -7.103 525 3HG2 ILE 72 3HG2 ILE 72 0.865 -1.869 -5.537 526 1HD1 ILE 72 1HD1 ILE 72 1.191 2.387 -6.020 527 2HD1 ILE 72 2HD1 ILE 72 0.181 2.266 -7.460 528 3HD1 ILE 72 3HD1 ILE 72 -0.338 1.597 -5.895 529 H LEU 73 H LEU 73 -0.389 -3.392 -9.331 530 HA LEU 73 HA LEU 73 -3.220 -3.325 -8.847 531 1HB LEU 73 1HB LEU 73 -1.691 -5.070 -10.781 532 2HB LEU 73 2HB LEU 73 -3.396 -5.206 -10.385 533 HG LEU 73 HG LEU 73 -2.160 -2.713 -11.655 534 1HD1 LEU 73 1HD1 LEU 73 -3.142 -3.414 -13.732 535 2HD1 LEU 73 2HD1 LEU 73 -2.155 -4.764 -13.173 536 3HD1 LEU 73 3HD1 LEU 73 -3.908 -4.814 -12.959 537 1HD2 LEU 73 1HD2 LEU 73 -5.020 -3.448 -11.071 538 2HD2 LEU 73 2HD2 LEU 73 -4.066 -2.003 -10.567 539 3HD2 LEU 73 3HD2 LEU 73 -4.532 -2.221 -12.247 540 H THR 74 H THR 74 -1.162 -6.254 -9.126 541 HA THR 74 HA THR 74 -1.561 -6.654 -6.266 542 HB THR 74 HB THR 74 -0.687 -9.028 -7.164 543 HG1 THR 74 1HG THR 74 -1.150 -9.276 -9.359 544 1HG2 THR 74 1HG2 THR 74 -2.996 -9.540 -7.633 545 2HG2 THR 74 2HG2 THR 74 -2.895 -8.461 -6.243 546 3HG2 THR 74 3HG2 THR 74 -3.394 -7.798 -7.800 547 H ALA 75 H ALA 75 0.207 -8.333 -5.379 548 HA ALA 75 HA ALA 75 2.544 -6.794 -4.914 549 1HB ALA 75 1HB ALA 75 3.368 -9.045 -3.937 550 2HB ALA 75 2HB ALA 75 1.872 -8.357 -3.226 551 3HB ALA 75 3HB ALA 75 1.805 -9.686 -4.378 552 H GLU 76 H GLU 76 1.986 -9.500 -7.241 553 HA GLU 76 HA GLU 76 4.755 -9.458 -8.049 554 1HB GLU 76 1HB GLU 76 3.311 -10.525 -10.206 555 2HB GLU 76 2HB GLU 76 4.222 -11.374 -8.961 556 1HG GLU 76 1HG GLU 76 2.178 -11.491 -7.592 557 2HG GLU 76 2HG GLU 76 1.243 -10.762 -8.891 558 H HIS 77 H HIS 77 2.166 -7.324 -8.602 559 HA HIS 77 HA HIS 77 3.251 -6.235 -11.121 560 1HB HIS 77 1HB HIS 77 0.833 -6.332 -10.613 561 2HB HIS 77 2HB HIS 77 1.083 -5.214 -9.287 562 HD1 HIS 77 1HD HIS 77 2.325 -2.750 -10.167 563 HD2 HIS 77 2HD HIS 77 -0.162 -5.106 -12.553 564 HE1 HIS 77 1HE HIS 77 0.829 -1.151 -11.477 565 H ARG 78 H ARG 78 3.941 -6.030 -7.652 566 HA ARG 78 HA ARG 78 5.035 -3.340 -8.144 567 1HB ARG 78 1HB ARG 78 3.084 -3.665 -6.444 568 2HB ARG 78 2HB ARG 78 4.354 -4.158 -5.361 569 1HG ARG 78 1HG ARG 78 3.738 -1.757 -5.172 570 2HG ARG 78 2HG ARG 78 5.434 -1.982 -5.484 571 1HD ARG 78 1HD ARG 78 3.549 -1.350 -7.779 572 2HD ARG 78 2HD ARG 78 4.178 -0.080 -6.718 573 HE ARG 78 HE ARG 78 6.493 -0.949 -7.320 574 1HH1 ARG 78 2HH2 ARG 78 3.985 -0.469 -9.819 575 2HH1 ARG 78 1HH2 ARG 78 4.976 -1.084 -11.077 576 1HH2 ARG 78 2HH1 ARG 78 7.604 -2.149 -8.932 577 2HH2 ARG 78 1HH1 ARG 78 7.178 -1.843 -10.575 578 H LEU 79 H LEU 79 5.753 -6.172 -5.898 579 HA LEU 79 HA LEU 79 8.576 -5.723 -6.407 580 1HB LEU 79 1HB LEU 79 7.951 -8.082 -4.893 581 2HB LEU 79 2HB LEU 79 8.785 -6.609 -4.410 582 HG LEU 79 HG LEU 79 5.816 -7.142 -4.177 583 1HD1 LEU 79 1HD1 LEU 79 7.110 -8.662 -2.748 584 2HD1 LEU 79 2HD1 LEU 79 8.222 -7.373 -2.259 585 3HD1 LEU 79 3HD1 LEU 79 6.581 -7.362 -1.658 586 1HD2 LEU 79 1HD2 LEU 79 6.292 -4.746 -4.104 587 2HD2 LEU 79 2HD2 LEU 79 5.879 -5.331 -2.495 588 3HD2 LEU 79 3HD2 LEU 79 7.563 -5.016 -2.883 589 H GLU 80 H GLU 80 9.542 -8.119 -6.416 590 HA GLU 80 HA GLU 80 9.285 -9.559 -8.803 591 1HB GLU 80 1HB GLU 80 10.724 -11.106 -7.584 592 2HB GLU 80 2HB GLU 80 11.151 -9.472 -7.064 593 1HG GLU 80 1HG GLU 80 9.520 -9.816 -5.085 594 2HG GLU 80 2HG GLU 80 9.405 -11.498 -5.577 595 H GLY 81 H GLY 81 6.883 -9.391 -6.398 596 1HA GLY 81 1HA GLY 81 4.921 -10.637 -6.279 597 2HA GLY 81 2HA GLY 81 5.720 -11.966 -7.113 598 H ARG 82 H ARG 82 5.465 -10.210 -4.053 599 HA ARG 82 HA ARG 82 5.870 -12.732 -2.593 600 1HB ARG 82 1HB ARG 82 7.900 -10.624 -2.591 601 2HB ARG 82 2HB ARG 82 7.210 -10.794 -0.979 602 1HG ARG 82 1HG ARG 82 8.927 -12.283 -0.864 603 2HG ARG 82 2HG ARG 82 7.613 -13.350 -1.364 604 1HD ARG 82 1HD ARG 82 8.558 -12.741 -3.816 605 2HD ARG 82 2HD ARG 82 9.978 -12.263 -2.902 606 HE ARG 82 HE ARG 82 10.514 -14.436 -2.582 607 1HH1 ARG 82 2HH2 ARG 82 7.168 -14.417 -3.889 608 2HH1 ARG 82 1HH2 ARG 82 6.879 -16.068 -3.319 609 1HH2 ARG 82 2HH1 ARG 82 10.072 -16.799 -2.240 610 2HH2 ARG 82 1HH1 ARG 82 8.419 -17.284 -2.466 611 H PHE 83 H PHE 83 5.392 -9.225 -1.970 612 HA PHE 83 HA PHE 83 2.796 -9.520 -0.694 613 1HB PHE 83 1HB PHE 83 5.394 -8.837 0.763 614 2HB PHE 83 2HB PHE 83 3.870 -8.190 1.301 615 HD1 PHE 83 1HD PHE 83 5.914 -11.232 1.227 616 HD2 PHE 83 2HD PHE 83 2.101 -9.526 2.255 617 HE1 PHE 83 1HE PHE 83 5.570 -12.977 3.008 618 HE2 PHE 83 2HE PHE 83 1.823 -11.208 4.057 619 HZ PHE 83 HZ PHE 83 3.625 -12.889 4.461 620 H THR 84 H THR 84 2.527 -6.914 0.238 621 HA THR 84 HA THR 84 4.323 -5.081 -1.136 622 HB THR 84 HB THR 84 1.507 -5.531 -2.050 623 HG1 THR 84 1HG THR 84 3.547 -6.012 -3.084 624 1HG2 THR 84 1HG2 THR 84 2.807 -2.787 -2.031 625 2HG2 THR 84 2HG2 THR 84 1.411 -3.249 -3.037 626 3HG2 THR 84 3HG2 THR 84 1.254 -3.218 -1.274 627 H VAL 85 H VAL 85 4.207 -2.941 -0.005 628 HA VAL 85 HA VAL 85 2.472 -2.899 2.394 629 HB VAL 85 HB VAL 85 4.829 -3.128 2.953 630 1HG1 VAL 85 1HG1 VAL 85 5.938 -2.161 1.118 631 2HG1 VAL 85 2HG1 VAL 85 5.356 -0.520 1.583 632 3HG1 VAL 85 3HG1 VAL 85 6.481 -1.414 2.619 633 1HG2 VAL 85 1HG2 VAL 85 3.732 -0.355 3.617 634 2HG2 VAL 85 2HG2 VAL 85 3.382 -1.867 4.498 635 3HG2 VAL 85 3HG2 VAL 85 5.005 -1.168 4.474 636 H ILE 86 H ILE 86 1.534 -0.923 2.870 637 HA ILE 86 HA ILE 86 1.328 1.105 0.705 638 HB ILE 86 HB ILE 86 -0.700 -0.369 2.419 639 1HG1 ILE 86 1HG1 ILE 86 0.017 -1.601 0.330 640 2HG1 ILE 86 2HG1 ILE 86 -1.685 -1.160 0.254 641 1HG2 ILE 86 1HG2 ILE 86 -2.462 0.984 1.073 642 2HG2 ILE 86 2HG2 ILE 86 -1.569 1.889 2.301 643 3HG2 ILE 86 3HG2 ILE 86 -1.108 2.026 0.604 644 1HD1 ILE 86 1HD1 ILE 86 -0.332 -0.728 -1.888 645 2HD1 ILE 86 2HD1 ILE 86 -1.275 0.636 -1.273 646 3HD1 ILE 86 3HD1 ILE 86 0.467 0.561 -1.006 647 H ARG 87 H ARG 87 2.373 2.794 1.607 648 HA ARG 87 HA ARG 87 1.858 3.308 4.504 649 1HB ARG 87 1HB ARG 87 3.982 4.728 2.877 650 2HB ARG 87 2HB ARG 87 3.879 4.571 4.602 651 1HG ARG 87 1HG ARG 87 4.456 2.104 4.320 652 2HG ARG 87 2HG ARG 87 4.627 2.399 2.591 653 1HD ARG 87 1HD ARG 87 6.256 4.314 3.350 654 2HD ARG 87 2HD ARG 87 6.309 3.416 4.874 655 HE ARG 87 HE ARG 87 6.905 2.183 2.208 656 1HH1 ARG 87 2HH2 ARG 87 8.188 2.982 5.447 657 2HH1 ARG 87 1HH2 ARG 87 9.535 1.922 5.309 658 1HH2 ARG 87 2HH1 ARG 87 8.881 0.994 1.925 659 2HH2 ARG 87 1HH1 ARG 87 9.922 0.793 3.268 660 H ARG 88 H ARG 88 -0.162 4.209 4.286 661 HA ARG 88 HA ARG 88 -0.605 6.468 2.386 662 1HB ARG 88 1HB ARG 88 -2.462 4.913 2.573 663 2HB ARG 88 2HB ARG 88 -2.373 4.921 4.330 664 1HG ARG 88 1HG ARG 88 -4.301 6.134 3.598 665 2HG ARG 88 2HG ARG 88 -3.218 7.238 4.417 666 1HD ARG 88 1HD ARG 88 -2.942 7.062 1.433 667 2HD ARG 88 2HD ARG 88 -4.457 7.665 2.025 668 HE ARG 88 HE ARG 88 -1.805 8.907 2.614 669 1HH1 ARG 88 2HH2 ARG 88 -5.358 9.373 1.927 670 2HH1 ARG 88 1HH2 ARG 88 -5.047 11.020 1.484 671 1HH2 ARG 88 2HH1 ARG 88 -1.859 11.298 2.869 672 2HH2 ARG 88 1HH1 ARG 88 -3.308 12.076 2.361 673 H GLY 89 H GLY 89 0.531 8.278 3.206 674 1HA GLY 89 1HA GLY 89 1.292 8.724 5.779 675 2HA GLY 89 2HA GLY 89 1.019 10.015 4.614 676 H LYS 90 H LYS 90 -2.057 9.220 4.714 677 HA LYS 90 HA LYS 90 -2.774 10.920 6.956 678 1HB LYS 90 1HB LYS 90 -4.050 10.891 4.863 679 2HB LYS 90 2HB LYS 90 -4.485 9.204 5.126 680 1HG LYS 90 1HG LYS 90 -6.332 10.653 5.576 681 2HG LYS 90 2HG LYS 90 -5.876 9.851 7.059 682 1HD LYS 90 1HD LYS 90 -4.922 12.668 6.408 683 2HD LYS 90 2HD LYS 90 -6.524 12.357 7.091 684 1HE LYS 90 1HE LYS 90 -5.482 11.171 9.019 685 2HE LYS 90 2HE LYS 90 -3.886 11.606 8.408 686 1HZ LYS 90 1HZ LYS 90 -4.574 13.135 10.056 687 2HZ LYS 90 2HZ LYS 90 -4.539 13.937 8.602 688 3HZ LYS 90 3HZ LYS 90 -5.983 13.479 9.270 689 H LYS 91 H LYS 91 -1.764 7.678 6.814 690 HA LYS 91 HA LYS 91 -3.114 6.839 9.230 691 1HB LYS 91 1HB LYS 91 -4.307 6.357 6.762 692 2HB LYS 91 2HB LYS 91 -3.312 4.931 6.900 693 1HG LYS 91 1HG LYS 91 -4.791 4.010 8.355 694 2HG LYS 91 2HG LYS 91 -4.620 5.361 9.456 695 1HD LYS 91 1HD LYS 91 -6.945 5.207 8.884 696 2HD LYS 91 2HD LYS 91 -6.290 6.671 8.123 697 1HE LYS 91 1HE LYS 91 -5.971 5.296 5.995 698 2HE LYS 91 2HE LYS 91 -6.774 3.953 6.819 699 1HZ LYS 91 1HZ LYS 91 -8.743 5.383 6.994 700 2HZ LYS 91 2HZ LYS 91 -7.965 6.572 6.145 701 3HZ LYS 91 3HZ LYS 91 -8.285 5.112 5.450 702 H LYS 92 H LYS 92 -2.232 4.029 8.761 703 HA LYS 92 HA LYS 92 0.682 4.462 8.940 704 1HB LYS 92 1HB LYS 92 -0.866 3.266 10.720 705 2HB LYS 92 2HB LYS 92 -0.737 1.894 9.644 706 1HG LYS 92 1HG LYS 92 1.131 1.417 10.829 707 2HG LYS 92 2HG LYS 92 1.937 2.684 9.911 708 1HD LYS 92 1HD LYS 92 0.588 2.982 12.625 709 2HD LYS 92 2HD LYS 92 2.319 2.882 12.309 710 1HE LYS 92 1HE LYS 92 1.975 5.003 10.832 711 2HE LYS 92 2HE LYS 92 0.400 5.140 11.647 712 1HZ LYS 92 1HZ LYS 92 3.094 5.253 12.804 713 2HZ LYS 92 2HZ LYS 92 1.955 6.418 12.856 714 3HZ LYS 92 3HZ LYS 92 1.776 5.027 13.767 715 H TYR 93 H TYR 93 0.938 1.577 8.491 716 HA TYR 93 HA TYR 93 1.555 1.725 5.615 717 1HB TYR 93 1HB TYR 93 3.343 0.375 7.528 718 2HB TYR 93 2HB TYR 93 3.652 0.931 5.909 719 HD1 TYR 93 1HD TYR 93 2.679 3.950 6.470 720 HD2 TYR 93 2HD TYR 93 5.177 1.195 8.677 721 HE1 TYR 93 1HE TYR 93 3.836 5.841 7.548 722 HE2 TYR 93 2HE TYR 93 6.331 3.052 9.719 723 HH TYR 93 HH TYR 93 6.454 5.312 9.960 724 H TYR 94 H TYR 94 -0.369 0.400 5.180 725 HA TYR 94 HA TYR 94 -0.743 -2.057 6.762 726 1HB TYR 94 1HB TYR 94 -2.090 -0.812 4.346 727 2HB TYR 94 2HB TYR 94 -2.587 -2.283 5.091 728 HD1 TYR 94 1HD TYR 94 -3.563 -2.391 7.362 729 HD2 TYR 94 2HD TYR 94 -2.609 1.368 5.453 730 HE1 TYR 94 1HE TYR 94 -5.192 -1.259 8.797 731 HE2 TYR 94 2HE TYR 94 -4.322 2.498 6.827 732 HH TYR 94 HH TYR 94 -6.494 0.639 8.987 733 H LEU 95 H LEU 95 -1.147 -4.060 5.567 734 HA LEU 95 HA LEU 95 1.146 -4.550 3.733 735 1HB LEU 95 1HB LEU 95 1.353 -4.977 6.238 736 2HB LEU 95 2HB LEU 95 0.259 -6.339 5.991 737 HG LEU 95 HG LEU 95 3.043 -5.855 4.915 738 1HD1 LEU 95 1HD1 LEU 95 2.872 -6.728 7.213 739 2HD1 LEU 95 2HD1 LEU 95 1.849 -8.065 6.641 740 3HD1 LEU 95 3HD1 LEU 95 3.539 -7.962 6.133 741 1HD2 LEU 95 1HD2 LEU 95 2.047 -6.940 3.042 742 2HD2 LEU 95 2HD2 LEU 95 2.911 -8.162 3.939 743 3HD2 LEU 95 3HD2 LEU 95 1.141 -8.086 4.093 744 H ILE 96 H ILE 96 0.668 -5.815 2.066 745 HA ILE 96 HA ILE 96 -2.058 -7.065 1.880 746 HB ILE 96 HB ILE 96 -0.662 -5.233 -0.124 747 1HG1 ILE 96 1HG1 ILE 96 -2.782 -3.971 -0.105 748 2HG1 ILE 96 2HG1 ILE 96 -3.453 -5.032 1.122 749 1HG2 ILE 96 1HG2 ILE 96 -1.650 -7.121 -1.361 750 2HG2 ILE 96 2HG2 ILE 96 -3.184 -6.839 -0.503 751 3HG2 ILE 96 3HG2 ILE 96 -2.551 -5.649 -1.649 752 1HD1 ILE 96 1HD1 ILE 96 -0.988 -3.364 1.691 753 2HD1 ILE 96 2HD1 ILE 96 -2.621 -2.657 1.728 754 3HD1 ILE 96 3HD1 ILE 96 -2.242 -3.970 2.815 755 H ARG 97 H ARG 97 -2.037 -9.084 1.214 756 HA ARG 97 HA ARG 97 -0.058 -9.947 -0.839 757 1HB ARG 97 1HB ARG 97 0.200 -10.837 1.725 758 2HB ARG 97 2HB ARG 97 -0.897 -12.049 1.139 759 1HG ARG 97 1HG ARG 97 0.861 -12.372 -0.818 760 2HG ARG 97 2HG ARG 97 1.892 -11.368 0.173 761 1HD ARG 97 1HD ARG 97 1.469 -13.059 2.070 762 2HD ARG 97 2HD ARG 97 0.735 -14.100 0.851 763 HE ARG 97 HE ARG 97 3.197 -13.313 -0.189 764 1HH1 ARG 97 2HH2 ARG 97 2.167 -15.055 2.736 765 2HH1 ARG 97 1HH2 ARG 97 3.751 -15.671 3.110 766 1HH2 ARG 97 2HH1 ARG 97 5.167 -14.525 0.045 767 2HH2 ARG 97 1HH1 ARG 97 5.498 -15.316 1.543 768 H TYR 98 H TYR 98 -0.670 -12.380 -1.407 769 HA TYR 98 HA TYR 98 -3.476 -12.684 -1.873 770 1HB TYR 98 1HB TYR 98 -2.473 -14.208 -3.820 771 2HB TYR 98 2HB TYR 98 -2.939 -12.529 -4.065 772 HD1 TYR 98 1HD TYR 98 0.105 -14.376 -2.805 773 HD2 TYR 98 2HD TYR 98 -1.482 -11.322 -5.404 774 HE1 TYR 98 1HE TYR 98 2.399 -13.852 -3.562 775 HE2 TYR 98 2HE TYR 98 0.769 -10.821 -6.179 776 HH TYR 98 HH TYR 98 3.458 -12.848 -5.574 777 H ALA 99 H ALA 99 -3.985 -15.017 -1.921 778 HA ALA 99 HA ALA 99 -3.023 -16.286 0.425 779 1HB ALA 99 1HB ALA 99 -5.366 -16.392 -0.341 780 2HB ALA 99 2HB ALA 99 -4.876 -17.325 -1.772 781 3HB ALA 99 3HB ALA 99 -4.678 -18.009 -0.151 Start of MODEL 3 1 1H ALA 1 1H ALA 1 26.609 -10.661 -2.779 2 2H ALA 1 2H ALA 1 25.676 -10.114 -1.515 3 3H ALA 1 3H ALA 1 24.978 -10.920 -2.749 4 HA ALA 1 HA ALA 1 26.313 -8.333 -3.019 5 1HB ALA 1 1HB ALA 1 26.349 -9.770 -5.049 6 2HB ALA 1 2HB ALA 1 24.576 -9.915 -4.970 7 3HB ALA 1 3HB ALA 1 25.338 -8.337 -5.270 8 H LEU 2 H LEU 2 23.777 -7.530 -4.507 9 HA LEU 2 HA LEU 2 21.596 -7.871 -2.643 10 1HB LEU 2 1HB LEU 2 22.763 -5.718 -1.915 11 2HB LEU 2 2HB LEU 2 22.538 -5.108 -3.553 12 HG LEU 2 HG LEU 2 20.032 -5.376 -3.223 13 1HD1 LEU 2 1HD1 LEU 2 19.954 -6.978 -1.377 14 2HD1 LEU 2 2HD1 LEU 2 20.908 -5.899 -0.343 15 3HD1 LEU 2 3HD1 LEU 2 19.260 -5.458 -0.807 16 1HD2 LEU 2 1HD2 LEU 2 21.511 -3.507 -1.344 17 2HD2 LEU 2 2HD2 LEU 2 21.087 -3.209 -3.049 18 3HD2 LEU 2 3HD2 LEU 2 19.810 -3.344 -1.834 19 H PHE 3 H PHE 3 19.627 -7.831 -3.945 20 HA PHE 3 HA PHE 3 19.918 -8.418 -6.664 21 1HB PHE 3 1HB PHE 3 18.000 -9.122 -5.404 22 2HB PHE 3 2HB PHE 3 17.479 -7.464 -5.147 23 HD1 PHE 3 1HD PHE 3 18.283 -9.869 -7.926 24 HD2 PHE 3 2HD PHE 3 15.818 -6.582 -6.589 25 HE1 PHE 3 1HE PHE 3 16.964 -10.003 -10.018 26 HE2 PHE 3 2HE PHE 3 14.500 -6.742 -8.695 27 HZ PHE 3 HZ PHE 3 15.088 -8.422 -10.410 28 H SER 4 H SER 4 19.403 -5.278 -5.157 29 HA SER 4 HA SER 4 19.493 -3.173 -5.795 30 1HB SER 4 1HB SER 4 21.439 -4.371 -7.782 31 2HB SER 4 2HB SER 4 21.283 -2.638 -7.448 32 HG SER 4 HG SER 4 22.538 -2.976 -5.861 33 H GLY 5 H GLY 5 17.783 -5.102 -7.922 34 1HA GLY 5 1HA GLY 5 17.108 -2.948 -9.814 35 2HA GLY 5 2HA GLY 5 16.396 -4.567 -9.720 36 H ASP 6 H ASP 6 14.603 -4.886 -8.480 37 HA ASP 6 HA ASP 6 13.214 -2.585 -7.315 38 1HB ASP 6 1HB ASP 6 12.599 -5.561 -7.439 39 2HB ASP 6 2HB ASP 6 11.560 -4.428 -6.588 40 H ILE 7 H ILE 7 12.215 -3.025 -5.197 41 HA ILE 7 HA ILE 7 13.568 -2.390 -3.071 42 HB ILE 7 HB ILE 7 11.577 -3.227 -1.822 43 1HG1 ILE 7 1HG1 ILE 7 9.661 -4.155 -2.977 44 2HG1 ILE 7 2HG1 ILE 7 10.453 -4.076 -4.533 45 1HG2 ILE 7 1HG2 ILE 7 10.070 -1.710 -2.827 46 2HG2 ILE 7 2HG2 ILE 7 11.701 -1.044 -2.897 47 3HG2 ILE 7 3HG2 ILE 7 10.957 -1.727 -4.361 48 1HD1 ILE 7 1HD1 ILE 7 11.974 -5.936 -3.846 49 2HD1 ILE 7 2HD1 ILE 7 11.051 -6.058 -2.310 50 3HD1 ILE 7 3HD1 ILE 7 10.300 -6.404 -3.838 51 H ALA 8 H ALA 8 15.376 -3.924 -3.449 52 HA ALA 8 HA ALA 8 15.333 -6.600 -2.662 53 1HB ALA 8 1HB ALA 8 17.771 -4.767 -2.644 54 2HB ALA 8 2HB ALA 8 17.797 -6.544 -2.783 55 3HB ALA 8 3HB ALA 8 17.110 -5.550 -4.090 56 H ASN 9 H ASN 9 15.523 -3.890 -0.698 57 HA ASN 9 HA ASN 9 16.539 -5.164 1.694 58 1HB ASN 9 1HB ASN 9 15.177 -2.472 1.190 59 2HB ASN 9 2HB ASN 9 15.951 -2.989 2.668 60 1HD2 ASN 9 1HD2 ASN 9 16.501 -0.996 0.079 61 2HD2 ASN 9 2HD2 ASN 9 18.225 -1.182 -0.039 62 H LEU 10 H LEU 10 13.503 -4.612 0.045 63 HA LEU 10 HA LEU 10 11.845 -5.094 2.480 64 1HB LEU 10 1HB LEU 10 11.196 -4.717 -0.437 65 2HB LEU 10 2HB LEU 10 10.042 -5.026 0.788 66 HG LEU 10 HG LEU 10 10.234 -2.715 -0.006 67 1HD1 LEU 10 1HD1 LEU 10 9.820 -1.711 2.244 68 2HD1 LEU 10 2HD1 LEU 10 8.997 -3.257 1.993 69 3HD1 LEU 10 3HD1 LEU 10 10.465 -3.194 2.986 70 1HD2 LEU 10 1HD2 LEU 10 12.646 -2.396 1.795 71 2HD2 LEU 10 2HD2 LEU 10 12.697 -2.400 0.014 72 3HD2 LEU 10 3HD2 LEU 10 11.813 -1.135 0.872 73 H THR 11 H THR 11 12.871 -7.319 2.899 74 HA THR 11 HA THR 11 12.158 -9.407 0.997 75 HB THR 11 HB THR 11 12.861 -10.154 3.760 76 HG1 THR 11 1HG THR 11 14.542 -8.443 2.283 77 1HG2 THR 11 1HG2 THR 11 12.896 -11.664 1.767 78 2HG2 THR 11 2HG2 THR 11 14.236 -10.725 1.107 79 3HG2 THR 11 3HG2 THR 11 14.439 -11.613 2.635 80 H ALA 12 H ALA 12 10.855 -11.151 1.964 81 HA ALA 12 HA ALA 12 8.183 -10.332 2.677 82 1HB ALA 12 1HB ALA 12 8.575 -12.457 1.484 83 2HB ALA 12 2HB ALA 12 9.563 -13.057 2.834 84 3HB ALA 12 3HB ALA 12 7.836 -12.809 3.070 85 H ALA 13 H ALA 13 10.544 -12.048 4.705 86 HA ALA 13 HA ALA 13 8.973 -11.718 7.093 87 1HB ALA 13 1HB ALA 13 11.992 -12.023 6.849 88 2HB ALA 13 2HB ALA 13 11.023 -12.362 8.287 89 3HB ALA 13 3HB ALA 13 10.825 -13.370 6.838 90 H GLU 14 H GLU 14 10.887 -9.474 5.297 91 HA GLU 14 HA GLU 14 11.504 -7.688 7.529 92 1HB GLU 14 1HB GLU 14 12.755 -8.208 5.135 93 2HB GLU 14 2HB GLU 14 11.715 -6.891 4.626 94 1HG GLU 14 1HG GLU 14 13.561 -5.702 5.357 95 2HG GLU 14 2HG GLU 14 12.620 -5.694 6.839 96 H ILE 15 H ILE 15 9.245 -7.907 4.741 97 HA ILE 15 HA ILE 15 7.855 -5.468 5.412 98 HB ILE 15 HB ILE 15 7.494 -7.854 3.529 99 1HG1 ILE 15 1HG1 ILE 15 7.661 -4.848 3.121 100 2HG1 ILE 15 2HG1 ILE 15 9.019 -5.943 2.973 101 1HG2 ILE 15 1HG2 ILE 15 5.412 -5.669 3.864 102 2HG2 ILE 15 2HG2 ILE 15 5.396 -7.027 2.729 103 3HG2 ILE 15 3HG2 ILE 15 5.240 -7.346 4.438 104 1HD1 ILE 15 1HD1 ILE 15 8.061 -7.010 1.022 105 2HD1 ILE 15 2HD1 ILE 15 6.534 -6.099 1.193 106 3HD1 ILE 15 3HD1 ILE 15 7.987 -5.248 0.778 107 H GLU 16 H GLU 16 7.153 -8.965 5.986 108 HA GLU 16 HA GLU 16 4.885 -8.562 7.569 109 1HB GLU 16 1HB GLU 16 7.167 -10.525 7.950 110 2HB GLU 16 2HB GLU 16 5.647 -10.628 8.836 111 1HG GLU 16 1HG GLU 16 5.611 -10.635 5.796 112 2HG GLU 16 2HG GLU 16 6.046 -12.092 6.684 113 H GLN 17 H GLN 17 8.325 -8.539 8.857 114 HA GLN 17 HA GLN 17 7.320 -7.939 11.523 115 1HB GLN 17 1HB GLN 17 9.472 -9.207 10.718 116 2HB GLN 17 2HB GLN 17 10.155 -7.587 10.562 117 1HG GLN 17 1HG GLN 17 10.823 -8.519 12.650 118 2HG GLN 17 2HG GLN 17 9.652 -7.246 13.005 119 1HE2 GLN 17 1HE2 GLN 17 9.467 -10.767 12.099 120 2HE2 GLN 17 2HE2 GLN 17 8.335 -11.180 13.348 121 H GLY 18 H GLY 18 8.300 -6.170 8.644 122 1HA GLY 18 1HA GLY 18 9.121 -3.766 9.823 123 2HA GLY 18 2HA GLY 18 8.542 -4.008 8.157 124 H PHE 19 H PHE 19 6.048 -5.130 8.620 125 HA PHE 19 HA PHE 19 4.630 -2.666 9.530 126 1HB PHE 19 1HB PHE 19 4.067 -4.562 7.248 127 2HB PHE 19 2HB PHE 19 3.201 -3.074 7.607 128 HD1 PHE 19 1HD PHE 19 5.697 -4.370 5.559 129 HD2 PHE 19 2HD PHE 19 5.048 -1.015 8.136 130 HE1 PHE 19 1HE PHE 19 7.700 -3.234 4.599 131 HE2 PHE 19 2HE PHE 19 6.958 0.177 7.075 132 HZ PHE 19 HZ PHE 19 8.288 -0.956 5.309 133 H LYS 20 H LYS 20 5.027 -5.580 10.730 134 HA LYS 20 HA LYS 20 2.659 -6.677 11.334 135 1HB LYS 20 1HB LYS 20 5.266 -7.146 12.004 136 2HB LYS 20 2HB LYS 20 4.761 -6.504 13.520 137 1HG LYS 20 1HG LYS 20 2.890 -8.288 13.498 138 2HG LYS 20 2HG LYS 20 3.601 -8.897 12.001 139 1HD LYS 20 1HD LYS 20 4.428 -10.281 13.770 140 2HD LYS 20 2HD LYS 20 5.765 -9.228 13.275 141 1HE LYS 20 1HE LYS 20 4.936 -7.632 15.163 142 2HE LYS 20 2HE LYS 20 3.953 -8.984 15.730 143 1HZ LYS 20 1HZ LYS 20 6.028 -10.223 16.057 144 2HZ LYS 20 2HZ LYS 20 6.895 -8.990 15.429 145 3HZ LYS 20 3HZ LYS 20 6.090 -8.769 16.839 146 H ASP 21 H ASP 21 3.166 -3.603 12.252 147 HA ASP 21 HA ASP 21 1.596 -3.512 14.782 148 1HB ASP 21 1HB ASP 21 3.221 -1.814 14.735 149 2HB ASP 21 2HB ASP 21 2.984 -1.492 13.018 150 H VAL 22 H VAL 22 1.074 -3.228 11.249 151 HA VAL 22 HA VAL 22 -1.696 -2.305 11.752 152 HB VAL 22 HB VAL 22 -0.886 -2.142 8.994 153 1HG1 VAL 22 1HG1 VAL 22 -1.740 0.070 9.138 154 2HG1 VAL 22 2HG1 VAL 22 -2.700 -0.796 10.330 155 3HG1 VAL 22 3HG1 VAL 22 -1.373 0.191 10.888 156 1HG2 VAL 22 1HG2 VAL 22 0.695 -0.206 9.186 157 2HG2 VAL 22 2HG2 VAL 22 0.937 -0.581 10.890 158 3HG2 VAL 22 3HG2 VAL 22 1.424 -1.745 9.635 159 HA PRO 23 HA PRO 23 -2.795 -6.300 10.306 160 1HB PRO 23 1HB PRO 23 -5.090 -6.107 8.882 161 2HB PRO 23 2HB PRO 23 -5.019 -5.766 10.636 162 1HG PRO 23 1HG PRO 23 -4.920 -3.813 8.346 163 2HG PRO 23 2HG PRO 23 -5.907 -3.729 9.831 164 1HD PRO 23 1HD PRO 23 -3.487 -2.448 9.456 165 2HD PRO 23 2HD PRO 23 -4.078 -2.924 11.086 166 H SER 24 H SER 24 -3.362 -7.488 8.281 167 HA SER 24 HA SER 24 -2.009 -6.391 5.898 168 1HB SER 24 1HB SER 24 -1.116 -8.692 5.432 169 2HB SER 24 2HB SER 24 -0.421 -7.944 6.877 170 HG SER 24 HG SER 24 -0.891 -10.039 7.291 171 H PHE 25 H PHE 25 -2.781 -7.706 3.891 172 HA PHE 25 HA PHE 25 -5.386 -9.043 4.297 173 1HB PHE 25 1HB PHE 25 -5.846 -6.790 3.632 174 2HB PHE 25 2HB PHE 25 -4.653 -6.875 2.322 175 HD1 PHE 25 1HD PHE 25 -5.337 -7.467 0.139 176 HD2 PHE 25 2HD PHE 25 -7.891 -8.390 3.496 177 HE1 PHE 25 1HE PHE 25 -7.126 -8.172 -1.406 178 HE2 PHE 25 2HE PHE 25 -9.658 -9.139 1.938 179 HZ PHE 25 HZ PHE 25 -9.280 -9.049 -0.521 180 H VAL 26 H VAL 26 -5.781 -10.556 2.688 181 HA VAL 26 HA VAL 26 -3.617 -11.249 0.881 182 HB VAL 26 HB VAL 26 -3.378 -12.444 3.056 183 1HG1 VAL 26 1HG1 VAL 26 -5.784 -12.809 3.514 184 2HG1 VAL 26 2HG1 VAL 26 -5.833 -13.998 2.194 185 3HG1 VAL 26 3HG1 VAL 26 -4.815 -14.295 3.616 186 1HG2 VAL 26 1HG2 VAL 26 -3.899 -14.146 0.592 187 2HG2 VAL 26 2HG2 VAL 26 -2.366 -13.332 1.023 188 3HG2 VAL 26 3HG2 VAL 26 -2.989 -14.666 2.019 189 H HIS 27 H HIS 27 -4.595 -11.566 -1.171 190 HA HIS 27 HA HIS 27 -7.288 -12.841 -1.055 191 1HB HIS 27 1HB HIS 27 -7.733 -11.777 -3.249 192 2HB HIS 27 2HB HIS 27 -7.708 -10.718 -1.843 193 HD1 HIS 27 1HD HIS 27 -7.551 -8.968 -4.010 194 HD2 HIS 27 2HD HIS 27 -4.164 -11.184 -2.943 195 HE1 HIS 27 1HE HIS 27 -5.513 -7.617 -4.774 196 H GLU 28 H GLU 28 -7.701 -14.328 -2.462 197 HA GLU 28 HA GLU 28 -5.587 -16.162 -3.031 198 1HB GLU 28 1HB GLU 28 -8.601 -16.262 -3.337 199 2HB GLU 28 2HB GLU 28 -7.569 -17.610 -3.813 200 1HG GLU 28 1HG GLU 28 -8.440 -17.952 -1.566 201 2HG GLU 28 2HG GLU 28 -6.685 -17.889 -1.606 202 H GLY 29 H GLY 29 -4.898 -14.177 -4.540 203 1HA GLY 29 1HA GLY 29 -3.596 -14.169 -6.465 204 2HA GLY 29 2HA GLY 29 -4.476 -15.584 -7.056 205 H GLY 30 H GLY 30 -3.761 -13.695 -8.894 206 1HA GLY 30 1HA GLY 30 -4.878 -12.872 -10.763 207 2HA GLY 30 2HA GLY 30 -6.316 -12.517 -9.777 208 H ASP 31 H ASP 31 -4.617 -10.720 -11.425 209 HA ASP 31 HA ASP 31 -3.645 -8.803 -9.466 210 1HB ASP 31 1HB ASP 31 -3.186 -7.280 -11.156 211 2HB ASP 31 2HB ASP 31 -2.625 -8.854 -11.726 212 H VAL 32 H VAL 32 -4.566 -6.582 -9.246 213 HA VAL 32 HA VAL 32 -7.448 -6.469 -9.363 214 HB VAL 32 HB VAL 32 -5.969 -7.145 -6.851 215 1HG1 VAL 32 1HG1 VAL 32 -8.938 -6.487 -6.998 216 2HG1 VAL 32 2HG1 VAL 32 -8.069 -6.995 -5.547 217 3HG1 VAL 32 3HG1 VAL 32 -7.683 -5.444 -6.280 218 1HG2 VAL 32 1HG2 VAL 32 -6.521 -9.247 -7.866 219 2HG2 VAL 32 2HG2 VAL 32 -7.614 -9.041 -6.525 220 3HG2 VAL 32 3HG2 VAL 32 -8.191 -8.729 -8.174 221 HA PRO 33 HA PRO 33 -5.749 -2.485 -9.045 222 1HB PRO 33 1HB PRO 33 -7.943 -0.891 -9.006 223 2HB PRO 33 2HB PRO 33 -7.530 -1.899 -10.424 224 1HG PRO 33 1HG PRO 33 -9.437 -2.567 -8.201 225 2HG PRO 33 2HG PRO 33 -9.761 -2.645 -9.965 226 1HD PRO 33 1HD PRO 33 -8.997 -4.841 -8.495 227 2HD PRO 33 2HD PRO 33 -8.415 -4.618 -10.174 228 H LEU 34 H LEU 34 -5.039 -1.070 -7.625 229 HA LEU 34 HA LEU 34 -5.112 -1.424 -4.917 230 1HB LEU 34 1HB LEU 34 -3.883 0.379 -4.622 231 2HB LEU 34 2HB LEU 34 -3.449 -0.289 -6.178 232 HG LEU 34 HG LEU 34 -4.834 2.257 -5.495 233 1HD1 LEU 34 1HD1 LEU 34 -2.382 2.225 -5.601 234 2HD1 LEU 34 2HD1 LEU 34 -2.454 1.608 -7.261 235 3HD1 LEU 34 3HD1 LEU 34 -3.029 3.240 -6.889 236 1HD2 LEU 34 1HD2 LEU 34 -4.725 1.048 -8.292 237 2HD2 LEU 34 2HD2 LEU 34 -6.203 1.482 -7.403 238 3HD2 LEU 34 3HD2 LEU 34 -5.115 2.744 -7.961 239 H VAL 35 H VAL 35 -7.632 0.117 -6.711 240 HA VAL 35 HA VAL 35 -8.859 1.333 -4.338 241 HB VAL 35 HB VAL 35 -9.018 2.342 -6.698 242 1HG1 VAL 35 1HG1 VAL 35 -11.056 0.158 -7.246 243 2HG1 VAL 35 2HG1 VAL 35 -10.554 1.480 -8.319 244 3HG1 VAL 35 3HG1 VAL 35 -9.417 0.201 -7.909 245 1HG2 VAL 35 1HG2 VAL 35 -10.646 3.015 -4.908 246 2HG2 VAL 35 2HG2 VAL 35 -11.236 3.178 -6.575 247 3HG2 VAL 35 3HG2 VAL 35 -11.773 1.820 -5.577 248 H GLU 36 H GLU 36 -8.969 -1.824 -5.610 249 HA GLU 36 HA GLU 36 -11.370 -2.280 -3.904 250 1HB GLU 36 1HB GLU 36 -9.989 -4.137 -5.897 251 2HB GLU 36 2HB GLU 36 -11.407 -4.526 -4.919 252 1HG GLU 36 1HG GLU 36 -11.212 -2.472 -7.153 253 2HG GLU 36 2HG GLU 36 -12.133 -3.963 -7.172 254 H LEU 37 H LEU 37 -7.804 -3.022 -4.236 255 HA LEU 37 HA LEU 37 -8.186 -5.056 -2.136 256 1HB LEU 37 1HB LEU 37 -5.891 -5.571 -2.375 257 2HB LEU 37 2HB LEU 37 -6.724 -5.640 -3.912 258 HG LEU 37 HG LEU 37 -5.650 -3.470 -4.579 259 1HD1 LEU 37 1HD1 LEU 37 -4.971 -2.338 -2.589 260 2HD1 LEU 37 2HD1 LEU 37 -4.201 -3.796 -1.921 261 3HD1 LEU 37 3HD1 LEU 37 -3.483 -2.921 -3.290 262 1HD2 LEU 37 1HD2 LEU 37 -3.354 -4.586 -4.793 263 2HD2 LEU 37 2HD2 LEU 37 -3.967 -5.893 -3.775 264 3HD2 LEU 37 3HD2 LEU 37 -4.721 -5.539 -5.350 265 H LEU 38 H LEU 38 -7.414 -1.530 -2.296 266 HA LEU 38 HA LEU 38 -6.215 -1.883 0.226 267 1HB LEU 38 1HB LEU 38 -5.323 0.091 0.085 268 2HB LEU 38 2HB LEU 38 -5.653 -0.047 -1.608 269 HG LEU 38 HG LEU 38 -7.416 1.417 0.407 270 1HD1 LEU 38 1HD1 LEU 38 -5.389 2.524 -1.571 271 2HD1 LEU 38 2HD1 LEU 38 -6.396 3.481 -0.459 272 3HD1 LEU 38 3HD1 LEU 38 -5.134 2.401 0.165 273 1HD2 LEU 38 1HD2 LEU 38 -8.619 0.782 -1.731 274 2HD2 LEU 38 2HD2 LEU 38 -8.504 2.522 -1.387 275 3HD2 LEU 38 3HD2 LEU 38 -7.429 1.776 -2.573 276 H VAL 39 H VAL 39 -9.358 -1.377 -1.066 277 HA VAL 39 HA VAL 39 -10.589 -0.180 1.314 278 HB VAL 39 HB VAL 39 -11.163 -0.889 -1.464 279 1HG1 VAL 39 1HG1 VAL 39 -13.680 -0.713 -1.211 280 2HG1 VAL 39 2HG1 VAL 39 -13.024 -2.193 -0.530 281 3HG1 VAL 39 3HG1 VAL 39 -13.474 -0.856 0.543 282 1HG2 VAL 39 1HG2 VAL 39 -12.408 1.397 -0.056 283 2HG2 VAL 39 2HG2 VAL 39 -10.690 1.378 -0.530 284 3HG2 VAL 39 3HG2 VAL 39 -11.947 1.187 -1.752 285 H SER 40 H SER 40 -10.449 -3.428 -0.362 286 HA SER 40 HA SER 40 -11.790 -4.955 1.569 287 1HB SER 40 1HB SER 40 -9.911 -5.229 -0.778 288 2HB SER 40 2HB SER 40 -9.991 -6.556 0.295 289 HG SER 40 HG SER 40 -12.020 -6.940 -0.186 290 H ALA 41 H ALA 41 -8.286 -3.970 1.147 291 HA ALA 41 HA ALA 41 -7.607 -5.550 3.463 292 1HB ALA 41 1HB ALA 41 -5.995 -5.102 1.695 293 2HB ALA 41 2HB ALA 41 -6.091 -3.378 1.969 294 3HB ALA 41 3HB ALA 41 -5.387 -4.428 3.222 295 H GLY 42 H GLY 42 -8.759 -2.216 3.081 296 1HA GLY 42 1HA GLY 42 -10.145 -1.423 4.808 297 2HA GLY 42 2HA GLY 42 -9.288 -2.435 5.989 298 H ILE 43 H ILE 43 -7.787 -0.483 3.534 299 HA ILE 43 HA ILE 43 -6.301 1.182 5.413 300 HB ILE 43 HB ILE 43 -6.620 0.997 2.401 301 1HG1 ILE 43 1HG1 ILE 43 -4.425 0.226 2.143 302 2HG1 ILE 43 2HG1 ILE 43 -3.969 0.575 3.786 303 1HG2 ILE 43 1HG2 ILE 43 -4.902 2.942 4.027 304 2HG2 ILE 43 2HG2 ILE 43 -4.631 2.656 2.304 305 3HG2 ILE 43 3HG2 ILE 43 -6.158 3.362 2.845 306 1HD1 ILE 43 1HD1 ILE 43 -5.965 -1.536 2.970 307 2HD1 ILE 43 2HD1 ILE 43 -4.245 -1.847 3.263 308 3HD1 ILE 43 3HD1 ILE 43 -5.293 -1.316 4.594 309 H SER 44 H SER 44 -8.984 1.542 2.852 310 HA SER 44 HA SER 44 -10.245 3.523 4.596 311 1HB SER 44 1HB SER 44 -8.544 4.399 2.309 312 2HB SER 44 2HB SER 44 -10.186 5.054 2.318 313 HG SER 44 HG SER 44 -8.187 5.937 3.727 314 HA PRO 45 HA PRO 45 -12.797 0.798 1.994 315 1HB PRO 45 1HB PRO 45 -14.922 0.388 3.633 316 2HB PRO 45 2HB PRO 45 -13.318 -0.365 3.916 317 1HG PRO 45 1HG PRO 45 -14.446 2.149 5.189 318 2HG PRO 45 2HG PRO 45 -13.677 0.750 6.000 319 1HD PRO 45 1HD PRO 45 -12.304 3.037 5.364 320 2HD PRO 45 2HD PRO 45 -11.520 1.425 5.301 321 H SER 46 H SER 46 -13.480 3.977 3.058 322 HA SER 46 HA SER 46 -16.253 4.147 2.076 323 1HB SER 46 1HB SER 46 -15.660 5.381 4.056 324 2HB SER 46 2HB SER 46 -14.328 6.145 3.185 325 HG SER 46 HG SER 46 -16.505 7.266 3.427 326 H LYS 47 H LYS 47 -16.303 3.987 -0.192 327 HA LYS 47 HA LYS 47 -14.041 4.056 -1.654 328 1HB LYS 47 1HB LYS 47 -16.717 3.492 -2.222 329 2HB LYS 47 2HB LYS 47 -16.320 4.760 -3.378 330 1HG LYS 47 1HG LYS 47 -15.843 2.678 -4.437 331 2HG LYS 47 2HG LYS 47 -14.277 3.400 -4.049 332 1HD LYS 47 1HD LYS 47 -14.161 1.924 -2.007 333 2HD LYS 47 2HD LYS 47 -15.682 1.172 -2.469 334 1HE LYS 47 1HE LYS 47 -13.227 1.224 -4.291 335 2HE LYS 47 2HE LYS 47 -13.483 -0.042 -3.110 336 1HZ LYS 47 1HZ LYS 47 -15.441 -0.738 -4.210 337 2HZ LYS 47 2HZ LYS 47 -15.372 0.516 -5.313 338 3HZ LYS 47 3HZ LYS 47 -14.242 -0.650 -5.273 339 H ARG 48 H ARG 48 -15.802 7.046 -1.014 340 HA ARG 48 HA ARG 48 -14.263 8.624 -2.943 341 1HB ARG 48 1HB ARG 48 -16.282 9.591 -2.116 342 2HB ARG 48 2HB ARG 48 -15.845 9.333 -0.432 343 1HG ARG 48 1HG ARG 48 -14.013 11.109 -2.050 344 2HG ARG 48 2HG ARG 48 -15.625 11.729 -1.689 345 1HD ARG 48 1HD ARG 48 -15.338 11.553 0.666 346 2HD ARG 48 2HD ARG 48 -13.875 10.601 0.532 347 HE ARG 48 HE ARG 48 -14.132 13.467 0.417 348 1HH1 ARG 48 2HH2 ARG 48 -11.893 10.864 -0.780 349 2HH1 ARG 48 1HH2 ARG 48 -10.532 11.738 -0.105 350 1HH2 ARG 48 2HH1 ARG 48 -12.094 14.519 1.103 351 2HH2 ARG 48 1HH1 ARG 48 -10.619 13.632 0.791 352 H GLN 49 H GLN 49 -13.852 7.711 0.509 353 HA GLN 49 HA GLN 49 -11.548 9.349 0.856 354 1HB GLN 49 1HB GLN 49 -12.968 8.103 2.719 355 2HB GLN 49 2HB GLN 49 -11.920 6.734 2.379 356 1HG GLN 49 1HG GLN 49 -11.132 8.271 4.282 357 2HG GLN 49 2HG GLN 49 -9.949 7.885 3.034 358 1HE2 GLN 49 1HE2 GLN 49 -8.833 9.570 2.086 359 2HE2 GLN 49 2HE2 GLN 49 -9.441 11.225 1.988 360 H ALA 50 H ALA 50 -12.084 5.939 0.246 361 HA ALA 50 HA ALA 50 -9.631 4.978 -0.167 362 1HB ALA 50 1HB ALA 50 -10.579 3.331 -1.678 363 2HB ALA 50 2HB ALA 50 -11.864 3.750 -0.513 364 3HB ALA 50 3HB ALA 50 -11.888 4.387 -2.155 365 H ARG 51 H ARG 51 -11.635 6.470 -2.792 366 HA ARG 51 HA ARG 51 -9.617 6.345 -4.693 367 1HB ARG 51 1HB ARG 51 -12.178 6.863 -4.989 368 2HB ARG 51 2HB ARG 51 -11.696 8.550 -4.766 369 1HG ARG 51 1HG ARG 51 -11.686 8.201 -7.121 370 2HG ARG 51 2HG ARG 51 -9.988 8.128 -6.648 371 1HD ARG 51 1HD ARG 51 -10.318 5.547 -6.522 372 2HD ARG 51 2HD ARG 51 -11.873 5.834 -7.316 373 HE ARG 51 HE ARG 51 -9.528 7.014 -8.632 374 1HH1 ARG 51 2HH2 ARG 51 -11.757 4.232 -8.587 375 2HH1 ARG 51 1HH2 ARG 51 -11.177 3.543 -10.048 376 1HH2 ARG 51 2HH1 ARG 51 -8.626 6.004 -10.521 377 2HH2 ARG 51 1HH1 ARG 51 -9.448 4.657 -11.238 378 H GLU 52 H GLU 52 -10.102 8.887 -2.247 379 HA GLU 52 HA GLU 52 -7.819 10.366 -3.486 380 1HB GLU 52 1HB GLU 52 -9.358 11.721 -2.075 381 2HB GLU 52 2HB GLU 52 -9.191 10.537 -0.774 382 1HG GLU 52 1HG GLU 52 -6.636 11.275 -0.761 383 2HG GLU 52 2HG GLU 52 -7.188 12.677 -1.605 384 H ASP 53 H ASP 53 -8.202 8.070 -0.802 385 HA ASP 53 HA ASP 53 -5.581 8.411 0.141 386 1HB ASP 53 1HB ASP 53 -7.913 6.520 0.499 387 2HB ASP 53 2HB ASP 53 -6.359 5.891 0.855 388 H ILE 54 H ILE 54 -6.765 7.001 -2.553 389 HA ILE 54 HA ILE 54 -4.338 5.544 -3.164 390 HB ILE 54 HB ILE 54 -6.879 6.064 -4.760 391 1HG1 ILE 54 1HG1 ILE 54 -5.912 3.342 -3.814 392 2HG1 ILE 54 2HG1 ILE 54 -6.898 4.360 -2.786 393 1HG2 ILE 54 1HG2 ILE 54 -5.985 4.369 -6.428 394 2HG2 ILE 54 2HG2 ILE 54 -5.121 5.900 -6.414 395 3HG2 ILE 54 3HG2 ILE 54 -4.415 4.506 -5.589 396 1HD1 ILE 54 1HD1 ILE 54 -8.403 4.570 -5.023 397 2HD1 ILE 54 2HD1 ILE 54 -7.587 3.027 -5.315 398 3HD1 ILE 54 3HD1 ILE 54 -8.584 3.290 -3.838 399 H GLN 55 H GLN 55 -6.314 8.196 -4.741 400 HA GLN 55 HA GLN 55 -4.159 8.656 -6.512 401 1HB GLN 55 1HB GLN 55 -6.789 10.066 -6.023 402 2HB GLN 55 2HB GLN 55 -5.622 10.582 -7.240 403 1HG GLN 55 1HG GLN 55 -5.622 8.292 -8.241 404 2HG GLN 55 2HG GLN 55 -6.855 7.797 -7.080 405 1HE2 GLN 55 1HE2 GLN 55 -6.357 10.590 -9.358 406 2HE2 GLN 55 2HE2 GLN 55 -7.977 10.464 -10.035 407 H ASN 56 H ASN 56 -4.285 9.582 -3.352 408 HA ASN 56 HA ASN 56 -2.615 11.951 -3.820 409 1HB ASN 56 1HB ASN 56 -3.468 10.307 -1.351 410 2HB ASN 56 2HB ASN 56 -2.103 11.402 -1.234 411 1HD2 ASN 56 1HD2 ASN 56 -4.667 12.616 -3.232 412 2HD2 ASN 56 2HD2 ASN 56 -5.263 13.746 -2.024 413 H GLY 57 H GLY 57 -0.553 11.956 -4.174 414 1HA GLY 57 1HA GLY 57 1.064 9.633 -4.200 415 2HA GLY 57 2HA GLY 57 1.636 11.311 -4.173 416 H ALA 58 H ALA 58 -0.377 10.485 -1.548 417 HA ALA 58 HA ALA 58 1.849 10.380 0.376 418 1HB ALA 58 1HB ALA 58 -1.145 10.627 0.812 419 2HB ALA 58 2HB ALA 58 0.112 10.698 2.067 420 3HB ALA 58 3HB ALA 58 0.009 11.986 0.850 421 H ILE 59 H ILE 59 -0.309 8.160 -1.477 422 HA ILE 59 HA ILE 59 0.367 5.980 0.410 423 HB ILE 59 HB ILE 59 -1.796 6.239 -0.125 424 1HG1 ILE 59 1HG1 ILE 59 -0.993 4.082 0.346 425 2HG1 ILE 59 2HG1 ILE 59 -2.367 4.045 -0.767 426 1HG2 ILE 59 1HG2 ILE 59 -2.349 5.495 -2.665 427 2HG2 ILE 59 2HG2 ILE 59 -2.255 7.159 -2.126 428 3HG2 ILE 59 3HG2 ILE 59 -0.880 6.410 -2.981 429 1HD1 ILE 59 1HD1 ILE 59 -0.882 2.504 -1.688 430 2HD1 ILE 59 2HD1 ILE 59 -0.564 3.926 -2.669 431 3HD1 ILE 59 3HD1 ILE 59 0.542 3.516 -1.338 432 H TYR 60 H TYR 60 2.397 6.102 0.412 433 HA TYR 60 HA TYR 60 4.095 5.580 -1.858 434 1HB TYR 60 1HB TYR 60 4.649 5.431 1.116 435 2HB TYR 60 2HB TYR 60 5.838 5.502 -0.167 436 HD1 TYR 60 1HD TYR 60 6.161 7.604 -1.440 437 HD2 TYR 60 2HD TYR 60 3.487 7.447 1.916 438 HE1 TYR 60 1HE TYR 60 6.139 10.074 -1.350 439 HE2 TYR 60 2HE TYR 60 3.510 9.883 2.086 440 HH TYR 60 HH TYR 60 4.339 11.854 1.202 441 H VAL 61 H VAL 61 3.799 3.654 -2.828 442 HA VAL 61 HA VAL 61 3.047 1.286 -1.204 443 HB VAL 61 HB VAL 61 3.369 1.453 -4.241 444 1HG1 VAL 61 1HG1 VAL 61 3.662 -0.819 -3.108 445 2HG1 VAL 61 2HG1 VAL 61 2.018 -0.632 -2.475 446 3HG1 VAL 61 3HG1 VAL 61 2.278 -0.722 -4.217 447 1HG2 VAL 61 1HG2 VAL 61 1.073 1.672 -2.332 448 2HG2 VAL 61 2HG2 VAL 61 1.437 2.763 -3.681 449 3HG2 VAL 61 3HG2 VAL 61 0.775 1.123 -3.951 450 H ASN 62 H ASN 62 4.615 -0.075 -0.588 451 HA ASN 62 HA ASN 62 6.736 -0.908 -0.237 452 1HB ASN 62 1HB ASN 62 6.620 -0.664 -3.181 453 2HB ASN 62 2HB ASN 62 8.216 -0.757 -2.485 454 1HD2 ASN 62 1HD2 ASN 62 5.058 -2.330 -2.748 455 2HD2 ASN 62 2HD2 ASN 62 5.698 -3.909 -2.336 456 H GLY 63 H GLY 63 6.199 2.259 -0.329 457 1HA GLY 63 1HA GLY 63 7.545 3.885 0.800 458 2HA GLY 63 2HA GLY 63 9.004 3.053 0.276 459 H GLU 64 H GLU 64 6.702 3.209 -2.353 460 HA GLU 64 HA GLU 64 8.135 5.522 -3.505 461 1HB GLU 64 1HB GLU 64 8.365 2.877 -4.243 462 2HB GLU 64 2HB GLU 64 6.967 3.342 -5.179 463 1HG GLU 64 1HG GLU 64 8.593 3.851 -6.688 464 2HG GLU 64 2HG GLU 64 8.504 5.416 -5.878 465 H ARG 65 H ARG 65 6.681 7.164 -3.796 466 HA ARG 65 HA ARG 65 3.916 7.130 -3.355 467 1HB ARG 65 1HB ARG 65 5.111 9.153 -3.247 468 2HB ARG 65 2HB ARG 65 5.918 8.914 -4.779 469 1HG ARG 65 1HG ARG 65 2.952 9.175 -4.963 470 2HG ARG 65 2HG ARG 65 3.787 10.574 -4.296 471 1HD ARG 65 1HD ARG 65 5.412 10.356 -6.338 472 2HD ARG 65 2HD ARG 65 4.161 9.323 -7.040 473 HE ARG 65 HE ARG 65 3.324 11.938 -6.007 474 1HH1 ARG 65 2HH2 ARG 65 4.459 10.282 -8.927 475 2HH1 ARG 65 1HH2 ARG 65 3.545 11.215 -10.032 476 1HH2 ARG 65 2HH1 ARG 65 2.368 13.331 -7.338 477 2HH2 ARG 65 1HH1 ARG 65 2.315 13.134 -9.081 478 H LEU 66 H LEU 66 2.499 5.719 -4.453 479 HA LEU 66 HA LEU 66 2.653 5.699 -7.414 480 1HB LEU 66 1HB LEU 66 2.892 3.417 -5.533 481 2HB LEU 66 2HB LEU 66 2.331 3.252 -7.211 482 HG LEU 66 HG LEU 66 5.022 4.475 -6.591 483 1HD1 LEU 66 1HD1 LEU 66 4.235 1.606 -7.124 484 2HD1 LEU 66 2HD1 LEU 66 5.905 2.255 -7.088 485 3HD1 LEU 66 3HD1 LEU 66 4.919 2.287 -5.614 486 1HD2 LEU 66 1HD2 LEU 66 4.026 4.802 -8.924 487 2HD2 LEU 66 2HD2 LEU 66 5.543 3.889 -8.871 488 3HD2 LEU 66 3HD2 LEU 66 4.015 3.034 -9.089 489 H GLN 67 H GLN 67 0.808 7.030 -7.296 490 HA GLN 67 HA GLN 67 -1.598 6.177 -5.800 491 1HB GLN 67 1HB GLN 67 -2.036 8.579 -5.680 492 2HB GLN 67 2HB GLN 67 -0.406 8.289 -5.172 493 1HG GLN 67 1HG GLN 67 -1.616 9.704 -7.525 494 2HG GLN 67 2HG GLN 67 -0.535 10.312 -6.303 495 1HE2 GLN 67 1HE2 GLN 67 -0.660 8.937 -9.501 496 2HE2 GLN 67 2HE2 GLN 67 1.083 8.762 -9.691 497 H ASP 68 H ASP 68 -1.279 4.870 -8.361 498 HA ASP 68 HA ASP 68 -3.888 5.712 -9.398 499 1HB ASP 68 1HB ASP 68 -1.942 6.915 -10.585 500 2HB ASP 68 2HB ASP 68 -1.514 5.348 -11.252 501 H VAL 69 H VAL 69 -4.768 4.112 -10.917 502 HA VAL 69 HA VAL 69 -4.158 1.262 -10.426 503 HB VAL 69 HB VAL 69 -6.404 2.377 -10.872 504 1HG1 VAL 69 1HG1 VAL 69 -7.138 2.702 -13.169 505 2HG1 VAL 69 2HG1 VAL 69 -5.869 3.848 -12.747 506 3HG1 VAL 69 3HG1 VAL 69 -5.503 2.442 -13.772 507 1HG2 VAL 69 1HG2 VAL 69 -6.075 -0.050 -10.972 508 2HG2 VAL 69 2HG2 VAL 69 -7.302 0.506 -12.127 509 3HG2 VAL 69 3HG2 VAL 69 -5.675 0.076 -12.700 510 H GLY 70 H GLY 70 -3.287 3.775 -12.687 511 1HA GLY 70 1HA GLY 70 -1.742 2.057 -14.453 512 2HA GLY 70 2HA GLY 70 -1.580 3.816 -14.294 513 H ALA 71 H ALA 71 -1.264 2.928 -11.261 514 HA ALA 71 HA ALA 71 1.674 2.679 -11.424 515 1HB ALA 71 1HB ALA 71 0.080 3.560 -9.008 516 2HB ALA 71 2HB ALA 71 1.829 3.573 -9.261 517 3HB ALA 71 3HB ALA 71 0.807 4.651 -10.207 518 H ILE 72 H ILE 72 -1.041 1.260 -9.261 519 HA ILE 72 HA ILE 72 0.431 -1.273 -9.543 520 HB ILE 72 HB ILE 72 -0.838 -0.500 -6.990 521 1HG1 ILE 72 1HG1 ILE 72 1.807 -0.063 -6.467 522 2HG1 ILE 72 2HG1 ILE 72 1.742 0.644 -8.023 523 1HG2 ILE 72 1HG2 ILE 72 -0.079 -2.863 -7.301 524 2HG2 ILE 72 2HG2 ILE 72 1.557 -2.291 -7.664 525 3HG2 ILE 72 3HG2 ILE 72 0.846 -2.069 -6.049 526 1HD1 ILE 72 1HD1 ILE 72 1.202 2.091 -5.916 527 2HD1 ILE 72 2HD1 ILE 72 0.074 2.278 -7.255 528 3HD1 ILE 72 3HD1 ILE 72 -0.326 1.296 -5.834 529 H LEU 73 H LEU 73 -0.776 -3.193 -9.566 530 HA LEU 73 HA LEU 73 -3.634 -3.115 -9.015 531 1HB LEU 73 1HB LEU 73 -2.168 -4.962 -10.875 532 2HB LEU 73 2HB LEU 73 -3.861 -5.065 -10.413 533 HG LEU 73 HG LEU 73 -2.661 -2.619 -11.778 534 1HD1 LEU 73 1HD1 LEU 73 -3.523 -3.295 -13.854 535 2HD1 LEU 73 2HD1 LEU 73 -2.716 -4.743 -13.243 536 3HD1 LEU 73 3HD1 LEU 73 -4.475 -4.611 -13.139 537 1HD2 LEU 73 1HD2 LEU 73 -4.568 -1.894 -10.678 538 2HD2 LEU 73 2HD2 LEU 73 -5.021 -2.105 -12.365 539 3HD2 LEU 73 3HD2 LEU 73 -5.517 -3.339 -11.190 540 H THR 74 H THR 74 -1.418 -5.972 -9.076 541 HA THR 74 HA THR 74 -1.766 -6.154 -6.175 542 HB THR 74 HB THR 74 -1.147 -8.630 -6.901 543 HG1 THR 74 1HG THR 74 -1.789 -9.019 -9.010 544 1HG2 THR 74 1HG2 THR 74 -3.566 -8.941 -7.195 545 2HG2 THR 74 2HG2 THR 74 -3.246 -7.764 -5.942 546 3HG2 THR 74 3HG2 THR 74 -3.744 -7.195 -7.526 547 H ALA 75 H ALA 75 -0.078 -8.033 -5.358 548 HA ALA 75 HA ALA 75 2.316 -6.720 -4.840 549 1HB ALA 75 1HB ALA 75 1.655 -9.709 -4.764 550 2HB ALA 75 2HB ALA 75 3.084 -8.986 -4.012 551 3HB ALA 75 3HB ALA 75 1.462 -8.550 -3.426 552 H GLU 76 H GLU 76 1.788 -9.220 -7.408 553 HA GLU 76 HA GLU 76 4.555 -9.070 -8.238 554 1HB GLU 76 1HB GLU 76 3.840 -10.272 -10.259 555 2HB GLU 76 2HB GLU 76 3.437 -11.057 -8.765 556 1HG GLU 76 1HG GLU 76 1.060 -9.981 -9.058 557 2HG GLU 76 2HG GLU 76 1.573 -9.669 -10.719 558 H HIS 77 H HIS 77 1.934 -6.966 -8.560 559 HA HIS 77 HA HIS 77 2.912 -5.670 -11.033 560 1HB HIS 77 1HB HIS 77 0.478 -6.153 -10.463 561 2HB HIS 77 2HB HIS 77 0.625 -4.866 -9.278 562 HD1 HIS 77 1HD HIS 77 1.853 -2.528 -10.484 563 HD2 HIS 77 2HD HIS 77 -0.601 -5.160 -12.594 564 HE1 HIS 77 1HE HIS 77 0.357 -1.068 -11.862 565 H ARG 78 H ARG 78 3.803 -5.803 -7.744 566 HA ARG 78 HA ARG 78 4.903 -3.049 -8.061 567 1HB ARG 78 1HB ARG 78 3.287 -3.757 -5.950 568 2HB ARG 78 2HB ARG 78 4.857 -4.140 -5.305 569 1HG ARG 78 1HG ARG 78 3.628 -1.514 -5.940 570 2HG ARG 78 2HG ARG 78 4.635 -2.005 -4.593 571 1HD ARG 78 1HD ARG 78 5.556 -1.167 -7.351 572 2HD ARG 78 2HD ARG 78 5.722 -0.261 -5.850 573 HE ARG 78 HE ARG 78 7.045 -2.480 -5.175 574 1HH1 ARG 78 2HH2 ARG 78 7.345 -0.457 -8.143 575 2HH1 ARG 78 1HH2 ARG 78 8.898 -1.072 -8.525 576 1HH2 ARG 78 2HH1 ARG 78 9.134 -3.281 -5.752 577 2HH2 ARG 78 1HH1 ARG 78 9.872 -2.686 -7.210 578 H LEU 79 H LEU 79 5.780 -6.048 -6.061 579 HA LEU 79 HA LEU 79 8.487 -5.787 -7.127 580 1HB LEU 79 1HB LEU 79 8.725 -7.490 -5.166 581 2HB LEU 79 2HB LEU 79 8.622 -5.753 -4.901 582 HG LEU 79 HG LEU 79 6.042 -7.156 -4.581 583 1HD1 LEU 79 1HD1 LEU 79 7.570 -8.837 -3.595 584 2HD1 LEU 79 2HD1 LEU 79 8.498 -7.580 -2.762 585 3HD1 LEU 79 3HD1 LEU 79 6.858 -7.899 -2.241 586 1HD2 LEU 79 1HD2 LEU 79 6.550 -4.743 -4.047 587 2HD2 LEU 79 2HD2 LEU 79 6.050 -5.659 -2.606 588 3HD2 LEU 79 3HD2 LEU 79 7.740 -5.285 -2.846 589 H GLU 80 H GLU 80 9.290 -8.269 -6.914 590 HA GLU 80 HA GLU 80 8.458 -9.836 -9.035 591 1HB GLU 80 1HB GLU 80 9.925 -11.495 -7.986 592 2HB GLU 80 2HB GLU 80 10.601 -9.884 -7.830 593 1HG GLU 80 1HG GLU 80 9.393 -9.883 -5.453 594 2HG GLU 80 2HG GLU 80 9.303 -11.620 -5.714 595 H GLY 81 H GLY 81 6.350 -9.296 -6.547 596 1HA GLY 81 1HA GLY 81 4.315 -10.357 -6.161 597 2HA GLY 81 2HA GLY 81 4.881 -11.734 -7.104 598 H ARG 82 H ARG 82 6.079 -10.103 -4.178 599 HA ARG 82 HA ARG 82 5.823 -12.712 -2.701 600 1HB ARG 82 1HB ARG 82 7.828 -10.491 -2.209 601 2HB ARG 82 2HB ARG 82 7.488 -11.766 -1.053 602 1HG ARG 82 1HG ARG 82 8.281 -12.426 -3.906 603 2HG ARG 82 2HG ARG 82 9.494 -12.094 -2.662 604 1HD ARG 82 1HD ARG 82 8.781 -13.940 -1.320 605 2HD ARG 82 2HD ARG 82 7.321 -14.188 -2.286 606 HE ARG 82 HE ARG 82 9.463 -14.478 -4.075 607 1HH1 ARG 82 2HH2 ARG 82 8.664 -16.058 -0.993 608 2HH1 ARG 82 1HH2 ARG 82 9.057 -17.635 -1.561 609 1HH2 ARG 82 2HH1 ARG 82 9.830 -16.649 -4.873 610 2HH2 ARG 82 1HH1 ARG 82 9.558 -17.975 -3.779 611 H PHE 83 H PHE 83 5.737 -9.180 -2.000 612 HA PHE 83 HA PHE 83 3.107 -9.445 -0.730 613 1HB PHE 83 1HB PHE 83 5.656 -8.618 0.743 614 2HB PHE 83 2HB PHE 83 4.061 -8.123 1.255 615 HD1 PHE 83 1HD PHE 83 6.185 -11.175 0.791 616 HD2 PHE 83 2HD PHE 83 2.647 -9.490 2.609 617 HE1 PHE 83 1HE PHE 83 5.874 -13.218 2.163 618 HE2 PHE 83 2HE PHE 83 2.513 -11.415 4.135 619 HZ PHE 83 HZ PHE 83 4.099 -13.301 3.884 620 H THR 84 H THR 84 2.787 -6.832 0.143 621 HA THR 84 HA THR 84 4.535 -5.000 -1.253 622 HB THR 84 HB THR 84 1.801 -5.630 -2.269 623 HG1 THR 84 1HG THR 84 3.774 -5.980 -3.293 624 1HG2 THR 84 1HG2 THR 84 1.265 -3.369 -1.503 625 2HG2 THR 84 2HG2 THR 84 2.809 -2.771 -2.145 626 3HG2 THR 84 3HG2 THR 84 1.540 -3.349 -3.253 627 H VAL 85 H VAL 85 4.593 -2.997 -0.155 628 HA VAL 85 HA VAL 85 3.137 -2.817 2.424 629 HB VAL 85 HB VAL 85 5.283 -0.944 1.358 630 1HG1 VAL 85 1HG1 VAL 85 4.123 -0.130 3.347 631 2HG1 VAL 85 2HG1 VAL 85 4.454 -1.653 4.193 632 3HG1 VAL 85 3HG1 VAL 85 5.780 -0.557 3.743 633 1HG2 VAL 85 1HG2 VAL 85 6.991 -2.229 2.588 634 2HG2 VAL 85 2HG2 VAL 85 5.795 -3.522 2.854 635 3HG2 VAL 85 3HG2 VAL 85 6.358 -3.124 1.214 636 H ILE 86 H ILE 86 1.812 -0.973 2.855 637 HA ILE 86 HA ILE 86 1.311 1.019 0.690 638 HB ILE 86 HB ILE 86 -0.535 -0.469 2.580 639 1HG1 ILE 86 1HG1 ILE 86 -0.011 -1.652 0.401 640 2HG1 ILE 86 2HG1 ILE 86 -1.726 -1.289 0.608 641 1HG2 ILE 86 1HG2 ILE 86 -2.408 0.914 1.358 642 2HG2 ILE 86 2HG2 ILE 86 -1.478 1.741 2.603 643 3HG2 ILE 86 3HG2 ILE 86 -1.085 1.997 0.900 644 1HD1 ILE 86 1HD1 ILE 86 -0.776 -0.778 -1.719 645 2HD1 ILE 86 2HD1 ILE 86 -1.624 0.569 -0.937 646 3HD1 ILE 86 3HD1 ILE 86 0.140 0.516 -0.945 647 H ARG 87 H ARG 87 2.410 2.795 1.577 648 HA ARG 87 HA ARG 87 1.876 3.351 4.480 649 1HB ARG 87 1HB ARG 87 4.193 3.241 4.211 650 2HB ARG 87 2HB ARG 87 4.179 4.016 2.647 651 1HG ARG 87 1HG ARG 87 3.687 6.204 3.665 652 2HG ARG 87 2HG ARG 87 3.561 5.482 5.248 653 1HD ARG 87 1HD ARG 87 6.044 5.501 3.470 654 2HD ARG 87 2HD ARG 87 5.747 6.625 4.800 655 HE ARG 87 HE ARG 87 5.522 4.231 6.055 656 1HH1 ARG 87 2HH2 ARG 87 8.118 5.776 4.147 657 2HH1 ARG 87 1HH2 ARG 87 9.349 4.730 4.713 658 1HH2 ARG 87 2HH1 ARG 87 7.230 2.947 6.989 659 2HH2 ARG 87 1HH1 ARG 87 8.852 3.224 6.465 660 H ARG 88 H ARG 88 -0.212 4.172 4.246 661 HA ARG 88 HA ARG 88 -0.597 6.468 2.382 662 1HB ARG 88 1HB ARG 88 -2.508 5.015 2.423 663 2HB ARG 88 2HB ARG 88 -2.506 4.941 4.181 664 1HG ARG 88 1HG ARG 88 -4.342 6.278 3.414 665 2HG ARG 88 2HG ARG 88 -3.254 7.273 4.342 666 1HD ARG 88 1HD ARG 88 -2.586 7.476 1.508 667 2HD ARG 88 2HD ARG 88 -4.308 7.693 1.719 668 HE ARG 88 HE ARG 88 -2.271 9.282 3.223 669 1HH1 ARG 88 2HH2 ARG 88 -5.498 9.498 1.615 670 2HH1 ARG 88 1HH2 ARG 88 -5.307 11.168 1.251 671 1HH2 ARG 88 2HH1 ARG 88 -2.236 11.479 2.981 672 2HH2 ARG 88 1HH1 ARG 88 -3.412 12.276 1.940 673 H GLY 89 H GLY 89 0.835 7.957 3.274 674 1HA GLY 89 1HA GLY 89 1.142 8.685 6.015 675 2HA GLY 89 2HA GLY 89 1.367 9.750 4.612 676 H LYS 90 H LYS 90 -0.460 9.252 7.323 677 HA LYS 90 HA LYS 90 -2.363 10.889 7.781 678 1HB LYS 90 1HB LYS 90 -3.383 10.955 5.567 679 2HB LYS 90 2HB LYS 90 -3.566 9.191 5.557 680 1HG LYS 90 1HG LYS 90 -5.128 9.447 7.558 681 2HG LYS 90 2HG LYS 90 -5.033 11.194 7.328 682 1HD LYS 90 1HD LYS 90 -5.998 9.148 5.273 683 2HD LYS 90 2HD LYS 90 -7.046 10.103 6.327 684 1HE LYS 90 1HE LYS 90 -6.269 12.196 5.297 685 2HE LYS 90 2HE LYS 90 -5.117 11.295 4.293 686 1HZ LYS 90 1HZ LYS 90 -8.061 11.082 4.114 687 2HZ LYS 90 2HZ LYS 90 -7.049 11.722 2.992 688 3HZ LYS 90 3HZ LYS 90 -7.019 10.135 3.296 689 H LYS 91 H LYS 91 -2.175 7.409 6.919 690 HA LYS 91 HA LYS 91 -3.151 6.734 9.661 691 1HB LYS 91 1HB LYS 91 -4.817 6.185 7.930 692 2HB LYS 91 2HB LYS 91 -3.658 5.111 7.150 693 1HG LYS 91 1HG LYS 91 -4.055 3.470 8.661 694 2HG LYS 91 2HG LYS 91 -3.759 4.508 10.015 695 1HD LYS 91 1HD LYS 91 -6.398 4.582 8.521 696 2HD LYS 91 2HD LYS 91 -6.075 3.398 9.789 697 1HE LYS 91 1HE LYS 91 -5.901 6.400 10.241 698 2HE LYS 91 2HE LYS 91 -7.341 5.411 10.553 699 1HZ LYS 91 1HZ LYS 91 -6.165 5.619 12.562 700 2HZ LYS 91 2HZ LYS 91 -5.949 4.073 12.084 701 3HZ LYS 91 3HZ LYS 91 -4.730 5.174 11.916 702 H LYS 92 H LYS 92 -1.877 4.123 7.687 703 HA LYS 92 HA LYS 92 0.804 4.519 8.740 704 1HB LYS 92 1HB LYS 92 -0.912 3.437 10.502 705 2HB LYS 92 2HB LYS 92 -0.648 2.000 9.550 706 1HG LYS 92 1HG LYS 92 0.941 1.832 11.283 707 2HG LYS 92 2HG LYS 92 1.910 2.440 9.949 708 1HD LYS 92 1HD LYS 92 2.574 3.781 11.764 709 2HD LYS 92 2HD LYS 92 1.443 4.805 10.886 710 1HE LYS 92 1HE LYS 92 0.777 5.059 13.112 711 2HE LYS 92 2HE LYS 92 -0.382 3.872 12.496 712 1HZ LYS 92 1HZ LYS 92 0.507 3.155 14.627 713 2HZ LYS 92 2HZ LYS 92 1.132 2.138 13.513 714 3HZ LYS 92 3HZ LYS 92 2.037 3.368 14.123 715 H TYR 93 H TYR 93 1.194 1.634 8.493 716 HA TYR 93 HA TYR 93 1.826 1.639 5.623 717 1HB TYR 93 1HB TYR 93 3.395 0.323 7.755 718 2HB TYR 93 2HB TYR 93 3.854 0.678 6.090 719 HD1 TYR 93 1HD TYR 93 2.758 3.776 6.553 720 HD2 TYR 93 2HD TYR 93 5.519 1.164 8.610 721 HE1 TYR 93 1HE TYR 93 3.849 5.724 7.582 722 HE2 TYR 93 2HE TYR 93 6.688 3.101 9.519 723 HH TYR 93 HH TYR 93 6.939 5.498 9.226 724 H TYR 94 H TYR 94 -0.187 0.337 5.131 725 HA TYR 94 HA TYR 94 -0.674 -2.135 6.674 726 1HB TYR 94 1HB TYR 94 -1.901 -0.793 4.228 727 2HB TYR 94 2HB TYR 94 -2.432 -2.307 4.872 728 HD1 TYR 94 1HD TYR 94 -3.716 -2.501 6.878 729 HD2 TYR 94 2HD TYR 94 -2.310 1.328 5.475 730 HE1 TYR 94 1HE TYR 94 -5.413 -1.378 8.273 731 HE2 TYR 94 2HE TYR 94 -4.078 2.457 6.790 732 HH TYR 94 HH TYR 94 -6.476 0.609 8.678 733 H LEU 95 H LEU 95 -1.071 -4.090 5.368 734 HA LEU 95 HA LEU 95 1.187 -4.495 3.496 735 1HB LEU 95 1HB LEU 95 1.830 -5.217 5.637 736 2HB LEU 95 2HB LEU 95 0.302 -6.060 5.914 737 HG LEU 95 HG LEU 95 0.884 -7.810 4.351 738 1HD1 LEU 95 1HD1 LEU 95 3.087 -5.904 3.538 739 2HD1 LEU 95 2HD1 LEU 95 3.310 -7.655 3.382 740 3HD1 LEU 95 3HD1 LEU 95 2.011 -6.887 2.515 741 1HD2 LEU 95 1HD2 LEU 95 1.867 -7.949 6.635 742 2HD2 LEU 95 2HD2 LEU 95 2.915 -8.697 5.433 743 3HD2 LEU 95 3HD2 LEU 95 3.308 -7.087 6.072 744 H ILE 96 H ILE 96 0.725 -5.604 1.730 745 HA ILE 96 HA ILE 96 -1.996 -6.799 1.386 746 HB ILE 96 HB ILE 96 -0.323 -5.198 -0.603 747 1HG1 ILE 96 1HG1 ILE 96 -1.293 -3.662 1.031 748 2HG1 ILE 96 2HG1 ILE 96 -2.028 -3.455 -0.546 749 1HG2 ILE 96 1HG2 ILE 96 -1.563 -6.889 -1.810 750 2HG2 ILE 96 2HG2 ILE 96 -3.068 -6.454 -0.984 751 3HG2 ILE 96 3HG2 ILE 96 -2.288 -5.313 -2.107 752 1HD1 ILE 96 1HD1 ILE 96 -3.272 -4.886 1.831 753 2HD1 ILE 96 2HD1 ILE 96 -3.692 -3.288 1.197 754 3HD1 ILE 96 3HD1 ILE 96 -4.028 -4.733 0.230 755 H ARG 97 H ARG 97 -1.927 -8.905 0.755 756 HA ARG 97 HA ARG 97 0.231 -9.737 -1.079 757 1HB ARG 97 1HB ARG 97 0.534 -10.416 1.508 758 2HB ARG 97 2HB ARG 97 -0.569 -11.690 1.085 759 1HG ARG 97 1HG ARG 97 1.273 -11.970 -0.926 760 2HG ARG 97 2HG ARG 97 2.258 -11.118 0.248 761 1HD ARG 97 1HD ARG 97 1.885 -12.853 1.922 762 2HD ARG 97 2HD ARG 97 0.693 -13.618 0.880 763 HE ARG 97 HE ARG 97 3.225 -13.366 -0.453 764 1HH1 ARG 97 2HH2 ARG 97 1.501 -15.320 1.986 765 2HH1 ARG 97 1HH2 ARG 97 2.435 -16.755 1.709 766 1HH2 ARG 97 2HH1 ARG 97 4.086 -15.382 -1.151 767 2HH2 ARG 97 1HH1 ARG 97 3.596 -16.856 -0.399 768 H TYR 98 H TYR 98 -0.245 -12.220 -1.528 769 HA TYR 98 HA TYR 98 -3.020 -12.754 -1.721 770 1HB TYR 98 1HB TYR 98 -2.181 -14.037 -3.862 771 2HB TYR 98 2HB TYR 98 -2.784 -12.388 -3.956 772 HD1 TYR 98 1HD TYR 98 -1.854 -11.521 -5.845 773 HD2 TYR 98 2HD TYR 98 0.673 -13.753 -3.110 774 HE1 TYR 98 1HE TYR 98 0.048 -11.226 -7.351 775 HE2 TYR 98 2HE TYR 98 2.580 -13.442 -4.638 776 HH TYR 98 HH TYR 98 1.901 -12.520 -7.937 777 H ALA 99 H ALA 99 -3.440 -15.049 -1.922 778 HA ALA 99 HA ALA 99 -1.470 -16.748 -0.713 779 1HB ALA 99 1HB ALA 99 -3.589 -16.725 0.533 780 2HB ALA 99 2HB ALA 99 -4.489 -17.048 -0.966 781 3HB ALA 99 3HB ALA 99 -3.397 -18.275 -0.299 Start of MODEL 4 1 1H ALA 1 1H ALA 1 13.291 -15.712 5.501 2 2H ALA 1 2H ALA 1 14.784 -15.563 4.820 3 3H ALA 1 3H ALA 1 13.672 -14.378 4.596 4 HA ALA 1 HA ALA 1 13.535 -17.119 3.594 5 1HB ALA 1 1HB ALA 1 11.552 -14.838 3.203 6 2HB ALA 1 2HB ALA 1 11.482 -16.437 2.416 7 3HB ALA 1 3HB ALA 1 11.291 -16.309 4.166 8 H LEU 2 H LEU 2 12.553 -15.012 1.232 9 HA LEU 2 HA LEU 2 14.738 -15.406 -0.428 10 1HB LEU 2 1HB LEU 2 12.602 -13.235 -0.374 11 2HB LEU 2 2HB LEU 2 13.819 -13.297 -1.622 12 HG LEU 2 HG LEU 2 11.832 -14.266 -2.412 13 1HD1 LEU 2 1HD1 LEU 2 13.922 -15.260 -3.242 14 2HD1 LEU 2 2HD1 LEU 2 13.783 -16.554 -2.028 15 3HD1 LEU 2 3HD1 LEU 2 12.561 -16.382 -3.299 16 1HD2 LEU 2 1HD2 LEU 2 10.854 -15.028 -0.239 17 2HD2 LEU 2 2HD2 LEU 2 10.703 -16.177 -1.566 18 3HD2 LEU 2 3HD2 LEU 2 11.921 -16.459 -0.325 19 H PHE 3 H PHE 3 16.669 -14.598 -0.635 20 HA PHE 3 HA PHE 3 17.651 -12.624 1.296 21 1HB PHE 3 1HB PHE 3 18.629 -14.911 1.022 22 2HB PHE 3 2HB PHE 3 19.088 -14.506 -0.623 23 HD1 PHE 3 1HD PHE 3 19.616 -13.675 2.973 24 HD2 PHE 3 2HD PHE 3 21.113 -13.228 -1.048 25 HE1 PHE 3 1HE PHE 3 21.718 -12.701 3.859 26 HE2 PHE 3 2HE PHE 3 23.197 -12.267 -0.167 27 HZ PHE 3 HZ PHE 3 23.514 -11.992 2.303 28 H SER 4 H SER 4 17.387 -10.543 0.560 29 HA SER 4 HA SER 4 17.108 -8.786 -0.781 30 1HB SER 4 1HB SER 4 19.321 -10.005 -2.475 31 2HB SER 4 2HB SER 4 18.735 -8.333 -2.537 32 HG SER 4 HG SER 4 19.799 -9.504 -0.181 33 H GLY 5 H GLY 5 17.250 -8.798 -3.861 34 1HA GLY 5 1HA GLY 5 15.927 -10.317 -5.421 35 2HA GLY 5 2HA GLY 5 14.611 -10.107 -4.244 36 H ASP 6 H ASP 6 13.219 -8.807 -5.497 37 HA ASP 6 HA ASP 6 14.214 -6.420 -6.899 38 1HB ASP 6 1HB ASP 6 12.096 -7.640 -7.509 39 2HB ASP 6 2HB ASP 6 11.375 -7.048 -6.004 40 H ILE 7 H ILE 7 12.134 -6.970 -4.133 41 HA ILE 7 HA ILE 7 12.574 -4.254 -3.251 42 HB ILE 7 HB ILE 7 10.802 -4.788 -1.625 43 1HG1 ILE 7 1HG1 ILE 7 11.021 -7.156 -1.257 44 2HG1 ILE 7 2HG1 ILE 7 9.424 -6.731 -1.761 45 1HG2 ILE 7 1HG2 ILE 7 10.148 -5.306 -4.546 46 2HG2 ILE 7 2HG2 ILE 7 9.009 -4.798 -3.288 47 3HG2 ILE 7 3HG2 ILE 7 10.333 -3.739 -3.744 48 1HD1 ILE 7 1HD1 ILE 7 9.903 -8.822 -2.762 49 2HD1 ILE 7 2HD1 ILE 7 10.212 -7.703 -4.102 50 3HD1 ILE 7 3HD1 ILE 7 11.557 -8.370 -3.163 51 H ALA 8 H ALA 8 14.683 -5.352 -3.255 52 HA ALA 8 HA ALA 8 15.658 -6.932 -1.088 53 1HB ALA 8 1HB ALA 8 17.959 -6.180 -1.718 54 2HB ALA 8 2HB ALA 8 16.991 -6.645 -3.130 55 3HB ALA 8 3HB ALA 8 17.237 -4.930 -2.754 56 H ASN 9 H ASN 9 14.600 -3.766 -0.802 57 HA ASN 9 HA ASN 9 16.173 -3.063 1.591 58 1HB ASN 9 1HB ASN 9 13.976 -1.714 -0.058 59 2HB ASN 9 2HB ASN 9 14.535 -1.104 1.476 60 1HD2 ASN 9 1HD2 ASN 9 15.175 -1.311 -1.934 61 2HD2 ASN 9 2HD2 ASN 9 16.751 -0.568 -1.898 62 H LEU 10 H LEU 10 13.285 -4.633 0.446 63 HA LEU 10 HA LEU 10 12.043 -4.763 3.124 64 1HB LEU 10 1HB LEU 10 10.118 -3.666 2.636 65 2HB LEU 10 2HB LEU 10 11.473 -2.581 2.405 66 HG LEU 10 HG LEU 10 9.658 -3.680 0.208 67 1HD1 LEU 10 1HD1 LEU 10 8.950 -1.435 0.070 68 2HD1 LEU 10 2HD1 LEU 10 8.702 -2.007 1.729 69 3HD1 LEU 10 3HD1 LEU 10 10.062 -0.926 1.355 70 1HD2 LEU 10 1HD2 LEU 10 10.778 -2.199 -1.327 71 2HD2 LEU 10 2HD2 LEU 10 11.819 -1.544 -0.056 72 3HD2 LEU 10 3HD2 LEU 10 12.047 -3.209 -0.643 73 H THR 11 H THR 11 12.938 -7.004 2.398 74 HA THR 11 HA THR 11 11.436 -8.401 0.408 75 HB THR 11 HB THR 11 12.828 -10.242 1.984 76 HG1 THR 11 1HG THR 11 14.884 -9.210 2.294 77 1HG2 THR 11 1HG2 THR 11 13.886 -8.565 -0.355 78 2HG2 THR 11 2HG2 THR 11 14.507 -10.143 0.153 79 3HG2 THR 11 3HG2 THR 11 12.878 -10.021 -0.505 80 H ALA 12 H ALA 12 10.769 -10.729 1.394 81 HA ALA 12 HA ALA 12 8.174 -10.079 2.498 82 1HB ALA 12 1HB ALA 12 9.657 -12.713 2.084 83 2HB ALA 12 2HB ALA 12 7.973 -12.602 2.611 84 3HB ALA 12 3HB ALA 12 8.440 -11.983 1.008 85 H ALA 13 H ALA 13 10.940 -11.643 4.095 86 HA ALA 13 HA ALA 13 9.445 -11.778 6.631 87 1HB ALA 13 1HB ALA 13 12.448 -11.931 6.137 88 2HB ALA 13 2HB ALA 13 11.613 -12.327 7.649 89 3HB ALA 13 3HB ALA 13 11.334 -13.316 6.203 90 H GLU 14 H GLU 14 11.335 -9.367 4.873 91 HA GLU 14 HA GLU 14 11.986 -7.775 7.188 92 1HB GLU 14 1HB GLU 14 13.010 -8.070 4.631 93 2HB GLU 14 2HB GLU 14 11.874 -6.771 4.339 94 1HG GLU 14 1HG GLU 14 13.758 -5.555 4.729 95 2HG GLU 14 2HG GLU 14 13.088 -5.591 6.361 96 H ILE 15 H ILE 15 9.485 -7.875 4.665 97 HA ILE 15 HA ILE 15 8.231 -5.440 5.368 98 HB ILE 15 HB ILE 15 7.669 -7.815 3.563 99 1HG1 ILE 15 1HG1 ILE 15 7.671 -4.803 3.210 100 2HG1 ILE 15 2HG1 ILE 15 9.057 -5.827 2.979 101 1HG2 ILE 15 1HG2 ILE 15 5.469 -6.996 2.888 102 2HG2 ILE 15 2HG2 ILE 15 5.462 -7.532 4.544 103 3HG2 ILE 15 3HG2 ILE 15 5.486 -5.793 4.198 104 1HD1 ILE 15 1HD1 ILE 15 7.878 -7.038 1.129 105 2HD1 ILE 15 2HD1 ILE 15 6.474 -5.960 1.315 106 3HD1 ILE 15 3HD1 ILE 15 8.010 -5.294 0.799 107 H GLU 16 H GLU 16 7.452 -8.909 5.961 108 HA GLU 16 HA GLU 16 5.133 -8.309 7.465 109 1HB GLU 16 1HB GLU 16 6.368 -10.500 6.647 110 2HB GLU 16 2HB GLU 16 6.838 -10.560 8.358 111 1HG GLU 16 1HG GLU 16 3.955 -10.348 7.331 112 2HG GLU 16 2HG GLU 16 4.752 -11.891 7.577 113 H GLN 17 H GLN 17 8.603 -8.618 8.667 114 HA GLN 17 HA GLN 17 7.584 -8.118 11.393 115 1HB GLN 17 1HB GLN 17 10.409 -8.183 10.313 116 2HB GLN 17 2HB GLN 17 9.919 -8.221 12.007 117 1HG GLN 17 1HG GLN 17 9.299 -10.406 9.967 118 2HG GLN 17 2HG GLN 17 10.609 -10.449 11.128 119 1HE2 GLN 17 1HE2 GLN 17 8.517 -12.344 10.800 120 2HE2 GLN 17 2HE2 GLN 17 7.870 -12.561 12.403 121 H GLY 18 H GLY 18 8.817 -6.348 8.641 122 1HA GLY 18 1HA GLY 18 9.780 -3.994 9.868 123 2HA GLY 18 2HA GLY 18 9.260 -4.197 8.186 124 H PHE 19 H PHE 19 6.595 -5.163 8.642 125 HA PHE 19 HA PHE 19 5.470 -2.472 9.354 126 1HB PHE 19 1HB PHE 19 4.882 -4.293 7.014 127 2HB PHE 19 2HB PHE 19 4.125 -2.776 7.327 128 HD1 PHE 19 1HD PHE 19 6.480 -4.122 5.265 129 HD2 PHE 19 2HD PHE 19 6.240 -0.893 8.081 130 HE1 PHE 19 1HE PHE 19 8.427 -2.983 4.176 131 HE2 PHE 19 2HE PHE 19 8.031 0.301 6.894 132 HZ PHE 19 HZ PHE 19 9.142 -0.757 4.936 133 H LYS 20 H LYS 20 5.582 -5.327 10.633 134 HA LYS 20 HA LYS 20 3.021 -6.186 11.027 135 1HB LYS 20 1HB LYS 20 5.515 -6.921 11.972 136 2HB LYS 20 2HB LYS 20 4.831 -6.301 13.445 137 1HG LYS 20 1HG LYS 20 3.020 -7.867 13.417 138 2HG LYS 20 2HG LYS 20 3.246 -8.222 11.690 139 1HD LYS 20 1HD LYS 20 5.381 -9.298 12.124 140 2HD LYS 20 2HD LYS 20 5.212 -8.988 13.872 141 1HE LYS 20 1HE LYS 20 3.272 -10.407 14.022 142 2HE LYS 20 2HE LYS 20 3.060 -10.411 12.256 143 1HZ LYS 20 1HZ LYS 20 4.973 -11.670 11.988 144 2HZ LYS 20 2HZ LYS 20 5.344 -11.665 13.618 145 3HZ LYS 20 3HZ LYS 20 4.011 -12.457 13.088 146 H ASP 21 H ASP 21 3.957 -3.211 11.935 147 HA ASP 21 HA ASP 21 2.504 -2.929 14.464 148 1HB ASP 21 1HB ASP 21 4.426 -1.603 14.267 149 2HB ASP 21 2HB ASP 21 4.047 -1.118 12.623 150 H VAL 22 H VAL 22 1.538 -2.720 10.978 151 HA VAL 22 HA VAL 22 -1.140 -2.004 12.014 152 HB VAL 22 HB VAL 22 -0.930 -1.723 9.208 153 1HG1 VAL 22 1HG1 VAL 22 -1.552 0.596 9.591 154 2HG1 VAL 22 2HG1 VAL 22 -2.348 -0.348 10.855 155 3HG1 VAL 22 3HG1 VAL 22 -0.881 0.556 11.235 156 1HG2 VAL 22 1HG2 VAL 22 1.307 -0.138 10.477 157 2HG2 VAL 22 2HG2 VAL 22 1.474 -1.538 9.386 158 3HG2 VAL 22 3HG2 VAL 22 0.693 -0.064 8.810 159 HA PRO 23 HA PRO 23 -2.325 -5.966 10.732 160 1HB PRO 23 1HB PRO 23 -4.798 -5.841 9.626 161 2HB PRO 23 2HB PRO 23 -4.502 -5.287 11.303 162 1HG PRO 23 1HG PRO 23 -4.569 -3.610 8.774 163 2HG PRO 23 2HG PRO 23 -5.470 -3.356 10.302 164 1HD PRO 23 1HD PRO 23 -3.115 -2.101 9.745 165 2HD PRO 23 2HD PRO 23 -3.540 -2.580 11.419 166 H SER 24 H SER 24 -3.193 -7.345 8.906 167 HA SER 24 HA SER 24 -1.886 -6.625 6.355 168 1HB SER 24 1HB SER 24 -1.198 -9.168 6.429 169 2HB SER 24 2HB SER 24 -0.288 -7.959 7.339 170 HG SER 24 HG SER 24 -0.532 -9.246 8.885 171 H PHE 25 H PHE 25 -2.964 -7.677 4.337 172 HA PHE 25 HA PHE 25 -5.509 -9.049 4.953 173 1HB PHE 25 1HB PHE 25 -6.062 -6.764 4.529 174 2HB PHE 25 2HB PHE 25 -4.837 -6.630 3.271 175 HD1 PHE 25 1HD PHE 25 -8.139 -8.243 4.028 176 HD2 PHE 25 2HD PHE 25 -5.261 -7.122 1.002 177 HE1 PHE 25 1HE PHE 25 -9.699 -8.974 2.260 178 HE2 PHE 25 2HE PHE 25 -6.831 -7.843 -0.760 179 HZ PHE 25 HZ PHE 25 -9.029 -8.806 -0.134 180 H VAL 26 H VAL 26 -6.256 -10.249 3.016 181 HA VAL 26 HA VAL 26 -4.181 -10.919 1.104 182 HB VAL 26 HB VAL 26 -5.510 -12.944 2.947 183 1HG1 VAL 26 1HG1 VAL 26 -4.100 -14.576 1.558 184 2HG1 VAL 26 2HG1 VAL 26 -5.495 -13.894 0.710 185 3HG1 VAL 26 3HG1 VAL 26 -3.876 -13.229 0.422 186 1HG2 VAL 26 1HG2 VAL 26 -2.600 -12.191 2.405 187 2HG2 VAL 26 2HG2 VAL 26 -3.494 -11.920 3.908 188 3HG2 VAL 26 3HG2 VAL 26 -3.126 -13.571 3.403 189 H HIS 27 H HIS 27 -5.088 -11.043 -0.926 190 HA HIS 27 HA HIS 27 -7.950 -11.854 -1.078 191 1HB HIS 27 1HB HIS 27 -8.046 -10.718 -3.258 192 2HB HIS 27 2HB HIS 27 -7.927 -9.693 -1.846 193 HD1 HIS 27 1HD HIS 27 -7.303 -7.895 -3.703 194 HD2 HIS 27 2HD HIS 27 -4.511 -10.941 -2.975 195 HE1 HIS 27 1HE HIS 27 -5.043 -7.084 -4.641 196 H GLU 28 H GLU 28 -8.103 -12.659 -3.610 197 HA GLU 28 HA GLU 28 -6.880 -15.242 -3.155 198 1HB GLU 28 1HB GLU 28 -9.312 -14.749 -3.610 199 2HB GLU 28 2HB GLU 28 -8.901 -14.526 -5.309 200 1HG GLU 28 1HG GLU 28 -8.621 -16.786 -5.658 201 2HG GLU 28 2HG GLU 28 -7.854 -17.050 -4.093 202 H GLY 29 H GLY 29 -5.432 -12.941 -4.639 203 1HA GLY 29 1HA GLY 29 -3.753 -12.794 -6.304 204 2HA GLY 29 2HA GLY 29 -3.989 -14.508 -6.692 205 H GLY 30 H GLY 30 -3.705 -13.002 -8.870 206 1HA GLY 30 1HA GLY 30 -4.725 -12.439 -10.838 207 2HA GLY 30 2HA GLY 30 -6.339 -12.552 -10.096 208 H ASP 31 H ASP 31 -4.818 -10.305 -11.587 209 HA ASP 31 HA ASP 31 -3.915 -8.402 -9.740 210 1HB ASP 31 1HB ASP 31 -3.834 -6.818 -11.442 211 2HB ASP 31 2HB ASP 31 -3.344 -8.379 -12.112 212 H VAL 32 H VAL 32 -4.712 -6.293 -9.042 213 HA VAL 32 HA VAL 32 -7.609 -5.972 -8.928 214 HB VAL 32 HB VAL 32 -5.881 -6.878 -6.718 215 1HG1 VAL 32 1HG1 VAL 32 -7.661 -6.423 -5.027 216 2HG1 VAL 32 2HG1 VAL 32 -7.148 -4.926 -5.780 217 3HG1 VAL 32 3HG1 VAL 32 -8.668 -5.712 -6.281 218 1HG2 VAL 32 1HG2 VAL 32 -8.630 -7.862 -7.568 219 2HG2 VAL 32 2HG2 VAL 32 -7.096 -8.697 -7.795 220 3HG2 VAL 32 3HG2 VAL 32 -7.731 -8.501 -6.173 221 HA PRO 33 HA PRO 33 -5.703 -2.057 -8.888 222 1HB PRO 33 1HB PRO 33 -7.820 -0.388 -8.537 223 2HB PRO 33 2HB PRO 33 -7.606 -1.373 -10.017 224 1HG PRO 33 1HG PRO 33 -9.338 -1.982 -7.633 225 2HG PRO 33 2HG PRO 33 -9.765 -2.081 -9.364 226 1HD PRO 33 1HD PRO 33 -8.925 -4.303 -7.925 227 2HD PRO 33 2HD PRO 33 -8.539 -4.102 -9.649 228 H LEU 34 H LEU 34 -4.752 -0.568 -7.561 229 HA LEU 34 HA LEU 34 -4.485 -1.092 -4.962 230 1HB LEU 34 1HB LEU 34 -3.660 1.150 -4.600 231 2HB LEU 34 2HB LEU 34 -2.904 0.017 -5.699 232 HG LEU 34 HG LEU 34 -2.848 1.304 -7.318 233 1HD1 LEU 34 1HD1 LEU 34 -5.670 2.279 -6.933 234 2HD1 LEU 34 2HD1 LEU 34 -4.569 2.995 -8.118 235 3HD1 LEU 34 3HD1 LEU 34 -4.998 1.293 -8.224 236 1HD2 LEU 34 1HD2 LEU 34 -2.302 3.431 -7.016 237 2HD2 LEU 34 2HD2 LEU 34 -3.456 3.701 -5.727 238 3HD2 LEU 34 3HD2 LEU 34 -2.052 2.669 -5.444 239 H VAL 35 H VAL 35 -7.116 0.703 -6.366 240 HA VAL 35 HA VAL 35 -8.284 1.638 -3.874 241 HB VAL 35 HB VAL 35 -8.402 3.072 -5.752 242 1HG1 VAL 35 1HG1 VAL 35 -9.708 0.831 -7.326 243 2HG1 VAL 35 2HG1 VAL 35 -9.679 2.525 -7.839 244 3HG1 VAL 35 3HG1 VAL 35 -8.163 1.662 -7.664 245 1HG2 VAL 35 1HG2 VAL 35 -10.769 3.542 -6.013 246 2HG2 VAL 35 2HG2 VAL 35 -11.202 1.959 -5.385 247 3HG2 VAL 35 3HG2 VAL 35 -10.391 3.136 -4.326 248 H GLU 36 H GLU 36 -8.468 -1.442 -5.424 249 HA GLU 36 HA GLU 36 -10.914 -1.999 -3.812 250 1HB GLU 36 1HB GLU 36 -9.459 -3.496 -5.978 251 2HB GLU 36 2HB GLU 36 -10.465 -4.365 -4.832 252 1HG GLU 36 1HG GLU 36 -11.503 -2.001 -6.448 253 2HG GLU 36 2HG GLU 36 -11.624 -3.672 -6.985 254 H LEU 37 H LEU 37 -7.301 -2.569 -3.914 255 HA LEU 37 HA LEU 37 -7.626 -4.725 -1.944 256 1HB LEU 37 1HB LEU 37 -5.252 -4.984 -2.027 257 2HB LEU 37 2HB LEU 37 -5.898 -4.929 -3.658 258 HG LEU 37 HG LEU 37 -5.277 -2.356 -3.483 259 1HD1 LEU 37 1HD1 LEU 37 -3.037 -3.461 -1.769 260 2HD1 LEU 37 2HD1 LEU 37 -3.338 -1.792 -2.260 261 3HD1 LEU 37 3HD1 LEU 37 -4.383 -2.556 -1.058 262 1HD2 LEU 37 1HD2 LEU 37 -4.383 -3.890 -5.136 263 2HD2 LEU 37 2HD2 LEU 37 -3.064 -2.912 -4.493 264 3HD2 LEU 37 3HD2 LEU 37 -3.264 -4.589 -3.952 265 H LEU 38 H LEU 38 -7.139 -1.123 -1.921 266 HA LEU 38 HA LEU 38 -6.268 -1.418 0.705 267 1HB LEU 38 1HB LEU 38 -6.001 0.791 0.831 268 2HB LEU 38 2HB LEU 38 -6.121 0.718 -0.915 269 HG LEU 38 HG LEU 38 -8.518 1.291 0.934 270 1HD1 LEU 38 1HD1 LEU 38 -7.014 2.997 1.366 271 2HD1 LEU 38 2HD1 LEU 38 -6.709 3.239 -0.373 272 3HD1 LEU 38 3HD1 LEU 38 -8.288 3.591 0.301 273 1HD2 LEU 38 1HD2 LEU 38 -9.754 1.303 -0.905 274 2HD2 LEU 38 2HD2 LEU 38 -8.655 2.396 -1.734 275 3HD2 LEU 38 3HD2 LEU 38 -8.403 0.649 -1.827 276 H VAL 39 H VAL 39 -9.330 -1.298 -0.930 277 HA VAL 39 HA VAL 39 -10.970 -0.400 1.259 278 HB VAL 39 HB VAL 39 -11.035 -0.655 -1.504 279 1HG1 VAL 39 1HG1 VAL 39 -12.161 -2.822 -1.580 280 2HG1 VAL 39 2HG1 VAL 39 -13.431 -2.224 -0.483 281 3HG1 VAL 39 3HG1 VAL 39 -13.238 -1.548 -2.120 282 1HG2 VAL 39 1HG2 VAL 39 -11.951 1.183 -0.122 283 2HG2 VAL 39 2HG2 VAL 39 -12.941 0.737 -1.504 284 3HG2 VAL 39 3HG2 VAL 39 -13.421 0.208 0.124 285 H SER 40 H SER 40 -10.414 -3.431 -0.427 286 HA SER 40 HA SER 40 -11.739 -5.127 1.432 287 1HB SER 40 1HB SER 40 -10.413 -5.405 -1.102 288 2HB SER 40 2HB SER 40 -9.637 -6.495 0.028 289 HG SER 40 HG SER 40 -11.317 -7.685 -0.530 290 H ALA 41 H ALA 41 -8.275 -3.836 1.242 291 HA ALA 41 HA ALA 41 -7.704 -5.459 3.616 292 1HB ALA 41 1HB ALA 41 -5.574 -4.319 3.732 293 2HB ALA 41 2HB ALA 41 -5.889 -4.842 2.079 294 3HB ALA 41 3HB ALA 41 -6.093 -3.135 2.513 295 H GLY 42 H GLY 42 -9.122 -2.243 3.190 296 1HA GLY 42 1HA GLY 42 -10.884 -1.738 4.735 297 2HA GLY 42 2HA GLY 42 -9.999 -2.611 6.005 298 H ILE 43 H ILE 43 -8.240 -0.675 3.799 299 HA ILE 43 HA ILE 43 -7.099 0.879 5.915 300 HB ILE 43 HB ILE 43 -6.931 1.005 2.895 301 1HG1 ILE 43 1HG1 ILE 43 -5.756 -0.845 2.773 302 2HG1 ILE 43 2HG1 ILE 43 -4.424 0.047 3.335 303 1HG2 ILE 43 1HG2 ILE 43 -5.399 2.339 5.216 304 2HG2 ILE 43 2HG2 ILE 43 -4.521 2.125 3.749 305 3HG2 ILE 43 3HG2 ILE 43 -6.002 3.118 3.749 306 1HD1 ILE 43 1HD1 ILE 43 -5.042 -0.635 5.735 307 2HD1 ILE 43 2HD1 ILE 43 -6.300 -1.659 5.051 308 3HD1 ILE 43 3HD1 ILE 43 -4.626 -1.990 4.649 309 H SER 44 H SER 44 -9.447 1.488 3.189 310 HA SER 44 HA SER 44 -10.694 3.653 4.659 311 1HB SER 44 1HB SER 44 -9.071 4.254 2.182 312 2HB SER 44 2HB SER 44 -10.507 5.177 2.612 313 HG SER 44 HG SER 44 -8.156 5.670 3.405 314 HA PRO 45 HA PRO 45 -13.074 0.701 2.215 315 1HB PRO 45 1HB PRO 45 -15.312 0.541 3.749 316 2HB PRO 45 2HB PRO 45 -13.737 -0.193 4.220 317 1HG PRO 45 1HG PRO 45 -14.921 2.449 5.118 318 2HG PRO 45 2HG PRO 45 -14.196 1.158 6.135 319 1HD PRO 45 1HD PRO 45 -12.800 3.363 5.294 320 2HD PRO 45 2HD PRO 45 -12.013 1.765 5.503 321 H SER 46 H SER 46 -13.743 3.987 2.711 322 HA SER 46 HA SER 46 -16.497 3.974 1.621 323 1HB SER 46 1HB SER 46 -16.052 5.422 3.502 324 2HB SER 46 2HB SER 46 -14.728 6.173 2.600 325 HG SER 46 HG SER 46 -16.848 7.286 2.590 326 H LYS 47 H LYS 47 -16.452 3.633 -0.650 327 HA LYS 47 HA LYS 47 -14.050 3.655 -1.924 328 1HB LYS 47 1HB LYS 47 -16.689 3.713 -3.387 329 2HB LYS 47 2HB LYS 47 -15.119 3.237 -4.040 330 1HG LYS 47 1HG LYS 47 -15.115 1.599 -1.903 331 2HG LYS 47 2HG LYS 47 -16.860 1.787 -2.052 332 1HD LYS 47 1HD LYS 47 -16.685 0.965 -4.433 333 2HD LYS 47 2HD LYS 47 -14.936 0.754 -4.187 334 1HE LYS 47 1HE LYS 47 -15.488 -0.756 -2.218 335 2HE LYS 47 2HE LYS 47 -17.185 -0.702 -2.718 336 1HZ LYS 47 1HZ LYS 47 -15.876 -2.656 -3.533 337 2HZ LYS 47 2HZ LYS 47 -16.520 -1.796 -4.794 338 3HZ LYS 47 3HZ LYS 47 -14.928 -1.699 -4.378 339 H ARG 48 H ARG 48 -15.900 6.593 -1.618 340 HA ARG 48 HA ARG 48 -14.406 8.083 -3.650 341 1HB ARG 48 1HB ARG 48 -16.462 9.047 -2.877 342 2HB ARG 48 2HB ARG 48 -15.969 8.939 -1.189 343 1HG ARG 48 1HG ARG 48 -15.883 11.237 -2.054 344 2HG ARG 48 2HG ARG 48 -14.318 10.680 -1.466 345 1HD ARG 48 1HD ARG 48 -13.570 10.301 -3.815 346 2HD ARG 48 2HD ARG 48 -15.162 10.781 -4.396 347 HE ARG 48 HE ARG 48 -14.514 12.953 -4.273 348 1HH1 ARG 48 2HH2 ARG 48 -12.332 11.187 -2.021 349 2HH1 ARG 48 1HH2 ARG 48 -11.312 12.584 -1.830 350 1HH2 ARG 48 2HH1 ARG 48 -12.840 14.650 -4.173 351 2HH2 ARG 48 1HH1 ARG 48 -11.408 14.269 -3.295 352 H GLN 49 H GLN 49 -14.032 7.593 -0.087 353 HA GLN 49 HA GLN 49 -11.632 9.129 0.139 354 1HB GLN 49 1HB GLN 49 -13.148 8.104 2.048 355 2HB GLN 49 2HB GLN 49 -12.321 6.601 1.756 356 1HG GLN 49 1HG GLN 49 -11.267 7.822 3.625 357 2HG GLN 49 2HG GLN 49 -10.148 7.547 2.290 358 1HE2 GLN 49 1HE2 GLN 49 -8.753 9.318 2.171 359 2HE2 GLN 49 2HE2 GLN 49 -9.334 10.981 2.214 360 H ALA 50 H ALA 50 -12.318 5.710 -0.245 361 HA ALA 50 HA ALA 50 -9.831 4.702 -0.474 362 1HB ALA 50 1HB ALA 50 -10.805 2.897 -1.901 363 2HB ALA 50 2HB ALA 50 -12.024 3.406 -0.713 364 3HB ALA 50 3HB ALA 50 -12.075 3.941 -2.410 365 H ARG 51 H ARG 51 -11.634 5.941 -3.352 366 HA ARG 51 HA ARG 51 -9.228 5.508 -4.860 367 1HB ARG 51 1HB ARG 51 -11.631 5.598 -5.854 368 2HB ARG 51 2HB ARG 51 -11.325 7.339 -6.008 369 1HG ARG 51 1HG ARG 51 -9.323 6.930 -7.334 370 2HG ARG 51 2HG ARG 51 -9.351 5.207 -6.993 371 1HD ARG 51 1HD ARG 51 -11.451 4.997 -8.324 372 2HD ARG 51 2HD ARG 51 -11.290 6.695 -8.797 373 HE ARG 51 HE ARG 51 -9.948 4.444 -9.958 374 1HH1 ARG 51 2HH2 ARG 51 -9.259 7.820 -9.154 375 2HH1 ARG 51 1HH2 ARG 51 -7.898 7.950 -10.186 376 1HH2 ARG 51 2HH1 ARG 51 -8.157 4.527 -11.234 377 2HH2 ARG 51 1HH1 ARG 51 -7.125 5.939 -11.337 378 H GLU 52 H GLU 52 -10.205 8.343 -2.949 379 HA GLU 52 HA GLU 52 -7.976 9.794 -4.342 380 1HB GLU 52 1HB GLU 52 -10.051 10.961 -3.652 381 2HB GLU 52 2HB GLU 52 -9.638 10.657 -1.957 382 1HG GLU 52 1HG GLU 52 -7.577 12.029 -2.210 383 2HG GLU 52 2HG GLU 52 -7.886 12.233 -3.930 384 H ASP 53 H ASP 53 -8.381 7.838 -1.410 385 HA ASP 53 HA ASP 53 -5.879 8.418 -0.170 386 1HB ASP 53 1HB ASP 53 -7.971 6.227 -0.181 387 2HB ASP 53 2HB ASP 53 -6.373 5.704 0.102 388 H ILE 54 H ILE 54 -6.949 6.591 -2.987 389 HA ILE 54 HA ILE 54 -4.276 5.586 -3.426 390 HB ILE 54 HB ILE 54 -7.024 5.294 -4.618 391 1HG1 ILE 54 1HG1 ILE 54 -5.966 2.966 -4.990 392 2HG1 ILE 54 2HG1 ILE 54 -4.614 3.569 -4.020 393 1HG2 ILE 54 1HG2 ILE 54 -4.743 5.151 -6.595 394 2HG2 ILE 54 2HG2 ILE 54 -6.349 4.409 -6.804 395 3HG2 ILE 54 3HG2 ILE 54 -6.195 6.141 -6.671 396 1HD1 ILE 54 1HD1 ILE 54 -6.213 2.389 -2.641 397 2HD1 ILE 54 2HD1 ILE 54 -6.192 4.109 -2.221 398 3HD1 ILE 54 3HD1 ILE 54 -7.506 3.461 -3.217 399 H GLN 55 H GLN 55 -6.352 8.033 -5.151 400 HA GLN 55 HA GLN 55 -4.288 8.667 -6.913 401 1HB GLN 55 1HB GLN 55 -6.902 9.423 -6.718 402 2HB GLN 55 2HB GLN 55 -6.101 10.889 -6.146 403 1HG GLN 55 1HG GLN 55 -6.343 11.237 -8.450 404 2HG GLN 55 2HG GLN 55 -4.666 10.756 -8.289 405 1HE2 GLN 55 1HE2 GLN 55 -4.312 8.128 -8.662 406 2HE2 GLN 55 2HE2 GLN 55 -5.224 7.571 -10.029 407 H ASN 56 H ASN 56 -4.424 9.441 -3.611 408 HA ASN 56 HA ASN 56 -2.790 11.810 -4.016 409 1HB ASN 56 1HB ASN 56 -4.002 10.468 -1.594 410 2HB ASN 56 2HB ASN 56 -2.434 11.172 -1.304 411 1HD2 ASN 56 1HD2 ASN 56 -5.665 11.973 -2.477 412 2HD2 ASN 56 2HD2 ASN 56 -5.520 13.706 -2.182 413 H GLY 57 H GLY 57 -0.936 12.154 -3.927 414 1HA GLY 57 1HA GLY 57 1.201 10.344 -3.981 415 2HA GLY 57 2HA GLY 57 1.361 12.054 -3.578 416 H ALA 58 H ALA 58 -0.717 10.463 -1.433 417 HA ALA 58 HA ALA 58 1.115 10.536 0.864 418 1HB ALA 58 1HB ALA 58 -0.944 10.106 2.155 419 2HB ALA 58 2HB ALA 58 -1.226 11.485 1.073 420 3HB ALA 58 3HB ALA 58 -1.872 9.873 0.671 421 H ILE 59 H ILE 59 -0.346 8.178 -1.473 422 HA ILE 59 HA ILE 59 0.343 5.941 0.381 423 HB ILE 59 HB ILE 59 -1.666 6.015 -0.225 424 1HG1 ILE 59 1HG1 ILE 59 -1.000 3.890 -0.039 425 2HG1 ILE 59 2HG1 ILE 59 -2.184 4.046 -1.343 426 1HG2 ILE 59 1HG2 ILE 59 -2.343 5.694 -2.792 427 2HG2 ILE 59 2HG2 ILE 59 -2.097 7.281 -2.111 428 3HG2 ILE 59 3HG2 ILE 59 -0.821 6.528 -3.086 429 1HD1 ILE 59 1HD1 ILE 59 0.670 3.449 -1.647 430 2HD1 ILE 59 2HD1 ILE 59 -0.796 2.531 -2.152 431 3HD1 ILE 59 3HD1 ILE 59 -0.392 4.041 -2.986 432 H TYR 60 H TYR 60 2.317 5.866 0.632 433 HA TYR 60 HA TYR 60 4.144 5.661 -1.595 434 1HB TYR 60 1HB TYR 60 5.057 5.325 1.205 435 2HB TYR 60 2HB TYR 60 5.774 6.178 -0.110 436 HD1 TYR 60 1HD TYR 60 4.542 8.573 -0.756 437 HD2 TYR 60 2HD TYR 60 4.053 6.437 2.907 438 HE1 TYR 60 1HE TYR 60 3.786 10.645 0.379 439 HE2 TYR 60 2HE TYR 60 3.317 8.491 4.070 440 HH TYR 60 HH TYR 60 2.678 11.509 2.326 441 H VAL 61 H VAL 61 3.886 3.683 -2.566 442 HA VAL 61 HA VAL 61 2.959 1.401 -0.891 443 HB VAL 61 HB VAL 61 2.016 1.949 -3.247 444 1HG1 VAL 61 1HG1 VAL 61 4.246 2.348 -4.338 445 2HG1 VAL 61 2HG1 VAL 61 4.620 0.638 -4.157 446 3HG1 VAL 61 3HG1 VAL 61 3.287 1.117 -5.178 447 1HG2 VAL 61 1HG2 VAL 61 3.132 -0.818 -2.694 448 2HG2 VAL 61 2HG2 VAL 61 1.573 -0.176 -2.144 449 3HG2 VAL 61 3HG2 VAL 61 1.861 -0.431 -3.869 450 H ASN 62 H ASN 62 4.570 -0.164 -0.294 451 HA ASN 62 HA ASN 62 6.804 -0.953 0.028 452 1HB ASN 62 1HB ASN 62 6.378 -0.491 -2.847 453 2HB ASN 62 2HB ASN 62 8.053 -0.587 -2.389 454 1HD2 ASN 62 1HD2 ASN 62 4.869 -2.225 -1.993 455 2HD2 ASN 62 2HD2 ASN 62 5.646 -3.824 -1.942 456 H GLY 63 H GLY 63 6.054 1.951 0.491 457 1HA GLY 63 1HA GLY 63 7.140 3.594 1.706 458 2HA GLY 63 2HA GLY 63 8.714 2.956 1.230 459 H GLU 64 H GLU 64 6.671 3.383 -1.572 460 HA GLU 64 HA GLU 64 8.104 5.891 -2.210 461 1HB GLU 64 1HB GLU 64 9.296 3.840 -2.865 462 2HB GLU 64 2HB GLU 64 7.883 3.362 -3.823 463 1HG GLU 64 1HG GLU 64 8.134 5.315 -5.250 464 2HG GLU 64 2HG GLU 64 9.369 5.991 -4.181 465 H ARG 65 H ARG 65 6.805 7.400 -3.180 466 HA ARG 65 HA ARG 65 3.998 7.119 -3.093 467 1HB ARG 65 1HB ARG 65 5.063 9.246 -2.883 468 2HB ARG 65 2HB ARG 65 5.806 9.142 -4.474 469 1HG ARG 65 1HG ARG 65 2.810 9.140 -4.043 470 2HG ARG 65 2HG ARG 65 3.745 10.645 -4.160 471 1HD ARG 65 1HD ARG 65 4.616 9.376 -6.387 472 2HD ARG 65 2HD ARG 65 2.995 8.686 -6.283 473 HE ARG 65 HE ARG 65 2.142 11.082 -6.260 474 1HH1 ARG 65 2HH2 ARG 65 5.349 10.422 -7.749 475 2HH1 ARG 65 1HH2 ARG 65 5.246 11.828 -8.758 476 1HH2 ARG 65 2HH1 ARG 65 2.099 12.853 -7.556 477 2HH2 ARG 65 1HH1 ARG 65 3.503 13.366 -8.452 478 H LEU 66 H LEU 66 2.780 5.844 -4.311 479 HA LEU 66 HA LEU 66 2.925 6.114 -7.258 480 1HB LEU 66 1HB LEU 66 3.124 3.543 -5.768 481 2HB LEU 66 2HB LEU 66 2.434 3.629 -7.389 482 HG LEU 66 HG LEU 66 5.262 4.399 -6.564 483 1HD1 LEU 66 1HD1 LEU 66 5.874 2.497 -8.002 484 2HD1 LEU 66 2HD1 LEU 66 4.896 2.019 -6.613 485 3HD1 LEU 66 3HD1 LEU 66 4.146 2.123 -8.227 486 1HD2 LEU 66 1HD2 LEU 66 5.646 4.499 -9.097 487 2HD2 LEU 66 2HD2 LEU 66 3.898 4.550 -9.301 488 3HD2 LEU 66 3HD2 LEU 66 4.735 5.851 -8.437 489 H GLN 67 H GLN 67 0.832 6.943 -7.629 490 HA GLN 67 HA GLN 67 -1.371 5.974 -5.901 491 1HB GLN 67 1HB GLN 67 -2.174 8.417 -6.296 492 2HB GLN 67 2HB GLN 67 -0.948 8.116 -5.083 493 1HG GLN 67 1HG GLN 67 -1.034 10.165 -6.616 494 2HG GLN 67 2HG GLN 67 0.458 9.507 -6.094 495 1HE2 GLN 67 1HE2 GLN 67 1.982 9.215 -8.048 496 2HE2 GLN 67 2HE2 GLN 67 1.311 8.951 -9.630 497 H ASP 68 H ASP 68 -0.598 5.092 -8.692 498 HA ASP 68 HA ASP 68 -3.167 5.791 -10.000 499 1HB ASP 68 1HB ASP 68 -1.344 6.866 -11.096 500 2HB ASP 68 2HB ASP 68 -0.380 5.393 -11.086 501 H VAL 69 H VAL 69 -4.119 4.143 -11.198 502 HA VAL 69 HA VAL 69 -3.909 1.429 -10.097 503 HB VAL 69 HB VAL 69 -6.000 2.697 -10.653 504 1HG1 VAL 69 1HG1 VAL 69 -6.879 2.795 -12.911 505 2HG1 VAL 69 2HG1 VAL 69 -5.389 3.744 -12.799 506 3HG1 VAL 69 3HG1 VAL 69 -5.375 2.131 -13.546 507 1HG2 VAL 69 1HG2 VAL 69 -7.242 0.800 -11.372 508 2HG2 VAL 69 2HG2 VAL 69 -5.829 0.109 -12.191 509 3HG2 VAL 69 3HG2 VAL 69 -5.872 0.202 -10.416 510 H GLY 70 H GLY 70 -2.980 3.154 -13.029 511 1HA GLY 70 1HA GLY 70 -1.741 0.846 -14.244 512 2HA GLY 70 2HA GLY 70 -1.390 2.540 -14.649 513 H ALA 71 H ALA 71 -0.874 2.616 -11.532 514 HA ALA 71 HA ALA 71 2.019 2.011 -11.747 515 1HB ALA 71 1HB ALA 71 2.339 3.043 -9.616 516 2HB ALA 71 2HB ALA 71 1.515 4.173 -10.695 517 3HB ALA 71 3HB ALA 71 0.620 3.339 -9.394 518 H ILE 72 H ILE 72 -0.800 1.129 -9.567 519 HA ILE 72 HA ILE 72 0.653 -1.401 -8.985 520 HB ILE 72 HB ILE 72 -0.892 0.068 -6.919 521 1HG1 ILE 72 1HG1 ILE 72 2.056 0.097 -6.668 522 2HG1 ILE 72 2HG1 ILE 72 1.497 1.199 -7.863 523 1HG2 ILE 72 1HG2 ILE 72 0.472 -1.385 -5.398 524 2HG2 ILE 72 2HG2 ILE 72 -0.477 -2.338 -6.528 525 3HG2 ILE 72 3HG2 ILE 72 1.254 -2.112 -6.815 526 1HD1 ILE 72 1HD1 ILE 72 0.234 1.094 -5.090 527 2HD1 ILE 72 2HD1 ILE 72 1.475 2.249 -5.576 528 3HD1 ILE 72 3HD1 ILE 72 -0.072 2.271 -6.399 529 H LEU 73 H LEU 73 -0.637 -3.241 -9.283 530 HA LEU 73 HA LEU 73 -3.457 -3.047 -8.667 531 1HB LEU 73 1HB LEU 73 -2.133 -4.863 -10.666 532 2HB LEU 73 2HB LEU 73 -3.817 -4.903 -10.156 533 HG LEU 73 HG LEU 73 -2.525 -2.477 -11.506 534 1HD1 LEU 73 1HD1 LEU 73 -2.759 -4.539 -12.989 535 2HD1 LEU 73 2HD1 LEU 73 -4.499 -4.467 -12.680 536 3HD1 LEU 73 3HD1 LEU 73 -3.679 -3.130 -13.509 537 1HD2 LEU 73 1HD2 LEU 73 -5.369 -3.040 -10.732 538 2HD2 LEU 73 2HD2 LEU 73 -4.300 -1.641 -10.302 539 3HD2 LEU 73 3HD2 LEU 73 -4.882 -1.844 -11.943 540 H THR 74 H THR 74 -1.481 -6.013 -9.045 541 HA THR 74 HA THR 74 -1.827 -6.493 -6.191 542 HB THR 74 HB THR 74 -1.053 -8.846 -7.277 543 HG1 THR 74 1HG THR 74 -1.274 -8.958 -9.356 544 1HG2 THR 74 1HG2 THR 74 -3.193 -8.338 -6.205 545 2HG2 THR 74 2HG2 THR 74 -3.744 -7.487 -7.643 546 3HG2 THR 74 3HG2 THR 74 -3.440 -9.249 -7.694 547 H ALA 75 H ALA 75 -0.120 -8.224 -5.411 548 HA ALA 75 HA ALA 75 2.271 -6.968 -4.833 549 1HB ALA 75 1HB ALA 75 1.444 -8.910 -3.575 550 2HB ALA 75 2HB ALA 75 1.573 -9.930 -5.020 551 3HB ALA 75 3HB ALA 75 3.041 -9.326 -4.252 552 H GLU 76 H GLU 76 1.730 -9.239 -7.574 553 HA GLU 76 HA GLU 76 4.503 -9.034 -8.440 554 1HB GLU 76 1HB GLU 76 3.172 -11.021 -8.747 555 2HB GLU 76 2HB GLU 76 1.980 -10.137 -9.692 556 1HG GLU 76 1HG GLU 76 3.642 -9.825 -11.506 557 2HG GLU 76 2HG GLU 76 4.861 -10.659 -10.525 558 H HIS 77 H HIS 77 1.914 -6.894 -8.545 559 HA HIS 77 HA HIS 77 2.894 -5.514 -10.988 560 1HB HIS 77 1HB HIS 77 0.430 -5.962 -10.429 561 2HB HIS 77 2HB HIS 77 0.628 -4.708 -9.199 562 HD1 HIS 77 1HD HIS 77 1.796 -2.301 -10.406 563 HD2 HIS 77 2HD HIS 77 -0.645 -5.004 -12.460 564 HE1 HIS 77 1HE HIS 77 0.278 -0.926 -11.793 565 H ARG 78 H ARG 78 3.680 -5.712 -7.664 566 HA ARG 78 HA ARG 78 4.729 -2.930 -7.770 567 1HB ARG 78 1HB ARG 78 2.942 -3.593 -5.929 568 2HB ARG 78 2HB ARG 78 4.317 -4.333 -5.150 569 1HG ARG 78 1HG ARG 78 3.666 -1.428 -5.561 570 2HG ARG 78 2HG ARG 78 4.235 -2.263 -4.148 571 1HD ARG 78 1HD ARG 78 6.053 -0.919 -4.742 572 2HD ARG 78 2HD ARG 78 6.531 -2.483 -5.388 573 HE ARG 78 HE ARG 78 5.117 -0.859 -7.325 574 1HH1 ARG 78 2HH2 ARG 78 8.305 -1.164 -5.775 575 2HH1 ARG 78 1HH2 ARG 78 9.165 -0.443 -7.068 576 1HH2 ARG 78 2HH1 ARG 78 6.252 0.102 -9.072 577 2HH2 ARG 78 1HH1 ARG 78 7.943 0.417 -8.904 578 H LEU 79 H LEU 79 5.427 -6.076 -6.132 579 HA LEU 79 HA LEU 79 8.283 -5.705 -6.538 580 1HB LEU 79 1HB LEU 79 7.503 -8.123 -5.188 581 2HB LEU 79 2HB LEU 79 8.386 -6.728 -4.592 582 HG LEU 79 HG LEU 79 5.388 -7.040 -4.353 583 1HD1 LEU 79 1HD1 LEU 79 7.724 -7.665 -2.508 584 2HD1 LEU 79 2HD1 LEU 79 6.086 -7.510 -1.924 585 3HD1 LEU 79 3HD1 LEU 79 6.512 -8.776 -3.120 586 1HD2 LEU 79 1HD2 LEU 79 6.653 -4.660 -4.117 587 2HD2 LEU 79 2HD2 LEU 79 5.312 -5.190 -3.089 588 3HD2 LEU 79 3HD2 LEU 79 6.996 -5.323 -2.515 589 H GLU 80 H GLU 80 9.165 -8.099 -7.006 590 HA GLU 80 HA GLU 80 8.393 -9.156 -9.479 591 1HB GLU 80 1HB GLU 80 9.882 -10.961 -8.898 592 2HB GLU 80 2HB GLU 80 10.537 -9.499 -8.148 593 1HG GLU 80 1HG GLU 80 9.236 -10.198 -6.017 594 2HG GLU 80 2HG GLU 80 8.978 -11.749 -6.805 595 H GLY 81 H GLY 81 6.569 -9.347 -6.623 596 1HA GLY 81 1HA GLY 81 4.414 -10.331 -6.620 597 2HA GLY 81 2HA GLY 81 5.061 -11.662 -7.567 598 H ARG 82 H ARG 82 5.089 -10.110 -4.393 599 HA ARG 82 HA ARG 82 5.133 -12.775 -3.165 600 1HB ARG 82 1HB ARG 82 7.218 -10.727 -2.277 601 2HB ARG 82 2HB ARG 82 6.824 -12.244 -1.467 602 1HG ARG 82 1HG ARG 82 7.370 -13.461 -3.604 603 2HG ARG 82 2HG ARG 82 7.950 -11.918 -4.266 604 1HD ARG 82 1HD ARG 82 9.574 -11.835 -2.314 605 2HD ARG 82 2HD ARG 82 9.129 -13.524 -1.981 606 HE ARG 82 HE ARG 82 10.768 -12.458 -4.124 607 1HH1 ARG 82 2HH2 ARG 82 8.632 -15.278 -3.377 608 2HH1 ARG 82 1HH2 ARG 82 9.057 -16.055 -4.866 609 1HH2 ARG 82 2HH1 ARG 82 11.557 -13.741 -5.787 610 2HH2 ARG 82 1HH1 ARG 82 11.003 -15.350 -6.050 611 H PHE 83 H PHE 83 4.916 -9.229 -2.449 612 HA PHE 83 HA PHE 83 2.598 -9.557 -0.732 613 1HB PHE 83 1HB PHE 83 5.375 -8.753 0.272 614 2HB PHE 83 2HB PHE 83 3.933 -8.170 1.053 615 HD1 PHE 83 1HD PHE 83 2.439 -9.577 2.348 616 HD2 PHE 83 2HD PHE 83 6.032 -11.174 0.574 617 HE1 PHE 83 1HE PHE 83 2.440 -11.413 4.011 618 HE2 PHE 83 2HE PHE 83 5.918 -13.102 2.140 619 HZ PHE 83 HZ PHE 83 4.222 -13.143 3.925 620 H THR 84 H THR 84 2.355 -6.975 0.177 621 HA THR 84 HA THR 84 3.891 -5.100 -1.396 622 HB THR 84 HB THR 84 1.052 -5.710 -2.057 623 HG1 THR 84 1HG THR 84 2.925 -5.968 -3.328 624 1HG2 THR 84 1HG2 THR 84 0.612 -3.409 -2.903 625 2HG2 THR 84 2HG2 THR 84 0.619 -3.472 -1.135 626 3HG2 THR 84 3HG2 THR 84 2.027 -2.818 -2.006 627 H VAL 85 H VAL 85 4.330 -3.387 -0.047 628 HA VAL 85 HA VAL 85 2.887 -3.086 2.511 629 HB VAL 85 HB VAL 85 5.104 -1.282 1.480 630 1HG1 VAL 85 1HG1 VAL 85 5.651 -1.068 3.853 631 2HG1 VAL 85 2HG1 VAL 85 3.949 -0.701 3.583 632 3HG1 VAL 85 3HG1 VAL 85 4.411 -2.271 4.274 633 1HG2 VAL 85 1HG2 VAL 85 5.569 -4.017 2.682 634 2HG2 VAL 85 2HG2 VAL 85 6.139 -3.425 1.096 635 3HG2 VAL 85 3HG2 VAL 85 6.790 -2.731 2.570 636 H ILE 86 H ILE 86 1.242 -1.458 2.641 637 HA ILE 86 HA ILE 86 1.214 0.661 0.506 638 HB ILE 86 HB ILE 86 -0.807 -0.580 2.358 639 1HG1 ILE 86 1HG1 ILE 86 -0.396 -1.644 0.047 640 2HG1 ILE 86 2HG1 ILE 86 -2.074 -1.268 0.457 641 1HG2 ILE 86 1HG2 ILE 86 -1.250 1.873 2.393 642 2HG2 ILE 86 2HG2 ILE 86 -1.232 1.929 0.664 643 3HG2 ILE 86 3HG2 ILE 86 -2.525 1.035 1.510 644 1HD1 ILE 86 1HD1 ILE 86 -0.379 0.647 -1.122 645 2HD1 ILE 86 2HD1 ILE 86 -1.349 -0.638 -1.886 646 3HD1 ILE 86 3HD1 ILE 86 -2.150 0.629 -0.938 647 H ARG 87 H ARG 87 2.492 2.452 1.469 648 HA ARG 87 HA ARG 87 2.022 2.786 4.372 649 1HB ARG 87 1HB ARG 87 4.359 2.377 3.412 650 2HB ARG 87 2HB ARG 87 4.294 4.029 2.843 651 1HG ARG 87 1HG ARG 87 3.661 3.428 5.761 652 2HG ARG 87 2HG ARG 87 5.315 3.342 5.149 653 1HD ARG 87 1HD ARG 87 5.190 5.575 4.294 654 2HD ARG 87 2HD ARG 87 3.596 5.809 5.055 655 HE ARG 87 HE ARG 87 5.101 5.088 7.174 656 1HH1 ARG 87 2HH2 ARG 87 6.310 7.071 4.450 657 2HH1 ARG 87 1HH2 ARG 87 6.914 8.318 5.483 658 1HH2 ARG 87 2HH1 ARG 87 6.351 6.665 8.541 659 2HH2 ARG 87 1HH1 ARG 87 7.298 7.800 7.651 660 H ARG 88 H ARG 88 -0.062 3.599 3.976 661 HA ARG 88 HA ARG 88 -0.236 6.031 2.322 662 1HB ARG 88 1HB ARG 88 -1.985 4.285 2.122 663 2HB ARG 88 2HB ARG 88 -2.571 4.769 3.733 664 1HG ARG 88 1HG ARG 88 -3.050 6.962 3.063 665 2HG ARG 88 2HG ARG 88 -2.125 6.871 1.586 666 1HD ARG 88 1HD ARG 88 -4.678 5.421 2.255 667 2HD ARG 88 2HD ARG 88 -4.461 6.759 1.113 668 HE ARG 88 HE ARG 88 -3.744 5.438 -0.483 669 1HH1 ARG 88 2HH2 ARG 88 -4.471 3.522 2.333 670 2HH1 ARG 88 1HH2 ARG 88 -4.586 1.992 1.541 671 1HH2 ARG 88 2HH1 ARG 88 -4.034 3.409 -1.656 672 2HH2 ARG 88 1HH1 ARG 88 -4.396 1.939 -0.836 673 H GLY 89 H GLY 89 0.577 7.743 3.352 674 1HA GLY 89 1HA GLY 89 1.215 8.081 5.984 675 2HA GLY 89 2HA GLY 89 0.849 9.407 4.881 676 H LYS 90 H LYS 90 -2.065 8.297 4.762 677 HA LYS 90 HA LYS 90 -3.416 9.778 6.690 678 1HB LYS 90 1HB LYS 90 -4.329 8.446 4.647 679 2HB LYS 90 2HB LYS 90 -4.344 7.046 5.723 680 1HG LYS 90 1HG LYS 90 -5.733 8.724 7.302 681 2HG LYS 90 2HG LYS 90 -5.979 9.589 5.794 682 1HD LYS 90 1HD LYS 90 -7.863 8.194 6.082 683 2HD LYS 90 2HD LYS 90 -6.902 7.388 4.828 684 1HE LYS 90 1HE LYS 90 -6.031 5.781 6.475 685 2HE LYS 90 2HE LYS 90 -6.718 6.719 7.806 686 1HZ LYS 90 1HZ LYS 90 -8.251 5.165 5.817 687 2HZ LYS 90 2HZ LYS 90 -8.070 4.854 7.408 688 3HZ LYS 90 3HZ LYS 90 -8.917 6.170 6.954 689 H LYS 91 H LYS 91 -1.961 6.536 7.051 690 HA LYS 91 HA LYS 91 -2.083 6.849 9.940 691 1HB LYS 91 1HB LYS 91 -4.201 5.684 9.505 692 2HB LYS 91 2HB LYS 91 -3.380 4.430 8.635 693 1HG LYS 91 1HG LYS 91 -3.989 3.615 10.753 694 2HG LYS 91 2HG LYS 91 -2.230 3.698 10.706 695 1HD LYS 91 1HD LYS 91 -2.171 5.551 12.205 696 2HD LYS 91 2HD LYS 91 -3.854 5.978 11.881 697 1HE LYS 91 1HE LYS 91 -3.600 4.994 14.119 698 2HE LYS 91 2HE LYS 91 -4.693 4.061 13.086 699 1HZ LYS 91 1HZ LYS 91 -3.208 2.668 14.358 700 2HZ LYS 91 2HZ LYS 91 -2.978 2.435 12.780 701 3HZ LYS 91 3HZ LYS 91 -1.879 3.339 13.659 702 H LYS 92 H LYS 92 -1.265 3.934 7.791 703 HA LYS 92 HA LYS 92 1.537 4.440 8.268 704 1HB LYS 92 1HB LYS 92 0.162 3.410 10.392 705 2HB LYS 92 2HB LYS 92 0.432 1.947 9.530 706 1HG LYS 92 1HG LYS 92 2.285 2.069 10.974 707 2HG LYS 92 2HG LYS 92 2.949 2.704 9.466 708 1HD LYS 92 1HD LYS 92 3.726 4.110 11.229 709 2HD LYS 92 2HD LYS 92 2.553 5.025 10.290 710 1HE LYS 92 1HE LYS 92 2.037 5.514 12.544 711 2HE LYS 92 2HE LYS 92 0.798 4.379 12.036 712 1HZ LYS 92 1HZ LYS 92 1.476 3.597 14.082 713 2HZ LYS 92 2HZ LYS 92 2.362 2.628 13.127 714 3HZ LYS 92 3HZ LYS 92 3.063 3.922 13.848 715 H TYR 93 H TYR 93 1.994 1.582 8.199 716 HA TYR 93 HA TYR 93 2.094 1.036 5.326 717 1HB TYR 93 1HB TYR 93 3.910 -0.633 6.333 718 2HB TYR 93 2HB TYR 93 4.171 0.913 5.617 719 HD1 TYR 93 1HD TYR 93 3.336 -0.476 9.025 720 HD2 TYR 93 2HD TYR 93 5.850 2.132 6.733 721 HE1 TYR 93 1HE TYR 93 4.463 0.281 11.103 722 HE2 TYR 93 2HE TYR 93 7.010 2.858 8.763 723 HH TYR 93 HH TYR 93 7.357 2.273 11.051 724 H TYR 94 H TYR 94 -0.143 0.038 5.310 725 HA TYR 94 HA TYR 94 -0.556 -2.340 6.997 726 1HB TYR 94 1HB TYR 94 -2.361 -1.804 4.733 727 2HB TYR 94 2HB TYR 94 -2.672 -2.075 6.434 728 HD1 TYR 94 1HD TYR 94 -3.196 -0.177 7.936 729 HD2 TYR 94 2HD TYR 94 -1.738 0.391 3.967 730 HE1 TYR 94 1HE TYR 94 -3.544 2.249 8.181 731 HE2 TYR 94 2HE TYR 94 -1.911 2.827 4.212 732 HH TYR 94 HH TYR 94 -2.114 4.563 5.843 733 H LEU 95 H LEU 95 -0.487 -4.392 6.319 734 HA LEU 95 HA LEU 95 1.204 -4.820 3.973 735 1HB LEU 95 1HB LEU 95 0.955 -6.036 6.498 736 2HB LEU 95 2HB LEU 95 0.297 -7.227 5.386 737 HG LEU 95 HG LEU 95 3.095 -6.049 5.378 738 1HD1 LEU 95 1HD1 LEU 95 3.695 -8.444 5.738 739 2HD1 LEU 95 2HD1 LEU 95 2.660 -7.826 7.033 740 3HD1 LEU 95 3HD1 LEU 95 1.980 -8.874 5.770 741 1HD2 LEU 95 1HD2 LEU 95 3.413 -7.772 3.491 742 2HD2 LEU 95 2HD2 LEU 95 1.657 -7.754 3.322 743 3HD2 LEU 95 3HD2 LEU 95 2.613 -6.262 3.066 744 H ILE 96 H ILE 96 0.609 -6.070 2.201 745 HA ILE 96 HA ILE 96 -2.114 -7.266 2.091 746 HB ILE 96 HB ILE 96 -0.897 -5.323 0.087 747 1HG1 ILE 96 1HG1 ILE 96 -3.398 -4.599 0.099 748 2HG1 ILE 96 2HG1 ILE 96 -3.539 -5.529 1.575 749 1HG2 ILE 96 1HG2 ILE 96 -1.544 -7.251 -1.268 750 2HG2 ILE 96 2HG2 ILE 96 -3.139 -7.309 -0.485 751 3HG2 ILE 96 3HG2 ILE 96 -2.681 -5.942 -1.523 752 1HD1 ILE 96 1HD1 ILE 96 -2.277 -3.930 2.783 753 2HD1 ILE 96 2HD1 ILE 96 -1.424 -3.379 1.331 754 3HD1 ILE 96 3HD1 ILE 96 -3.131 -2.944 1.620 755 H ARG 97 H ARG 97 -2.100 -9.244 1.347 756 HA ARG 97 HA ARG 97 -0.081 -9.935 -0.729 757 1HB ARG 97 1HB ARG 97 0.285 -11.091 1.732 758 2HB ARG 97 2HB ARG 97 -0.783 -12.277 1.008 759 1HG ARG 97 1HG ARG 97 0.967 -11.871 -1.066 760 2HG ARG 97 2HG ARG 97 1.983 -11.429 0.281 761 1HD ARG 97 1HD ARG 97 0.663 -14.138 -0.145 762 2HD ARG 97 2HD ARG 97 2.305 -13.741 -0.488 763 HE ARG 97 HE ARG 97 2.846 -13.621 1.769 764 1HH1 ARG 97 2HH2 ARG 97 -0.528 -14.695 1.295 765 2HH1 ARG 97 1HH2 ARG 97 -0.561 -15.599 2.781 766 1HH2 ARG 97 2HH1 ARG 97 2.808 -15.033 3.593 767 2HH2 ARG 97 1HH1 ARG 97 1.287 -15.534 4.250 768 H TYR 98 H TYR 98 -0.717 -12.357 -1.488 769 HA TYR 98 HA TYR 98 -3.554 -12.497 -1.969 770 1HB TYR 98 1HB TYR 98 -2.650 -14.018 -3.926 771 2HB TYR 98 2HB TYR 98 -3.037 -12.311 -4.113 772 HD1 TYR 98 1HD TYR 98 0.152 -13.779 -2.692 773 HD2 TYR 98 2HD TYR 98 -1.763 -11.766 -6.022 774 HE1 TYR 98 1HE TYR 98 2.340 -13.470 -3.781 775 HE2 TYR 98 2HE TYR 98 0.407 -11.580 -7.149 776 HH TYR 98 HH TYR 98 2.775 -12.810 -7.008 777 H ALA 99 H ALA 99 -4.292 -14.702 -2.045 778 HA ALA 99 HA ALA 99 -3.462 -16.246 0.171 779 1HB ALA 99 1HB ALA 99 -5.425 -16.926 -2.065 780 2HB ALA 99 2HB ALA 99 -5.341 -17.695 -0.467 781 3HB ALA 99 3HB ALA 99 -5.815 -15.995 -0.599 Start of MODEL 5 1 1H ALA 1 1H ALA 1 18.645 -12.168 4.081 2 2H ALA 1 2H ALA 1 19.658 -11.376 3.051 3 3H ALA 1 3H ALA 1 18.154 -11.807 2.536 4 HA ALA 1 HA ALA 1 20.213 -13.678 3.385 5 1HB ALA 1 1HB ALA 1 18.843 -15.420 2.409 6 2HB ALA 1 2HB ALA 1 17.919 -14.515 3.606 7 3HB ALA 1 3HB ALA 1 17.643 -14.242 1.877 8 H LEU 2 H LEU 2 18.478 -12.842 0.312 9 HA LEU 2 HA LEU 2 21.044 -12.406 -1.044 10 1HB LEU 2 1HB LEU 2 20.775 -14.880 -1.155 11 2HB LEU 2 2HB LEU 2 19.176 -14.675 -1.864 12 HG LEU 2 HG LEU 2 20.253 -13.487 -3.831 13 1HD1 LEU 2 1HD1 LEU 2 22.727 -13.900 -4.124 14 2HD1 LEU 2 2HD1 LEU 2 22.363 -12.732 -2.853 15 3HD1 LEU 2 3HD1 LEU 2 22.810 -14.404 -2.432 16 1HD2 LEU 2 1HD2 LEU 2 21.068 -15.537 -4.862 17 2HD2 LEU 2 2HD2 LEU 2 21.264 -16.303 -3.274 18 3HD2 LEU 2 3HD2 LEU 2 19.643 -15.877 -3.876 19 H PHE 3 H PHE 3 17.550 -12.967 -1.489 20 HA PHE 3 HA PHE 3 17.171 -11.693 -3.931 21 1HB PHE 3 1HB PHE 3 15.281 -12.237 -1.609 22 2HB PHE 3 2HB PHE 3 14.767 -11.632 -3.174 23 HD1 PHE 3 1HD PHE 3 14.081 -13.142 -4.814 24 HD2 PHE 3 2HD PHE 3 16.741 -14.544 -1.705 25 HE1 PHE 3 1HE PHE 3 13.914 -15.445 -5.683 26 HE2 PHE 3 2HE PHE 3 16.653 -16.814 -2.654 27 HZ PHE 3 HZ PHE 3 15.208 -17.290 -4.620 28 H SER 4 H SER 4 17.966 -9.634 -4.216 29 HA SER 4 HA SER 4 16.878 -7.448 -2.580 30 1HB SER 4 1HB SER 4 19.171 -6.642 -2.020 31 2HB SER 4 2HB SER 4 18.729 -8.144 -1.211 32 HG SER 4 HG SER 4 19.999 -9.288 -2.671 33 H GLY 5 H GLY 5 16.070 -7.789 -5.054 34 1HA GLY 5 1HA GLY 5 17.779 -6.169 -6.873 35 2HA GLY 5 2HA GLY 5 16.251 -6.955 -7.278 36 H ASP 6 H ASP 6 14.288 -5.958 -6.693 37 HA ASP 6 HA ASP 6 14.444 -3.037 -6.727 38 1HB ASP 6 1HB ASP 6 12.648 -4.949 -7.662 39 2HB ASP 6 2HB ASP 6 11.780 -4.280 -6.290 40 H ILE 7 H ILE 7 12.918 -5.353 -4.599 41 HA ILE 7 HA ILE 7 12.465 -3.270 -2.638 42 HB ILE 7 HB ILE 7 11.101 -5.154 -1.540 43 1HG1 ILE 7 1HG1 ILE 7 10.699 -6.609 -4.040 44 2HG1 ILE 7 2HG1 ILE 7 12.369 -6.775 -3.561 45 1HG2 ILE 7 1HG2 ILE 7 10.289 -4.347 -4.340 46 2HG2 ILE 7 2HG2 ILE 7 9.277 -4.682 -2.898 47 3HG2 ILE 7 3HG2 ILE 7 10.304 -3.254 -2.959 48 1HD1 ILE 7 1HD1 ILE 7 10.098 -7.434 -1.682 49 2HD1 ILE 7 2HD1 ILE 7 10.919 -8.598 -2.737 50 3HD1 ILE 7 3HD1 ILE 7 11.835 -7.743 -1.477 51 H ALA 8 H ALA 8 14.994 -3.771 -2.934 52 HA ALA 8 HA ALA 8 16.032 -5.841 -1.277 53 1HB ALA 8 1HB ALA 8 17.354 -4.684 -3.121 54 2HB ALA 8 2HB ALA 8 17.450 -3.250 -2.092 55 3HB ALA 8 3HB ALA 8 18.258 -4.731 -1.590 56 H ASN 9 H ASN 9 14.620 -3.002 -0.195 57 HA ASN 9 HA ASN 9 15.895 -3.140 2.445 58 1HB ASN 9 1HB ASN 9 14.785 -1.113 2.760 59 2HB ASN 9 2HB ASN 9 15.669 -0.991 1.221 60 1HD2 ASN 9 1HD2 ASN 9 14.326 -0.977 -0.792 61 2HD2 ASN 9 2HD2 ASN 9 12.697 -0.397 -0.674 62 H LEU 10 H LEU 10 13.198 -4.077 0.630 63 HA LEU 10 HA LEU 10 11.645 -4.814 3.080 64 1HB LEU 10 1HB LEU 10 9.749 -3.943 2.645 65 2HB LEU 10 2HB LEU 10 10.878 -2.662 2.363 66 HG LEU 10 HG LEU 10 9.490 -4.045 0.005 67 1HD1 LEU 10 1HD1 LEU 10 7.742 -2.729 0.112 68 2HD1 LEU 10 2HD1 LEU 10 7.894 -3.234 1.763 69 3HD1 LEU 10 3HD1 LEU 10 8.452 -1.607 1.341 70 1HD2 LEU 10 1HD2 LEU 10 11.484 -2.689 -0.495 71 2HD2 LEU 10 2HD2 LEU 10 9.976 -2.028 -1.145 72 3HD2 LEU 10 3HD2 LEU 10 10.688 -1.310 0.297 73 H THR 11 H THR 11 12.782 -6.901 2.584 74 HA THR 11 HA THR 11 11.765 -8.571 0.507 75 HB THR 11 HB THR 11 12.961 -9.656 2.978 76 HG1 THR 11 1HG THR 11 14.622 -8.418 3.075 77 1HG2 THR 11 1HG2 THR 11 13.904 -9.885 0.091 78 2HG2 THR 11 2HG2 THR 11 14.379 -10.907 1.467 79 3HG2 THR 11 3HG2 THR 11 12.728 -10.983 0.848 80 H ALA 12 H ALA 12 10.916 -10.785 1.544 81 HA ALA 12 HA ALA 12 8.169 -10.210 2.449 82 1HB ALA 12 1HB ALA 12 8.142 -12.768 2.786 83 2HB ALA 12 2HB ALA 12 8.453 -12.200 1.138 84 3HB ALA 12 3HB ALA 12 9.793 -12.788 2.161 85 H ALA 13 H ALA 13 10.874 -11.664 4.235 86 HA ALA 13 HA ALA 13 9.181 -11.671 6.642 87 1HB ALA 13 1HB ALA 13 10.867 -13.418 6.241 88 2HB ALA 13 2HB ALA 13 12.160 -12.207 6.303 89 3HB ALA 13 3HB ALA 13 11.180 -12.550 7.744 90 H GLU 14 H GLU 14 11.259 -9.425 4.970 91 HA GLU 14 HA GLU 14 11.881 -7.689 7.218 92 1HB GLU 14 1HB GLU 14 12.494 -8.002 4.360 93 2HB GLU 14 2HB GLU 14 11.910 -6.387 4.641 94 1HG GLU 14 1HG GLU 14 14.143 -6.064 4.875 95 2HG GLU 14 2HG GLU 14 13.706 -6.339 6.567 96 H ILE 15 H ILE 15 9.390 -8.029 4.694 97 HA ILE 15 HA ILE 15 8.016 -5.592 5.261 98 HB ILE 15 HB ILE 15 7.603 -8.055 3.494 99 1HG1 ILE 15 1HG1 ILE 15 7.518 -5.084 2.985 100 2HG1 ILE 15 2HG1 ILE 15 8.951 -6.059 2.865 101 1HG2 ILE 15 1HG2 ILE 15 5.390 -7.866 4.389 102 2HG2 ILE 15 2HG2 ILE 15 5.360 -6.112 4.094 103 3HG2 ILE 15 3HG2 ILE 15 5.381 -7.278 2.754 104 1HD1 ILE 15 1HD1 ILE 15 7.908 -7.440 1.072 105 2HD1 ILE 15 2HD1 ILE 15 6.460 -6.405 1.119 106 3HD1 ILE 15 3HD1 ILE 15 7.998 -5.723 0.629 107 H GLU 16 H GLU 16 7.353 -9.069 5.907 108 HA GLU 16 HA GLU 16 5.109 -8.529 7.512 109 1HB GLU 16 1HB GLU 16 7.170 -10.697 7.895 110 2HB GLU 16 2HB GLU 16 5.659 -10.529 8.825 111 1HG GLU 16 1HG GLU 16 4.489 -10.471 6.470 112 2HG GLU 16 2HG GLU 16 5.966 -11.267 5.904 113 H GLN 17 H GLN 17 8.574 -8.612 8.772 114 HA GLN 17 HA GLN 17 7.506 -7.953 11.416 115 1HB GLN 17 1HB GLN 17 9.518 -9.300 11.076 116 2HB GLN 17 2HB GLN 17 10.309 -7.910 10.293 117 1HG GLN 17 1HG GLN 17 11.185 -7.996 12.459 118 2HG GLN 17 2HG GLN 17 10.034 -6.672 12.523 119 1HE2 GLN 17 1HE2 GLN 17 11.094 -9.541 14.001 120 2HE2 GLN 17 2HE2 GLN 17 9.700 -9.835 15.030 121 H GLY 18 H GLY 18 8.662 -6.250 8.534 122 1HA GLY 18 1HA GLY 18 9.470 -3.838 9.629 123 2HA GLY 18 2HA GLY 18 8.933 -4.127 7.964 124 H PHE 19 H PHE 19 6.368 -5.145 8.532 125 HA PHE 19 HA PHE 19 4.975 -2.598 9.244 126 1HB PHE 19 1HB PHE 19 4.540 -4.556 6.973 127 2HB PHE 19 2HB PHE 19 3.637 -3.076 7.228 128 HD1 PHE 19 1HD PHE 19 5.496 -0.963 7.755 129 HD2 PHE 19 2HD PHE 19 6.174 -4.408 5.301 130 HE1 PHE 19 1HE PHE 19 7.255 0.261 6.561 131 HE2 PHE 19 2HE PHE 19 8.060 -3.228 4.181 132 HZ PHE 19 HZ PHE 19 8.561 -0.877 4.739 133 H LYS 20 H LYS 20 5.372 -5.471 10.538 134 HA LYS 20 HA LYS 20 2.849 -6.504 11.046 135 1HB LYS 20 1HB LYS 20 5.542 -6.998 11.908 136 2HB LYS 20 2HB LYS 20 4.654 -6.759 13.371 137 1HG LYS 20 1HG LYS 20 3.019 -8.474 12.766 138 2HG LYS 20 2HG LYS 20 3.761 -8.669 11.164 139 1HD LYS 20 1HD LYS 20 5.872 -9.441 12.225 140 2HD LYS 20 2HD LYS 20 5.160 -9.190 13.819 141 1HE LYS 20 1HE LYS 20 4.963 -11.501 13.405 142 2HE LYS 20 2HE LYS 20 3.334 -10.842 13.187 143 1HZ LYS 20 1HZ LYS 20 4.019 -12.446 11.490 144 2HZ LYS 20 2HZ LYS 20 3.639 -11.020 10.801 145 3HZ LYS 20 3HZ LYS 20 5.235 -11.453 11.009 146 H ASP 21 H ASP 21 3.726 -3.518 11.997 147 HA ASP 21 HA ASP 21 2.188 -3.400 14.484 148 1HB ASP 21 1HB ASP 21 3.882 -1.718 14.132 149 2HB ASP 21 2HB ASP 21 3.133 -1.208 12.612 150 H VAL 22 H VAL 22 1.337 -3.017 10.977 151 HA VAL 22 HA VAL 22 -1.465 -2.452 11.856 152 HB VAL 22 HB VAL 22 -1.025 -2.349 8.984 153 1HG1 VAL 22 1HG1 VAL 22 -1.611 -0.027 10.865 154 2HG1 VAL 22 2HG1 VAL 22 -2.077 -0.199 9.151 155 3HG1 VAL 22 3HG1 VAL 22 -2.868 -1.160 10.407 156 1HG2 VAL 22 1HG2 VAL 22 1.268 -1.665 9.482 157 2HG2 VAL 22 2HG2 VAL 22 0.327 -0.267 8.935 158 3HG2 VAL 22 3HG2 VAL 22 0.702 -0.448 10.651 159 HA PRO 23 HA PRO 23 -2.331 -6.655 10.633 160 1HB PRO 23 1HB PRO 23 -4.685 -6.732 9.305 161 2HB PRO 23 2HB PRO 23 -4.608 -6.202 11.012 162 1HG PRO 23 1HG PRO 23 -4.657 -4.479 8.523 163 2HG PRO 23 2HG PRO 23 -5.655 -4.326 9.991 164 1HD PRO 23 1HD PRO 23 -3.344 -2.928 9.479 165 2HD PRO 23 2HD PRO 23 -3.898 -3.280 11.158 166 H SER 24 H SER 24 -2.910 -8.010 8.614 167 HA SER 24 HA SER 24 -1.863 -6.806 6.150 168 1HB SER 24 1HB SER 24 -0.753 -9.016 5.652 169 2HB SER 24 2HB SER 24 -0.038 -8.154 7.026 170 HG SER 24 HG SER 24 -0.860 -10.604 6.981 171 H PHE 25 H PHE 25 -2.978 -7.580 4.301 172 HA PHE 25 HA PHE 25 -5.515 -9.066 4.821 173 1HB PHE 25 1HB PHE 25 -5.873 -6.810 4.111 174 2HB PHE 25 2HB PHE 25 -4.631 -6.950 2.863 175 HD1 PHE 25 1HD PHE 25 -8.094 -7.997 3.770 176 HD2 PHE 25 2HD PHE 25 -5.114 -7.660 0.660 177 HE1 PHE 25 1HE PHE 25 -9.835 -8.354 2.048 178 HE2 PHE 25 2HE PHE 25 -6.850 -7.987 -1.044 179 HZ PHE 25 HZ PHE 25 -9.240 -8.325 -0.355 180 H VAL 26 H VAL 26 -6.104 -10.546 3.227 181 HA VAL 26 HA VAL 26 -4.202 -11.321 1.184 182 HB VAL 26 HB VAL 26 -3.821 -12.619 3.275 183 1HG1 VAL 26 1HG1 VAL 26 -5.228 -14.488 3.851 184 2HG1 VAL 26 2HG1 VAL 26 -6.168 -12.989 3.965 185 3HG1 VAL 26 3HG1 VAL 26 -6.390 -14.075 2.577 186 1HG2 VAL 26 1HG2 VAL 26 -3.522 -14.772 2.081 187 2HG2 VAL 26 2HG2 VAL 26 -4.583 -14.195 0.780 188 3HG2 VAL 26 3HG2 VAL 26 -3.022 -13.403 1.084 189 H HIS 27 H HIS 27 -5.380 -11.519 -0.772 190 HA HIS 27 HA HIS 27 -8.106 -12.718 -0.426 191 1HB HIS 27 1HB HIS 27 -8.895 -11.489 -2.335 192 2HB HIS 27 2HB HIS 27 -8.318 -10.410 -1.088 193 HD1 HIS 27 1HD HIS 27 -8.277 -8.662 -3.252 194 HD2 HIS 27 2HD HIS 27 -5.360 -11.709 -3.102 195 HE1 HIS 27 1HE HIS 27 -6.333 -7.980 -4.780 196 H GLU 28 H GLU 28 -8.682 -13.363 -2.910 197 HA GLU 28 HA GLU 28 -6.860 -15.649 -3.446 198 1HB GLU 28 1HB GLU 28 -9.783 -15.107 -4.119 199 2HB GLU 28 2HB GLU 28 -8.927 -16.571 -4.598 200 1HG GLU 28 1HG GLU 28 -9.417 -15.658 -1.726 201 2HG GLU 28 2HG GLU 28 -10.289 -16.923 -2.581 202 H GLY 29 H GLY 29 -6.622 -12.777 -4.550 203 1HA GLY 29 1HA GLY 29 -7.135 -13.109 -7.437 204 2HA GLY 29 2HA GLY 29 -6.691 -11.614 -6.585 205 H GLY 30 H GLY 30 -5.503 -12.122 -8.937 206 1HA GLY 30 1HA GLY 30 -2.679 -12.829 -8.288 207 2HA GLY 30 2HA GLY 30 -3.390 -12.635 -9.917 208 H ASP 31 H ASP 31 -4.078 -10.538 -10.594 209 HA ASP 31 HA ASP 31 -2.971 -8.252 -9.181 210 1HB ASP 31 1HB ASP 31 -3.235 -6.943 -11.121 211 2HB ASP 31 2HB ASP 31 -2.181 -8.315 -11.457 212 H VAL 32 H VAL 32 -4.326 -6.449 -8.793 213 HA VAL 32 HA VAL 32 -6.961 -6.417 -9.600 214 HB VAL 32 HB VAL 32 -6.536 -7.911 -7.217 215 1HG1 VAL 32 1HG1 VAL 32 -8.065 -6.852 -5.595 216 2HG1 VAL 32 2HG1 VAL 32 -6.640 -5.832 -5.907 217 3HG1 VAL 32 3HG1 VAL 32 -8.201 -5.433 -6.635 218 1HG2 VAL 32 1HG2 VAL 32 -8.939 -8.342 -7.306 219 2HG2 VAL 32 2HG2 VAL 32 -9.173 -6.962 -8.407 220 3HG2 VAL 32 3HG2 VAL 32 -8.260 -8.384 -8.935 221 HA PRO 33 HA PRO 33 -5.828 -2.235 -9.101 222 1HB PRO 33 1HB PRO 33 -8.558 -1.577 -8.077 223 2HB PRO 33 2HB PRO 33 -7.658 -0.845 -9.437 224 1HG PRO 33 1HG PRO 33 -9.679 -2.587 -9.923 225 2HG PRO 33 2HG PRO 33 -8.159 -2.668 -10.875 226 1HD PRO 33 1HD PRO 33 -8.976 -4.381 -8.511 227 2HD PRO 33 2HD PRO 33 -8.245 -4.869 -10.065 228 H LEU 34 H LEU 34 -4.650 -1.070 -7.565 229 HA LEU 34 HA LEU 34 -4.706 -1.556 -4.861 230 1HB LEU 34 1HB LEU 34 -3.381 0.155 -4.473 231 2HB LEU 34 2HB LEU 34 -3.009 -0.310 -6.113 232 HG LEU 34 HG LEU 34 -4.470 2.156 -5.143 233 1HD1 LEU 34 1HD1 LEU 34 -1.998 2.145 -4.946 234 2HD1 LEU 34 2HD1 LEU 34 -1.888 1.834 -6.694 235 3HD1 LEU 34 3HD1 LEU 34 -2.555 3.359 -6.104 236 1HD2 LEU 34 1HD2 LEU 34 -5.562 1.584 -7.275 237 2HD2 LEU 34 2HD2 LEU 34 -4.419 2.901 -7.580 238 3HD2 LEU 34 3HD2 LEU 34 -3.977 1.242 -8.002 239 H VAL 35 H VAL 35 -7.028 0.236 -6.605 240 HA VAL 35 HA VAL 35 -8.384 1.449 -4.305 241 HB VAL 35 HB VAL 35 -8.185 2.703 -6.374 242 1HG1 VAL 35 1HG1 VAL 35 -9.324 2.071 -8.473 243 2HG1 VAL 35 2HG1 VAL 35 -7.993 1.003 -8.062 244 3HG1 VAL 35 3HG1 VAL 35 -9.674 0.479 -7.784 245 1HG2 VAL 35 1HG2 VAL 35 -10.274 3.088 -5.092 246 2HG2 VAL 35 2HG2 VAL 35 -10.404 3.428 -6.835 247 3HG2 VAL 35 3HG2 VAL 35 -11.098 1.942 -6.182 248 H GLU 36 H GLU 36 -8.540 -1.693 -5.544 249 HA GLU 36 HA GLU 36 -11.149 -1.991 -4.115 250 1HB GLU 36 1HB GLU 36 -9.748 -4.027 -5.874 251 2HB GLU 36 2HB GLU 36 -11.337 -4.154 -5.130 252 1HG GLU 36 1HG GLU 36 -10.469 -2.513 -7.503 253 2HG GLU 36 2HG GLU 36 -11.795 -3.658 -7.386 254 H LEU 37 H LEU 37 -7.619 -2.961 -4.135 255 HA LEU 37 HA LEU 37 -8.248 -4.965 -2.082 256 1HB LEU 37 1HB LEU 37 -5.933 -5.532 -2.096 257 2HB LEU 37 2HB LEU 37 -6.644 -5.633 -3.683 258 HG LEU 37 HG LEU 37 -5.497 -3.454 -4.289 259 1HD1 LEU 37 1HD1 LEU 37 -3.395 -2.992 -2.836 260 2HD1 LEU 37 2HD1 LEU 37 -4.917 -2.331 -2.295 261 3HD1 LEU 37 3HD1 LEU 37 -4.285 -3.807 -1.527 262 1HD2 LEU 37 1HD2 LEU 37 -4.561 -5.495 -5.058 263 2HD2 LEU 37 2HD2 LEU 37 -3.206 -4.633 -4.350 264 3HD2 LEU 37 3HD2 LEU 37 -3.971 -5.953 -3.449 265 H LEU 38 H LEU 38 -7.344 -1.528 -2.188 266 HA LEU 38 HA LEU 38 -6.386 -1.869 0.448 267 1HB LEU 38 1HB LEU 38 -5.389 0.074 0.349 268 2HB LEU 38 2HB LEU 38 -5.546 -0.137 -1.358 269 HG LEU 38 HG LEU 38 -7.403 1.510 0.413 270 1HD1 LEU 38 1HD1 LEU 38 -6.298 3.474 -0.569 271 2HD1 LEU 38 2HD1 LEU 38 -5.072 2.437 0.169 272 3HD1 LEU 38 3HD1 LEU 38 -5.273 2.427 -1.575 273 1HD2 LEU 38 1HD2 LEU 38 -8.472 2.354 -1.458 274 2HD2 LEU 38 2HD2 LEU 38 -7.237 1.669 -2.549 275 3HD2 LEU 38 3HD2 LEU 38 -8.420 0.619 -1.793 276 H VAL 39 H VAL 39 -9.355 -1.247 -1.111 277 HA VAL 39 HA VAL 39 -10.807 -0.007 1.086 278 HB VAL 39 HB VAL 39 -11.085 -0.584 -1.690 279 1HG1 VAL 39 1HG1 VAL 39 -12.552 -2.518 -1.276 280 2HG1 VAL 39 2HG1 VAL 39 -13.554 -1.542 -0.175 281 3HG1 VAL 39 3HG1 VAL 39 -13.489 -1.181 -1.914 282 1HG2 VAL 39 1HG2 VAL 39 -12.799 1.083 -1.695 283 2HG2 VAL 39 2HG2 VAL 39 -12.921 0.995 0.079 284 3HG2 VAL 39 3HG2 VAL 39 -11.406 1.521 -0.699 285 H SER 40 H SER 40 -10.444 -3.228 -0.376 286 HA SER 40 HA SER 40 -12.015 -4.606 1.540 287 1HB SER 40 1HB SER 40 -11.344 -5.223 -0.884 288 2HB SER 40 2HB SER 40 -9.810 -5.777 -0.203 289 HG SER 40 HG SER 40 -12.049 -6.727 1.103 290 H ALA 41 H ALA 41 -8.459 -3.892 1.241 291 HA ALA 41 HA ALA 41 -7.896 -5.424 3.624 292 1HB ALA 41 1HB ALA 41 -5.620 -4.465 3.380 293 2HB ALA 41 2HB ALA 41 -6.241 -5.150 1.866 294 3HB ALA 41 3HB ALA 41 -6.227 -3.410 2.086 295 H GLY 42 H GLY 42 -8.879 -2.046 3.139 296 1HA GLY 42 1HA GLY 42 -10.212 -1.134 4.872 297 2HA GLY 42 2HA GLY 42 -9.361 -2.122 6.069 298 H ILE 43 H ILE 43 -7.808 -0.311 3.532 299 HA ILE 43 HA ILE 43 -6.308 1.445 5.323 300 HB ILE 43 HB ILE 43 -6.595 1.044 2.344 301 1HG1 ILE 43 1HG1 ILE 43 -4.307 0.315 2.180 302 2HG1 ILE 43 2HG1 ILE 43 -4.010 0.572 3.865 303 1HG2 ILE 43 1HG2 ILE 43 -4.916 3.089 3.901 304 2HG2 ILE 43 2HG2 ILE 43 -4.497 2.667 2.243 305 3HG2 ILE 43 3HG2 ILE 43 -6.061 3.419 2.591 306 1HD1 ILE 43 1HD1 ILE 43 -6.023 -1.392 2.733 307 2HD1 ILE 43 2HD1 ILE 43 -4.363 -1.812 3.192 308 3HD1 ILE 43 3HD1 ILE 43 -5.515 -1.299 4.430 309 H SER 44 H SER 44 -8.971 1.678 2.738 310 HA SER 44 HA SER 44 -10.262 3.647 4.474 311 1HB SER 44 1HB SER 44 -8.960 4.455 1.922 312 2HB SER 44 2HB SER 44 -10.653 4.938 2.131 313 HG SER 44 HG SER 44 -8.397 5.730 3.510 314 HA PRO 45 HA PRO 45 -13.077 0.731 2.452 315 1HB PRO 45 1HB PRO 45 -15.031 0.608 4.325 316 2HB PRO 45 2HB PRO 45 -13.411 -0.127 4.583 317 1HG PRO 45 1HG PRO 45 -14.437 2.546 5.586 318 2HG PRO 45 2HG PRO 45 -13.561 1.280 6.503 319 1HD PRO 45 1HD PRO 45 -12.334 3.487 5.362 320 2HD PRO 45 2HD PRO 45 -11.497 1.923 5.589 321 H SER 46 H SER 46 -13.593 4.053 3.122 322 HA SER 46 HA SER 46 -16.408 4.082 2.182 323 1HB SER 46 1HB SER 46 -16.031 5.396 4.172 324 2HB SER 46 2HB SER 46 -14.715 6.250 3.347 325 HG SER 46 HG SER 46 -16.976 7.193 3.416 326 H LYS 47 H LYS 47 -16.283 3.838 -0.050 327 HA LYS 47 HA LYS 47 -13.918 4.053 -1.322 328 1HB LYS 47 1HB LYS 47 -16.056 2.825 -1.997 329 2HB LYS 47 2HB LYS 47 -16.437 4.258 -2.969 330 1HG LYS 47 1HG LYS 47 -14.386 3.967 -4.266 331 2HG LYS 47 2HG LYS 47 -13.784 2.739 -3.142 332 1HD LYS 47 1HD LYS 47 -15.630 1.206 -3.818 333 2HD LYS 47 2HD LYS 47 -16.233 2.450 -4.922 334 1HE LYS 47 1HE LYS 47 -14.972 0.977 -6.286 335 2HE LYS 47 2HE LYS 47 -13.962 2.410 -6.077 336 1HZ LYS 47 1HZ LYS 47 -13.619 -0.272 -4.868 337 2HZ LYS 47 2HZ LYS 47 -12.693 0.429 -5.856 338 3HZ LYS 47 3HZ LYS 47 -12.708 1.037 -4.344 339 H ARG 48 H ARG 48 -15.777 6.964 -0.776 340 HA ARG 48 HA ARG 48 -14.261 8.401 -2.864 341 1HB ARG 48 1HB ARG 48 -16.463 9.267 -1.989 342 2HB ARG 48 2HB ARG 48 -15.652 9.708 -0.483 343 1HG ARG 48 1HG ARG 48 -14.568 10.625 -3.189 344 2HG ARG 48 2HG ARG 48 -15.928 11.465 -2.460 345 1HD ARG 48 1HD ARG 48 -14.654 12.269 -0.631 346 2HD ARG 48 2HD ARG 48 -13.355 11.123 -0.893 347 HE ARG 48 HE ARG 48 -12.417 12.388 -2.580 348 1HH1 ARG 48 2HH2 ARG 48 -15.464 13.958 -1.691 349 2HH1 ARG 48 1HH2 ARG 48 -14.955 15.508 -2.282 350 1HH2 ARG 48 2HH1 ARG 48 -11.713 14.354 -3.170 351 2HH2 ARG 48 1HH1 ARG 48 -12.711 15.747 -3.204 352 H GLN 49 H GLN 49 -13.974 7.898 0.722 353 HA GLN 49 HA GLN 49 -11.571 9.430 0.998 354 1HB GLN 49 1HB GLN 49 -13.238 7.862 2.692 355 2HB GLN 49 2HB GLN 49 -11.709 7.035 2.693 356 1HG GLN 49 1HG GLN 49 -12.172 9.964 3.424 357 2HG GLN 49 2HG GLN 49 -12.025 8.632 4.554 358 1HE2 GLN 49 1HE2 GLN 49 -9.557 8.373 1.995 359 2HE2 GLN 49 2HE2 GLN 49 -8.289 8.914 2.996 360 H ALA 50 H ALA 50 -12.329 5.981 0.218 361 HA ALA 50 HA ALA 50 -9.732 5.126 -0.173 362 1HB ALA 50 1HB ALA 50 -11.868 4.295 -2.169 363 2HB ALA 50 2HB ALA 50 -10.449 3.427 -1.643 364 3HB ALA 50 3HB ALA 50 -11.790 3.665 -0.500 365 H ARG 51 H ARG 51 -11.840 6.568 -2.852 366 HA ARG 51 HA ARG 51 -9.559 6.407 -4.487 367 1HB ARG 51 1HB ARG 51 -12.225 7.085 -5.098 368 2HB ARG 51 2HB ARG 51 -11.222 8.453 -5.636 369 1HG ARG 51 1HG ARG 51 -9.600 6.726 -6.614 370 2HG ARG 51 2HG ARG 51 -10.819 5.499 -6.254 371 1HD ARG 51 1HD ARG 51 -12.346 6.516 -7.890 372 2HD ARG 51 2HD ARG 51 -11.188 7.791 -8.227 373 HE ARG 51 HE ARG 51 -11.197 5.112 -9.251 374 1HH1 ARG 51 2HH2 ARG 51 -8.990 7.804 -8.562 375 2HH1 ARG 51 1HH2 ARG 51 -7.622 7.112 -9.392 376 1HH2 ARG 51 2HH1 ARG 51 -9.415 4.267 -10.546 377 2HH2 ARG 51 1HH1 ARG 51 -7.943 5.169 -10.607 378 H GLU 52 H GLU 52 -10.195 8.929 -2.153 379 HA GLU 52 HA GLU 52 -7.859 10.286 -3.440 380 1HB GLU 52 1HB GLU 52 -9.784 11.264 -1.511 381 2HB GLU 52 2HB GLU 52 -8.157 11.477 -0.908 382 1HG GLU 52 1HG GLU 52 -7.728 13.190 -2.308 383 2HG GLU 52 2HG GLU 52 -8.027 12.246 -3.700 384 H ASP 53 H ASP 53 -8.334 7.974 -0.804 385 HA ASP 53 HA ASP 53 -5.693 8.213 0.196 386 1HB ASP 53 1HB ASP 53 -8.023 6.371 0.494 387 2HB ASP 53 2HB ASP 53 -6.512 5.557 0.514 388 H ILE 54 H ILE 54 -6.994 6.853 -2.741 389 HA ILE 54 HA ILE 54 -4.414 5.704 -3.365 390 HB ILE 54 HB ILE 54 -6.950 6.007 -5.069 391 1HG1 ILE 54 1HG1 ILE 54 -6.522 3.378 -5.086 392 2HG1 ILE 54 2HG1 ILE 54 -5.633 3.717 -3.593 393 1HG2 ILE 54 1HG2 ILE 54 -5.824 4.638 -6.793 394 2HG2 ILE 54 2HG2 ILE 54 -5.091 6.215 -6.593 395 3HG2 ILE 54 3HG2 ILE 54 -4.295 4.800 -5.882 396 1HD1 ILE 54 1HD1 ILE 54 -8.292 3.215 -3.583 397 2HD1 ILE 54 2HD1 ILE 54 -7.556 4.349 -2.474 398 3HD1 ILE 54 3HD1 ILE 54 -8.396 4.855 -3.987 399 H GLN 55 H GLN 55 -6.568 8.381 -4.644 400 HA GLN 55 HA GLN 55 -4.655 9.069 -6.597 401 1HB GLN 55 1HB GLN 55 -7.057 10.503 -5.422 402 2HB GLN 55 2HB GLN 55 -6.052 11.234 -6.653 403 1HG GLN 55 1HG GLN 55 -6.519 9.571 -8.270 404 2HG GLN 55 2HG GLN 55 -7.229 8.485 -7.076 405 1HE2 GLN 55 1HE2 GLN 55 -7.873 12.045 -7.574 406 2HE2 GLN 55 2HE2 GLN 55 -9.579 11.782 -7.885 407 H ASN 56 H ASN 56 -4.429 9.536 -3.249 408 HA ASN 56 HA ASN 56 -2.912 12.024 -3.644 409 1HB ASN 56 1HB ASN 56 -3.664 10.359 -1.183 410 2HB ASN 56 2HB ASN 56 -2.228 11.354 -1.082 411 1HD2 ASN 56 1HD2 ASN 56 -5.657 11.561 -1.827 412 2HD2 ASN 56 2HD2 ASN 56 -5.868 13.253 -1.358 413 H GLY 57 H GLY 57 -0.938 12.338 -3.719 414 1HA GLY 57 1HA GLY 57 0.902 10.157 -3.964 415 2HA GLY 57 2HA GLY 57 1.266 11.888 -4.081 416 H ALA 58 H ALA 58 -0.413 10.193 -1.618 417 HA ALA 58 HA ALA 58 1.853 10.208 0.279 418 1HB ALA 58 1HB ALA 58 0.360 11.999 1.016 419 2HB ALA 58 2HB ALA 58 -1.015 10.874 1.018 420 3HB ALA 58 3HB ALA 58 0.335 10.649 2.163 421 H ILE 59 H ILE 59 -0.360 8.206 -1.570 422 HA ILE 59 HA ILE 59 0.093 5.935 0.342 423 HB ILE 59 HB ILE 59 -2.009 6.143 -0.280 424 1HG1 ILE 59 1HG1 ILE 59 -1.277 4.003 0.070 425 2HG1 ILE 59 2HG1 ILE 59 -2.557 4.041 -1.147 426 1HG2 ILE 59 1HG2 ILE 59 -0.942 6.514 -3.101 427 2HG2 ILE 59 2HG2 ILE 59 -2.423 5.596 -2.929 428 3HG2 ILE 59 3HG2 ILE 59 -2.351 7.238 -2.292 429 1HD1 ILE 59 1HD1 ILE 59 0.369 3.483 -1.504 430 2HD1 ILE 59 2HD1 ILE 59 -1.039 2.523 -2.023 431 3HD1 ILE 59 3HD1 ILE 59 -0.625 3.991 -2.900 432 H TYR 60 H TYR 60 2.107 5.665 0.496 433 HA TYR 60 HA TYR 60 3.892 5.491 -1.797 434 1HB TYR 60 1HB TYR 60 4.381 5.149 1.162 435 2HB TYR 60 2HB TYR 60 5.585 5.218 -0.088 436 HD1 TYR 60 1HD TYR 60 6.350 7.373 -0.976 437 HD2 TYR 60 2HD TYR 60 3.083 7.199 1.847 438 HE1 TYR 60 1HE TYR 60 6.575 9.805 -0.554 439 HE2 TYR 60 2HE TYR 60 3.310 9.596 2.268 440 HH TYR 60 HH TYR 60 4.556 11.469 1.891 441 H VAL 61 H VAL 61 4.025 3.647 -2.851 442 HA VAL 61 HA VAL 61 3.230 1.170 -1.407 443 HB VAL 61 HB VAL 61 3.496 1.413 -4.419 444 1HG1 VAL 61 1HG1 VAL 61 2.317 -0.776 -4.308 445 2HG1 VAL 61 2HG1 VAL 61 3.844 -0.859 -3.434 446 3HG1 VAL 61 3HG1 VAL 61 2.310 -0.698 -2.547 447 1HG2 VAL 61 1HG2 VAL 61 0.880 1.102 -4.079 448 2HG2 VAL 61 2HG2 VAL 61 1.218 1.756 -2.488 449 3HG2 VAL 61 3HG2 VAL 61 1.584 2.732 -3.908 450 H ASN 62 H ASN 62 4.828 -0.114 -0.806 451 HA ASN 62 HA ASN 62 6.925 -1.081 -0.565 452 1HB ASN 62 1HB ASN 62 7.378 -0.178 -3.395 453 2HB ASN 62 2HB ASN 62 8.646 -0.810 -2.419 454 1HD2 ASN 62 1HD2 ASN 62 5.316 -1.979 -1.986 455 2HD2 ASN 62 2HD2 ASN 62 5.640 -3.508 -2.817 456 H GLY 63 H GLY 63 6.501 2.235 -1.037 457 1HA GLY 63 1HA GLY 63 7.680 3.627 0.863 458 2HA GLY 63 2HA GLY 63 9.124 3.030 0.031 459 H GLU 64 H GLU 64 6.951 3.251 -2.523 460 HA GLU 64 HA GLU 64 8.103 5.834 -3.268 461 1HB GLU 64 1HB GLU 64 8.731 3.617 -4.438 462 2HB GLU 64 2HB GLU 64 7.073 3.622 -5.029 463 1HG GLU 64 1HG GLU 64 8.236 4.668 -6.775 464 2HG GLU 64 2HG GLU 64 7.621 6.054 -5.877 465 H ARG 65 H ARG 65 6.679 7.438 -3.685 466 HA ARG 65 HA ARG 65 3.890 7.172 -3.060 467 1HB ARG 65 1HB ARG 65 4.955 9.279 -2.666 468 2HB ARG 65 2HB ARG 65 5.715 9.331 -4.247 469 1HG ARG 65 1HG ARG 65 2.719 9.410 -4.047 470 2HG ARG 65 2HG ARG 65 3.656 10.850 -3.640 471 1HD ARG 65 1HD ARG 65 4.810 10.401 -5.994 472 2HD ARG 65 2HD ARG 65 3.299 9.532 -6.293 473 HE ARG 65 HE ARG 65 2.983 12.251 -5.261 474 1HH1 ARG 65 2HH2 ARG 65 3.700 10.457 -8.260 475 2HH1 ARG 65 1HH2 ARG 65 2.735 11.488 -9.256 476 1HH2 ARG 65 2HH1 ARG 65 1.620 13.595 -6.633 477 2HH2 ARG 65 1HH1 ARG 65 1.379 13.174 -8.282 478 H LEU 66 H LEU 66 2.523 5.948 -4.354 479 HA LEU 66 HA LEU 66 2.686 6.301 -7.308 480 1HB LEU 66 1HB LEU 66 2.931 3.850 -5.670 481 2HB LEU 66 2HB LEU 66 2.485 3.876 -7.407 482 HG LEU 66 HG LEU 66 5.113 4.892 -6.265 483 1HD1 LEU 66 1HD1 LEU 66 4.818 2.502 -6.030 484 2HD1 LEU 66 2HD1 LEU 66 4.355 2.367 -7.753 485 3HD1 LEU 66 3HD1 LEU 66 6.007 2.871 -7.291 486 1HD2 LEU 66 1HD2 LEU 66 4.544 6.034 -8.394 487 2HD2 LEU 66 2HD2 LEU 66 5.876 4.905 -8.567 488 3HD2 LEU 66 3HD2 LEU 66 4.267 4.450 -9.155 489 H GLN 67 H GLN 67 0.678 7.451 -7.225 490 HA GLN 67 HA GLN 67 -1.624 6.333 -5.731 491 1HB GLN 67 1HB GLN 67 -2.563 8.689 -6.315 492 2HB GLN 67 2HB GLN 67 -1.341 8.512 -5.095 493 1HG GLN 67 1HG GLN 67 -1.433 10.517 -6.554 494 2HG GLN 67 2HG GLN 67 0.100 9.839 -6.126 495 1HE2 GLN 67 1HE2 GLN 67 1.521 9.151 -8.004 496 2HE2 GLN 67 2HE2 GLN 67 0.876 9.088 -9.621 497 H ASP 68 H ASP 68 -0.970 4.811 -8.037 498 HA ASP 68 HA ASP 68 -3.245 5.503 -9.804 499 1HB ASP 68 1HB ASP 68 -0.856 6.443 -10.477 500 2HB ASP 68 2HB ASP 68 -0.612 4.800 -11.065 501 H VAL 69 H VAL 69 -4.064 3.867 -10.979 502 HA VAL 69 HA VAL 69 -3.768 1.044 -10.131 503 HB VAL 69 HB VAL 69 -5.928 2.204 -10.601 504 1HG1 VAL 69 1HG1 VAL 69 -6.728 2.647 -12.841 505 2HG1 VAL 69 2HG1 VAL 69 -5.318 3.657 -12.500 506 3HG1 VAL 69 3HG1 VAL 69 -5.159 2.221 -13.532 507 1HG2 VAL 69 1HG2 VAL 69 -5.734 -0.247 -10.747 508 2HG2 VAL 69 2HG2 VAL 69 -6.977 0.393 -11.837 509 3HG2 VAL 69 3HG2 VAL 69 -5.404 -0.108 -12.487 510 H GLY 70 H GLY 70 -2.894 3.216 -12.778 511 1HA GLY 70 1HA GLY 70 -1.654 1.151 -14.365 512 2HA GLY 70 2HA GLY 70 -1.392 2.903 -14.524 513 H ALA 71 H ALA 71 -0.779 2.544 -11.449 514 HA ALA 71 HA ALA 71 2.119 2.052 -11.814 515 1HB ALA 71 1HB ALA 71 2.446 3.082 -9.619 516 2HB ALA 71 2HB ALA 71 1.729 4.191 -10.799 517 3HB ALA 71 3HB ALA 71 0.716 3.468 -9.527 518 H ILE 72 H ILE 72 -0.569 1.091 -9.320 519 HA ILE 72 HA ILE 72 0.808 -1.491 -9.340 520 HB ILE 72 HB ILE 72 -0.367 -0.363 -6.851 521 1HG1 ILE 72 1HG1 ILE 72 2.284 -0.057 -6.445 522 2HG1 ILE 72 2HG1 ILE 72 2.279 0.404 -8.085 523 1HG2 ILE 72 1HG2 ILE 72 1.786 -2.440 -7.476 524 2HG2 ILE 72 2HG2 ILE 72 1.274 -1.979 -5.839 525 3HG2 ILE 72 3HG2 ILE 72 0.142 -2.772 -6.896 526 1HD1 ILE 72 1HD1 ILE 72 0.850 2.307 -7.602 527 2HD1 ILE 72 2HD1 ILE 72 0.280 1.600 -6.089 528 3HD1 ILE 72 3HD1 ILE 72 1.927 2.137 -6.198 529 H LEU 73 H LEU 73 -0.411 -3.248 -9.346 530 HA LEU 73 HA LEU 73 -3.248 -3.076 -8.692 531 1HB LEU 73 1HB LEU 73 -1.840 -5.082 -10.428 532 2HB LEU 73 2HB LEU 73 -3.525 -5.115 -9.931 533 HG LEU 73 HG LEU 73 -2.319 -2.825 -11.555 534 1HD1 LEU 73 1HD1 LEU 73 -2.463 -4.948 -12.893 535 2HD1 LEU 73 2HD1 LEU 73 -4.167 -5.072 -12.445 536 3HD1 LEU 73 3HD1 LEU 73 -3.603 -3.720 -13.438 537 1HD2 LEU 73 1HD2 LEU 73 -4.160 -1.992 -10.356 538 2HD2 LEU 73 2HD2 LEU 73 -4.626 -2.220 -12.036 539 3HD2 LEU 73 3HD2 LEU 73 -5.179 -3.405 -10.842 540 H THR 74 H THR 74 -0.676 -5.660 -8.611 541 HA THR 74 HA THR 74 -1.086 -5.886 -5.687 542 HB THR 74 HB THR 74 -0.880 -8.364 -6.304 543 HG1 THR 74 1HG THR 74 -1.238 -8.826 -8.439 544 1HG2 THR 74 1HG2 THR 74 -3.205 -6.733 -7.318 545 2HG2 THR 74 2HG2 THR 74 -3.261 -8.446 -6.837 546 3HG2 THR 74 3HG2 THR 74 -2.926 -7.207 -5.645 547 H ALA 75 H ALA 75 0.752 -8.358 -6.035 548 HA ALA 75 HA ALA 75 3.111 -6.910 -5.091 549 1HB ALA 75 1HB ALA 75 3.871 -9.247 -4.517 550 2HB ALA 75 2HB ALA 75 2.387 -8.772 -3.728 551 3HB ALA 75 3HB ALA 75 2.325 -9.880 -5.124 552 H GLU 76 H GLU 76 2.205 -9.377 -7.540 553 HA GLU 76 HA GLU 76 4.998 -9.412 -8.562 554 1HB GLU 76 1HB GLU 76 3.991 -11.466 -8.619 555 2HB GLU 76 2HB GLU 76 2.453 -10.882 -9.163 556 1HG GLU 76 1HG GLU 76 4.847 -10.710 -11.026 557 2HG GLU 76 2HG GLU 76 4.063 -12.254 -10.722 558 H HIS 77 H HIS 77 2.421 -7.370 -8.745 559 HA HIS 77 HA HIS 77 3.122 -6.119 -11.312 560 1HB HIS 77 1HB HIS 77 0.778 -6.414 -10.277 561 2HB HIS 77 2HB HIS 77 1.265 -5.229 -9.077 562 HD1 HIS 77 1HD HIS 77 2.198 -2.801 -10.364 563 HD2 HIS 77 2HD HIS 77 -0.455 -5.390 -12.315 564 HE1 HIS 77 1HE HIS 77 0.695 -1.335 -11.777 565 H ARG 78 H ARG 78 4.467 -6.129 -8.098 566 HA ARG 78 HA ARG 78 5.341 -3.292 -8.379 567 1HB ARG 78 1HB ARG 78 3.406 -3.807 -6.766 568 2HB ARG 78 2HB ARG 78 4.586 -4.588 -5.760 569 1HG ARG 78 1HG ARG 78 4.041 -1.671 -6.240 570 2HG ARG 78 2HG ARG 78 4.434 -2.541 -4.797 571 1HD ARG 78 1HD ARG 78 6.264 -1.160 -5.128 572 2HD ARG 78 2HD ARG 78 6.810 -2.755 -5.714 573 HE ARG 78 HE ARG 78 5.742 -0.986 -7.767 574 1HH1 ARG 78 2HH2 ARG 78 8.645 -1.945 -5.942 575 2HH1 ARG 78 1HH2 ARG 78 9.765 -1.534 -7.189 576 1HH2 ARG 78 2HH1 ARG 78 7.210 -0.361 -9.414 577 2HH2 ARG 78 1HH1 ARG 78 8.920 -0.412 -9.129 578 H LEU 79 H LEU 79 6.009 -6.168 -6.190 579 HA LEU 79 HA LEU 79 8.857 -5.891 -6.688 580 1HB LEU 79 1HB LEU 79 8.617 -7.707 -4.751 581 2HB LEU 79 2HB LEU 79 8.656 -5.971 -4.511 582 HG LEU 79 HG LEU 79 6.000 -7.368 -4.503 583 1HD1 LEU 79 1HD1 LEU 79 7.544 -8.517 -2.850 584 2HD1 LEU 79 2HD1 LEU 79 8.076 -6.931 -2.260 585 3HD1 LEU 79 3HD1 LEU 79 6.444 -7.444 -1.940 586 1HD2 LEU 79 1HD2 LEU 79 6.895 -5.064 -2.755 587 2HD2 LEU 79 2HD2 LEU 79 6.461 -4.734 -4.428 588 3HD2 LEU 79 3HD2 LEU 79 5.273 -5.458 -3.370 589 H GLU 80 H GLU 80 9.639 -8.464 -6.330 590 HA GLU 80 HA GLU 80 9.239 -9.813 -8.756 591 1HB GLU 80 1HB GLU 80 10.585 -11.526 -7.749 592 2HB GLU 80 2HB GLU 80 11.151 -9.990 -7.079 593 1HG GLU 80 1HG GLU 80 9.553 -10.434 -5.100 594 2HG GLU 80 2HG GLU 80 9.323 -12.049 -5.750 595 H GLY 81 H GLY 81 6.830 -9.490 -6.432 596 1HA GLY 81 1HA GLY 81 4.760 -10.583 -6.401 597 2HA GLY 81 2HA GLY 81 5.505 -11.970 -7.193 598 H ARG 82 H ARG 82 5.446 -10.128 -4.162 599 HA ARG 82 HA ARG 82 5.331 -12.763 -2.783 600 1HB ARG 82 1HB ARG 82 7.118 -10.535 -1.726 601 2HB ARG 82 2HB ARG 82 6.698 -12.052 -0.916 602 1HG ARG 82 1HG ARG 82 7.735 -13.232 -2.985 603 2HG ARG 82 2HG ARG 82 8.442 -11.648 -3.352 604 1HD ARG 82 1HD ARG 82 9.490 -11.625 -1.085 605 2HD ARG 82 2HD ARG 82 8.748 -13.210 -0.760 606 HE ARG 82 HE ARG 82 10.593 -12.848 -3.066 607 1HH1 ARG 82 2HH2 ARG 82 9.938 -14.626 -0.015 608 2HH1 ARG 82 1HH2 ARG 82 11.286 -15.664 -0.250 609 1HH2 ARG 82 2HH1 ARG 82 12.227 -14.131 -3.334 610 2HH2 ARG 82 1HH1 ARG 82 12.705 -15.325 -2.130 611 H PHE 83 H PHE 83 5.154 -9.246 -2.146 612 HA PHE 83 HA PHE 83 2.498 -9.437 -0.910 613 1HB PHE 83 1HB PHE 83 5.070 -8.430 0.432 614 2HB PHE 83 2HB PHE 83 3.465 -8.037 1.005 615 HD1 PHE 83 1HD PHE 83 2.014 -9.677 2.060 616 HD2 PHE 83 2HD PHE 83 6.046 -10.659 0.896 617 HE1 PHE 83 1HE PHE 83 2.034 -11.525 3.700 618 HE2 PHE 83 2HE PHE 83 5.982 -12.628 2.424 619 HZ PHE 83 HZ PHE 83 4.013 -13.016 3.851 620 H THR 84 H THR 84 2.094 -6.865 -0.293 621 HA THR 84 HA THR 84 3.921 -5.094 -1.687 622 HB THR 84 HB THR 84 1.451 -5.763 -2.924 623 HG1 THR 84 1HG THR 84 2.352 -4.707 -4.516 624 1HG2 THR 84 1HG2 THR 84 0.423 -3.573 -3.330 625 2HG2 THR 84 2HG2 THR 84 0.302 -3.948 -1.611 626 3HG2 THR 84 3HG2 THR 84 1.525 -2.802 -2.173 627 H VAL 85 H VAL 85 3.657 -2.878 -0.670 628 HA VAL 85 HA VAL 85 2.469 -3.013 2.061 629 HB VAL 85 HB VAL 85 5.231 -2.039 1.203 630 1HG1 VAL 85 1HG1 VAL 85 4.285 -0.439 2.861 631 2HG1 VAL 85 2HG1 VAL 85 3.956 -1.794 3.967 632 3HG1 VAL 85 3HG1 VAL 85 5.621 -1.364 3.520 633 1HG2 VAL 85 1HG2 VAL 85 4.308 -4.208 3.136 634 2HG2 VAL 85 2HG2 VAL 85 5.144 -4.454 1.584 635 3HG2 VAL 85 3HG2 VAL 85 5.977 -3.662 2.921 636 H ILE 86 H ILE 86 1.347 -1.224 2.552 637 HA ILE 86 HA ILE 86 1.140 0.947 0.530 638 HB ILE 86 HB ILE 86 -0.935 -0.606 2.142 639 1HG1 ILE 86 1HG1 ILE 86 -0.157 -1.721 0.017 640 2HG1 ILE 86 2HG1 ILE 86 -1.876 -1.325 0.021 641 1HG2 ILE 86 1HG2 ILE 86 -1.787 1.635 2.161 642 2HG2 ILE 86 2HG2 ILE 86 -1.229 1.923 0.507 643 3HG2 ILE 86 3HG2 ILE 86 -2.617 0.866 0.800 644 1HD1 ILE 86 1HD1 ILE 86 -1.578 0.536 -1.437 645 2HD1 ILE 86 2HD1 ILE 86 0.174 0.522 -1.220 646 3HD1 ILE 86 3HD1 ILE 86 -0.600 -0.766 -2.141 647 H ARG 87 H ARG 87 2.217 2.553 1.523 648 HA ARG 87 HA ARG 87 1.676 3.112 4.408 649 1HB ARG 87 1HB ARG 87 3.930 3.551 2.544 650 2HB ARG 87 2HB ARG 87 3.402 5.077 3.245 651 1HG ARG 87 1HG ARG 87 3.775 4.059 5.518 652 2HG ARG 87 2HG ARG 87 4.593 2.729 4.626 653 1HD ARG 87 1HD ARG 87 5.876 4.544 3.353 654 2HD ARG 87 2HD ARG 87 5.194 5.724 4.490 655 HE ARG 87 HE ARG 87 6.701 3.469 5.621 656 1HH1 ARG 87 2HH2 ARG 87 7.048 6.638 4.072 657 2HH1 ARG 87 1HH2 ARG 87 8.649 6.894 4.638 658 1HH2 ARG 87 2HH1 ARG 87 8.663 3.957 6.683 659 2HH2 ARG 87 1HH1 ARG 87 9.548 5.395 6.266 660 H ARG 88 H ARG 88 -0.571 3.872 4.050 661 HA ARG 88 HA ARG 88 -0.748 6.272 2.261 662 1HB ARG 88 1HB ARG 88 -2.779 5.009 2.203 663 2HB ARG 88 2HB ARG 88 -2.849 4.917 3.962 664 1HG ARG 88 1HG ARG 88 -4.414 6.597 3.215 665 2HG ARG 88 2HG ARG 88 -3.148 7.383 4.100 666 1HD ARG 88 1HD ARG 88 -2.278 7.453 1.398 667 2HD ARG 88 2HD ARG 88 -3.991 7.718 1.297 668 HE ARG 88 HE ARG 88 -1.932 9.456 2.539 669 1HH1 ARG 88 2HH2 ARG 88 -5.476 9.202 1.899 670 2HH1 ARG 88 1HH2 ARG 88 -5.595 10.909 1.672 671 1HH2 ARG 88 2HH1 ARG 88 -2.429 11.707 2.792 672 2HH2 ARG 88 1HH1 ARG 88 -3.969 12.265 2.191 673 H GLY 89 H GLY 89 0.210 8.066 3.112 674 1HA GLY 89 1HA GLY 89 1.190 8.361 5.672 675 2HA GLY 89 2HA GLY 89 0.851 9.698 4.580 676 H LYS 90 H LYS 90 -2.116 8.922 4.685 677 HA LYS 90 HA LYS 90 -2.902 10.397 7.098 678 1HB LYS 90 1HB LYS 90 -3.877 10.930 4.973 679 2HB LYS 90 2HB LYS 90 -4.399 9.269 4.689 680 1HG LYS 90 1HG LYS 90 -5.395 10.650 7.141 681 2HG LYS 90 2HG LYS 90 -5.999 11.233 5.595 682 1HD LYS 90 1HD LYS 90 -7.244 9.371 5.159 683 2HD LYS 90 2HD LYS 90 -6.079 8.264 5.864 684 1HE LYS 90 1HE LYS 90 -8.188 8.318 7.152 685 2HE LYS 90 2HE LYS 90 -6.752 8.745 8.098 686 1HZ LYS 90 1HZ LYS 90 -8.791 10.614 7.096 687 2HZ LYS 90 2HZ LYS 90 -8.367 10.239 8.685 688 3HZ LYS 90 3HZ LYS 90 -7.349 11.090 7.764 689 H LYS 91 H LYS 91 -2.009 7.233 6.634 690 HA LYS 91 HA LYS 91 -3.313 6.431 9.060 691 1HB LYS 91 1HB LYS 91 -4.840 5.790 6.978 692 2HB LYS 91 2HB LYS 91 -3.618 4.568 6.666 693 1HG LYS 91 1HG LYS 91 -5.302 3.520 7.960 694 2HG LYS 91 2HG LYS 91 -3.978 3.822 9.104 695 1HD LYS 91 1HD LYS 91 -5.410 5.996 9.649 696 2HD LYS 91 2HD LYS 91 -6.698 5.134 8.808 697 1HE LYS 91 1HE LYS 91 -5.230 4.385 11.353 698 2HE LYS 91 2HE LYS 91 -6.959 4.656 11.142 699 1HZ LYS 91 1HZ LYS 91 -6.898 2.526 9.769 700 2HZ LYS 91 2HZ LYS 91 -5.344 2.351 10.258 701 3HZ LYS 91 3HZ LYS 91 -6.497 2.350 11.384 702 H LYS 92 H LYS 92 -2.094 3.564 7.828 703 HA LYS 92 HA LYS 92 0.686 4.314 8.389 704 1HB LYS 92 1HB LYS 92 -0.928 3.193 10.248 705 2HB LYS 92 2HB LYS 92 -0.486 1.748 9.383 706 1HG LYS 92 1HG LYS 92 1.193 1.818 10.950 707 2HG LYS 92 2HG LYS 92 2.008 2.730 9.689 708 1HD LYS 92 1HD LYS 92 0.413 4.015 11.954 709 2HD LYS 92 2HD LYS 92 2.123 3.601 12.047 710 1HE LYS 92 1HE LYS 92 2.376 5.066 9.892 711 2HE LYS 92 2HE LYS 92 0.791 5.724 10.349 712 1HZ LYS 92 1HZ LYS 92 1.775 6.388 12.472 713 2HZ LYS 92 2HZ LYS 92 3.210 5.704 12.066 714 3HZ LYS 92 3HZ LYS 92 2.682 7.005 11.239 715 H TYR 93 H TYR 93 1.444 1.645 8.210 716 HA TYR 93 HA TYR 93 1.670 1.206 5.309 717 1HB TYR 93 1HB TYR 93 3.457 -0.529 6.506 718 2HB TYR 93 2HB TYR 93 3.783 0.931 5.672 719 HD1 TYR 93 1HD TYR 93 2.977 -0.376 9.085 720 HD2 TYR 93 2HD TYR 93 5.127 2.542 6.784 721 HE1 TYR 93 1HE TYR 93 4.024 0.463 11.146 722 HE2 TYR 93 2HE TYR 93 6.192 3.397 8.796 723 HH TYR 93 HH TYR 93 5.332 2.194 12.084 724 H TYR 94 H TYR 94 -0.393 0.074 4.985 725 HA TYR 94 HA TYR 94 -0.872 -2.403 6.586 726 1HB TYR 94 1HB TYR 94 -2.165 -1.056 4.194 727 2HB TYR 94 2HB TYR 94 -2.642 -2.582 4.824 728 HD1 TYR 94 1HD TYR 94 -2.330 1.010 5.769 729 HD2 TYR 94 2HD TYR 94 -4.206 -2.785 6.607 730 HE1 TYR 94 1HE TYR 94 -4.049 2.152 7.047 731 HE2 TYR 94 2HE TYR 94 -5.970 -1.641 7.896 732 HH TYR 94 HH TYR 94 -7.012 0.639 7.766 733 H LEU 95 H LEU 95 -1.170 -4.321 5.330 734 HA LEU 95 HA LEU 95 1.129 -4.673 3.489 735 1HB LEU 95 1HB LEU 95 1.411 -5.117 5.985 736 2HB LEU 95 2HB LEU 95 0.375 -6.517 5.745 737 HG LEU 95 HG LEU 95 3.153 -5.928 4.703 738 1HD1 LEU 95 1HD1 LEU 95 2.899 -6.928 6.968 739 2HD1 LEU 95 2HD1 LEU 95 2.020 -8.301 6.259 740 3HD1 LEU 95 3HD1 LEU 95 3.712 -8.027 5.852 741 1HD2 LEU 95 1HD2 LEU 95 1.313 -8.148 3.748 742 2HD2 LEU 95 2HD2 LEU 95 2.157 -6.901 2.768 743 3HD2 LEU 95 3HD2 LEU 95 3.084 -8.151 3.576 744 H ILE 96 H ILE 96 0.620 -5.937 1.825 745 HA ILE 96 HA ILE 96 -2.199 -6.977 1.643 746 HB ILE 96 HB ILE 96 -0.505 -5.477 -0.348 747 1HG1 ILE 96 1HG1 ILE 96 -1.223 -3.868 1.350 748 2HG1 ILE 96 2HG1 ILE 96 -2.065 -3.578 -0.158 749 1HG2 ILE 96 1HG2 ILE 96 -2.003 -6.972 -1.540 750 2HG2 ILE 96 2HG2 ILE 96 -3.397 -6.298 -0.686 751 3HG2 ILE 96 3HG2 ILE 96 -2.437 -5.292 -1.797 752 1HD1 ILE 96 1HD1 ILE 96 -4.093 -4.698 0.738 753 2HD1 ILE 96 2HD1 ILE 96 -3.245 -4.959 2.280 754 3HD1 ILE 96 3HD1 ILE 96 -3.568 -3.317 1.705 755 H ARG 97 H ARG 97 -2.234 -9.073 1.272 756 HA ARG 97 HA ARG 97 -0.468 -10.135 -0.838 757 1HB ARG 97 1HB ARG 97 -0.020 -10.841 1.735 758 2HB ARG 97 2HB ARG 97 -1.135 -12.108 1.295 759 1HG ARG 97 1HG ARG 97 0.478 -12.345 -0.832 760 2HG ARG 97 2HG ARG 97 1.560 -11.370 0.137 761 1HD ARG 97 1HD ARG 97 1.355 -13.126 1.953 762 2HD ARG 97 2HD ARG 97 0.380 -14.094 0.827 763 HE ARG 97 HE ARG 97 2.739 -13.314 -0.510 764 1HH1 ARG 97 2HH2 ARG 97 1.938 -15.383 2.322 765 2HH1 ARG 97 1HH2 ARG 97 3.351 -16.390 2.053 766 1HH2 ARG 97 2HH1 ARG 97 4.429 -14.905 -0.879 767 2HH2 ARG 97 1HH1 ARG 97 4.721 -16.048 0.411 768 H TYR 98 H TYR 98 -1.063 -12.416 -1.339 769 HA TYR 98 HA TYR 98 -3.812 -12.853 -2.056 770 1HB TYR 98 1HB TYR 98 -1.806 -13.775 -3.990 771 2HB TYR 98 2HB TYR 98 -3.231 -12.765 -4.119 772 HD1 TYR 98 1HD TYR 98 0.395 -12.542 -3.242 773 HD2 TYR 98 2HD TYR 98 -3.154 -10.456 -4.480 774 HE1 TYR 98 1HE TYR 98 1.460 -10.423 -2.681 775 HE2 TYR 98 2HE TYR 98 -2.112 -8.290 -3.903 776 HH TYR 98 HH TYR 98 0.374 -8.021 -1.830 777 H ALA 99 H ALA 99 -4.323 -15.031 -2.028 778 HA ALA 99 HA ALA 99 -2.732 -16.691 -0.337 779 1HB ALA 99 1HB ALA 99 -4.754 -18.142 -0.354 780 2HB ALA 99 2HB ALA 99 -5.174 -16.460 0.000 781 3HB ALA 99 3HB ALA 99 -5.458 -17.118 -1.624 Start of MODEL 6 1 1H ALA 1 1H ALA 1 19.675 -8.402 2.879 2 2H ALA 1 2H ALA 1 18.182 -8.710 3.501 3 3H ALA 1 3H ALA 1 18.872 -9.751 2.418 4 HA ALA 1 HA ALA 1 17.215 -8.484 1.301 5 1HB ALA 1 1HB ALA 1 17.205 -6.509 2.727 6 2HB ALA 1 2HB ALA 1 18.870 -6.102 2.237 7 3HB ALA 1 3HB ALA 1 17.554 -6.032 1.054 8 H LEU 2 H LEU 2 17.504 -8.166 -0.951 9 HA LEU 2 HA LEU 2 20.320 -8.259 -1.949 10 1HB LEU 2 1HB LEU 2 17.810 -9.288 -3.319 11 2HB LEU 2 2HB LEU 2 19.458 -9.404 -3.915 12 HG LEU 2 HG LEU 2 18.320 -10.846 -1.489 13 1HD1 LEU 2 1HD1 LEU 2 17.529 -11.653 -3.707 14 2HD1 LEU 2 2HD1 LEU 2 19.216 -11.928 -4.189 15 3HD1 LEU 2 3HD1 LEU 2 18.509 -12.840 -2.837 16 1HD2 LEU 2 1HD2 LEU 2 20.477 -12.108 -1.521 17 2HD2 LEU 2 2HD2 LEU 2 21.115 -10.951 -2.703 18 3HD2 LEU 2 3HD2 LEU 2 20.678 -10.420 -1.065 19 H PHE 3 H PHE 3 20.430 -7.272 -4.217 20 HA PHE 3 HA PHE 3 18.586 -4.934 -4.517 21 1HB PHE 3 1HB PHE 3 21.401 -5.357 -5.603 22 2HB PHE 3 2HB PHE 3 20.338 -4.033 -6.036 23 HD1 PHE 3 1HD PHE 3 22.385 -5.480 -3.338 24 HD2 PHE 3 2HD PHE 3 19.991 -2.128 -4.561 25 HE1 PHE 3 1HE PHE 3 23.382 -4.111 -1.506 26 HE2 PHE 3 2HE PHE 3 20.947 -0.770 -2.725 27 HZ PHE 3 HZ PHE 3 22.677 -1.745 -1.216 28 H SER 4 H SER 4 17.361 -4.910 -6.342 29 HA SER 4 HA SER 4 18.148 -6.370 -8.726 30 1HB SER 4 1HB SER 4 15.342 -6.480 -7.508 31 2HB SER 4 2HB SER 4 15.779 -7.023 -9.133 32 HG SER 4 HG SER 4 17.332 -8.439 -8.083 33 H GLY 5 H GLY 5 16.293 -5.362 -10.456 34 1HA GLY 5 1HA GLY 5 16.608 -2.481 -10.407 35 2HA GLY 5 2HA GLY 5 15.619 -3.444 -11.518 36 H ASP 6 H ASP 6 14.112 -4.886 -9.541 37 HA ASP 6 HA ASP 6 12.283 -2.835 -8.490 38 1HB ASP 6 1HB ASP 6 12.231 -5.819 -7.969 39 2HB ASP 6 2HB ASP 6 10.949 -4.660 -7.643 40 H ILE 7 H ILE 7 11.709 -3.035 -6.209 41 HA ILE 7 HA ILE 7 13.921 -3.002 -4.366 42 HB ILE 7 HB ILE 7 11.918 -2.892 -2.730 43 1HG1 ILE 7 1HG1 ILE 7 9.883 -1.865 -3.614 44 2HG1 ILE 7 2HG1 ILE 7 10.512 -1.838 -5.241 45 1HG2 ILE 7 1HG2 ILE 7 12.690 -0.734 -4.674 46 2HG2 ILE 7 2HG2 ILE 7 11.721 -0.427 -3.208 47 3HG2 ILE 7 3HG2 ILE 7 13.358 -1.066 -3.061 48 1HD1 ILE 7 1HD1 ILE 7 8.787 -3.520 -5.013 49 2HD1 ILE 7 2HD1 ILE 7 10.308 -4.310 -5.405 50 3HD1 ILE 7 3HD1 ILE 7 9.686 -4.361 -3.753 51 H ALA 8 H ALA 8 14.761 -5.057 -4.704 52 HA ALA 8 HA ALA 8 13.504 -7.418 -3.471 53 1HB ALA 8 1HB ALA 8 16.381 -6.840 -4.285 54 2HB ALA 8 2HB ALA 8 15.766 -8.393 -3.657 55 3HB ALA 8 3HB ALA 8 15.171 -7.752 -5.195 56 H ASN 9 H ASN 9 14.731 -4.516 -2.396 57 HA ASN 9 HA ASN 9 15.617 -5.329 0.278 58 1HB ASN 9 1HB ASN 9 15.200 -2.741 -1.214 59 2HB ASN 9 2HB ASN 9 15.016 -2.680 0.531 60 1HD2 ASN 9 1HD2 ASN 9 17.349 -4.524 -1.607 61 2HD2 ASN 9 2HD2 ASN 9 18.721 -3.933 -0.720 62 H LEU 10 H LEU 10 12.621 -4.571 -1.343 63 HA LEU 10 HA LEU 10 11.060 -4.623 1.222 64 1HB LEU 10 1HB LEU 10 10.509 -4.229 -1.712 65 2HB LEU 10 2HB LEU 10 9.238 -4.607 -0.628 66 HG LEU 10 HG LEU 10 9.642 -2.261 -1.194 67 1HD1 LEU 10 1HD1 LEU 10 9.126 -1.360 1.123 68 2HD1 LEU 10 2HD1 LEU 10 8.129 -2.703 0.590 69 3HD1 LEU 10 3HD1 LEU 10 9.453 -2.994 1.731 70 1HD2 LEU 10 1HD2 LEU 10 12.098 -1.991 -0.834 71 2HD2 LEU 10 2HD2 LEU 10 11.116 -0.809 0.008 72 3HD2 LEU 10 3HD2 LEU 10 11.814 -2.166 0.899 73 H THR 11 H THR 11 12.417 -6.839 1.566 74 HA THR 11 HA THR 11 11.624 -8.961 -0.224 75 HB THR 11 HB THR 11 12.881 -9.577 2.368 76 HG1 THR 11 1HG THR 11 14.327 -8.063 0.418 77 1HG2 THR 11 1HG2 THR 11 13.702 -10.156 -0.509 78 2HG2 THR 11 2HG2 THR 11 14.378 -10.910 0.955 79 3HG2 THR 11 3HG2 THR 11 12.695 -11.195 0.528 80 H ALA 12 H ALA 12 10.693 -10.853 0.915 81 HA ALA 12 HA ALA 12 8.156 -10.148 1.963 82 1HB ALA 12 1HB ALA 12 9.726 -12.792 1.783 83 2HB ALA 12 2HB ALA 12 8.122 -12.752 2.491 84 3HB ALA 12 3HB ALA 12 8.353 -12.286 0.780 85 H ALA 13 H ALA 13 10.876 -11.596 3.740 86 HA ALA 13 HA ALA 13 9.288 -11.462 6.206 87 1HB ALA 13 1HB ALA 13 12.307 -11.805 6.030 88 2HB ALA 13 2HB ALA 13 11.235 -12.187 7.391 89 3HB ALA 13 3HB ALA 13 11.144 -13.146 5.915 90 H GLU 14 H GLU 14 11.080 -9.171 4.270 91 HA GLU 14 HA GLU 14 11.919 -7.497 6.455 92 1HB GLU 14 1HB GLU 14 12.871 -7.883 3.927 93 2HB GLU 14 2HB GLU 14 11.695 -6.647 3.548 94 1HG GLU 14 1HG GLU 14 13.422 -5.242 4.060 95 2HG GLU 14 2HG GLU 14 12.845 -5.428 5.700 96 H ILE 15 H ILE 15 9.276 -7.677 3.987 97 HA ILE 15 HA ILE 15 8.034 -5.230 4.966 98 HB ILE 15 HB ILE 15 7.417 -7.395 2.927 99 1HG1 ILE 15 1HG1 ILE 15 7.210 -4.362 2.732 100 2HG1 ILE 15 2HG1 ILE 15 8.745 -5.202 2.538 101 1HG2 ILE 15 1HG2 ILE 15 5.264 -7.201 4.039 102 2HG2 ILE 15 2HG2 ILE 15 5.326 -5.427 3.958 103 3HG2 ILE 15 3HG2 ILE 15 5.156 -6.391 2.490 104 1HD1 ILE 15 1HD1 ILE 15 7.413 -4.655 0.387 105 2HD1 ILE 15 2HD1 ILE 15 8.082 -6.287 0.550 106 3HD1 ILE 15 3HD1 ILE 15 6.355 -5.966 0.792 107 H GLU 16 H GLU 16 7.362 -8.785 5.328 108 HA GLU 16 HA GLU 16 5.116 -8.312 6.961 109 1HB GLU 16 1HB GLU 16 7.115 -10.571 7.068 110 2HB GLU 16 2HB GLU 16 5.634 -10.487 8.046 111 1HG GLU 16 1HG GLU 16 4.395 -10.203 5.771 112 2HG GLU 16 2HG GLU 16 5.873 -10.831 5.039 113 H GLN 17 H GLN 17 8.633 -8.490 8.016 114 HA GLN 17 HA GLN 17 7.782 -8.172 10.802 115 1HB GLN 17 1HB GLN 17 9.796 -9.464 9.963 116 2HB GLN 17 2HB GLN 17 10.488 -7.894 9.532 117 1HG GLN 17 1HG GLN 17 11.470 -8.423 11.550 118 2HG GLN 17 2HG GLN 17 10.201 -7.295 12.022 119 1HE2 GLN 17 1HE2 GLN 17 11.370 -10.586 12.171 120 2HE2 GLN 17 2HE2 GLN 17 10.160 -11.207 13.307 121 H GLY 18 H GLY 18 8.746 -6.166 8.047 122 1HA GLY 18 1HA GLY 18 9.665 -3.875 9.402 123 2HA GLY 18 2HA GLY 18 9.042 -3.959 7.739 124 H PHE 19 H PHE 19 6.514 -5.115 8.333 125 HA PHE 19 HA PHE 19 5.167 -2.765 9.584 126 1HB PHE 19 1HB PHE 19 4.451 -4.400 7.136 127 2HB PHE 19 2HB PHE 19 3.584 -2.985 7.741 128 HD1 PHE 19 1HD PHE 19 6.114 -4.014 5.468 129 HD2 PHE 19 2HD PHE 19 5.223 -0.904 8.273 130 HE1 PHE 19 1HE PHE 19 7.983 -2.674 4.553 131 HE2 PHE 19 2HE PHE 19 7.063 0.493 7.310 132 HZ PHE 19 HZ PHE 19 8.454 -0.409 5.489 133 H LYS 20 H LYS 20 5.838 -5.617 10.632 134 HA LYS 20 HA LYS 20 3.461 -6.946 11.087 135 1HB LYS 20 1HB LYS 20 4.645 -8.261 12.659 136 2HB LYS 20 2HB LYS 20 5.854 -7.739 11.548 137 1HG LYS 20 1HG LYS 20 7.094 -6.965 13.194 138 2HG LYS 20 2HG LYS 20 5.881 -5.744 13.569 139 1HD LYS 20 1HD LYS 20 4.699 -7.431 15.026 140 2HD LYS 20 2HD LYS 20 5.972 -8.606 14.626 141 1HE LYS 20 1HE LYS 20 7.633 -6.794 15.471 142 2HE LYS 20 2HE LYS 20 6.212 -5.992 16.152 143 1HZ LYS 20 1HZ LYS 20 7.304 -8.637 16.819 144 2HZ LYS 20 2HZ LYS 20 7.094 -7.327 17.824 145 3HZ LYS 20 3HZ LYS 20 5.796 -8.203 17.295 146 H ASP 21 H ASP 21 4.152 -4.013 12.317 147 HA ASP 21 HA ASP 21 2.629 -4.108 14.849 148 1HB ASP 21 1HB ASP 21 4.517 -2.556 14.630 149 2HB ASP 21 2HB ASP 21 3.769 -1.798 13.222 150 H VAL 22 H VAL 22 1.878 -3.595 11.412 151 HA VAL 22 HA VAL 22 -0.739 -2.439 12.151 152 HB VAL 22 HB VAL 22 0.008 -1.977 9.410 153 1HG1 VAL 22 1HG1 VAL 22 -0.688 0.150 9.798 154 2HG1 VAL 22 2HG1 VAL 22 -1.594 -0.694 11.043 155 3HG1 VAL 22 3HG1 VAL 22 -0.142 0.180 11.508 156 1HG2 VAL 22 1HG2 VAL 22 1.819 -0.293 9.705 157 2HG2 VAL 22 2HG2 VAL 22 2.070 -0.853 11.362 158 3HG2 VAL 22 3HG2 VAL 22 2.375 -1.936 9.979 159 HA PRO 23 HA PRO 23 -2.361 -6.043 10.576 160 1HB PRO 23 1HB PRO 23 -4.841 -5.527 9.687 161 2HB PRO 23 2HB PRO 23 -4.361 -5.034 11.341 162 1HG PRO 23 1HG PRO 23 -4.341 -3.335 8.818 163 2HG PRO 23 2HG PRO 23 -5.099 -2.967 10.398 164 1HD PRO 23 1HD PRO 23 -2.579 -2.108 9.686 165 2HD PRO 23 2HD PRO 23 -3.018 -2.478 11.386 166 H SER 24 H SER 24 -3.513 -7.187 8.727 167 HA SER 24 HA SER 24 -2.333 -6.324 6.168 168 1HB SER 24 1HB SER 24 -1.502 -8.545 5.701 169 2HB SER 24 2HB SER 24 -0.866 -8.023 7.269 170 HG SER 24 HG SER 24 -2.184 -9.408 8.310 171 H PHE 25 H PHE 25 -3.298 -7.595 4.224 172 HA PHE 25 HA PHE 25 -5.862 -8.949 4.788 173 1HB PHE 25 1HB PHE 25 -6.423 -6.740 4.081 174 2HB PHE 25 2HB PHE 25 -5.173 -6.763 2.833 175 HD1 PHE 25 1HD PHE 25 -5.497 -7.626 0.653 176 HD2 PHE 25 2HD PHE 25 -8.577 -8.046 3.657 177 HE1 PHE 25 1HE PHE 25 -7.130 -8.202 -1.102 178 HE2 PHE 25 2HE PHE 25 -10.209 -8.617 1.878 179 HZ PHE 25 HZ PHE 25 -9.493 -8.714 -0.490 180 H VAL 26 H VAL 26 -6.303 -10.479 3.104 181 HA VAL 26 HA VAL 26 -4.120 -11.086 1.297 182 HB VAL 26 HB VAL 26 -3.818 -12.257 3.481 183 1HG1 VAL 26 1HG1 VAL 26 -5.937 -14.141 2.449 184 2HG1 VAL 26 2HG1 VAL 26 -5.010 -14.249 3.958 185 3HG1 VAL 26 3HG1 VAL 26 -6.209 -12.954 3.750 186 1HG2 VAL 26 1HG2 VAL 26 -2.969 -14.290 2.388 187 2HG2 VAL 26 2HG2 VAL 26 -4.011 -14.001 0.983 188 3HG2 VAL 26 3HG2 VAL 26 -2.664 -12.902 1.354 189 H HIS 27 H HIS 27 -4.988 -11.328 -0.772 190 HA HIS 27 HA HIS 27 -7.675 -12.681 -0.851 191 1HB HIS 27 1HB HIS 27 -8.185 -11.474 -2.866 192 2HB HIS 27 2HB HIS 27 -7.912 -10.440 -1.498 193 HD1 HIS 27 1HD HIS 27 -7.733 -9.170 -4.206 194 HD2 HIS 27 2HD HIS 27 -4.445 -11.027 -2.388 195 HE1 HIS 27 1HE HIS 27 -5.651 -7.998 -5.031 196 H GLU 28 H GLU 28 -7.822 -13.143 -3.501 197 HA GLU 28 HA GLU 28 -6.808 -15.825 -3.368 198 1HB GLU 28 1HB GLU 28 -8.606 -14.445 -5.406 199 2HB GLU 28 2HB GLU 28 -8.474 -16.192 -5.127 200 1HG GLU 28 1HG GLU 28 -9.521 -16.021 -2.973 201 2HG GLU 28 2HG GLU 28 -9.451 -14.269 -2.976 202 H GLY 29 H GLY 29 -5.038 -13.510 -4.422 203 1HA GLY 29 1HA GLY 29 -3.443 -13.173 -6.140 204 2HA GLY 29 2HA GLY 29 -3.688 -14.855 -6.636 205 H GLY 30 H GLY 30 -3.396 -13.407 -8.793 206 1HA GLY 30 1HA GLY 30 -4.465 -12.893 -10.774 207 2HA GLY 30 2HA GLY 30 -6.042 -12.876 -9.959 208 H ASP 31 H ASP 31 -4.261 -10.783 -11.578 209 HA ASP 31 HA ASP 31 -3.501 -8.812 -9.731 210 1HB ASP 31 1HB ASP 31 -3.049 -7.402 -11.521 211 2HB ASP 31 2HB ASP 31 -2.702 -9.032 -12.106 212 H VAL 32 H VAL 32 -4.419 -6.578 -9.359 213 HA VAL 32 HA VAL 32 -7.261 -6.326 -9.601 214 HB VAL 32 HB VAL 32 -6.356 -7.960 -7.461 215 1HG1 VAL 32 1HG1 VAL 32 -6.077 -6.007 -6.049 216 2HG1 VAL 32 2HG1 VAL 32 -7.706 -5.421 -6.458 217 3HG1 VAL 32 3HG1 VAL 32 -7.517 -6.910 -5.531 218 1HG2 VAL 32 1HG2 VAL 32 -8.438 -8.253 -8.787 219 2HG2 VAL 32 2HG2 VAL 32 -8.696 -8.326 -7.042 220 3HG2 VAL 32 3HG2 VAL 32 -9.139 -6.864 -7.939 221 HA PRO 33 HA PRO 33 -5.472 -2.464 -9.132 222 1HB PRO 33 1HB PRO 33 -7.576 -0.781 -9.107 223 2HB PRO 33 2HB PRO 33 -7.246 -1.833 -10.504 224 1HG PRO 33 1HG PRO 33 -9.190 -2.372 -8.250 225 2HG PRO 33 2HG PRO 33 -9.499 -2.482 -10.016 226 1HD PRO 33 1HD PRO 33 -8.798 -4.672 -8.462 227 2HD PRO 33 2HD PRO 33 -8.295 -4.529 -10.168 228 H LEU 34 H LEU 34 -4.748 -1.006 -7.719 229 HA LEU 34 HA LEU 34 -4.827 -1.340 -5.029 230 1HB LEU 34 1HB LEU 34 -3.676 0.498 -4.690 231 2HB LEU 34 2HB LEU 34 -3.214 -0.116 -6.259 232 HG LEU 34 HG LEU 34 -4.716 2.355 -5.523 233 1HD1 LEU 34 1HD1 LEU 34 -2.283 2.447 -5.574 234 2HD1 LEU 34 2HD1 LEU 34 -2.272 1.808 -7.237 235 3HD1 LEU 34 3HD1 LEU 34 -2.920 3.415 -6.909 236 1HD2 LEU 34 1HD2 LEU 34 -6.069 1.731 -7.415 237 2HD2 LEU 34 2HD2 LEU 34 -4.880 2.839 -8.057 238 3HD2 LEU 34 3HD2 LEU 34 -4.655 1.092 -8.278 239 H VAL 35 H VAL 35 -7.313 0.361 -6.859 240 HA VAL 35 HA VAL 35 -8.677 1.396 -4.541 241 HB VAL 35 HB VAL 35 -8.802 2.295 -6.912 242 1HG1 VAL 35 1HG1 VAL 35 -10.315 1.381 -8.529 243 2HG1 VAL 35 2HG1 VAL 35 -9.203 0.098 -8.056 244 3HG1 VAL 35 3HG1 VAL 35 -10.848 0.107 -7.414 245 1HG2 VAL 35 1HG2 VAL 35 -11.051 3.071 -6.815 246 2HG2 VAL 35 2HG2 VAL 35 -11.551 1.746 -5.761 247 3HG2 VAL 35 3HG2 VAL 35 -10.452 2.991 -5.151 248 H GLU 36 H GLU 36 -8.783 -1.817 -5.948 249 HA GLU 36 HA GLU 36 -11.245 -2.286 -4.353 250 1HB GLU 36 1HB GLU 36 -9.722 -3.973 -6.384 251 2HB GLU 36 2HB GLU 36 -11.087 -4.574 -5.436 252 1HG GLU 36 1HG GLU 36 -11.219 -2.170 -7.315 253 2HG GLU 36 2HG GLU 36 -11.736 -3.789 -7.721 254 H LEU 37 H LEU 37 -7.707 -2.960 -4.364 255 HA LEU 37 HA LEU 37 -8.038 -5.128 -2.415 256 1HB LEU 37 1HB LEU 37 -5.654 -5.257 -2.314 257 2HB LEU 37 2HB LEU 37 -6.227 -5.310 -3.961 258 HG LEU 37 HG LEU 37 -5.724 -2.708 -3.876 259 1HD1 LEU 37 1HD1 LEU 37 -3.631 -3.764 -1.965 260 2HD1 LEU 37 2HD1 LEU 37 -3.697 -2.132 -2.647 261 3HD1 LEU 37 3HD1 LEU 37 -4.911 -2.659 -1.480 262 1HD2 LEU 37 1HD2 LEU 37 -3.427 -3.212 -4.786 263 2HD2 LEU 37 2HD2 LEU 37 -3.614 -4.883 -4.225 264 3HD2 LEU 37 3HD2 LEU 37 -4.688 -4.224 -5.472 265 H LEU 38 H LEU 38 -7.518 -1.507 -2.395 266 HA LEU 38 HA LEU 38 -6.627 -1.827 0.245 267 1HB LEU 38 1HB LEU 38 -5.606 0.081 0.120 268 2HB LEU 38 2HB LEU 38 -5.804 -0.084 -1.593 269 HG LEU 38 HG LEU 38 -7.628 1.509 0.241 270 1HD1 LEU 38 1HD1 LEU 38 -6.458 3.516 -0.578 271 2HD1 LEU 38 2HD1 LEU 38 -5.268 2.391 0.100 272 3HD1 LEU 38 3HD1 LEU 38 -5.449 2.510 -1.642 273 1HD2 LEU 38 1HD2 LEU 38 -8.775 0.952 -1.899 274 2HD2 LEU 38 2HD2 LEU 38 -8.451 2.686 -1.698 275 3HD2 LEU 38 3HD2 LEU 38 -7.429 1.723 -2.754 276 H VAL 39 H VAL 39 -9.567 -1.296 -1.356 277 HA VAL 39 HA VAL 39 -11.069 -0.187 0.907 278 HB VAL 39 HB VAL 39 -11.383 -0.560 -1.838 279 1HG1 VAL 39 1HG1 VAL 39 -12.582 -2.668 -1.678 280 2HG1 VAL 39 2HG1 VAL 39 -13.691 -1.986 -0.464 281 3HG1 VAL 39 3HG1 VAL 39 -13.704 -1.401 -2.138 282 1HG2 VAL 39 1HG2 VAL 39 -13.374 0.574 0.127 283 2HG2 VAL 39 2HG2 VAL 39 -12.004 1.409 -0.646 284 3HG2 VAL 39 3HG2 VAL 39 -13.360 0.865 -1.624 285 H SER 40 H SER 40 -10.687 -3.305 -0.731 286 HA SER 40 HA SER 40 -12.182 -4.863 1.101 287 1HB SER 40 1HB SER 40 -11.197 -5.363 -1.323 288 2HB SER 40 2HB SER 40 -9.851 -6.052 -0.410 289 HG SER 40 HG SER 40 -12.328 -6.970 -0.947 290 H ALA 41 H ALA 41 -8.660 -3.985 0.952 291 HA ALA 41 HA ALA 41 -8.129 -5.524 3.353 292 1HB ALA 41 1HB ALA 41 -6.393 -5.135 1.673 293 2HB ALA 41 2HB ALA 41 -6.521 -3.403 1.911 294 3HB ALA 41 3HB ALA 41 -5.893 -4.423 3.226 295 H GLY 42 H GLY 42 -9.127 -2.162 2.800 296 1HA GLY 42 1HA GLY 42 -10.513 -1.162 4.440 297 2HA GLY 42 2HA GLY 42 -9.812 -2.199 5.689 298 H ILE 43 H ILE 43 -7.950 -0.469 3.256 299 HA ILE 43 HA ILE 43 -6.491 1.141 5.190 300 HB ILE 43 HB ILE 43 -6.573 0.748 2.179 301 1HG1 ILE 43 1HG1 ILE 43 -4.086 0.254 2.532 302 2HG1 ILE 43 2HG1 ILE 43 -4.411 0.234 4.261 303 1HG2 ILE 43 1HG2 ILE 43 -4.528 2.383 2.160 304 2HG2 ILE 43 2HG2 ILE 43 -6.083 3.156 2.459 305 3HG2 ILE 43 3HG2 ILE 43 -4.977 2.809 3.812 306 1HD1 ILE 43 1HD1 ILE 43 -4.324 -2.006 3.265 307 2HD1 ILE 43 2HD1 ILE 43 -5.978 -1.703 3.820 308 3HD1 ILE 43 3HD1 ILE 43 -5.564 -1.530 2.096 309 H SER 44 H SER 44 -9.066 1.579 2.547 310 HA SER 44 HA SER 44 -10.259 3.554 4.324 311 1HB SER 44 1HB SER 44 -9.074 4.305 1.671 312 2HB SER 44 2HB SER 44 -10.666 4.957 2.120 313 HG SER 44 HG SER 44 -8.189 5.292 3.429 314 HA PRO 45 HA PRO 45 -13.091 0.612 2.387 315 1HB PRO 45 1HB PRO 45 -15.066 0.577 4.235 316 2HB PRO 45 2HB PRO 45 -13.450 -0.125 4.560 317 1HG PRO 45 1HG PRO 45 -14.439 2.641 5.327 318 2HG PRO 45 2HG PRO 45 -13.690 1.417 6.400 319 1HD PRO 45 1HD PRO 45 -12.260 3.427 5.225 320 2HD PRO 45 2HD PRO 45 -11.552 1.799 5.470 321 H SER 46 H SER 46 -13.575 3.963 2.927 322 HA SER 46 HA SER 46 -16.355 4.078 1.941 323 1HB SER 46 1HB SER 46 -15.862 5.601 3.697 324 2HB SER 46 2HB SER 46 -14.356 6.071 2.914 325 HG SER 46 HG SER 46 -17.007 6.593 2.045 326 H LYS 47 H LYS 47 -16.539 3.884 -0.347 327 HA LYS 47 HA LYS 47 -14.240 3.559 -1.869 328 1HB LYS 47 1HB LYS 47 -16.975 3.191 -2.244 329 2HB LYS 47 2HB LYS 47 -16.582 4.372 -3.491 330 1HG LYS 47 1HG LYS 47 -14.870 2.862 -4.411 331 2HG LYS 47 2HG LYS 47 -15.083 1.748 -3.046 332 1HD LYS 47 1HD LYS 47 -17.422 1.305 -3.734 333 2HD LYS 47 2HD LYS 47 -17.245 2.442 -5.073 334 1HE LYS 47 1HE LYS 47 -17.033 0.235 -5.984 335 2HE LYS 47 2HE LYS 47 -15.422 0.971 -6.019 336 1HZ LYS 47 1HZ LYS 47 -16.369 -0.972 -4.006 337 2HZ LYS 47 2HZ LYS 47 -15.403 -1.297 -5.291 338 3HZ LYS 47 3HZ LYS 47 -14.832 -0.316 -4.117 339 H ARG 48 H ARG 48 -15.901 6.610 -1.277 340 HA ARG 48 HA ARG 48 -14.462 8.098 -3.338 341 1HB ARG 48 1HB ARG 48 -16.670 8.691 -1.882 342 2HB ARG 48 2HB ARG 48 -15.494 9.457 -0.833 343 1HG ARG 48 1HG ARG 48 -16.134 10.054 -3.736 344 2HG ARG 48 2HG ARG 48 -16.404 11.091 -2.346 345 1HD ARG 48 1HD ARG 48 -13.711 10.391 -3.590 346 2HD ARG 48 2HD ARG 48 -14.594 11.912 -3.737 347 HE ARG 48 HE ARG 48 -13.990 11.225 -0.960 348 1HH1 ARG 48 2HH2 ARG 48 -12.677 12.816 -3.879 349 2HH1 ARG 48 1HH2 ARG 48 -11.492 13.698 -2.990 350 1HH2 ARG 48 2HH1 ARG 48 -12.400 12.300 0.145 351 2HH2 ARG 48 1HH1 ARG 48 -11.163 13.217 -0.716 352 H GLN 49 H GLN 49 -14.096 7.615 0.226 353 HA GLN 49 HA GLN 49 -11.833 9.275 0.536 354 1HB GLN 49 1HB GLN 49 -13.285 8.069 2.355 355 2HB GLN 49 2HB GLN 49 -12.270 6.663 2.062 356 1HG GLN 49 1HG GLN 49 -11.480 8.029 3.995 357 2HG GLN 49 2HG GLN 49 -10.278 7.817 2.723 358 1HE2 GLN 49 1HE2 GLN 49 -9.073 9.630 2.494 359 2HE2 GLN 49 2HE2 GLN 49 -9.667 11.286 2.568 360 H ALA 50 H ALA 50 -12.209 5.818 0.039 361 HA ALA 50 HA ALA 50 -9.703 4.948 -0.232 362 1HB ALA 50 1HB ALA 50 -11.918 4.095 -2.160 363 2HB ALA 50 2HB ALA 50 -10.576 3.117 -1.591 364 3HB ALA 50 3HB ALA 50 -11.850 3.607 -0.463 365 H ARG 51 H ARG 51 -11.665 6.202 -3.026 366 HA ARG 51 HA ARG 51 -9.450 6.125 -4.778 367 1HB ARG 51 1HB ARG 51 -12.111 7.551 -4.922 368 2HB ARG 51 2HB ARG 51 -10.833 7.911 -6.103 369 1HG ARG 51 1HG ARG 51 -10.568 5.483 -6.558 370 2HG ARG 51 2HG ARG 51 -11.960 5.136 -5.518 371 1HD ARG 51 1HD ARG 51 -13.478 6.136 -7.056 372 2HD ARG 51 2HD ARG 51 -12.185 7.033 -7.872 373 HE ARG 51 HE ARG 51 -11.318 5.025 -8.815 374 1HH1 ARG 51 2HH2 ARG 51 -14.601 4.552 -7.573 375 2HH1 ARG 51 1HH2 ARG 51 -14.844 3.079 -8.460 376 1HH2 ARG 51 2HH1 ARG 51 -11.575 3.179 -9.866 377 2HH2 ARG 51 1HH1 ARG 51 -13.029 2.229 -9.838 378 H GLU 52 H GLU 52 -10.225 8.713 -2.466 379 HA GLU 52 HA GLU 52 -7.956 10.201 -3.748 380 1HB GLU 52 1HB GLU 52 -9.849 11.484 -2.710 381 2HB GLU 52 2HB GLU 52 -9.355 10.872 -1.111 382 1HG GLU 52 1HG GLU 52 -7.096 11.875 -1.449 383 2HG GLU 52 2HG GLU 52 -7.582 12.442 -3.052 384 H ASP 53 H ASP 53 -8.358 8.053 -0.935 385 HA ASP 53 HA ASP 53 -5.788 8.499 0.147 386 1HB ASP 53 1HB ASP 53 -8.063 6.547 0.440 387 2HB ASP 53 2HB ASP 53 -6.499 5.953 0.813 388 H ILE 54 H ILE 54 -6.863 6.920 -2.631 389 HA ILE 54 HA ILE 54 -4.304 5.637 -3.057 390 HB ILE 54 HB ILE 54 -6.725 6.096 -4.854 391 1HG1 ILE 54 1HG1 ILE 54 -5.782 3.377 -3.889 392 2HG1 ILE 54 2HG1 ILE 54 -6.882 4.350 -2.937 393 1HG2 ILE 54 1HG2 ILE 54 -4.855 6.006 -6.354 394 2HG2 ILE 54 2HG2 ILE 54 -4.146 4.642 -5.480 395 3HG2 ILE 54 3HG2 ILE 54 -5.636 4.442 -6.448 396 1HD1 ILE 54 1HD1 ILE 54 -8.117 4.569 -5.380 397 2HD1 ILE 54 2HD1 ILE 54 -7.327 3.001 -5.498 398 3HD1 ILE 54 3HD1 ILE 54 -8.472 3.368 -4.151 399 H GLN 55 H GLN 55 -6.280 8.283 -4.632 400 HA GLN 55 HA GLN 55 -4.098 8.746 -6.379 401 1HB GLN 55 1HB GLN 55 -6.745 10.156 -5.924 402 2HB GLN 55 2HB GLN 55 -5.567 10.637 -7.156 403 1HG GLN 55 1HG GLN 55 -5.507 8.267 -7.981 404 2HG GLN 55 2HG GLN 55 -6.829 7.862 -6.910 405 1HE2 GLN 55 1HE2 GLN 55 -5.841 10.021 -9.545 406 2HE2 GLN 55 2HE2 GLN 55 -7.458 10.332 -10.186 407 H ASN 56 H ASN 56 -4.367 9.786 -3.228 408 HA ASN 56 HA ASN 56 -2.564 12.086 -3.787 409 1HB ASN 56 1HB ASN 56 -3.623 10.674 -1.249 410 2HB ASN 56 2HB ASN 56 -2.201 11.675 -1.148 411 1HD2 ASN 56 1HD2 ASN 56 -5.147 12.394 -3.077 412 2HD2 ASN 56 2HD2 ASN 56 -5.600 13.809 -2.143 413 H GLY 57 H GLY 57 -0.502 11.957 -3.985 414 1HA GLY 57 1HA GLY 57 1.006 9.548 -4.015 415 2HA GLY 57 2HA GLY 57 1.635 11.199 -3.893 416 H ALA 58 H ALA 58 -0.497 10.492 -1.372 417 HA ALA 58 HA ALA 58 1.573 10.148 0.693 418 1HB ALA 58 1HB ALA 58 -0.211 10.690 2.206 419 2HB ALA 58 2HB ALA 58 -0.097 11.931 0.963 420 3HB ALA 58 3HB ALA 58 -1.397 10.723 0.858 421 H ILE 59 H ILE 59 -0.106 8.044 -1.464 422 HA ILE 59 HA ILE 59 0.311 5.913 0.578 423 HB ILE 59 HB ILE 59 -1.752 6.159 -0.021 424 1HG1 ILE 59 1HG1 ILE 59 -1.209 3.981 0.351 425 2HG1 ILE 59 2HG1 ILE 59 -2.457 4.040 -0.891 426 1HG2 ILE 59 1HG2 ILE 59 -0.884 6.542 -2.833 427 2HG2 ILE 59 2HG2 ILE 59 -2.314 5.540 -2.636 428 3HG2 ILE 59 3HG2 ILE 59 -2.299 7.157 -1.941 429 1HD1 ILE 59 1HD1 ILE 59 -0.475 3.943 -2.606 430 2HD1 ILE 59 2HD1 ILE 59 0.479 3.369 -1.214 431 3HD1 ILE 59 3HD1 ILE 59 -0.961 2.471 -1.770 432 H TYR 60 H TYR 60 2.354 6.087 0.716 433 HA TYR 60 HA TYR 60 4.106 5.689 -1.542 434 1HB TYR 60 1HB TYR 60 5.161 5.266 1.195 435 2HB TYR 60 2HB TYR 60 5.797 6.142 -0.141 436 HD1 TYR 60 1HD TYR 60 4.413 8.476 -0.718 437 HD2 TYR 60 2HD TYR 60 4.545 6.497 3.124 438 HE1 TYR 60 1HE TYR 60 3.859 10.580 0.399 439 HE2 TYR 60 2HE TYR 60 3.920 8.582 4.236 440 HH TYR 60 HH TYR 60 3.577 11.679 2.518 441 H VAL 61 H VAL 61 3.905 3.725 -2.454 442 HA VAL 61 HA VAL 61 2.931 1.421 -0.796 443 HB VAL 61 HB VAL 61 1.956 1.877 -3.133 444 1HG1 VAL 61 1HG1 VAL 61 4.132 2.426 -4.281 445 2HG1 VAL 61 2HG1 VAL 61 4.646 0.760 -4.071 446 3HG1 VAL 61 3HG1 VAL 61 3.269 1.090 -5.084 447 1HG2 VAL 61 1HG2 VAL 61 3.360 -0.775 -2.710 448 2HG2 VAL 61 2HG2 VAL 61 1.827 -0.315 -1.962 449 3HG2 VAL 61 3HG2 VAL 61 1.919 -0.496 -3.717 450 H ASN 62 H ASN 62 4.676 -0.156 -0.131 451 HA ASN 62 HA ASN 62 6.884 -0.817 0.058 452 1HB ASN 62 1HB ASN 62 6.207 -0.599 -2.807 453 2HB ASN 62 2HB ASN 62 7.930 -0.605 -2.469 454 1HD2 ASN 62 1HD2 ASN 62 8.254 -2.531 -3.299 455 2HD2 ASN 62 2HD2 ASN 62 7.673 -4.008 -2.592 456 H GLY 63 H GLY 63 6.334 2.242 0.225 457 1HA GLY 63 1HA GLY 63 7.786 3.788 1.322 458 2HA GLY 63 2HA GLY 63 9.180 3.035 0.550 459 H GLU 64 H GLU 64 6.814 3.303 -1.941 460 HA GLU 64 HA GLU 64 8.163 5.742 -2.890 461 1HB GLU 64 1HB GLU 64 8.398 4.732 -4.986 462 2HB GLU 64 2HB GLU 64 9.193 3.740 -3.781 463 1HG GLU 64 1HG GLU 64 7.580 1.995 -3.957 464 2HG GLU 64 2HG GLU 64 6.485 2.997 -4.932 465 H ARG 65 H ARG 65 6.856 7.211 -3.842 466 HA ARG 65 HA ARG 65 4.078 7.202 -3.059 467 1HB ARG 65 1HB ARG 65 5.409 9.268 -3.066 468 2HB ARG 65 2HB ARG 65 5.946 8.999 -4.710 469 1HG ARG 65 1HG ARG 65 3.050 9.264 -4.717 470 2HG ARG 65 2HG ARG 65 3.777 10.564 -3.782 471 1HD ARG 65 1HD ARG 65 3.589 11.437 -5.934 472 2HD ARG 65 2HD ARG 65 5.303 11.059 -5.748 473 HE ARG 65 HE ARG 65 4.385 8.803 -6.922 474 1HH1 ARG 65 2HH2 ARG 65 4.512 12.209 -7.904 475 2HH1 ARG 65 1HH2 ARG 65 4.010 11.894 -9.538 476 1HH2 ARG 65 2HH1 ARG 65 3.992 8.382 -9.190 477 2HH2 ARG 65 1HH1 ARG 65 3.847 9.680 -10.288 478 H LEU 66 H LEU 66 2.671 5.696 -4.175 479 HA LEU 66 HA LEU 66 2.640 6.088 -7.130 480 1HB LEU 66 1HB LEU 66 2.992 3.530 -5.700 481 2HB LEU 66 2HB LEU 66 2.332 3.628 -7.340 482 HG LEU 66 HG LEU 66 5.113 4.522 -6.426 483 1HD1 LEU 66 1HD1 LEU 66 4.148 2.233 -8.158 484 2HD1 LEU 66 2HD1 LEU 66 5.851 2.675 -7.870 485 3HD1 LEU 66 3HD1 LEU 66 4.845 2.121 -6.528 486 1HD2 LEU 66 1HD2 LEU 66 5.576 4.675 -8.934 487 2HD2 LEU 66 2HD2 LEU 66 3.827 4.620 -9.185 488 3HD2 LEU 66 3HD2 LEU 66 4.548 5.959 -8.305 489 H GLN 67 H GLN 67 0.800 7.064 -7.215 490 HA GLN 67 HA GLN 67 -1.550 6.333 -5.583 491 1HB GLN 67 1HB GLN 67 -1.903 8.678 -5.421 492 2HB GLN 67 2HB GLN 67 -0.221 8.603 -5.446 493 1HG GLN 67 1HG GLN 67 -2.209 9.616 -7.457 494 2HG GLN 67 2HG GLN 67 -0.953 10.472 -6.611 495 1HE2 GLN 67 1HE2 GLN 67 1.393 9.810 -7.224 496 2HE2 GLN 67 2HE2 GLN 67 1.643 9.237 -8.872 497 H ASP 68 H ASP 68 -0.825 4.887 -8.012 498 HA ASP 68 HA ASP 68 -3.002 5.624 -9.876 499 1HB ASP 68 1HB ASP 68 -0.904 6.707 -10.488 500 2HB ASP 68 2HB ASP 68 -0.111 5.137 -10.570 501 H VAL 69 H VAL 69 -4.061 3.979 -10.689 502 HA VAL 69 HA VAL 69 -3.656 1.138 -10.119 503 HB VAL 69 HB VAL 69 -5.800 2.361 -10.463 504 1HG1 VAL 69 1HG1 VAL 69 -5.140 2.513 -13.411 505 2HG1 VAL 69 2HG1 VAL 69 -6.671 2.939 -12.631 506 3HG1 VAL 69 3HG1 VAL 69 -5.223 3.895 -12.297 507 1HG2 VAL 69 1HG2 VAL 69 -5.395 0.134 -12.475 508 2HG2 VAL 69 2HG2 VAL 69 -5.635 -0.083 -10.731 509 3HG2 VAL 69 3HG2 VAL 69 -6.927 0.621 -11.721 510 H GLY 70 H GLY 70 -2.813 3.363 -12.714 511 1HA GLY 70 1HA GLY 70 -1.706 1.309 -14.395 512 2HA GLY 70 2HA GLY 70 -1.330 3.043 -14.502 513 H ALA 71 H ALA 71 -0.635 2.567 -11.477 514 HA ALA 71 HA ALA 71 2.186 1.767 -11.913 515 1HB ALA 71 1HB ALA 71 2.746 2.824 -9.849 516 2HB ALA 71 2HB ALA 71 1.938 3.986 -10.917 517 3HB ALA 71 3HB ALA 71 1.064 3.271 -9.533 518 H ILE 72 H ILE 72 -0.706 0.904 -9.767 519 HA ILE 72 HA ILE 72 0.817 -1.526 -9.091 520 HB ILE 72 HB ILE 72 -0.762 -0.115 -7.070 521 1HG1 ILE 72 1HG1 ILE 72 2.233 0.134 -6.933 522 2HG1 ILE 72 2HG1 ILE 72 1.415 1.283 -7.963 523 1HG2 ILE 72 1HG2 ILE 72 0.853 -1.523 -5.606 524 2HG2 ILE 72 2HG2 ILE 72 -0.117 -2.516 -6.700 525 3HG2 ILE 72 3HG2 ILE 72 1.558 -2.150 -7.101 526 1HD1 ILE 72 1HD1 ILE 72 1.493 2.135 -5.631 527 2HD1 ILE 72 2HD1 ILE 72 -0.110 2.006 -6.289 528 3HD1 ILE 72 3HD1 ILE 72 0.479 0.789 -5.122 529 H LEU 73 H LEU 73 -0.459 -3.375 -9.565 530 HA LEU 73 HA LEU 73 -3.290 -3.223 -9.003 531 1HB LEU 73 1HB LEU 73 -1.859 -5.049 -10.918 532 2HB LEU 73 2HB LEU 73 -3.562 -5.119 -10.490 533 HG LEU 73 HG LEU 73 -2.257 -2.666 -11.751 534 1HD1 LEU 73 1HD1 LEU 73 -4.077 -4.609 -13.171 535 2HD1 LEU 73 2HD1 LEU 73 -3.172 -3.241 -13.853 536 3HD1 LEU 73 3HD1 LEU 73 -2.302 -4.675 -13.293 537 1HD2 LEU 73 1HD2 LEU 73 -4.598 -2.054 -12.345 538 2HD2 LEU 73 2HD2 LEU 73 -5.149 -3.312 -11.223 539 3HD2 LEU 73 3HD2 LEU 73 -4.156 -1.920 -10.652 540 H THR 74 H THR 74 -1.215 -6.168 -9.143 541 HA THR 74 HA THR 74 -1.763 -6.442 -6.292 542 HB THR 74 HB THR 74 -0.869 -8.846 -7.102 543 HG1 THR 74 1HG THR 74 -1.063 -9.222 -9.172 544 1HG2 THR 74 1HG2 THR 74 -3.057 -8.304 -6.132 545 2HG2 THR 74 2HG2 THR 74 -3.578 -7.584 -7.655 546 3HG2 THR 74 3HG2 THR 74 -3.263 -9.338 -7.553 547 H ALA 75 H ALA 75 -0.012 -8.243 -5.402 548 HA ALA 75 HA ALA 75 2.241 -6.696 -4.646 549 1HB ALA 75 1HB ALA 75 3.061 -9.002 -3.839 550 2HB ALA 75 2HB ALA 75 1.475 -8.491 -3.198 551 3HB ALA 75 3HB ALA 75 1.585 -9.672 -4.515 552 H GLU 76 H GLU 76 1.924 -9.261 -7.143 553 HA GLU 76 HA GLU 76 4.643 -9.214 -7.953 554 1HB GLU 76 1HB GLU 76 3.802 -10.349 -9.952 555 2HB GLU 76 2HB GLU 76 3.017 -10.997 -8.541 556 1HG GLU 76 1HG GLU 76 1.243 -8.970 -9.184 557 2HG GLU 76 2HG GLU 76 1.873 -9.367 -10.773 558 H HIS 77 H HIS 77 2.162 -6.908 -8.359 559 HA HIS 77 HA HIS 77 3.361 -5.580 -10.686 560 1HB HIS 77 1HB HIS 77 0.862 -6.086 -10.197 561 2HB HIS 77 2HB HIS 77 0.967 -4.740 -9.077 562 HD1 HIS 77 1HD HIS 77 2.115 -2.415 -10.359 563 HD2 HIS 77 2HD HIS 77 -0.097 -5.313 -12.412 564 HE1 HIS 77 1HE HIS 77 0.620 -1.152 -11.945 565 H ARG 78 H ARG 78 4.076 -5.776 -7.359 566 HA ARG 78 HA ARG 78 5.201 -3.090 -7.611 567 1HB ARG 78 1HB ARG 78 3.223 -3.146 -6.046 568 2HB ARG 78 2HB ARG 78 4.220 -4.064 -4.944 569 1HG ARG 78 1HG ARG 78 3.941 -1.414 -4.847 570 2HG ARG 78 2HG ARG 78 5.379 -2.233 -4.286 571 1HD ARG 78 1HD ARG 78 5.948 -0.196 -5.551 572 2HD ARG 78 2HD ARG 78 6.596 -1.634 -6.318 573 HE ARG 78 HE ARG 78 4.064 -1.073 -7.479 574 1HH1 ARG 78 2HH2 ARG 78 7.394 0.240 -7.490 575 2HH1 ARG 78 1HH2 ARG 78 7.429 0.354 -9.221 576 1HH2 ARG 78 2HH1 ARG 78 4.031 -0.523 -9.722 577 2HH2 ARG 78 1HH1 ARG 78 5.492 -0.026 -10.473 578 H LEU 79 H LEU 79 5.651 -6.170 -5.500 579 HA LEU 79 HA LEU 79 8.514 -5.786 -5.838 580 1HB LEU 79 1HB LEU 79 7.934 -8.052 -4.339 581 2HB LEU 79 2HB LEU 79 8.488 -6.477 -3.767 582 HG LEU 79 HG LEU 79 5.556 -7.254 -3.834 583 1HD1 LEU 79 1HD1 LEU 79 6.805 -8.868 -2.401 584 2HD1 LEU 79 2HD1 LEU 79 7.812 -7.561 -1.747 585 3HD1 LEU 79 3HD1 LEU 79 6.119 -7.637 -1.302 586 1HD2 LEU 79 1HD2 LEU 79 7.103 -5.365 -2.044 587 2HD2 LEU 79 2HD2 LEU 79 6.206 -4.814 -3.526 588 3HD2 LEU 79 3HD2 LEU 79 5.377 -5.537 -2.189 589 H GLU 80 H GLU 80 9.344 -8.282 -5.902 590 HA GLU 80 HA GLU 80 8.928 -9.503 -8.365 591 1HB GLU 80 1HB GLU 80 9.825 -11.524 -7.358 592 2HB GLU 80 2HB GLU 80 10.710 -10.106 -6.782 593 1HG GLU 80 1HG GLU 80 9.278 -10.177 -4.673 594 2HG GLU 80 2HG GLU 80 8.596 -11.693 -5.262 595 H GLY 81 H GLY 81 7.122 -10.109 -5.333 596 1HA GLY 81 1HA GLY 81 4.637 -9.897 -5.812 597 2HA GLY 81 2HA GLY 81 4.925 -11.289 -6.854 598 H ARG 82 H ARG 82 4.969 -10.145 -3.540 599 HA ARG 82 HA ARG 82 3.719 -12.695 -2.781 600 1HB ARG 82 1HB ARG 82 6.345 -11.955 -1.457 601 2HB ARG 82 2HB ARG 82 5.059 -12.806 -0.608 602 1HG ARG 82 1HG ARG 82 6.139 -14.624 -1.248 603 2HG ARG 82 2HG ARG 82 5.111 -14.458 -2.663 604 1HD ARG 82 1HD ARG 82 7.059 -13.279 -3.816 605 2HD ARG 82 2HD ARG 82 8.022 -13.603 -2.366 606 HE ARG 82 HE ARG 82 6.712 -15.930 -3.616 607 1HH1 ARG 82 2HH2 ARG 82 9.766 -13.992 -3.521 608 2HH1 ARG 82 1HH2 ARG 82 10.709 -15.372 -3.956 609 1HH2 ARG 82 2HH1 ARG 82 8.103 -17.694 -4.214 610 2HH2 ARG 82 1HH1 ARG 82 9.732 -17.340 -4.640 611 H PHE 83 H PHE 83 4.872 -9.528 -1.593 612 HA PHE 83 HA PHE 83 2.359 -9.204 -0.064 613 1HB PHE 83 1HB PHE 83 5.190 -8.425 0.790 614 2HB PHE 83 2HB PHE 83 3.712 -8.089 1.675 615 HD1 PHE 83 1HD PHE 83 6.104 -10.721 0.668 616 HD2 PHE 83 2HD PHE 83 2.545 -9.824 2.939 617 HE1 PHE 83 1HE PHE 83 6.168 -12.986 1.714 618 HE2 PHE 83 2HE PHE 83 2.732 -12.043 4.055 619 HZ PHE 83 HZ PHE 83 4.577 -13.572 3.471 620 H THR 84 H THR 84 2.342 -6.678 0.554 621 HA THR 84 HA THR 84 4.115 -4.904 -0.837 622 HB THR 84 HB THR 84 1.307 -5.290 -1.854 623 HG1 THR 84 1HG THR 84 3.287 -5.983 -2.853 624 1HG2 THR 84 1HG2 THR 84 2.901 -2.704 -1.868 625 2HG2 THR 84 2HG2 THR 84 1.521 -3.016 -2.952 626 3HG2 THR 84 3HG2 THR 84 1.266 -2.907 -1.198 627 H VAL 85 H VAL 85 4.412 -3.140 0.436 628 HA VAL 85 HA VAL 85 2.587 -2.878 2.770 629 HB VAL 85 HB VAL 85 4.902 -3.023 3.339 630 1HG1 VAL 85 1HG1 VAL 85 6.002 -2.189 1.376 631 2HG1 VAL 85 2HG1 VAL 85 5.476 -0.522 1.792 632 3HG1 VAL 85 3HG1 VAL 85 6.600 -1.412 2.837 633 1HG2 VAL 85 1HG2 VAL 85 3.792 -0.211 3.739 634 2HG2 VAL 85 2HG2 VAL 85 3.488 -1.634 4.763 635 3HG2 VAL 85 3HG2 VAL 85 5.099 -0.909 4.672 636 H ILE 86 H ILE 86 1.434 -1.022 3.067 637 HA ILE 86 HA ILE 86 1.226 0.926 0.811 638 HB ILE 86 HB ILE 86 -0.774 -0.466 2.615 639 1HG1 ILE 86 1HG1 ILE 86 -0.054 -1.650 0.453 640 2HG1 ILE 86 2HG1 ILE 86 -1.783 -1.328 0.550 641 1HG2 ILE 86 1HG2 ILE 86 -1.682 1.744 2.529 642 2HG2 ILE 86 2HG2 ILE 86 -1.112 1.974 0.869 643 3HG2 ILE 86 3HG2 ILE 86 -2.509 0.944 1.180 644 1HD1 ILE 86 1HD1 ILE 86 -0.665 -0.811 -1.708 645 2HD1 ILE 86 2HD1 ILE 86 -1.668 0.474 -1.018 646 3HD1 ILE 86 3HD1 ILE 86 0.089 0.582 -0.916 647 H ARG 87 H ARG 87 2.321 2.720 1.673 648 HA ARG 87 HA ARG 87 1.860 3.194 4.567 649 1HB ARG 87 1HB ARG 87 3.942 4.454 2.766 650 2HB ARG 87 2HB ARG 87 3.866 4.570 4.509 651 1HG ARG 87 1HG ARG 87 4.320 2.068 4.600 652 2HG ARG 87 2HG ARG 87 4.511 2.088 2.839 653 1HD ARG 87 1HD ARG 87 6.251 3.913 3.181 654 2HD ARG 87 2HD ARG 87 6.180 3.545 4.914 655 HE ARG 87 HE ARG 87 6.643 1.106 3.571 656 1HH1 ARG 87 2HH2 ARG 87 8.303 4.187 4.211 657 2HH1 ARG 87 1HH2 ARG 87 9.888 3.500 4.112 658 1HH2 ARG 87 2HH1 ARG 87 8.915 0.223 3.254 659 2HH2 ARG 87 1HH1 ARG 87 10.171 1.347 3.472 660 H ARG 88 H ARG 88 -0.214 3.956 4.316 661 HA ARG 88 HA ARG 88 -0.903 6.000 2.402 662 1HB ARG 88 1HB ARG 88 -2.349 4.073 2.827 663 2HB ARG 88 2HB ARG 88 -2.374 4.403 4.523 664 1HG ARG 88 1HG ARG 88 -4.466 4.992 3.253 665 2HG ARG 88 2HG ARG 88 -3.879 6.280 4.265 666 1HD ARG 88 1HD ARG 88 -3.177 6.041 1.332 667 2HD ARG 88 2HD ARG 88 -4.646 6.798 1.830 668 HE ARG 88 HE ARG 88 -2.007 7.947 1.955 669 1HH1 ARG 88 2HH2 ARG 88 -5.281 8.061 3.381 670 2HH1 ARG 88 1HH2 ARG 88 -5.233 9.753 3.689 671 1HH2 ARG 88 2HH1 ARG 88 -1.890 10.199 2.617 672 2HH2 ARG 88 1HH1 ARG 88 -3.249 10.952 3.359 673 H GLY 89 H GLY 89 0.823 7.400 3.414 674 1HA GLY 89 1HA GLY 89 1.705 8.896 5.002 675 2HA GLY 89 2HA GLY 89 0.422 9.689 4.120 676 H LYS 90 H LYS 90 -1.665 9.891 5.157 677 HA LYS 90 HA LYS 90 -1.685 10.932 7.776 678 1HB LYS 90 1HB LYS 90 -3.358 11.505 6.117 679 2HB LYS 90 2HB LYS 90 -3.853 9.816 5.945 680 1HG LYS 90 1HG LYS 90 -4.778 9.822 8.235 681 2HG LYS 90 2HG LYS 90 -4.282 11.517 8.433 682 1HD LYS 90 1HD LYS 90 -5.736 12.186 6.572 683 2HD LYS 90 2HD LYS 90 -6.179 10.507 6.251 684 1HE LYS 90 1HE LYS 90 -6.697 11.877 8.923 685 2HE LYS 90 2HE LYS 90 -7.852 11.930 7.574 686 1HZ LYS 90 1HZ LYS 90 -8.120 9.598 7.678 687 2HZ LYS 90 2HZ LYS 90 -6.909 9.401 8.792 688 3HZ LYS 90 3HZ LYS 90 -8.278 10.159 9.202 689 H LYS 91 H LYS 91 -2.682 7.751 6.576 690 HA LYS 91 HA LYS 91 -2.915 6.574 9.294 691 1HB LYS 91 1HB LYS 91 -4.588 6.245 7.170 692 2HB LYS 91 2HB LYS 91 -3.358 5.043 6.751 693 1HG LYS 91 1HG LYS 91 -3.688 4.515 9.421 694 2HG LYS 91 2HG LYS 91 -5.278 5.166 9.080 695 1HD LYS 91 1HD LYS 91 -3.917 2.948 7.520 696 2HD LYS 91 2HD LYS 91 -4.849 2.686 8.997 697 1HE LYS 91 1HE LYS 91 -6.042 3.913 6.475 698 2HE LYS 91 2HE LYS 91 -6.096 2.191 6.885 699 1HZ LYS 91 1HZ LYS 91 -8.092 3.095 7.642 700 2HZ LYS 91 2HZ LYS 91 -7.194 2.877 8.993 701 3HZ LYS 91 3HZ LYS 91 -7.386 4.378 8.379 702 H LYS 92 H LYS 92 -1.896 4.299 9.283 703 HA LYS 92 HA LYS 92 0.905 4.684 8.793 704 1HB LYS 92 1HB LYS 92 -0.438 3.630 10.830 705 2HB LYS 92 2HB LYS 92 -0.377 2.185 9.900 706 1HG LYS 92 1HG LYS 92 1.667 1.809 10.807 707 2HG LYS 92 2HG LYS 92 2.314 3.154 9.866 708 1HD LYS 92 1HD LYS 92 1.004 3.367 12.598 709 2HD LYS 92 2HD LYS 92 2.722 3.287 12.344 710 1HE LYS 92 1HE LYS 92 0.930 5.493 11.190 711 2HE LYS 92 2HE LYS 92 1.726 5.589 12.757 712 1HZ LYS 92 1HZ LYS 92 3.826 5.035 11.278 713 2HZ LYS 92 2HZ LYS 92 2.910 5.845 10.140 714 3HZ LYS 92 3HZ LYS 92 3.278 6.555 11.572 715 H TYR 93 H TYR 93 1.125 1.708 8.655 716 HA TYR 93 HA TYR 93 1.553 1.598 5.744 717 1HB TYR 93 1HB TYR 93 3.278 0.283 7.760 718 2HB TYR 93 2HB TYR 93 3.595 0.642 6.085 719 HD1 TYR 93 1HD TYR 93 5.301 1.186 8.689 720 HD2 TYR 93 2HD TYR 93 2.689 3.760 6.400 721 HE1 TYR 93 1HE TYR 93 6.608 3.115 9.373 722 HE2 TYR 93 2HE TYR 93 3.943 5.714 7.183 723 HH TYR 93 HH TYR 93 6.891 5.375 9.181 724 H TYR 94 H TYR 94 -0.399 0.325 5.295 725 HA TYR 94 HA TYR 94 -0.875 -2.108 6.955 726 1HB TYR 94 1HB TYR 94 -2.273 -0.711 4.672 727 2HB TYR 94 2HB TYR 94 -2.676 -2.304 5.146 728 HD1 TYR 94 1HD TYR 94 -1.753 0.274 7.723 729 HD2 TYR 94 2HD TYR 94 -4.944 -1.918 5.796 730 HE1 TYR 94 1HE TYR 94 -3.262 0.942 9.492 731 HE2 TYR 94 2HE TYR 94 -6.513 -1.110 7.480 732 HH TYR 94 HH TYR 94 -5.364 0.260 10.516 733 H LEU 95 H LEU 95 -1.342 -4.023 5.755 734 HA LEU 95 HA LEU 95 0.882 -4.576 3.852 735 1HB LEU 95 1HB LEU 95 1.440 -5.329 6.036 736 2HB LEU 95 2HB LEU 95 -0.091 -6.173 6.215 737 HG LEU 95 HG LEU 95 0.563 -7.819 4.506 738 1HD1 LEU 95 1HD1 LEU 95 1.942 -6.611 2.962 739 2HD1 LEU 95 2HD1 LEU 95 3.008 -6.034 4.260 740 3HD1 LEU 95 3HD1 LEU 95 3.029 -7.739 3.771 741 1HD2 LEU 95 1HD2 LEU 95 2.814 -7.379 6.526 742 2HD2 LEU 95 2HD2 LEU 95 1.278 -8.168 6.894 743 3HD2 LEU 95 3HD2 LEU 95 2.378 -8.912 5.735 744 H ILE 96 H ILE 96 0.386 -5.626 2.079 745 HA ILE 96 HA ILE 96 -2.352 -6.779 1.679 746 HB ILE 96 HB ILE 96 -0.521 -5.333 -0.281 747 1HG1 ILE 96 1HG1 ILE 96 -1.540 -3.721 1.269 748 2HG1 ILE 96 2HG1 ILE 96 -2.117 -3.523 -0.363 749 1HG2 ILE 96 1HG2 ILE 96 -3.293 -6.491 -0.780 750 2HG2 ILE 96 2HG2 ILE 96 -2.328 -5.523 -1.925 751 3HG2 ILE 96 3HG2 ILE 96 -1.761 -7.099 -1.420 752 1HD1 ILE 96 1HD1 ILE 96 -3.636 -4.850 1.924 753 2HD1 ILE 96 2HD1 ILE 96 -3.937 -3.253 1.218 754 3HD1 ILE 96 3HD1 ILE 96 -4.248 -4.702 0.260 755 H ARG 97 H ARG 97 -2.250 -8.964 1.208 756 HA ARG 97 HA ARG 97 -0.003 -9.919 -0.429 757 1HB ARG 97 1HB ARG 97 -0.195 -11.989 1.160 758 2HB ARG 97 2HB ARG 97 0.820 -10.605 1.561 759 1HG ARG 97 1HG ARG 97 -0.949 -9.790 3.136 760 2HG ARG 97 2HG ARG 97 -1.885 -11.252 2.762 761 1HD ARG 97 1HD ARG 97 0.062 -12.601 3.608 762 2HD ARG 97 2HD ARG 97 0.847 -11.066 4.056 763 HE ARG 97 HE ARG 97 -1.679 -11.029 5.258 764 1HH1 ARG 97 2HH2 ARG 97 1.360 -12.958 5.556 765 2HH1 ARG 97 1HH2 ARG 97 0.844 -13.655 7.036 766 1HH2 ARG 97 2HH1 ARG 97 -2.155 -11.897 7.408 767 2HH2 ARG 97 1HH1 ARG 97 -1.042 -13.070 8.049 768 H TYR 98 H TYR 98 -0.556 -12.236 -1.254 769 HA TYR 98 HA TYR 98 -3.405 -12.749 -1.334 770 1HB TYR 98 1HB TYR 98 -2.621 -13.940 -3.547 771 2HB TYR 98 2HB TYR 98 -3.226 -12.299 -3.536 772 HD1 TYR 98 1HD TYR 98 0.243 -13.545 -2.728 773 HD2 TYR 98 2HD TYR 98 -2.303 -11.340 -5.441 774 HE1 TYR 98 1HE TYR 98 2.183 -13.067 -4.170 775 HE2 TYR 98 2HE TYR 98 -0.351 -10.883 -6.876 776 HH TYR 98 HH TYR 98 2.600 -12.379 -6.692 777 H ALA 99 H ALA 99 -3.800 -14.964 -1.579 778 HA ALA 99 HA ALA 99 -2.314 -16.713 0.097 779 1HB ALA 99 1HB ALA 99 -4.550 -17.278 -1.902 780 2HB ALA 99 2HB ALA 99 -3.984 -18.386 -0.640 781 3HB ALA 99 3HB ALA 99 -4.760 -16.859 -0.184 Start of MODEL 7 1 1H ALA 1 1H ALA 1 17.663 -15.028 3.241 2 2H ALA 1 2H ALA 1 18.184 -16.475 2.646 3 3H ALA 1 3H ALA 1 18.479 -15.084 1.818 4 HA ALA 1 HA ALA 1 16.664 -16.449 0.894 5 1HB ALA 1 1HB ALA 1 14.485 -16.227 2.016 6 2HB ALA 1 2HB ALA 1 15.630 -17.120 3.042 7 3HB ALA 1 3HB ALA 1 15.246 -15.417 3.393 8 H LEU 2 H LEU 2 15.779 -15.289 -0.721 9 HA LEU 2 HA LEU 2 15.866 -13.648 -2.183 10 1HB LEU 2 1HB LEU 2 14.431 -12.384 -0.121 11 2HB LEU 2 2HB LEU 2 15.711 -11.246 -0.502 12 HG LEU 2 HG LEU 2 13.747 -12.496 -2.484 13 1HD1 LEU 2 1HD1 LEU 2 12.673 -10.350 -2.547 14 2HD1 LEU 2 2HD1 LEU 2 12.756 -10.848 -0.862 15 3HD1 LEU 2 3HD1 LEU 2 13.882 -9.612 -1.511 16 1HD2 LEU 2 1HD2 LEU 2 15.798 -10.284 -2.940 17 2HD2 LEU 2 2HD2 LEU 2 15.827 -11.919 -3.669 18 3HD2 LEU 2 3HD2 LEU 2 14.552 -10.789 -4.087 19 H PHE 3 H PHE 3 17.328 -11.348 -2.420 20 HA PHE 3 HA PHE 3 19.504 -11.244 -0.594 21 1HB PHE 3 1HB PHE 3 20.025 -13.015 -2.720 22 2HB PHE 3 2HB PHE 3 20.808 -11.530 -3.220 23 HD1 PHE 3 1HD PHE 3 21.889 -10.356 -0.734 24 HD2 PHE 3 2HD PHE 3 21.651 -14.496 -1.957 25 HE1 PHE 3 1HE PHE 3 23.774 -10.906 0.742 26 HE2 PHE 3 2HE PHE 3 23.587 -15.023 -0.534 27 HZ PHE 3 HZ PHE 3 24.650 -13.228 0.858 28 H SER 4 H SER 4 18.451 -10.380 -3.933 29 HA SER 4 HA SER 4 18.013 -7.647 -3.201 30 1HB SER 4 1HB SER 4 20.265 -8.348 -5.137 31 2HB SER 4 2HB SER 4 19.514 -6.740 -5.039 32 HG SER 4 HG SER 4 20.391 -7.934 -2.682 33 H GLY 5 H GLY 5 17.415 -6.551 -5.639 34 1HA GLY 5 1HA GLY 5 16.278 -7.766 -7.704 35 2HA GLY 5 2HA GLY 5 15.163 -8.263 -6.413 36 H ASP 6 H ASP 6 13.412 -6.981 -6.583 37 HA ASP 6 HA ASP 6 13.515 -4.112 -7.288 38 1HB ASP 6 1HB ASP 6 11.219 -5.940 -6.413 39 2HB ASP 6 2HB ASP 6 11.065 -4.245 -6.868 40 H ILE 7 H ILE 7 12.268 -6.075 -4.580 41 HA ILE 7 HA ILE 7 12.490 -3.700 -2.882 42 HB ILE 7 HB ILE 7 11.210 -5.124 -1.261 43 1HG1 ILE 7 1HG1 ILE 7 10.164 -6.731 -3.538 44 2HG1 ILE 7 2HG1 ILE 7 11.766 -7.215 -3.003 45 1HG2 ILE 7 1HG2 ILE 7 10.234 -3.320 -2.539 46 2HG2 ILE 7 2HG2 ILE 7 9.973 -4.384 -3.919 47 3HG2 ILE 7 3HG2 ILE 7 9.104 -4.670 -2.388 48 1HD1 ILE 7 1HD1 ILE 7 11.070 -7.860 -0.888 49 2HD1 ILE 7 2HD1 ILE 7 9.508 -7.025 -1.031 50 3HD1 ILE 7 3HD1 ILE 7 9.846 -8.488 -1.996 51 H ALA 8 H ALA 8 14.802 -4.284 -3.399 52 HA ALA 8 HA ALA 8 16.236 -6.078 -1.592 53 1HB ALA 8 1HB ALA 8 17.169 -5.334 -3.820 54 2HB ALA 8 2HB ALA 8 17.289 -3.681 -3.174 55 3HB ALA 8 3HB ALA 8 18.245 -4.991 -2.457 56 H ASN 9 H ASN 9 14.420 -3.337 -1.007 57 HA ASN 9 HA ASN 9 16.144 -2.218 1.112 58 1HB ASN 9 1HB ASN 9 13.800 -1.174 -0.549 59 2HB ASN 9 2HB ASN 9 14.469 -0.359 0.834 60 1HD2 ASN 9 1HD2 ASN 9 14.860 -1.067 -2.576 61 2HD2 ASN 9 2HD2 ASN 9 16.401 -0.257 -2.799 62 H LEU 10 H LEU 10 13.533 -4.310 0.407 63 HA LEU 10 HA LEU 10 12.427 -4.360 3.155 64 1HB LEU 10 1HB LEU 10 10.288 -3.798 2.691 65 2HB LEU 10 2HB LEU 10 11.407 -2.465 2.546 66 HG LEU 10 HG LEU 10 9.855 -3.689 0.205 67 1HD1 LEU 10 1HD1 LEU 10 8.687 -1.667 0.357 68 2HD1 LEU 10 2HD1 LEU 10 8.572 -2.518 1.894 69 3HD1 LEU 10 3HD1 LEU 10 9.634 -1.113 1.754 70 1HD2 LEU 10 1HD2 LEU 10 10.645 -1.637 -0.981 71 2HD2 LEU 10 2HD2 LEU 10 11.728 -1.280 0.371 72 3HD2 LEU 10 3HD2 LEU 10 11.982 -2.732 -0.640 73 H THR 11 H THR 11 13.242 -6.630 3.016 74 HA THR 11 HA THR 11 12.304 -8.293 0.858 75 HB THR 11 HB THR 11 13.387 -10.064 2.350 76 HG1 THR 11 1HG THR 11 14.394 -7.783 3.728 77 1HG2 THR 11 1HG2 THR 11 15.108 -7.698 1.438 78 2HG2 THR 11 2HG2 THR 11 15.708 -9.340 1.777 79 3HG2 THR 11 3HG2 THR 11 14.603 -9.055 0.431 80 H ALA 12 H ALA 12 11.522 -10.573 1.931 81 HA ALA 12 HA ALA 12 8.665 -9.929 2.517 82 1HB ALA 12 1HB ALA 12 10.103 -12.630 2.377 83 2HB ALA 12 2HB ALA 12 8.354 -12.372 2.485 84 3HB ALA 12 3HB ALA 12 9.234 -11.863 1.028 85 H ALA 13 H ALA 13 11.323 -11.428 4.331 86 HA ALA 13 HA ALA 13 9.502 -11.687 6.647 87 1HB ALA 13 1HB ALA 13 11.538 -13.138 6.335 88 2HB ALA 13 2HB ALA 13 12.534 -11.713 6.746 89 3HB ALA 13 3HB ALA 13 11.393 -12.376 7.928 90 H GLU 14 H GLU 14 11.577 -9.175 5.288 91 HA GLU 14 HA GLU 14 11.793 -7.595 7.725 92 1HB GLU 14 1HB GLU 14 13.526 -7.852 5.986 93 2HB GLU 14 2HB GLU 14 12.386 -7.206 4.791 94 1HG GLU 14 1HG GLU 14 12.428 -5.028 5.945 95 2HG GLU 14 2HG GLU 14 13.611 -5.670 7.096 96 H ILE 15 H ILE 15 9.651 -7.878 4.896 97 HA ILE 15 HA ILE 15 8.224 -5.431 5.403 98 HB ILE 15 HB ILE 15 7.888 -7.849 3.544 99 1HG1 ILE 15 1HG1 ILE 15 7.897 -4.861 3.155 100 2HG1 ILE 15 2HG1 ILE 15 9.321 -5.837 3.101 101 1HG2 ILE 15 1HG2 ILE 15 5.631 -7.642 4.353 102 2HG2 ILE 15 2HG2 ILE 15 5.670 -5.884 4.179 103 3HG2 ILE 15 3HG2 ILE 15 5.710 -6.942 2.752 104 1HD1 ILE 15 1HD1 ILE 15 8.500 -5.424 0.815 105 2HD1 ILE 15 2HD1 ILE 15 8.442 -7.154 1.209 106 3HD1 ILE 15 3HD1 ILE 15 6.956 -6.181 1.184 107 H GLU 16 H GLU 16 7.553 -8.920 5.936 108 HA GLU 16 HA GLU 16 5.203 -8.425 7.429 109 1HB GLU 16 1HB GLU 16 7.273 -10.584 7.815 110 2HB GLU 16 2HB GLU 16 5.659 -10.560 8.578 111 1HG GLU 16 1HG GLU 16 4.575 -10.589 6.359 112 2HG GLU 16 2HG GLU 16 6.132 -10.589 5.557 113 H GLN 17 H GLN 17 8.601 -8.543 8.799 114 HA GLN 17 HA GLN 17 7.476 -7.944 11.438 115 1HB GLN 17 1HB GLN 17 9.403 -9.487 11.183 116 2HB GLN 17 2HB GLN 17 10.365 -8.165 10.515 117 1HG GLN 17 1HG GLN 17 10.820 -8.618 12.924 118 2HG GLN 17 2HG GLN 17 10.303 -6.972 12.617 119 1HE2 GLN 17 1HE2 GLN 17 8.351 -6.231 13.598 120 2HE2 GLN 17 2HE2 GLN 17 7.545 -7.153 14.851 121 H GLY 18 H GLY 18 8.768 -6.194 8.647 122 1HA GLY 18 1HA GLY 18 9.618 -3.851 9.919 123 2HA GLY 18 2HA GLY 18 9.056 -4.024 8.243 124 H PHE 19 H PHE 19 6.512 -5.115 8.652 125 HA PHE 19 HA PHE 19 5.207 -2.546 9.439 126 1HB PHE 19 1HB PHE 19 4.693 -4.362 7.080 127 2HB PHE 19 2HB PHE 19 3.904 -2.838 7.430 128 HD1 PHE 19 1HD PHE 19 6.340 -4.178 5.387 129 HD2 PHE 19 2HD PHE 19 5.912 -0.915 8.148 130 HE1 PHE 19 1HE PHE 19 8.335 -3.047 4.399 131 HE2 PHE 19 2HE PHE 19 7.807 0.242 7.103 132 HZ PHE 19 HZ PHE 19 9.038 -0.834 5.214 133 H LYS 20 H LYS 20 5.504 -5.375 10.705 134 HA LYS 20 HA LYS 20 3.027 -6.384 11.287 135 1HB LYS 20 1HB LYS 20 5.412 -7.076 12.045 136 2HB LYS 20 2HB LYS 20 5.205 -5.995 13.400 137 1HG LYS 20 1HG LYS 20 3.465 -7.281 14.339 138 2HG LYS 20 2HG LYS 20 3.128 -8.132 12.816 139 1HD LYS 20 1HD LYS 20 5.677 -8.451 14.444 140 2HD LYS 20 2HD LYS 20 4.263 -9.517 14.554 141 1HE LYS 20 1HE LYS 20 4.461 -10.083 12.163 142 2HE LYS 20 2HE LYS 20 5.844 -9.003 11.988 143 1HZ LYS 20 1HZ LYS 20 7.000 -10.362 13.632 144 2HZ LYS 20 2HZ LYS 20 5.711 -11.414 13.647 145 3HZ LYS 20 3HZ LYS 20 6.605 -11.178 12.261 146 H ASP 21 H ASP 21 3.814 -3.298 11.985 147 HA ASP 21 HA ASP 21 2.505 -2.821 14.524 148 1HB ASP 21 1HB ASP 21 3.472 -1.025 12.246 149 2HB ASP 21 2HB ASP 21 2.879 -0.437 13.784 150 H VAL 22 H VAL 22 1.419 -3.085 11.142 151 HA VAL 22 HA VAL 22 -1.277 -2.363 12.017 152 HB VAL 22 HB VAL 22 -0.933 -2.148 9.192 153 1HG1 VAL 22 1HG1 VAL 22 -1.262 -0.015 11.341 154 2HG1 VAL 22 2HG1 VAL 22 -1.570 0.262 9.608 155 3HG1 VAL 22 3HG1 VAL 22 -2.581 -0.870 10.515 156 1HG2 VAL 22 1HG2 VAL 22 0.575 -0.288 8.867 157 2HG2 VAL 22 2HG2 VAL 22 1.089 -0.332 10.567 158 3HG2 VAL 22 3HG2 VAL 22 1.480 -1.675 9.474 159 HA PRO 23 HA PRO 23 -1.814 -6.558 10.592 160 1HB PRO 23 1HB PRO 23 -4.441 -6.770 10.013 161 2HB PRO 23 2HB PRO 23 -3.896 -6.410 11.686 162 1HG PRO 23 1HG PRO 23 -4.707 -4.448 9.537 163 2HG PRO 23 2HG PRO 23 -5.394 -4.588 11.162 164 1HD PRO 23 1HD PRO 23 -3.412 -2.804 10.677 165 2HD PRO 23 2HD PRO 23 -3.394 -3.752 12.185 166 H SER 24 H SER 24 -2.698 -7.780 8.776 167 HA SER 24 HA SER 24 -1.939 -6.450 6.237 168 1HB SER 24 1HB SER 24 -1.300 -8.741 5.470 169 2HB SER 24 2HB SER 24 -0.425 -8.232 6.922 170 HG SER 24 HG SER 24 -2.544 -10.108 6.730 171 H PHE 25 H PHE 25 -3.028 -7.614 4.168 172 HA PHE 25 HA PHE 25 -5.532 -8.984 4.883 173 1HB PHE 25 1HB PHE 25 -6.124 -6.710 4.300 174 2HB PHE 25 2HB PHE 25 -5.120 -6.775 2.842 175 HD1 PHE 25 1HD PHE 25 -8.019 -8.558 4.486 176 HD2 PHE 25 2HD PHE 25 -6.221 -7.202 0.794 177 HE1 PHE 25 1HE PHE 25 -9.986 -9.364 3.216 178 HE2 PHE 25 2HE PHE 25 -8.217 -7.973 -0.445 179 HZ PHE 25 HZ PHE 25 -10.070 -9.112 0.753 180 H VAL 26 H VAL 26 -6.134 -10.421 3.086 181 HA VAL 26 HA VAL 26 -4.124 -10.839 1.088 182 HB VAL 26 HB VAL 26 -3.705 -12.327 2.968 183 1HG1 VAL 26 1HG1 VAL 26 -5.083 -14.322 3.343 184 2HG1 VAL 26 2HG1 VAL 26 -5.838 -12.796 3.836 185 3HG1 VAL 26 3HG1 VAL 26 -6.360 -13.617 2.339 186 1HG2 VAL 26 1HG2 VAL 26 -3.126 -12.914 0.585 187 2HG2 VAL 26 2HG2 VAL 26 -3.313 -14.322 1.639 188 3HG2 VAL 26 3HG2 VAL 26 -4.613 -13.879 0.508 189 H HIS 27 H HIS 27 -5.080 -11.037 -0.919 190 HA HIS 27 HA HIS 27 -7.945 -11.814 -0.951 191 1HB HIS 27 1HB HIS 27 -8.074 -10.734 -3.178 192 2HB HIS 27 2HB HIS 27 -7.941 -9.666 -1.801 193 HD1 HIS 27 1HD HIS 27 -7.236 -7.844 -3.704 194 HD2 HIS 27 2HD HIS 27 -4.591 -11.004 -3.009 195 HE1 HIS 27 1HE HIS 27 -5.001 -7.153 -4.703 196 H GLU 28 H GLU 28 -8.277 -12.872 -3.236 197 HA GLU 28 HA GLU 28 -6.522 -15.246 -2.891 198 1HB GLU 28 1HB GLU 28 -8.961 -15.390 -2.343 199 2HB GLU 28 2HB GLU 28 -9.289 -15.348 -4.083 200 1HG GLU 28 1HG GLU 28 -7.806 -17.365 -4.366 201 2HG GLU 28 2HG GLU 28 -7.434 -17.327 -2.648 202 H GLY 29 H GLY 29 -5.105 -13.708 -4.343 203 1HA GLY 29 1HA GLY 29 -3.927 -13.593 -6.337 204 2HA GLY 29 2HA GLY 29 -4.714 -15.106 -6.813 205 H GLY 30 H GLY 30 -4.455 -13.769 -8.973 206 1HA GLY 30 1HA GLY 30 -5.562 -12.775 -10.710 207 2HA GLY 30 2HA GLY 30 -6.895 -12.291 -9.629 208 H ASP 31 H ASP 31 -5.082 -10.663 -11.422 209 HA ASP 31 HA ASP 31 -3.837 -8.819 -9.553 210 1HB ASP 31 1HB ASP 31 -3.686 -7.237 -11.383 211 2HB ASP 31 2HB ASP 31 -2.961 -8.802 -11.776 212 H VAL 32 H VAL 32 -4.635 -6.565 -9.143 213 HA VAL 32 HA VAL 32 -7.536 -6.343 -9.076 214 HB VAL 32 HB VAL 32 -5.912 -7.101 -6.703 215 1HG1 VAL 32 1HG1 VAL 32 -7.482 -5.328 -5.997 216 2HG1 VAL 32 2HG1 VAL 32 -8.836 -6.257 -6.694 217 3HG1 VAL 32 3HG1 VAL 32 -7.974 -6.861 -5.285 218 1HG2 VAL 32 1HG2 VAL 32 -7.620 -8.928 -6.280 219 2HG2 VAL 32 2HG2 VAL 32 -8.328 -8.534 -7.859 220 3HG2 VAL 32 3HG2 VAL 32 -6.675 -9.156 -7.731 221 HA PRO 33 HA PRO 33 -5.541 -2.470 -8.914 222 1HB PRO 33 1HB PRO 33 -7.581 -0.723 -8.899 223 2HB PRO 33 2HB PRO 33 -7.384 -1.864 -10.268 224 1HG PRO 33 1HG PRO 33 -9.084 -2.241 -7.813 225 2HG PRO 33 2HG PRO 33 -9.649 -2.350 -9.509 226 1HD PRO 33 1HD PRO 33 -8.902 -4.584 -8.111 227 2HD PRO 33 2HD PRO 33 -8.451 -4.425 -9.833 228 H LEU 34 H LEU 34 -4.844 -0.892 -7.555 229 HA LEU 34 HA LEU 34 -4.890 -1.397 -4.868 230 1HB LEU 34 1HB LEU 34 -3.571 0.282 -4.457 231 2HB LEU 34 2HB LEU 34 -3.216 -0.198 -6.098 232 HG LEU 34 HG LEU 34 -4.583 2.306 -5.139 233 1HD1 LEU 34 1HD1 LEU 34 -2.126 2.259 -4.993 234 2HD1 LEU 34 2HD1 LEU 34 -2.043 1.796 -6.708 235 3HD1 LEU 34 3HD1 LEU 34 -2.623 3.393 -6.256 236 1HD2 LEU 34 1HD2 LEU 34 -4.610 2.991 -7.585 237 2HD2 LEU 34 2HD2 LEU 34 -4.231 1.311 -7.983 238 3HD2 LEU 34 3HD2 LEU 34 -5.770 1.720 -7.185 239 H VAL 35 H VAL 35 -7.383 0.354 -6.606 240 HA VAL 35 HA VAL 35 -8.755 1.291 -4.218 241 HB VAL 35 HB VAL 35 -8.909 2.276 -6.606 242 1HG1 VAL 35 1HG1 VAL 35 -10.817 -0.034 -7.053 243 2HG1 VAL 35 2HG1 VAL 35 -10.555 1.350 -8.120 244 3HG1 VAL 35 3HG1 VAL 35 -9.248 0.211 -7.842 245 1HG2 VAL 35 1HG2 VAL 35 -10.486 2.857 -4.688 246 2HG2 VAL 35 2HG2 VAL 35 -11.089 3.124 -6.327 247 3HG2 VAL 35 3HG2 VAL 35 -11.627 1.706 -5.403 248 H GLU 36 H GLU 36 -8.757 -1.888 -5.664 249 HA GLU 36 HA GLU 36 -11.241 -2.406 -4.092 250 1HB GLU 36 1HB GLU 36 -9.641 -4.158 -5.987 251 2HB GLU 36 2HB GLU 36 -11.022 -4.697 -5.045 252 1HG GLU 36 1HG GLU 36 -11.037 -2.681 -7.320 253 2HG GLU 36 2HG GLU 36 -11.728 -4.291 -7.316 254 H LEU 37 H LEU 37 -7.657 -3.022 -4.109 255 HA LEU 37 HA LEU 37 -8.025 -5.089 -2.029 256 1HB LEU 37 1HB LEU 37 -5.616 -5.322 -2.092 257 2HB LEU 37 2HB LEU 37 -6.288 -5.387 -3.718 258 HG LEU 37 HG LEU 37 -5.744 -2.805 -3.715 259 1HD1 LEU 37 1HD1 LEU 37 -3.905 -2.014 -2.542 260 2HD1 LEU 37 2HD1 LEU 37 -4.738 -2.931 -1.276 261 3HD1 LEU 37 3HD1 LEU 37 -3.344 -3.626 -2.111 262 1HD2 LEU 37 1HD2 LEU 37 -3.641 -4.971 -4.109 263 2HD2 LEU 37 2HD2 LEU 37 -4.833 -4.411 -5.297 264 3HD2 LEU 37 3HD2 LEU 37 -3.555 -3.324 -4.762 265 H LEU 38 H LEU 38 -7.404 -1.525 -2.184 266 HA LEU 38 HA LEU 38 -6.492 -1.782 0.456 267 1HB LEU 38 1HB LEU 38 -5.543 0.165 0.321 268 2HB LEU 38 2HB LEU 38 -5.715 -0.038 -1.386 269 HG LEU 38 HG LEU 38 -7.627 1.532 0.390 270 1HD1 LEU 38 1HD1 LEU 38 -5.315 2.491 0.338 271 2HD1 LEU 38 2HD1 LEU 38 -5.373 2.508 -1.427 272 3HD1 LEU 38 3HD1 LEU 38 -6.468 3.541 -0.485 273 1HD2 LEU 38 1HD2 LEU 38 -7.321 1.794 -2.588 274 2HD2 LEU 38 2HD2 LEU 38 -8.642 0.889 -1.829 275 3HD2 LEU 38 3HD2 LEU 38 -8.461 2.634 -1.549 276 H VAL 39 H VAL 39 -9.482 -1.142 -1.222 277 HA VAL 39 HA VAL 39 -11.012 -0.091 1.013 278 HB VAL 39 HB VAL 39 -11.333 -1.099 -1.726 279 1HG1 VAL 39 1HG1 VAL 39 -13.126 -2.486 -0.757 280 2HG1 VAL 39 2HG1 VAL 39 -13.744 -1.094 0.162 281 3HG1 VAL 39 3HG1 VAL 39 -13.868 -1.143 -1.606 282 1HG2 VAL 39 1HG2 VAL 39 -11.144 1.272 -1.141 283 2HG2 VAL 39 2HG2 VAL 39 -12.479 0.854 -2.211 284 3HG2 VAL 39 3HG2 VAL 39 -12.809 1.200 -0.496 285 H SER 40 H SER 40 -10.540 -3.324 -0.507 286 HA SER 40 HA SER 40 -12.078 -4.755 1.372 287 1HB SER 40 1HB SER 40 -11.233 -5.325 -1.052 288 2HB SER 40 2HB SER 40 -9.781 -5.915 -0.235 289 HG SER 40 HG SER 40 -11.265 -7.530 -0.573 290 H ALA 41 H ALA 41 -8.548 -3.887 1.240 291 HA ALA 41 HA ALA 41 -8.030 -5.496 3.606 292 1HB ALA 41 1HB ALA 41 -6.370 -3.274 2.335 293 2HB ALA 41 2HB ALA 41 -5.808 -4.431 3.564 294 3HB ALA 41 3HB ALA 41 -6.272 -5.002 1.958 295 H GLY 42 H GLY 42 -9.265 -2.214 3.130 296 1HA GLY 42 1HA GLY 42 -10.754 -1.432 4.813 297 2HA GLY 42 2HA GLY 42 -9.825 -2.301 6.048 298 H ILE 43 H ILE 43 -8.191 -0.627 3.541 299 HA ILE 43 HA ILE 43 -6.805 1.159 5.352 300 HB ILE 43 HB ILE 43 -6.873 0.794 2.346 301 1HG1 ILE 43 1HG1 ILE 43 -5.504 -0.912 2.358 302 2HG1 ILE 43 2HG1 ILE 43 -4.265 0.041 3.053 303 1HG2 ILE 43 1HG2 ILE 43 -5.052 2.488 4.100 304 2HG2 ILE 43 2HG2 ILE 43 -4.639 2.113 2.418 305 3HG2 ILE 43 3HG2 ILE 43 -6.096 3.034 2.772 306 1HD1 ILE 43 1HD1 ILE 43 -4.536 -1.974 4.345 307 2HD1 ILE 43 2HD1 ILE 43 -5.103 -0.626 5.366 308 3HD1 ILE 43 3HD1 ILE 43 -6.249 -1.715 4.558 309 H SER 44 H SER 44 -9.337 1.366 2.652 310 HA SER 44 HA SER 44 -10.580 3.586 4.093 311 1HB SER 44 1HB SER 44 -9.227 3.956 1.405 312 2HB SER 44 2HB SER 44 -10.631 4.926 1.897 313 HG SER 44 HG SER 44 -9.497 5.868 3.466 314 HA PRO 45 HA PRO 45 -13.247 0.624 1.927 315 1HB PRO 45 1HB PRO 45 -15.374 0.535 3.620 316 2HB PRO 45 2HB PRO 45 -13.798 -0.226 4.015 317 1HG PRO 45 1HG PRO 45 -14.849 2.473 4.917 318 2HG PRO 45 2HG PRO 45 -14.081 1.194 5.912 319 1HD PRO 45 1HD PRO 45 -12.712 3.367 4.892 320 2HD PRO 45 2HD PRO 45 -11.932 1.776 5.157 321 H SER 46 H SER 46 -13.832 3.951 2.531 322 HA SER 46 HA SER 46 -16.549 3.955 1.338 323 1HB SER 46 1HB SER 46 -16.283 5.286 3.324 324 2HB SER 46 2HB SER 46 -14.910 6.120 2.584 325 HG SER 46 HG SER 46 -17.231 7.026 2.509 326 H LYS 47 H LYS 47 -16.297 3.675 -0.908 327 HA LYS 47 HA LYS 47 -13.872 3.926 -2.090 328 1HB LYS 47 1HB LYS 47 -16.546 3.881 -3.508 329 2HB LYS 47 2HB LYS 47 -14.975 3.749 -4.315 330 1HG LYS 47 1HG LYS 47 -14.451 1.877 -2.597 331 2HG LYS 47 2HG LYS 47 -16.186 1.825 -2.298 332 1HD LYS 47 1HD LYS 47 -16.600 1.170 -4.623 333 2HD LYS 47 2HD LYS 47 -14.894 1.470 -5.047 334 1HE LYS 47 1HE LYS 47 -14.184 -0.249 -3.408 335 2HE LYS 47 2HE LYS 47 -15.878 -0.631 -3.056 336 1HZ LYS 47 1HZ LYS 47 -16.069 -1.460 -5.363 337 2HZ LYS 47 2HZ LYS 47 -14.506 -1.000 -5.676 338 3HZ LYS 47 3HZ LYS 47 -14.790 -2.151 -4.665 339 H ARG 48 H ARG 48 -15.868 6.792 -1.710 340 HA ARG 48 HA ARG 48 -14.257 8.312 -3.651 341 1HB ARG 48 1HB ARG 48 -16.506 9.057 -3.033 342 2HB ARG 48 2HB ARG 48 -16.035 9.258 -1.348 343 1HG ARG 48 1HG ARG 48 -14.436 10.752 -3.439 344 2HG ARG 48 2HG ARG 48 -16.089 11.290 -3.140 345 1HD ARG 48 1HD ARG 48 -15.672 11.701 -0.816 346 2HD ARG 48 2HD ARG 48 -14.089 10.943 -0.873 347 HE ARG 48 HE ARG 48 -14.843 13.612 -1.865 348 1HH1 ARG 48 2HH2 ARG 48 -12.155 11.163 -1.863 349 2HH1 ARG 48 1HH2 ARG 48 -10.995 12.476 -1.718 350 1HH2 ARG 48 2HH1 ARG 48 -13.017 15.193 -1.898 351 2HH2 ARG 48 1HH1 ARG 48 -11.417 14.500 -1.820 352 H GLN 49 H GLN 49 -14.144 7.646 -0.142 353 HA GLN 49 HA GLN 49 -11.944 9.431 0.428 354 1HB GLN 49 1HB GLN 49 -13.672 8.062 2.024 355 2HB GLN 49 2HB GLN 49 -12.425 6.826 1.944 356 1HG GLN 49 1HG GLN 49 -11.773 9.693 2.759 357 2HG GLN 49 2HG GLN 49 -12.420 8.519 3.900 358 1HE2 GLN 49 1HE2 GLN 49 -9.538 9.101 1.744 359 2HE2 GLN 49 2HE2 GLN 49 -8.497 8.080 2.685 360 H ALA 50 H ALA 50 -12.347 5.946 -0.202 361 HA ALA 50 HA ALA 50 -9.765 5.164 -0.306 362 1HB ALA 50 1HB ALA 50 -10.512 3.299 -1.591 363 2HB ALA 50 2HB ALA 50 -11.947 3.786 -0.661 364 3HB ALA 50 3HB ALA 50 -11.784 4.204 -2.378 365 H ARG 51 H ARG 51 -11.694 6.383 -3.122 366 HA ARG 51 HA ARG 51 -9.584 6.275 -4.908 367 1HB ARG 51 1HB ARG 51 -11.954 6.549 -5.545 368 2HB ARG 51 2HB ARG 51 -11.902 8.240 -5.006 369 1HG ARG 51 1HG ARG 51 -10.268 8.790 -6.700 370 2HG ARG 51 2HG ARG 51 -10.034 7.095 -7.145 371 1HD ARG 51 1HD ARG 51 -12.667 8.595 -7.461 372 2HD ARG 51 2HD ARG 51 -11.448 8.484 -8.716 373 HE ARG 51 HE ARG 51 -12.751 6.068 -7.516 374 1HH1 ARG 51 2HH2 ARG 51 -11.481 7.643 -10.463 375 2HH1 ARG 51 1HH2 ARG 51 -12.245 6.501 -11.511 376 1HH2 ARG 51 2HH1 ARG 51 -13.467 4.437 -8.954 377 2HH2 ARG 51 1HH1 ARG 51 -13.316 4.629 -10.633 378 H GLU 52 H GLU 52 -10.265 8.899 -2.588 379 HA GLU 52 HA GLU 52 -7.878 10.258 -3.825 380 1HB GLU 52 1HB GLU 52 -9.771 11.568 -3.015 381 2HB GLU 52 2HB GLU 52 -9.373 11.107 -1.337 382 1HG GLU 52 1HG GLU 52 -7.185 12.211 -1.542 383 2HG GLU 52 2HG GLU 52 -7.444 12.479 -3.271 384 H ASP 53 H ASP 53 -8.460 8.077 -1.172 385 HA ASP 53 HA ASP 53 -5.929 8.424 0.144 386 1HB ASP 53 1HB ASP 53 -8.233 6.835 0.589 387 2HB ASP 53 2HB ASP 53 -7.087 5.650 0.015 388 H ILE 54 H ILE 54 -6.876 6.955 -2.723 389 HA ILE 54 HA ILE 54 -4.293 5.748 -3.172 390 HB ILE 54 HB ILE 54 -6.797 6.164 -4.859 391 1HG1 ILE 54 1HG1 ILE 54 -5.692 3.530 -3.806 392 2HG1 ILE 54 2HG1 ILE 54 -6.836 4.479 -2.906 393 1HG2 ILE 54 1HG2 ILE 54 -4.259 4.729 -5.655 394 2HG2 ILE 54 2HG2 ILE 54 -5.809 4.596 -6.533 395 3HG2 ILE 54 3HG2 ILE 54 -4.986 6.141 -6.434 396 1HD1 ILE 54 1HD1 ILE 54 -8.189 4.522 -5.225 397 2HD1 ILE 54 2HD1 ILE 54 -7.248 3.031 -5.445 398 3HD1 ILE 54 3HD1 ILE 54 -8.331 3.257 -4.026 399 H GLN 55 H GLN 55 -6.296 8.437 -4.638 400 HA GLN 55 HA GLN 55 -4.230 9.026 -6.459 401 1HB GLN 55 1HB GLN 55 -6.773 10.465 -5.683 402 2HB GLN 55 2HB GLN 55 -5.654 11.059 -6.904 403 1HG GLN 55 1HG GLN 55 -5.783 8.904 -8.119 404 2HG GLN 55 2HG GLN 55 -7.008 8.329 -6.995 405 1HE2 GLN 55 1HE2 GLN 55 -6.745 9.375 -9.997 406 2HE2 GLN 55 2HE2 GLN 55 -7.982 10.642 -10.102 407 H ASN 56 H ASN 56 -4.330 9.786 -3.153 408 HA ASN 56 HA ASN 56 -2.489 12.044 -3.543 409 1HB ASN 56 1HB ASN 56 -3.305 10.248 -1.150 410 2HB ASN 56 2HB ASN 56 -2.142 11.553 -0.964 411 1HD2 ASN 56 1HD2 ASN 56 -4.231 13.168 -2.859 412 2HD2 ASN 56 2HD2 ASN 56 -5.406 13.674 -1.680 413 H GLY 57 H GLY 57 -0.507 12.103 -3.736 414 1HA GLY 57 1HA GLY 57 1.224 9.870 -3.785 415 2HA GLY 57 2HA GLY 57 1.694 11.579 -3.638 416 H ALA 58 H ALA 58 -0.391 10.479 -1.201 417 HA ALA 58 HA ALA 58 1.676 10.268 0.903 418 1HB ALA 58 1HB ALA 58 -0.240 10.190 2.405 419 2HB ALA 58 2HB ALA 58 -0.439 11.566 1.297 420 3HB ALA 58 3HB ALA 58 -1.344 10.060 1.003 421 H ILE 59 H ILE 59 -0.177 8.098 -1.309 422 HA ILE 59 HA ILE 59 0.417 5.762 0.422 423 HB ILE 59 HB ILE 59 -1.591 6.272 -0.109 424 1HG1 ILE 59 1HG1 ILE 59 -1.346 4.097 0.368 425 2HG1 ILE 59 2HG1 ILE 59 -2.762 4.467 -0.625 426 1HG2 ILE 59 1HG2 ILE 59 -2.359 5.760 -2.678 427 2HG2 ILE 59 2HG2 ILE 59 -2.269 7.302 -1.881 428 3HG2 ILE 59 3HG2 ILE 59 -0.903 6.730 -2.876 429 1HD1 ILE 59 1HD1 ILE 59 -0.179 3.261 -1.498 430 2HD1 ILE 59 2HD1 ILE 59 -1.852 2.555 -1.473 431 3HD1 ILE 59 3HD1 ILE 59 -1.450 3.833 -2.635 432 H TYR 60 H TYR 60 2.393 5.823 0.472 433 HA TYR 60 HA TYR 60 4.150 5.497 -1.795 434 1HB TYR 60 1HB TYR 60 4.580 5.288 1.182 435 2HB TYR 60 2HB TYR 60 5.843 5.287 -0.013 436 HD1 TYR 60 1HD TYR 60 3.540 7.287 2.022 437 HD2 TYR 60 2HD TYR 60 6.411 7.449 -1.201 438 HE1 TYR 60 1HE TYR 60 3.989 9.638 2.548 439 HE2 TYR 60 2HE TYR 60 6.855 9.821 -0.683 440 HH TYR 60 HH TYR 60 5.818 11.212 2.328 441 H VAL 61 H VAL 61 3.978 3.555 -2.799 442 HA VAL 61 HA VAL 61 3.077 1.199 -1.205 443 HB VAL 61 HB VAL 61 2.122 1.717 -3.568 444 1HG1 VAL 61 1HG1 VAL 61 4.750 0.417 -4.427 445 2HG1 VAL 61 2HG1 VAL 61 3.448 0.948 -5.476 446 3HG1 VAL 61 3HG1 VAL 61 4.396 2.136 -4.583 447 1HG2 VAL 61 1HG2 VAL 61 1.761 -0.378 -2.358 448 2HG2 VAL 61 2HG2 VAL 61 1.972 -0.685 -4.080 449 3HG2 VAL 61 3HG2 VAL 61 3.300 -1.022 -2.949 450 H ASN 62 H ASN 62 4.793 -0.245 -0.602 451 HA ASN 62 HA ASN 62 6.969 -1.057 -0.387 452 1HB ASN 62 1HB ASN 62 7.092 -0.233 -3.277 453 2HB ASN 62 2HB ASN 62 8.496 -0.829 -2.458 454 1HD2 ASN 62 1HD2 ASN 62 5.109 -1.926 -1.837 455 2HD2 ASN 62 2HD2 ASN 62 5.423 -3.478 -2.626 456 H GLY 63 H GLY 63 6.324 2.191 -0.264 457 1HA GLY 63 1HA GLY 63 7.660 3.685 1.128 458 2HA GLY 63 2HA GLY 63 9.116 3.007 0.417 459 H GLU 64 H GLU 64 6.892 3.310 -2.202 460 HA GLU 64 HA GLU 64 8.095 5.901 -2.942 461 1HB GLU 64 1HB GLU 64 8.193 4.947 -5.223 462 2HB GLU 64 2HB GLU 64 9.374 4.323 -4.068 463 1HG GLU 64 1HG GLU 64 8.045 2.245 -3.846 464 2HG GLU 64 2HG GLU 64 6.865 2.871 -5.025 465 H ARG 65 H ARG 65 6.746 7.300 -3.858 466 HA ARG 65 HA ARG 65 3.964 7.058 -3.205 467 1HB ARG 65 1HB ARG 65 4.993 9.176 -2.947 468 2HB ARG 65 2HB ARG 65 5.852 9.074 -4.474 469 1HG ARG 65 1HG ARG 65 2.919 9.128 -4.796 470 2HG ARG 65 2HG ARG 65 3.600 10.548 -3.983 471 1HD ARG 65 1HD ARG 65 5.001 11.114 -5.811 472 2HD ARG 65 2HD ARG 65 4.799 9.548 -6.558 473 HE ARG 65 HE ARG 65 2.567 11.537 -6.331 474 1HH1 ARG 65 2HH2 ARG 65 4.545 9.398 -8.432 475 2HH1 ARG 65 1HH2 ARG 65 3.517 9.643 -9.798 476 1HH2 ARG 65 2HH1 ARG 65 1.233 11.732 -8.083 477 2HH2 ARG 65 1HH1 ARG 65 1.539 10.853 -9.571 478 H LEU 66 H LEU 66 2.608 5.718 -4.401 479 HA LEU 66 HA LEU 66 2.774 5.972 -7.379 480 1HB LEU 66 1HB LEU 66 3.178 3.533 -5.729 481 2HB LEU 66 2HB LEU 66 2.548 3.428 -7.353 482 HG LEU 66 HG LEU 66 5.273 4.500 -6.522 483 1HD1 LEU 66 1HD1 LEU 66 6.078 2.672 -8.006 484 2HD1 LEU 66 2HD1 LEU 66 5.166 2.079 -6.632 485 3HD1 LEU 66 3HD1 LEU 66 4.394 2.147 -8.237 486 1HD2 LEU 66 1HD2 LEU 66 5.844 4.769 -8.885 487 2HD2 LEU 66 2HD2 LEU 66 4.199 4.356 -9.376 488 3HD2 LEU 66 3HD2 LEU 66 4.529 5.860 -8.498 489 H GLN 67 H GLN 67 0.974 7.370 -6.603 490 HA GLN 67 HA GLN 67 -1.402 6.252 -5.524 491 1HB GLN 67 1HB GLN 67 -2.277 8.585 -5.933 492 2HB GLN 67 2HB GLN 67 -0.910 8.402 -4.870 493 1HG GLN 67 1HG GLN 67 -1.203 10.410 -6.134 494 2HG GLN 67 2HG GLN 67 0.339 9.787 -6.222 495 1HE2 GLN 67 1HE2 GLN 67 -0.108 7.879 -8.589 496 2HE2 GLN 67 2HE2 GLN 67 -0.728 8.863 -9.887 497 H ASP 68 H ASP 68 -0.954 4.837 -8.120 498 HA ASP 68 HA ASP 68 -3.606 5.477 -9.256 499 1HB ASP 68 1HB ASP 68 -1.784 6.737 -10.430 500 2HB ASP 68 2HB ASP 68 -1.099 5.198 -10.937 501 H VAL 69 H VAL 69 -4.446 3.958 -10.710 502 HA VAL 69 HA VAL 69 -4.176 1.106 -10.136 503 HB VAL 69 HB VAL 69 -5.678 2.638 -12.092 504 1HG1 VAL 69 1HG1 VAL 69 -7.230 0.688 -12.251 505 2HG1 VAL 69 2HG1 VAL 69 -5.613 0.307 -12.829 506 3HG1 VAL 69 3HG1 VAL 69 -6.108 -0.224 -11.213 507 1HG2 VAL 69 1HG2 VAL 69 -6.385 3.271 -9.818 508 2HG2 VAL 69 2HG2 VAL 69 -7.653 2.334 -10.603 509 3HG2 VAL 69 3HG2 VAL 69 -6.598 1.550 -9.414 510 H GLY 70 H GLY 70 -2.863 3.308 -12.631 511 1HA GLY 70 1HA GLY 70 -1.633 1.076 -14.061 512 2HA GLY 70 2HA GLY 70 -1.452 2.818 -14.352 513 H ALA 71 H ALA 71 -1.060 2.601 -11.167 514 HA ALA 71 HA ALA 71 1.875 2.320 -11.363 515 1HB ALA 71 1HB ALA 71 0.435 3.276 -8.890 516 2HB ALA 71 2HB ALA 71 2.136 3.410 -9.386 517 3HB ALA 71 3HB ALA 71 0.924 4.363 -10.223 518 H ILE 72 H ILE 72 -0.816 1.142 -9.081 519 HA ILE 72 HA ILE 72 0.516 -1.491 -9.261 520 HB ILE 72 HB ILE 72 -0.740 -0.520 -6.743 521 1HG1 ILE 72 1HG1 ILE 72 1.995 -0.376 -6.343 522 2HG1 ILE 72 2HG1 ILE 72 1.889 0.399 -7.848 523 1HG2 ILE 72 1HG2 ILE 72 0.848 -2.214 -5.767 524 2HG2 ILE 72 2HG2 ILE 72 -0.275 -2.924 -6.900 525 3HG2 ILE 72 3HG2 ILE 72 1.384 -2.611 -7.419 526 1HD1 ILE 72 1HD1 ILE 72 0.167 1.962 -6.943 527 2HD1 ILE 72 2HD1 ILE 72 0.194 1.112 -5.376 528 3HD1 ILE 72 3HD1 ILE 72 1.598 2.002 -5.921 529 H LEU 73 H LEU 73 -0.728 -3.309 -9.460 530 HA LEU 73 HA LEU 73 -3.566 -3.177 -8.908 531 1HB LEU 73 1HB LEU 73 -2.101 -4.982 -10.833 532 2HB LEU 73 2HB LEU 73 -3.790 -5.122 -10.348 533 HG LEU 73 HG LEU 73 -2.618 -2.671 -11.708 534 1HD1 LEU 73 1HD1 LEU 73 -4.371 -4.856 -12.901 535 2HD1 LEU 73 2HD1 LEU 73 -3.766 -3.407 -13.735 536 3HD1 LEU 73 3HD1 LEU 73 -2.635 -4.656 -13.225 537 1HD2 LEU 73 1HD2 LEU 73 -4.986 -2.123 -12.236 538 2HD2 LEU 73 2HD2 LEU 73 -5.462 -3.332 -11.029 539 3HD2 LEU 73 3HD2 LEU 73 -4.463 -1.894 -10.579 540 H THR 74 H THR 74 -1.248 -5.936 -9.176 541 HA THR 74 HA THR 74 -1.639 -6.364 -6.310 542 HB THR 74 HB THR 74 -1.011 -8.784 -7.356 543 HG1 THR 74 1HG THR 74 -1.206 -8.834 -9.422 544 1HG2 THR 74 1HG2 THR 74 -3.008 -8.030 -6.061 545 2HG2 THR 74 2HG2 THR 74 -3.697 -7.381 -7.540 546 3HG2 THR 74 3HG2 THR 74 -3.397 -9.133 -7.359 547 H ALA 75 H ALA 75 0.033 -8.222 -5.599 548 HA ALA 75 HA ALA 75 2.388 -6.898 -5.049 549 1HB ALA 75 1HB ALA 75 1.792 -9.898 -5.129 550 2HB ALA 75 2HB ALA 75 3.202 -9.184 -4.352 551 3HB ALA 75 3HB ALA 75 1.568 -8.828 -3.733 552 H GLU 76 H GLU 76 2.042 -9.378 -7.658 553 HA GLU 76 HA GLU 76 4.801 -9.099 -8.463 554 1HB GLU 76 1HB GLU 76 3.293 -11.083 -8.818 555 2HB GLU 76 2HB GLU 76 2.399 -10.119 -9.973 556 1HG GLU 76 1HG GLU 76 4.727 -9.927 -11.212 557 2HG GLU 76 2HG GLU 76 5.176 -11.291 -10.185 558 H HIS 77 H HIS 77 2.106 -7.027 -8.788 559 HA HIS 77 HA HIS 77 3.031 -5.751 -11.297 560 1HB HIS 77 1HB HIS 77 0.614 -6.072 -10.676 561 2HB HIS 77 2HB HIS 77 0.860 -4.869 -9.413 562 HD1 HIS 77 1HD HIS 77 1.937 -2.414 -10.468 563 HD2 HIS 77 2HD HIS 77 -0.538 -5.005 -12.617 564 HE1 HIS 77 1HE HIS 77 0.322 -0.967 -11.743 565 H ARG 78 H ARG 78 3.872 -5.784 -7.900 566 HA ARG 78 HA ARG 78 5.043 -3.072 -8.188 567 1HB ARG 78 1HB ARG 78 3.163 -3.521 -6.416 568 2HB ARG 78 2HB ARG 78 4.403 -4.332 -5.530 569 1HG ARG 78 1HG ARG 78 4.026 -1.402 -6.100 570 2HG ARG 78 2HG ARG 78 4.411 -2.212 -4.611 571 1HD ARG 78 1HD ARG 78 6.354 -1.008 -5.107 572 2HD ARG 78 2HD ARG 78 6.748 -2.656 -5.623 573 HE ARG 78 HE ARG 78 5.712 -1.008 -7.783 574 1HH1 ARG 78 2HH2 ARG 78 8.718 -1.703 -5.965 575 2HH1 ARG 78 1HH2 ARG 78 9.714 -1.510 -7.360 576 1HH2 ARG 78 2HH1 ARG 78 6.975 -0.843 -9.525 577 2HH2 ARG 78 1HH1 ARG 78 8.655 -1.281 -9.484 578 H LEU 79 H LEU 79 5.650 -6.008 -6.085 579 HA LEU 79 HA LEU 79 8.495 -5.747 -6.644 580 1HB LEU 79 1HB LEU 79 8.314 -7.550 -4.711 581 2HB LEU 79 2HB LEU 79 8.312 -5.812 -4.440 582 HG LEU 79 HG LEU 79 5.639 -7.200 -4.483 583 1HD1 LEU 79 1HD1 LEU 79 7.093 -8.558 -2.925 584 2HD1 LEU 79 2HD1 LEU 79 7.680 -7.055 -2.195 585 3HD1 LEU 79 3HD1 LEU 79 6.005 -7.506 -1.969 586 1HD2 LEU 79 1HD2 LEU 79 6.768 -5.070 -2.635 587 2HD2 LEU 79 2HD2 LEU 79 6.111 -4.659 -4.225 588 3HD2 LEU 79 3HD2 LEU 79 5.082 -5.416 -3.028 589 H GLU 80 H GLU 80 9.299 -8.245 -6.331 590 HA GLU 80 HA GLU 80 9.168 -9.555 -8.682 591 1HB GLU 80 1HB GLU 80 10.137 -11.413 -7.498 592 2HB GLU 80 2HB GLU 80 10.704 -9.903 -6.794 593 1HG GLU 80 1HG GLU 80 8.586 -10.283 -5.142 594 2HG GLU 80 2HG GLU 80 8.805 -11.957 -5.633 595 H GLY 81 H GLY 81 6.641 -9.734 -6.275 596 1HA GLY 81 1HA GLY 81 4.501 -10.749 -6.896 597 2HA GLY 81 2HA GLY 81 5.453 -12.090 -7.532 598 H ARG 82 H ARG 82 5.127 -10.167 -4.532 599 HA ARG 82 HA ARG 82 4.664 -12.677 -3.064 600 1HB ARG 82 1HB ARG 82 7.026 -10.912 -2.574 601 2HB ARG 82 2HB ARG 82 6.093 -11.290 -1.131 602 1HG ARG 82 1HG ARG 82 7.233 -13.380 -3.002 603 2HG ARG 82 2HG ARG 82 7.958 -12.831 -1.486 604 1HD ARG 82 1HD ARG 82 5.827 -13.509 -0.282 605 2HD ARG 82 2HD ARG 82 5.270 -14.233 -1.788 606 HE ARG 82 HE ARG 82 7.002 -15.821 -1.735 607 1HH1 ARG 82 2HH2 ARG 82 6.945 -13.884 1.234 608 2HH1 ARG 82 1HH2 ARG 82 7.895 -14.986 2.154 609 1HH2 ARG 82 2HH1 ARG 82 8.107 -17.380 -0.461 610 2HH2 ARG 82 1HH1 ARG 82 8.846 -16.865 1.032 611 H PHE 83 H PHE 83 5.139 -9.332 -1.950 612 HA PHE 83 HA PHE 83 2.316 -9.324 -0.994 613 1HB PHE 83 1HB PHE 83 4.780 -8.238 0.418 614 2HB PHE 83 2HB PHE 83 3.143 -8.375 1.050 615 HD1 PHE 83 1HD PHE 83 5.857 -9.374 2.245 616 HD2 PHE 83 2HD PHE 83 2.684 -11.354 0.075 617 HE1 PHE 83 1HE PHE 83 6.304 -11.481 3.461 618 HE2 PHE 83 2HE PHE 83 3.153 -13.438 1.280 619 HZ PHE 83 HZ PHE 83 4.900 -13.488 3.007 620 H THR 84 H THR 84 2.171 -6.775 -0.017 621 HA THR 84 HA THR 84 3.814 -4.932 -1.480 622 HB THR 84 HB THR 84 1.217 -5.617 -2.548 623 HG1 THR 84 1HG THR 84 3.014 -5.502 -3.682 624 1HG2 THR 84 1HG2 THR 84 0.252 -3.668 -1.417 625 2HG2 THR 84 2HG2 THR 84 1.619 -2.659 -1.929 626 3HG2 THR 84 3HG2 THR 84 0.481 -3.306 -3.134 627 H VAL 85 H VAL 85 4.379 -3.481 -0.140 628 HA VAL 85 HA VAL 85 3.062 -3.009 2.444 629 HB VAL 85 HB VAL 85 5.475 -1.684 1.095 630 1HG1 VAL 85 1HG1 VAL 85 4.610 -0.384 3.015 631 2HG1 VAL 85 2HG1 VAL 85 4.789 -1.816 4.051 632 3HG1 VAL 85 3HG1 VAL 85 6.218 -1.041 3.327 633 1HG2 VAL 85 1HG2 VAL 85 5.311 -4.170 2.791 634 2HG2 VAL 85 2HG2 VAL 85 6.134 -3.939 1.226 635 3HG2 VAL 85 3HG2 VAL 85 6.769 -3.186 2.697 636 H ILE 86 H ILE 86 1.467 -1.391 2.604 637 HA ILE 86 HA ILE 86 1.371 0.758 0.522 638 HB ILE 86 HB ILE 86 -0.695 -0.550 2.308 639 1HG1 ILE 86 1HG1 ILE 86 -0.060 -1.738 0.120 640 2HG1 ILE 86 2HG1 ILE 86 -1.770 -1.388 0.352 641 1HG2 ILE 86 1HG2 ILE 86 -2.377 0.994 1.109 642 2HG2 ILE 86 2HG2 ILE 86 -1.287 1.845 2.208 643 3HG2 ILE 86 3HG2 ILE 86 -0.959 1.887 0.501 644 1HD1 ILE 86 1HD1 ILE 86 -0.019 0.532 -1.216 645 2HD1 ILE 86 2HD1 ILE 86 -0.792 -0.882 -1.974 646 3HD1 ILE 86 3HD1 ILE 86 -1.784 0.367 -1.212 647 H ARG 87 H ARG 87 2.601 2.463 1.500 648 HA ARG 87 HA ARG 87 2.105 2.943 4.411 649 1HB ARG 87 1HB ARG 87 4.423 2.730 3.878 650 2HB ARG 87 2HB ARG 87 4.285 3.766 2.512 651 1HG ARG 87 1HG ARG 87 3.656 5.677 4.147 652 2HG ARG 87 2HG ARG 87 4.180 4.585 5.438 653 1HD ARG 87 1HD ARG 87 6.424 4.464 4.467 654 2HD ARG 87 2HD ARG 87 5.873 5.276 3.002 655 HE ARG 87 HE ARG 87 5.555 6.810 5.480 656 1HH1 ARG 87 2HH2 ARG 87 7.473 6.264 2.514 657 2HH1 ARG 87 1HH2 ARG 87 8.379 7.716 2.631 658 1HH2 ARG 87 2HH1 ARG 87 7.065 8.500 5.845 659 2HH2 ARG 87 1HH1 ARG 87 8.320 8.838 4.720 660 H ARG 88 H ARG 88 -0.088 3.699 4.039 661 HA ARG 88 HA ARG 88 -0.160 6.159 2.469 662 1HB ARG 88 1HB ARG 88 -2.149 4.404 2.498 663 2HB ARG 88 2HB ARG 88 -2.671 5.329 3.911 664 1HG ARG 88 1HG ARG 88 -1.748 7.067 1.691 665 2HG ARG 88 2HG ARG 88 -3.011 5.866 1.250 666 1HD ARG 88 1HD ARG 88 -4.210 7.431 1.474 667 2HD ARG 88 2HD ARG 88 -4.231 6.913 3.186 668 HE ARG 88 HE ARG 88 -2.228 8.880 2.950 669 1HH1 ARG 88 2HH2 ARG 88 -5.729 8.938 2.243 670 2HH1 ARG 88 1HH2 ARG 88 -5.665 10.578 1.640 671 1HH2 ARG 88 2HH1 ARG 88 -2.365 11.239 2.616 672 2HH2 ARG 88 1HH1 ARG 88 -3.815 11.813 1.868 673 H GLY 89 H GLY 89 0.620 7.847 3.628 674 1HA GLY 89 1HA GLY 89 1.005 7.863 6.374 675 2HA GLY 89 2HA GLY 89 1.004 9.287 5.362 676 H LYS 90 H LYS 90 -2.070 7.875 5.225 677 HA LYS 90 HA LYS 90 -3.435 9.712 7.019 678 1HB LYS 90 1HB LYS 90 -4.607 8.722 5.093 679 2HB LYS 90 2HB LYS 90 -4.312 7.082 5.701 680 1HG LYS 90 1HG LYS 90 -5.770 7.502 7.637 681 2HG LYS 90 2HG LYS 90 -5.875 9.209 7.205 682 1HD LYS 90 1HD LYS 90 -7.891 8.452 6.496 683 2HD LYS 90 2HD LYS 90 -6.997 8.411 4.996 684 1HE LYS 90 1HE LYS 90 -7.505 5.992 6.820 685 2HE LYS 90 2HE LYS 90 -8.549 6.471 5.487 686 1HZ LYS 90 1HZ LYS 90 -5.804 5.443 5.205 687 2HZ LYS 90 2HZ LYS 90 -7.220 4.795 4.696 688 3HZ LYS 90 3HZ LYS 90 -6.665 6.103 3.960 689 H LYS 91 H LYS 91 -2.226 6.365 7.164 690 HA LYS 91 HA LYS 91 -2.139 6.509 10.105 691 1HB LYS 91 1HB LYS 91 -4.135 5.420 9.937 692 2HB LYS 91 2HB LYS 91 -3.584 4.313 8.695 693 1HG LYS 91 1HG LYS 91 -2.081 3.198 10.242 694 2HG LYS 91 2HG LYS 91 -2.350 4.437 11.492 695 1HD LYS 91 1HD LYS 91 -4.599 3.762 11.808 696 2HD LYS 91 2HD LYS 91 -4.587 2.788 10.309 697 1HE LYS 91 1HE LYS 91 -2.697 1.419 11.405 698 2HE LYS 91 2HE LYS 91 -3.139 2.192 12.930 699 1HZ LYS 91 1HZ LYS 91 -4.161 0.035 12.617 700 2HZ LYS 91 2HZ LYS 91 -5.282 1.195 12.781 701 3HZ LYS 91 3HZ LYS 91 -4.950 0.514 11.270 702 H LYS 92 H LYS 92 -1.329 3.661 7.939 703 HA LYS 92 HA LYS 92 1.472 4.394 8.188 704 1HB LYS 92 1HB LYS 92 0.223 3.270 10.396 705 2HB LYS 92 2HB LYS 92 0.698 1.839 9.550 706 1HG LYS 92 1HG LYS 92 2.571 2.206 10.839 707 2HG LYS 92 2HG LYS 92 3.033 3.115 9.390 708 1HD LYS 92 1HD LYS 92 1.591 4.630 11.520 709 2HD LYS 92 2HD LYS 92 3.221 4.102 11.896 710 1HE LYS 92 1HE LYS 92 2.741 5.507 9.264 711 2HE LYS 92 2HE LYS 92 2.711 6.445 10.741 712 1HZ LYS 92 1HZ LYS 92 4.852 6.499 9.854 713 2HZ LYS 92 2HZ LYS 92 4.933 5.695 11.255 714 3HZ LYS 92 3HZ LYS 92 5.048 4.863 9.833 715 H TYR 93 H TYR 93 2.110 1.558 8.140 716 HA TYR 93 HA TYR 93 2.151 1.112 5.252 717 1HB TYR 93 1HB TYR 93 3.841 -0.554 6.974 718 2HB TYR 93 2HB TYR 93 4.121 0.138 5.411 719 HD1 TYR 93 1HD TYR 93 5.700 2.040 5.351 720 HD2 TYR 93 2HD TYR 93 4.028 0.700 9.079 721 HE1 TYR 93 1HE TYR 93 7.030 3.749 6.552 722 HE2 TYR 93 2HE TYR 93 5.421 2.326 10.290 723 HH TYR 93 HH TYR 93 7.823 3.868 9.387 724 H TYR 94 H TYR 94 -0.165 0.138 5.183 725 HA TYR 94 HA TYR 94 -0.595 -2.212 6.836 726 1HB TYR 94 1HB TYR 94 -2.259 -1.668 4.448 727 2HB TYR 94 2HB TYR 94 -2.696 -2.077 6.082 728 HD1 TYR 94 1HD TYR 94 -2.970 -0.221 7.838 729 HD2 TYR 94 2HD TYR 94 -2.037 0.495 3.740 730 HE1 TYR 94 1HE TYR 94 -3.344 2.189 8.199 731 HE2 TYR 94 2HE TYR 94 -2.328 2.924 4.048 732 HH TYR 94 HH TYR 94 -2.181 4.545 5.853 733 H LEU 95 H LEU 95 -0.496 -4.323 6.068 734 HA LEU 95 HA LEU 95 1.168 -4.677 3.671 735 1HB LEU 95 1HB LEU 95 1.915 -5.626 5.763 736 2HB LEU 95 2HB LEU 95 0.405 -6.497 5.962 737 HG LEU 95 HG LEU 95 0.948 -7.945 4.033 738 1HD1 LEU 95 1HD1 LEU 95 3.369 -6.116 3.836 739 2HD1 LEU 95 2HD1 LEU 95 3.362 -7.756 3.153 740 3HD1 LEU 95 3HD1 LEU 95 2.220 -6.546 2.555 741 1HD2 LEU 95 1HD2 LEU 95 3.282 -7.703 5.990 742 2HD2 LEU 95 2HD2 LEU 95 1.771 -8.574 6.299 743 3HD2 LEU 95 3HD2 LEU 95 2.856 -9.138 5.027 744 H ILE 96 H ILE 96 0.489 -5.777 1.876 745 HA ILE 96 HA ILE 96 -2.234 -7.016 1.866 746 HB ILE 96 HB ILE 96 -0.899 -5.608 -0.470 747 1HG1 ILE 96 1HG1 ILE 96 -1.332 -3.871 1.245 748 2HG1 ILE 96 2HG1 ILE 96 -2.212 -3.663 -0.237 749 1HG2 ILE 96 1HG2 ILE 96 -2.540 -7.299 -1.101 750 2HG2 ILE 96 2HG2 ILE 96 -3.754 -6.586 -0.029 751 3HG2 ILE 96 3HG2 ILE 96 -3.180 -5.708 -1.461 752 1HD1 ILE 96 1HD1 ILE 96 -3.561 -3.145 1.780 753 2HD1 ILE 96 2HD1 ILE 96 -4.289 -4.413 0.782 754 3HD1 ILE 96 3HD1 ILE 96 -3.440 -4.841 2.286 755 H ARG 97 H ARG 97 -2.054 -9.248 1.254 756 HA ARG 97 HA ARG 97 -0.052 -9.748 -0.850 757 1HB ARG 97 1HB ARG 97 0.205 -11.964 0.221 758 2HB ARG 97 2HB ARG 97 0.947 -10.638 1.085 759 1HG ARG 97 1HG ARG 97 -0.669 -10.766 2.844 760 2HG ARG 97 2HG ARG 97 -1.683 -11.883 1.911 761 1HD ARG 97 1HD ARG 97 0.156 -13.548 1.888 762 2HD ARG 97 2HD ARG 97 1.170 -12.450 2.834 763 HE ARG 97 HE ARG 97 -0.472 -12.617 4.661 764 1HH1 ARG 97 2HH2 ARG 97 0.061 -15.441 2.435 765 2HH1 ARG 97 1HH2 ARG 97 -0.512 -16.528 3.656 766 1HH2 ARG 97 2HH1 ARG 97 -1.238 -14.237 6.159 767 2HH2 ARG 97 1HH1 ARG 97 -1.160 -15.901 5.645 768 H TYR 98 H TYR 98 -0.576 -12.033 -1.851 769 HA TYR 98 HA TYR 98 -3.438 -12.333 -2.118 770 1HB TYR 98 1HB TYR 98 -2.640 -13.734 -4.155 771 2HB TYR 98 2HB TYR 98 -3.031 -12.033 -4.315 772 HD1 TYR 98 1HD TYR 98 0.151 -13.756 -3.147 773 HD2 TYR 98 2HD TYR 98 -1.806 -11.355 -6.178 774 HE1 TYR 98 1HE TYR 98 2.282 -13.560 -4.376 775 HE2 TYR 98 2HE TYR 98 0.335 -11.168 -7.401 776 HH TYR 98 HH TYR 98 2.905 -13.265 -6.851 777 H ALA 99 H ALA 99 -4.069 -14.534 -2.281 778 HA ALA 99 HA ALA 99 -3.297 -16.095 -0.127 779 1HB ALA 99 1HB ALA 99 -4.843 -16.867 -2.645 780 2HB ALA 99 2HB ALA 99 -4.826 -17.782 -1.130 781 3HB ALA 99 3HB ALA 99 -5.519 -16.157 -1.154 Start of MODEL 8 1 1H ALA 1 1H ALA 1 13.356 -12.440 -3.701 2 2H ALA 1 2H ALA 1 14.168 -13.014 -4.991 3 3H ALA 1 3H ALA 1 13.369 -14.068 -3.997 4 HA ALA 1 HA ALA 1 14.841 -13.444 -2.186 5 1HB ALA 1 1HB ALA 1 16.847 -14.626 -2.998 6 2HB ALA 1 2HB ALA 1 15.362 -15.446 -3.499 7 3HB ALA 1 3HB ALA 1 16.280 -14.478 -4.666 8 H LEU 2 H LEU 2 17.679 -12.773 -2.716 9 HA LEU 2 HA LEU 2 17.280 -9.937 -2.462 10 1HB LEU 2 1HB LEU 2 19.424 -11.801 -1.897 11 2HB LEU 2 2HB LEU 2 20.076 -10.526 -2.921 12 HG LEU 2 HG LEU 2 18.563 -10.118 -0.316 13 1HD1 LEU 2 1HD1 LEU 2 20.825 -11.048 -0.027 14 2HD1 LEU 2 2HD1 LEU 2 21.510 -9.731 -1.002 15 3HD1 LEU 2 3HD1 LEU 2 20.744 -9.381 0.558 16 1HD2 LEU 2 1HD2 LEU 2 19.266 -7.754 -0.477 17 2HD2 LEU 2 2HD2 LEU 2 19.881 -8.046 -2.123 18 3HD2 LEU 2 3HD2 LEU 2 18.143 -8.159 -1.753 19 H PHE 3 H PHE 3 17.353 -8.404 -3.991 20 HA PHE 3 HA PHE 3 18.422 -8.957 -6.689 21 1HB PHE 3 1HB PHE 3 15.651 -9.069 -5.977 22 2HB PHE 3 2HB PHE 3 15.860 -7.526 -6.759 23 HD1 PHE 3 1HD PHE 3 17.129 -11.031 -7.274 24 HD2 PHE 3 2HD PHE 3 15.174 -7.605 -9.006 25 HE1 PHE 3 1HE PHE 3 16.865 -12.272 -9.402 26 HE2 PHE 3 2HE PHE 3 14.953 -8.839 -11.160 27 HZ PHE 3 HZ PHE 3 15.800 -11.161 -11.353 28 H SER 4 H SER 4 17.753 -6.618 -7.915 29 HA SER 4 HA SER 4 18.172 -4.374 -6.117 30 1HB SER 4 1HB SER 4 20.399 -5.264 -7.279 31 2HB SER 4 2HB SER 4 19.746 -4.433 -8.702 32 HG SER 4 HG SER 4 20.074 -2.552 -7.736 33 H GLY 5 H GLY 5 17.997 -2.350 -7.948 34 1HA GLY 5 1HA GLY 5 16.628 -1.255 -9.419 35 2HA GLY 5 2HA GLY 5 15.972 -2.812 -9.959 36 H ASP 6 H ASP 6 14.555 -3.957 -8.295 37 HA ASP 6 HA ASP 6 12.480 -2.033 -7.457 38 1HB ASP 6 1HB ASP 6 12.579 -5.086 -7.499 39 2HB ASP 6 2HB ASP 6 11.305 -4.222 -6.659 40 H ILE 7 H ILE 7 11.489 -2.543 -5.390 41 HA ILE 7 HA ILE 7 13.021 -2.102 -3.016 42 HB ILE 7 HB ILE 7 10.596 -2.388 -2.090 43 1HG1 ILE 7 1HG1 ILE 7 8.787 -2.066 -3.713 44 2HG1 ILE 7 2HG1 ILE 7 9.873 -2.129 -5.067 45 1HG2 ILE 7 1HG2 ILE 7 11.716 -0.277 -2.416 46 2HG2 ILE 7 2HG2 ILE 7 11.340 -0.292 -4.167 47 3HG2 ILE 7 3HG2 ILE 7 10.054 -0.128 -2.982 48 1HD1 ILE 7 1HD1 ILE 7 9.359 -4.438 -3.153 49 2HD1 ILE 7 2HD1 ILE 7 8.613 -4.202 -4.759 50 3HD1 ILE 7 3HD1 ILE 7 10.342 -4.519 -4.622 51 H ALA 8 H ALA 8 14.022 -4.256 -4.061 52 HA ALA 8 HA ALA 8 13.170 -6.826 -2.927 53 1HB ALA 8 1HB ALA 8 14.263 -6.680 -5.163 54 2HB ALA 8 2HB ALA 8 15.728 -6.032 -4.390 55 3HB ALA 8 3HB ALA 8 15.170 -7.681 -4.015 56 H ASN 9 H ASN 9 14.373 -4.077 -1.592 57 HA ASN 9 HA ASN 9 16.194 -5.269 0.348 58 1HB ASN 9 1HB ASN 9 14.768 -2.564 0.082 59 2HB ASN 9 2HB ASN 9 15.813 -3.009 1.415 60 1HD2 ASN 9 1HD2 ASN 9 15.835 -1.588 -1.767 61 2HD2 ASN 9 2HD2 ASN 9 17.551 -1.758 -2.022 62 H LEU 10 H LEU 10 12.787 -4.839 -0.284 63 HA LEU 10 HA LEU 10 11.896 -5.330 2.494 64 1HB LEU 10 1HB LEU 10 10.385 -4.796 -0.066 65 2HB LEU 10 2HB LEU 10 9.756 -5.018 1.533 66 HG LEU 10 HG LEU 10 9.789 -2.772 0.710 67 1HD1 LEU 10 1HD1 LEU 10 11.194 -3.208 3.375 68 2HD1 LEU 10 2HD1 LEU 10 10.277 -1.760 2.911 69 3HD1 LEU 10 3HD1 LEU 10 9.441 -3.309 3.088 70 1HD2 LEU 10 1HD2 LEU 10 12.702 -2.541 1.454 71 2HD2 LEU 10 2HD2 LEU 10 12.081 -2.592 -0.219 72 3HD2 LEU 10 3HD2 LEU 10 11.613 -1.277 0.859 73 H THR 11 H THR 11 12.646 -7.517 2.742 74 HA THR 11 HA THR 11 11.983 -9.662 0.947 75 HB THR 11 HB THR 11 12.546 -10.249 3.787 76 HG1 THR 11 1HG THR 11 14.456 -8.862 2.214 77 1HG2 THR 11 1HG2 THR 11 14.324 -11.675 2.793 78 2HG2 THR 11 2HG2 THR 11 12.723 -12.018 2.137 79 3HG2 THR 11 3HG2 THR 11 13.889 -11.077 1.182 80 H ALA 12 H ALA 12 10.903 -11.559 2.184 81 HA ALA 12 HA ALA 12 8.118 -10.815 2.748 82 1HB ALA 12 1HB ALA 12 8.560 -12.910 1.534 83 2HB ALA 12 2HB ALA 12 9.633 -13.482 2.824 84 3HB ALA 12 3HB ALA 12 7.900 -13.328 3.133 85 H ALA 13 H ALA 13 10.525 -12.439 4.812 86 HA ALA 13 HA ALA 13 8.933 -11.962 7.154 87 1HB ALA 13 1HB ALA 13 10.977 -12.497 8.431 88 2HB ALA 13 2HB ALA 13 10.703 -13.660 7.138 89 3HB ALA 13 3HB ALA 13 11.948 -12.400 6.945 90 H GLU 14 H GLU 14 11.021 -9.810 5.306 91 HA GLU 14 HA GLU 14 11.541 -7.968 7.507 92 1HB GLU 14 1HB GLU 14 13.067 -8.291 5.478 93 2HB GLU 14 2HB GLU 14 11.738 -7.749 4.479 94 1HG GLU 14 1HG GLU 14 13.195 -5.933 4.621 95 2HG GLU 14 2HG GLU 14 11.811 -5.507 5.608 96 H ILE 15 H ILE 15 9.224 -8.321 4.717 97 HA ILE 15 HA ILE 15 7.903 -5.871 5.403 98 HB ILE 15 HB ILE 15 7.383 -8.244 3.586 99 1HG1 ILE 15 1HG1 ILE 15 7.667 -5.219 3.226 100 2HG1 ILE 15 2HG1 ILE 15 8.943 -6.392 3.006 101 1HG2 ILE 15 1HG2 ILE 15 5.403 -6.037 4.235 102 2HG2 ILE 15 2HG2 ILE 15 5.295 -7.129 2.826 103 3HG2 ILE 15 3HG2 ILE 15 5.177 -7.794 4.438 104 1HD1 ILE 15 1HD1 ILE 15 8.060 -5.860 0.762 105 2HD1 ILE 15 2HD1 ILE 15 7.542 -7.494 1.180 106 3HD1 ILE 15 3HD1 ILE 15 6.421 -6.113 1.290 107 H GLU 16 H GLU 16 7.096 -9.363 6.026 108 HA GLU 16 HA GLU 16 4.772 -8.624 7.446 109 1HB GLU 16 1HB GLU 16 6.540 -11.001 8.007 110 2HB GLU 16 2HB GLU 16 4.945 -10.671 8.717 111 1HG GLU 16 1HG GLU 16 4.342 -10.395 6.053 112 2HG GLU 16 2HG GLU 16 5.637 -11.587 5.939 113 H GLN 17 H GLN 17 8.143 -8.929 8.857 114 HA GLN 17 HA GLN 17 7.145 -8.372 11.536 115 1HB GLN 17 1HB GLN 17 9.185 -9.703 10.981 116 2HB GLN 17 2HB GLN 17 9.919 -8.221 10.338 117 1HG GLN 17 1HG GLN 17 10.859 -8.382 12.450 118 2HG GLN 17 2HG GLN 17 9.562 -7.227 12.704 119 1HE2 GLN 17 1HE2 GLN 17 8.277 -7.676 14.484 120 2HE2 GLN 17 2HE2 GLN 17 8.047 -9.255 15.218 121 H GLY 18 H GLY 18 8.432 -6.602 8.717 122 1HA GLY 18 1HA GLY 18 9.298 -4.254 9.906 123 2HA GLY 18 2HA GLY 18 8.784 -4.462 8.223 124 H PHE 19 H PHE 19 6.196 -5.393 8.637 125 HA PHE 19 HA PHE 19 4.901 -2.806 9.402 126 1HB PHE 19 1HB PHE 19 4.385 -4.766 7.161 127 2HB PHE 19 2HB PHE 19 3.413 -3.352 7.509 128 HD1 PHE 19 1HD PHE 19 4.079 -1.196 6.820 129 HD2 PHE 19 2HD PHE 19 6.965 -4.343 6.572 130 HE1 PHE 19 1HE PHE 19 5.676 0.326 5.632 131 HE2 PHE 19 2HE PHE 19 8.561 -2.856 5.489 132 HZ PHE 19 HZ PHE 19 7.940 -0.498 5.008 133 H LYS 20 H LYS 20 5.316 -5.579 10.867 134 HA LYS 20 HA LYS 20 2.821 -6.617 11.510 135 1HB LYS 20 1HB LYS 20 3.971 -7.844 13.152 136 2HB LYS 20 2HB LYS 20 5.271 -7.388 12.096 137 1HG LYS 20 1HG LYS 20 6.292 -6.796 13.994 138 2HG LYS 20 2HG LYS 20 5.416 -5.290 13.769 139 1HD LYS 20 1HD LYS 20 3.555 -6.605 15.228 140 2HD LYS 20 2HD LYS 20 4.961 -7.516 15.752 141 1HE LYS 20 1HE LYS 20 4.625 -4.475 15.865 142 2HE LYS 20 2HE LYS 20 4.434 -5.579 17.231 143 1HZ LYS 20 1HZ LYS 20 6.988 -5.289 15.754 144 2HZ LYS 20 2HZ LYS 20 6.620 -4.480 17.134 145 3HZ LYS 20 3HZ LYS 20 6.728 -6.108 17.144 146 H ASP 21 H ASP 21 3.860 -3.613 12.202 147 HA ASP 21 HA ASP 21 2.560 -3.054 14.747 148 1HB ASP 21 1HB ASP 21 4.622 -1.935 13.981 149 2HB ASP 21 2HB ASP 21 3.766 -1.268 12.588 150 H VAL 22 H VAL 22 1.417 -3.256 11.468 151 HA VAL 22 HA VAL 22 -1.222 -2.383 12.422 152 HB VAL 22 HB VAL 22 0.242 -0.771 10.856 153 1HG1 VAL 22 1HG1 VAL 22 -1.190 -2.398 8.759 154 2HG1 VAL 22 2HG1 VAL 22 -0.396 -0.837 8.553 155 3HG1 VAL 22 3HG1 VAL 22 0.555 -2.270 9.022 156 1HG2 VAL 22 1HG2 VAL 22 -1.706 0.000 11.828 157 2HG2 VAL 22 2HG2 VAL 22 -1.661 0.426 10.114 158 3HG2 VAL 22 3HG2 VAL 22 -2.742 -0.826 10.675 159 HA PRO 23 HA PRO 23 -2.234 -6.340 10.751 160 1HB PRO 23 1HB PRO 23 -4.669 -6.202 9.567 161 2HB PRO 23 2HB PRO 23 -4.436 -5.768 11.283 162 1HG PRO 23 1HG PRO 23 -4.657 -3.923 8.910 163 2HG PRO 23 2HG PRO 23 -5.429 -3.767 10.515 164 1HD PRO 23 1HD PRO 23 -3.053 -2.586 9.672 165 2HD PRO 23 2HD PRO 23 -3.442 -2.767 11.399 166 H SER 24 H SER 24 -3.202 -7.500 8.551 167 HA SER 24 HA SER 24 -1.971 -6.275 6.178 168 1HB SER 24 1HB SER 24 -1.102 -8.695 5.671 169 2HB SER 24 2HB SER 24 -0.217 -7.692 6.821 170 HG SER 24 HG SER 24 -2.108 -9.133 8.119 171 H PHE 25 H PHE 25 -2.809 -7.706 4.103 172 HA PHE 25 HA PHE 25 -5.386 -9.058 4.710 173 1HB PHE 25 1HB PHE 25 -5.941 -6.872 4.042 174 2HB PHE 25 2HB PHE 25 -4.641 -6.796 2.869 175 HD1 PHE 25 1HD PHE 25 -4.892 -7.324 0.628 176 HD2 PHE 25 2HD PHE 25 -8.002 -8.387 3.418 177 HE1 PHE 25 1HE PHE 25 -6.365 -7.904 -1.262 178 HE2 PHE 25 2HE PHE 25 -9.483 -8.968 1.495 179 HZ PHE 25 HZ PHE 25 -8.687 -8.716 -0.818 180 H VAL 26 H VAL 26 -6.029 -10.438 2.812 181 HA VAL 26 HA VAL 26 -3.874 -11.238 1.072 182 HB VAL 26 HB VAL 26 -5.280 -13.231 2.879 183 1HG1 VAL 26 1HG1 VAL 26 -5.009 -14.210 0.639 184 2HG1 VAL 26 2HG1 VAL 26 -3.321 -13.650 0.576 185 3HG1 VAL 26 3HG1 VAL 26 -3.809 -14.911 1.718 186 1HG2 VAL 26 1HG2 VAL 26 -2.379 -12.349 2.599 187 2HG2 VAL 26 2HG2 VAL 26 -3.423 -12.131 4.017 188 3HG2 VAL 26 3HG2 VAL 26 -2.909 -13.760 3.543 189 H HIS 27 H HIS 27 -4.730 -11.599 -0.987 190 HA HIS 27 HA HIS 27 -7.539 -12.568 -1.022 191 1HB HIS 27 1HB HIS 27 -7.745 -11.520 -3.267 192 2HB HIS 27 2HB HIS 27 -7.703 -10.469 -1.861 193 HD1 HIS 27 1HD HIS 27 -7.274 -8.695 -3.941 194 HD2 HIS 27 2HD HIS 27 -4.172 -11.272 -2.809 195 HE1 HIS 27 1HE HIS 27 -5.102 -7.561 -4.603 196 H GLU 28 H GLU 28 -8.029 -13.545 -3.048 197 HA GLU 28 HA GLU 28 -6.602 -16.087 -3.269 198 1HB GLU 28 1HB GLU 28 -9.114 -14.985 -4.584 199 2HB GLU 28 2HB GLU 28 -8.569 -16.655 -4.778 200 1HG GLU 28 1HG GLU 28 -8.979 -17.229 -2.535 201 2HG GLU 28 2HG GLU 28 -9.068 -15.545 -2.009 202 H GLY 29 H GLY 29 -5.102 -13.823 -4.312 203 1HA GLY 29 1HA GLY 29 -3.712 -13.375 -6.115 204 2HA GLY 29 2HA GLY 29 -4.203 -14.953 -6.757 205 H GLY 30 H GLY 30 -3.866 -13.568 -8.784 206 1HA GLY 30 1HA GLY 30 -4.813 -12.636 -10.636 207 2HA GLY 30 2HA GLY 30 -6.333 -12.318 -9.755 208 H ASP 31 H ASP 31 -4.488 -10.525 -11.307 209 HA ASP 31 HA ASP 31 -3.555 -8.589 -9.376 210 1HB ASP 31 1HB ASP 31 -3.302 -7.032 -11.190 211 2HB ASP 31 2HB ASP 31 -2.564 -8.580 -11.592 212 H VAL 32 H VAL 32 -4.466 -6.480 -8.978 213 HA VAL 32 HA VAL 32 -7.358 -6.288 -9.019 214 HB VAL 32 HB VAL 32 -5.744 -7.035 -6.624 215 1HG1 VAL 32 1HG1 VAL 32 -7.226 -5.222 -5.867 216 2HG1 VAL 32 2HG1 VAL 32 -8.630 -6.148 -6.447 217 3HG1 VAL 32 3HG1 VAL 32 -7.649 -6.753 -5.112 218 1HG2 VAL 32 1HG2 VAL 32 -6.618 -9.034 -7.728 219 2HG2 VAL 32 2HG2 VAL 32 -7.441 -8.822 -6.199 220 3HG2 VAL 32 3HG2 VAL 32 -8.255 -8.363 -7.698 221 HA PRO 33 HA PRO 33 -5.557 -2.333 -8.893 222 1HB PRO 33 1HB PRO 33 -7.704 -0.695 -8.735 223 2HB PRO 33 2HB PRO 33 -7.445 -1.744 -10.158 224 1HG PRO 33 1HG PRO 33 -9.186 -2.316 -7.757 225 2HG PRO 33 2HG PRO 33 -9.651 -2.431 -9.477 226 1HD PRO 33 1HD PRO 33 -8.794 -4.637 -8.072 227 2HD PRO 33 2HD PRO 33 -8.335 -4.421 -9.783 228 H LEU 34 H LEU 34 -4.773 -0.762 -7.538 229 HA LEU 34 HA LEU 34 -4.774 -1.255 -4.846 230 1HB LEU 34 1HB LEU 34 -3.546 0.499 -4.396 231 2HB LEU 34 2HB LEU 34 -3.090 -0.081 -5.977 232 HG LEU 34 HG LEU 34 -4.538 2.442 -5.283 233 1HD1 LEU 34 1HD1 LEU 34 -2.540 3.560 -6.224 234 2HD1 LEU 34 2HD1 LEU 34 -2.108 2.469 -4.892 235 3HD1 LEU 34 3HD1 LEU 34 -1.848 1.979 -6.581 236 1HD2 LEU 34 1HD2 LEU 34 -5.509 1.704 -7.411 237 2HD2 LEU 34 2HD2 LEU 34 -4.395 3.044 -7.723 238 3HD2 LEU 34 3HD2 LEU 34 -3.871 1.385 -8.032 239 H VAL 35 H VAL 35 -7.307 0.405 -6.559 240 HA VAL 35 HA VAL 35 -8.657 1.337 -4.149 241 HB VAL 35 HB VAL 35 -8.614 2.586 -6.289 242 1HG1 VAL 35 1HG1 VAL 35 -8.923 0.872 -7.947 243 2HG1 VAL 35 2HG1 VAL 35 -10.508 0.417 -7.276 244 3HG1 VAL 35 3HG1 VAL 35 -10.266 1.994 -8.051 245 1HG2 VAL 35 1HG2 VAL 35 -10.270 3.127 -4.565 246 2HG2 VAL 35 2HG2 VAL 35 -10.889 3.390 -6.206 247 3HG2 VAL 35 3HG2 VAL 35 -11.402 1.969 -5.289 248 H GLU 36 H GLU 36 -8.607 -1.751 -5.585 249 HA GLU 36 HA GLU 36 -11.100 -2.411 -4.082 250 1HB GLU 36 1HB GLU 36 -9.333 -3.920 -6.027 251 2HB GLU 36 2HB GLU 36 -10.441 -4.760 -4.946 252 1HG GLU 36 1HG GLU 36 -11.295 -2.607 -6.937 253 2HG GLU 36 2HG GLU 36 -11.401 -4.348 -7.215 254 H LEU 37 H LEU 37 -7.466 -2.851 -4.027 255 HA LEU 37 HA LEU 37 -7.817 -4.968 -2.039 256 1HB LEU 37 1HB LEU 37 -5.419 -5.180 -2.055 257 2HB LEU 37 2HB LEU 37 -6.068 -5.211 -3.687 258 HG LEU 37 HG LEU 37 -5.530 -2.599 -3.566 259 1HD1 LEU 37 1HD1 LEU 37 -3.532 -1.992 -2.438 260 2HD1 LEU 37 2HD1 LEU 37 -4.544 -2.742 -1.193 261 3HD1 LEU 37 3HD1 LEU 37 -3.215 -3.655 -1.939 262 1HD2 LEU 37 1HD2 LEU 37 -3.351 -3.102 -4.656 263 2HD2 LEU 37 2HD2 LEU 37 -3.474 -4.783 -4.099 264 3HD2 LEU 37 3HD2 LEU 37 -4.656 -4.128 -5.245 265 H LEU 38 H LEU 38 -7.374 -1.398 -2.077 266 HA LEU 38 HA LEU 38 -6.399 -1.548 0.543 267 1HB LEU 38 1HB LEU 38 -6.014 0.645 0.513 268 2HB LEU 38 2HB LEU 38 -6.159 0.460 -1.206 269 HG LEU 38 HG LEU 38 -8.439 1.336 0.638 270 1HD1 LEU 38 1HD1 LEU 38 -6.424 2.917 -0.898 271 2HD1 LEU 38 2HD1 LEU 38 -7.974 3.605 -0.413 272 3HD1 LEU 38 3HD1 LEU 38 -6.892 3.024 0.844 273 1HD2 LEU 38 1HD2 LEU 38 -9.801 1.323 -1.108 274 2HD2 LEU 38 2HD2 LEU 38 -8.674 2.247 -2.103 275 3HD2 LEU 38 3HD2 LEU 38 -8.576 0.483 -2.042 276 H VAL 39 H VAL 39 -9.512 -1.446 -1.018 277 HA VAL 39 HA VAL 39 -11.057 -0.541 1.284 278 HB VAL 39 HB VAL 39 -11.311 -0.783 -1.530 279 1HG1 VAL 39 1HG1 VAL 39 -13.599 -1.637 -1.850 280 2HG1 VAL 39 2HG1 VAL 39 -12.472 -2.911 -1.428 281 3HG1 VAL 39 3HG1 VAL 39 -13.592 -2.273 -0.197 282 1HG2 VAL 39 1HG2 VAL 39 -13.308 0.277 0.493 283 2HG2 VAL 39 2HG2 VAL 39 -12.000 1.170 -0.317 284 3HG2 VAL 39 3HG2 VAL 39 -13.355 0.579 -1.261 285 H SER 40 H SER 40 -10.453 -3.503 -0.481 286 HA SER 40 HA SER 40 -11.799 -5.333 1.213 287 1HB SER 40 1HB SER 40 -10.582 -5.441 -1.252 288 2HB SER 40 2HB SER 40 -9.390 -6.288 -0.276 289 HG SER 40 HG SER 40 -11.689 -7.069 -1.306 290 H ALA 41 H ALA 41 -8.362 -4.056 1.181 291 HA ALA 41 HA ALA 41 -7.761 -5.747 3.470 292 1HB ALA 41 1HB ALA 41 -5.977 -5.061 1.933 293 2HB ALA 41 2HB ALA 41 -6.220 -3.368 2.356 294 3HB ALA 41 3HB ALA 41 -5.628 -4.520 3.578 295 H GLY 42 H GLY 42 -9.023 -2.449 3.130 296 1HA GLY 42 1HA GLY 42 -10.664 -1.780 4.747 297 2HA GLY 42 2HA GLY 42 -9.790 -2.662 5.998 298 H ILE 43 H ILE 43 -8.057 -0.812 3.658 299 HA ILE 43 HA ILE 43 -6.725 0.812 5.652 300 HB ILE 43 HB ILE 43 -6.703 0.674 2.624 301 1HG1 ILE 43 1HG1 ILE 43 -5.037 -0.798 2.421 302 2HG1 ILE 43 2HG1 ILE 43 -4.067 -0.085 3.636 303 1HG2 ILE 43 1HG2 ILE 43 -4.401 1.973 2.951 304 2HG2 ILE 43 2HG2 ILE 43 -5.878 2.913 3.314 305 3HG2 ILE 43 3HG2 ILE 43 -4.905 2.229 4.606 306 1HD1 ILE 43 1HD1 ILE 43 -6.309 -2.059 4.125 307 2HD1 ILE 43 2HD1 ILE 43 -4.583 -2.351 4.297 308 3HD1 ILE 43 3HD1 ILE 43 -5.429 -1.257 5.421 309 H SER 44 H SER 44 -9.209 1.278 2.988 310 HA SER 44 HA SER 44 -10.314 3.514 4.523 311 1HB SER 44 1HB SER 44 -9.181 3.813 1.747 312 2HB SER 44 2HB SER 44 -10.673 4.654 2.205 313 HG SER 44 HG SER 44 -8.066 5.105 3.078 314 HA PRO 45 HA PRO 45 -13.366 0.569 2.950 315 1HB PRO 45 1HB PRO 45 -15.281 0.836 4.829 316 2HB PRO 45 2HB PRO 45 -13.682 0.113 5.209 317 1HG PRO 45 1HG PRO 45 -14.594 2.968 5.702 318 2HG PRO 45 2HG PRO 45 -13.801 1.849 6.856 319 1HD PRO 45 1HD PRO 45 -12.424 3.719 5.373 320 2HD PRO 45 2HD PRO 45 -11.707 2.153 5.868 321 H SER 46 H SER 46 -13.626 3.974 3.113 322 HA SER 46 HA SER 46 -16.357 4.100 1.961 323 1HB SER 46 1HB SER 46 -16.190 5.874 3.456 324 2HB SER 46 2HB SER 46 -14.456 6.014 3.222 325 HG SER 46 HG SER 46 -16.447 6.902 1.377 326 H LYS 47 H LYS 47 -16.521 4.269 -0.312 327 HA LYS 47 HA LYS 47 -14.127 3.885 -1.867 328 1HB LYS 47 1HB LYS 47 -16.988 4.487 -2.646 329 2HB LYS 47 2HB LYS 47 -15.682 4.542 -3.819 330 1HG LYS 47 1HG LYS 47 -16.584 2.363 -3.969 331 2HG LYS 47 2HG LYS 47 -15.000 2.208 -3.195 332 1HD LYS 47 1HD LYS 47 -16.079 1.956 -0.986 333 2HD LYS 47 2HD LYS 47 -17.657 2.277 -1.741 334 1HE LYS 47 1HE LYS 47 -17.055 0.223 -3.243 335 2HE LYS 47 2HE LYS 47 -15.875 -0.161 -1.978 336 1HZ LYS 47 1HZ LYS 47 -18.034 -1.217 -1.585 337 2HZ LYS 47 2HZ LYS 47 -17.744 -0.118 -0.389 338 3HZ LYS 47 3HZ LYS 47 -18.778 0.241 -1.604 339 H ARG 48 H ARG 48 -15.951 6.851 -0.980 340 HA ARG 48 HA ARG 48 -14.484 8.525 -2.798 341 1HB ARG 48 1HB ARG 48 -16.635 8.996 -1.273 342 2HB ARG 48 2HB ARG 48 -15.454 9.588 -0.121 343 1HG ARG 48 1HG ARG 48 -16.028 10.572 -2.941 344 2HG ARG 48 2HG ARG 48 -16.351 11.417 -1.436 345 1HD ARG 48 1HD ARG 48 -13.617 10.888 -2.670 346 2HD ARG 48 2HD ARG 48 -14.490 12.419 -2.637 347 HE ARG 48 HE ARG 48 -14.108 11.462 0.036 348 1HH1 ARG 48 2HH2 ARG 48 -12.306 13.020 -2.663 349 2HH1 ARG 48 1HH2 ARG 48 -11.101 13.662 -1.593 350 1HH2 ARG 48 2HH1 ARG 48 -12.347 12.326 1.388 351 2HH2 ARG 48 1HH1 ARG 48 -10.996 13.039 0.579 352 H GLN 49 H GLN 49 -13.981 7.792 0.727 353 HA GLN 49 HA GLN 49 -11.565 9.274 0.882 354 1HB GLN 49 1HB GLN 49 -13.111 7.847 2.701 355 2HB GLN 49 2HB GLN 49 -11.680 6.844 2.603 356 1HG GLN 49 1HG GLN 49 -11.593 9.871 3.115 357 2HG GLN 49 2HG GLN 49 -11.789 8.694 4.399 358 1HE2 GLN 49 1HE2 GLN 49 -9.431 8.642 1.537 359 2HE2 GLN 49 2HE2 GLN 49 -8.102 8.315 2.580 360 H ALA 50 H ALA 50 -12.146 5.759 0.233 361 HA ALA 50 HA ALA 50 -9.580 4.946 -0.076 362 1HB ALA 50 1HB ALA 50 -11.380 3.360 -0.207 363 2HB ALA 50 2HB ALA 50 -12.063 4.169 -1.637 364 3HB ALA 50 3HB ALA 50 -10.566 3.305 -1.793 365 H ARG 51 H ARG 51 -11.630 6.328 -2.692 366 HA ARG 51 HA ARG 51 -9.618 6.169 -4.684 367 1HB ARG 51 1HB ARG 51 -12.101 7.895 -4.442 368 2HB ARG 51 2HB ARG 51 -11.051 7.916 -5.871 369 1HG ARG 51 1HG ARG 51 -11.440 5.597 -6.346 370 2HG ARG 51 2HG ARG 51 -12.203 5.312 -4.784 371 1HD ARG 51 1HD ARG 51 -13.988 7.032 -5.560 372 2HD ARG 51 2HD ARG 51 -13.312 6.770 -7.183 373 HE ARG 51 HE ARG 51 -13.807 4.229 -6.003 374 1HH1 ARG 51 2HH2 ARG 51 -15.650 6.933 -7.383 375 2HH1 ARG 51 1HH2 ARG 51 -17.141 6.049 -7.417 376 1HH2 ARG 51 2HH1 ARG 51 -15.653 3.022 -6.319 377 2HH2 ARG 51 1HH1 ARG 51 -17.131 3.708 -6.891 378 H GLU 52 H GLU 52 -10.266 8.727 -2.288 379 HA GLU 52 HA GLU 52 -8.106 10.308 -3.560 380 1HB GLU 52 1HB GLU 52 -9.967 11.465 -2.423 381 2HB GLU 52 2HB GLU 52 -9.559 10.652 -0.906 382 1HG GLU 52 1HG GLU 52 -7.294 11.888 -0.949 383 2HG GLU 52 2HG GLU 52 -7.848 12.727 -2.376 384 H ASP 53 H ASP 53 -8.368 8.055 -0.918 385 HA ASP 53 HA ASP 53 -5.744 8.314 0.149 386 1HB ASP 53 1HB ASP 53 -7.890 6.292 0.205 387 2HB ASP 53 2HB ASP 53 -6.396 5.571 -0.063 388 H ILE 54 H ILE 54 -6.959 6.932 -2.821 389 HA ILE 54 HA ILE 54 -4.320 5.851 -3.320 390 HB ILE 54 HB ILE 54 -7.053 5.731 -4.652 391 1HG1 ILE 54 1HG1 ILE 54 -5.022 3.695 -3.596 392 2HG1 ILE 54 2HG1 ILE 54 -6.333 4.400 -2.636 393 1HG2 ILE 54 1HG2 ILE 54 -6.091 4.324 -6.480 394 2HG2 ILE 54 2HG2 ILE 54 -5.570 5.986 -6.582 395 3HG2 ILE 54 3HG2 ILE 54 -4.454 4.782 -5.932 396 1HD1 ILE 54 1HD1 ILE 54 -6.911 2.284 -3.394 397 2HD1 ILE 54 2HD1 ILE 54 -8.001 3.534 -4.055 398 3HD1 ILE 54 3HD1 ILE 54 -6.750 2.790 -5.090 399 H GLN 55 H GLN 55 -6.471 8.329 -4.748 400 HA GLN 55 HA GLN 55 -4.600 9.096 -6.715 401 1HB GLN 55 1HB GLN 55 -7.011 10.452 -5.471 402 2HB GLN 55 2HB GLN 55 -6.158 11.107 -6.863 403 1HG GLN 55 1HG GLN 55 -6.710 9.270 -8.263 404 2HG GLN 55 2HG GLN 55 -7.247 8.262 -6.929 405 1HE2 GLN 55 1HE2 GLN 55 -8.668 9.122 -9.418 406 2HE2 GLN 55 2HE2 GLN 55 -10.139 9.912 -8.865 407 H ASN 56 H ASN 56 -4.534 9.663 -3.324 408 HA ASN 56 HA ASN 56 -2.929 12.062 -3.637 409 1HB ASN 56 1HB ASN 56 -3.662 10.257 -1.249 410 2HB ASN 56 2HB ASN 56 -2.401 11.448 -1.083 411 1HD2 ASN 56 1HD2 ASN 56 -5.097 12.705 -3.018 412 2HD2 ASN 56 2HD2 ASN 56 -5.663 13.643 -1.660 413 H GLY 57 H GLY 57 -0.919 12.392 -3.737 414 1HA GLY 57 1HA GLY 57 1.049 10.417 -3.873 415 2HA GLY 57 2HA GLY 57 1.332 12.115 -3.452 416 H ALA 58 H ALA 58 -0.788 10.712 -1.234 417 HA ALA 58 HA ALA 58 1.232 10.506 0.885 418 1HB ALA 58 1HB ALA 58 -0.899 11.746 1.294 419 2HB ALA 58 2HB ALA 58 -1.802 10.238 1.002 420 3HB ALA 58 3HB ALA 58 -0.671 10.359 2.370 421 H ILE 59 H ILE 59 -0.252 8.324 -1.517 422 HA ILE 59 HA ILE 59 0.502 6.023 0.242 423 HB ILE 59 HB ILE 59 -1.573 6.188 -0.216 424 1HG1 ILE 59 1HG1 ILE 59 -0.811 4.062 0.105 425 2HG1 ILE 59 2HG1 ILE 59 -2.153 4.045 -0.957 426 1HG2 ILE 59 1HG2 ILE 59 -0.921 6.379 -3.174 427 2HG2 ILE 59 2HG2 ILE 59 -2.449 5.672 -2.651 428 3HG2 ILE 59 3HG2 ILE 59 -2.052 7.318 -2.206 429 1HD1 ILE 59 1HD1 ILE 59 0.606 3.661 -1.924 430 2HD1 ILE 59 2HD1 ILE 59 -0.760 2.503 -1.900 431 3HD1 ILE 59 3HD1 ILE 59 -0.855 3.898 -2.953 432 H TYR 60 H TYR 60 2.453 6.126 0.336 433 HA TYR 60 HA TYR 60 4.201 5.860 -1.961 434 1HB TYR 60 1HB TYR 60 5.436 5.437 0.635 435 2HB TYR 60 2HB TYR 60 5.836 6.517 -0.636 436 HD1 TYR 60 1HD TYR 60 3.933 8.657 -0.774 437 HD2 TYR 60 2HD TYR 60 5.319 6.518 2.711 438 HE1 TYR 60 1HE TYR 60 3.434 10.601 0.663 439 HE2 TYR 60 2HE TYR 60 4.699 8.408 4.141 440 HH TYR 60 HH TYR 60 4.489 11.273 3.281 441 H VAL 61 H VAL 61 3.819 3.869 -2.878 442 HA VAL 61 HA VAL 61 3.019 1.643 -1.038 443 HB VAL 61 HB VAL 61 1.810 1.828 -3.195 444 1HG1 VAL 61 1HG1 VAL 61 4.487 1.115 -4.487 445 2HG1 VAL 61 2HG1 VAL 61 2.949 1.312 -5.278 446 3HG1 VAL 61 3HG1 VAL 61 3.702 2.709 -4.536 447 1HG2 VAL 61 1HG2 VAL 61 3.505 -0.672 -2.971 448 2HG2 VAL 61 2HG2 VAL 61 1.961 -0.343 -2.163 449 3HG2 VAL 61 3HG2 VAL 61 2.005 -0.489 -3.915 450 H ASN 62 H ASN 62 4.606 0.412 -0.288 451 HA ASN 62 HA ASN 62 6.592 -0.565 0.118 452 1HB ASN 62 1HB ASN 62 6.594 -0.262 -2.801 453 2HB ASN 62 2HB ASN 62 8.193 -0.095 -2.161 454 1HD2 ASN 62 1HD2 ASN 62 5.459 -2.091 -2.573 455 2HD2 ASN 62 2HD2 ASN 62 6.301 -3.570 -2.081 456 H GLY 63 H GLY 63 7.019 2.384 -1.453 457 1HA GLY 63 1HA GLY 63 7.583 4.107 0.669 458 2HA GLY 63 2HA GLY 63 9.166 3.634 0.015 459 H GLU 64 H GLU 64 6.760 3.561 -2.525 460 HA GLU 64 HA GLU 64 8.110 5.899 -3.682 461 1HB GLU 64 1HB GLU 64 8.588 3.442 -4.375 462 2HB GLU 64 2HB GLU 64 6.966 3.446 -4.990 463 1HG GLU 64 1HG GLU 64 8.105 4.052 -6.892 464 2HG GLU 64 2HG GLU 64 7.777 5.668 -6.265 465 H ARG 65 H ARG 65 6.705 7.539 -4.098 466 HA ARG 65 HA ARG 65 3.893 7.361 -3.349 467 1HB ARG 65 1HB ARG 65 5.046 9.399 -2.894 468 2HB ARG 65 2HB ARG 65 5.759 9.470 -4.495 469 1HG ARG 65 1HG ARG 65 2.803 9.597 -4.578 470 2HG ARG 65 2HG ARG 65 3.544 10.891 -3.625 471 1HD ARG 65 1HD ARG 65 5.054 11.429 -5.532 472 2HD ARG 65 2HD ARG 65 4.189 10.228 -6.510 473 HE ARG 65 HE ARG 65 2.722 12.448 -5.188 474 1HH1 ARG 65 2HH2 ARG 65 4.360 11.559 -8.175 475 2HH1 ARG 65 1HH2 ARG 65 3.256 12.421 -9.202 476 1HH2 ARG 65 2HH1 ARG 65 1.074 13.379 -6.563 477 2HH2 ARG 65 1HH1 ARG 65 1.322 13.375 -8.281 478 H LEU 66 H LEU 66 2.550 6.075 -4.674 479 HA LEU 66 HA LEU 66 2.871 6.526 -7.646 480 1HB LEU 66 1HB LEU 66 3.027 4.018 -6.117 481 2HB LEU 66 2HB LEU 66 2.640 4.089 -7.846 482 HG LEU 66 HG LEU 66 5.202 5.279 -6.738 483 1HD1 LEU 66 1HD1 LEU 66 4.489 2.473 -7.575 484 2HD1 LEU 66 2HD1 LEU 66 6.164 3.100 -7.524 485 3HD1 LEU 66 3HD1 LEU 66 5.188 3.026 -6.042 486 1HD2 LEU 66 1HD2 LEU 66 4.487 4.178 -9.493 487 2HD2 LEU 66 2HD2 LEU 66 4.509 5.903 -9.085 488 3HD2 LEU 66 3HD2 LEU 66 6.000 4.956 -9.014 489 H GLN 67 H GLN 67 0.903 7.848 -6.988 490 HA GLN 67 HA GLN 67 -1.518 6.446 -6.131 491 1HB GLN 67 1HB GLN 67 -2.428 8.869 -6.305 492 2HB GLN 67 2HB GLN 67 -1.290 8.442 -5.054 493 1HG GLN 67 1HG GLN 67 -1.191 10.647 -5.873 494 2HG GLN 67 2HG GLN 67 0.313 9.879 -5.865 495 1HE2 GLN 67 1HE2 GLN 67 0.549 8.757 -8.637 496 2HE2 GLN 67 2HE2 GLN 67 0.102 10.107 -9.650 497 H ASP 68 H ASP 68 -0.974 5.168 -8.356 498 HA ASP 68 HA ASP 68 -3.388 5.873 -9.910 499 1HB ASP 68 1HB ASP 68 -1.153 6.782 -10.918 500 2HB ASP 68 2HB ASP 68 -0.860 5.108 -11.371 501 H VAL 69 H VAL 69 -4.319 4.096 -11.026 502 HA VAL 69 HA VAL 69 -3.939 1.302 -10.126 503 HB VAL 69 HB VAL 69 -6.094 2.465 -10.620 504 1HG1 VAL 69 1HG1 VAL 69 -6.902 2.706 -12.918 505 2HG1 VAL 69 2HG1 VAL 69 -5.553 3.789 -12.576 506 3HG1 VAL 69 3HG1 VAL 69 -5.303 2.315 -13.550 507 1HG2 VAL 69 1HG2 VAL 69 -5.891 0.007 -10.627 508 2HG2 VAL 69 2HG2 VAL 69 -7.175 0.598 -11.696 509 3HG2 VAL 69 3HG2 VAL 69 -5.634 0.060 -12.391 510 H GLY 70 H GLY 70 -3.105 3.274 -12.936 511 1HA GLY 70 1HA GLY 70 -1.885 1.029 -14.323 512 2HA GLY 70 2HA GLY 70 -1.643 2.748 -14.697 513 H ALA 71 H ALA 71 -0.979 2.648 -11.557 514 HA ALA 71 HA ALA 71 1.912 2.137 -11.954 515 1HB ALA 71 1HB ALA 71 1.422 4.278 -10.881 516 2HB ALA 71 2HB ALA 71 0.622 3.435 -9.535 517 3HB ALA 71 3HB ALA 71 2.345 3.172 -9.851 518 H ILE 72 H ILE 72 -0.692 1.225 -9.443 519 HA ILE 72 HA ILE 72 0.604 -1.419 -9.445 520 HB ILE 72 HB ILE 72 -0.506 -0.202 -6.963 521 1HG1 ILE 72 1HG1 ILE 72 2.205 -0.045 -6.670 522 2HG1 ILE 72 2HG1 ILE 72 2.121 0.438 -8.294 523 1HG2 ILE 72 1HG2 ILE 72 1.523 -2.407 -7.567 524 2HG2 ILE 72 2HG2 ILE 72 1.102 -1.845 -5.929 525 3HG2 ILE 72 3HG2 ILE 72 -0.111 -2.622 -6.922 526 1HD1 ILE 72 1HD1 ILE 72 0.592 1.686 -5.925 527 2HD1 ILE 72 2HD1 ILE 72 1.913 2.381 -6.837 528 3HD1 ILE 72 3HD1 ILE 72 0.350 2.199 -7.613 529 H LEU 73 H LEU 73 -0.638 -3.171 -9.542 530 HA LEU 73 HA LEU 73 -3.452 -3.035 -8.769 531 1HB LEU 73 1HB LEU 73 -2.127 -4.927 -10.685 532 2HB LEU 73 2HB LEU 73 -3.800 -4.969 -10.151 533 HG LEU 73 HG LEU 73 -2.583 -2.584 -11.621 534 1HD1 LEU 73 1HD1 LEU 73 -4.508 -4.651 -12.720 535 2HD1 LEU 73 2HD1 LEU 73 -3.692 -3.325 -13.582 536 3HD1 LEU 73 3HD1 LEU 73 -2.750 -4.707 -13.014 537 1HD2 LEU 73 1HD2 LEU 73 -4.939 -2.019 -12.122 538 2HD2 LEU 73 2HD2 LEU 73 -5.432 -3.187 -10.887 539 3HD2 LEU 73 3HD2 LEU 73 -4.397 -1.757 -10.474 540 H THR 74 H THR 74 -1.148 -5.837 -8.998 541 HA THR 74 HA THR 74 -1.445 -6.126 -6.093 542 HB THR 74 HB THR 74 -0.980 -8.618 -6.943 543 HG1 THR 74 1HG THR 74 -1.204 -8.894 -9.026 544 1HG2 THR 74 1HG2 THR 74 -2.967 -7.755 -5.834 545 2HG2 THR 74 2HG2 THR 74 -3.530 -7.032 -7.345 546 3HG2 THR 74 3HG2 THR 74 -3.408 -8.804 -7.165 547 H ALA 75 H ALA 75 0.227 -8.182 -5.593 548 HA ALA 75 HA ALA 75 2.603 -6.795 -4.978 549 1HB ALA 75 1HB ALA 75 1.847 -9.751 -4.892 550 2HB ALA 75 2HB ALA 75 3.316 -9.091 -4.179 551 3HB ALA 75 3HB ALA 75 1.719 -8.606 -3.555 552 H GLU 76 H GLU 76 2.113 -9.354 -7.517 553 HA GLU 76 HA GLU 76 4.861 -9.089 -8.327 554 1HB GLU 76 1HB GLU 76 3.627 -11.088 -8.746 555 2HB GLU 76 2HB GLU 76 2.368 -10.262 -9.637 556 1HG GLU 76 1HG GLU 76 5.255 -10.308 -10.606 557 2HG GLU 76 2HG GLU 76 4.210 -11.707 -10.827 558 H HIS 77 H HIS 77 2.163 -7.058 -8.686 559 HA HIS 77 HA HIS 77 3.089 -5.675 -11.112 560 1HB HIS 77 1HB HIS 77 0.676 -6.147 -10.358 561 2HB HIS 77 2HB HIS 77 0.936 -4.811 -9.232 562 HD1 HIS 77 1HD HIS 77 2.002 -2.528 -10.578 563 HD2 HIS 77 2HD HIS 77 -0.572 -5.298 -12.344 564 HE1 HIS 77 1HE HIS 77 0.360 -1.175 -11.957 565 H ARG 78 H ARG 78 4.148 -5.825 -7.854 566 HA ARG 78 HA ARG 78 5.232 -3.089 -8.157 567 1HB ARG 78 1HB ARG 78 3.246 -3.360 -6.517 568 2HB ARG 78 2HB ARG 78 4.354 -4.140 -5.440 569 1HG ARG 78 1HG ARG 78 3.695 -1.554 -5.321 570 2HG ARG 78 2HG ARG 78 5.231 -2.100 -4.755 571 1HD ARG 78 1HD ARG 78 4.759 -0.973 -7.572 572 2HD ARG 78 2HD ARG 78 5.281 -0.009 -6.193 573 HE ARG 78 HE ARG 78 6.958 -2.333 -6.960 574 1HH1 ARG 78 2HH2 ARG 78 6.567 1.070 -7.658 575 2HH1 ARG 78 1HH2 ARG 78 8.271 1.338 -7.827 576 1HH2 ARG 78 2HH1 ARG 78 9.115 -1.994 -7.751 577 2HH2 ARG 78 1HH1 ARG 78 9.624 -0.363 -7.880 578 H LEU 79 H LEU 79 5.717 -6.077 -6.080 579 HA LEU 79 HA LEU 79 8.595 -5.819 -6.324 580 1HB LEU 79 1HB LEU 79 7.643 -8.070 -4.812 581 2HB LEU 79 2HB LEU 79 8.571 -6.673 -4.304 582 HG LEU 79 HG LEU 79 5.547 -6.937 -4.189 583 1HD1 LEU 79 1HD1 LEU 79 6.846 -8.393 -2.627 584 2HD1 LEU 79 2HD1 LEU 79 7.834 -7.032 -2.107 585 3HD1 LEU 79 3HD1 LEU 79 6.124 -7.066 -1.686 586 1HD2 LEU 79 1HD2 LEU 79 6.381 -4.487 -4.255 587 2HD2 LEU 79 2HD2 LEU 79 5.471 -5.018 -2.851 588 3HD2 LEU 79 3HD2 LEU 79 7.250 -4.873 -2.760 589 H GLU 80 H GLU 80 9.460 -8.301 -6.386 590 HA GLU 80 HA GLU 80 9.124 -9.398 -8.924 591 1HB GLU 80 1HB GLU 80 10.276 -11.327 -8.065 592 2HB GLU 80 2HB GLU 80 10.946 -9.892 -7.295 593 1HG GLU 80 1HG GLU 80 9.247 -10.434 -5.354 594 2HG GLU 80 2HG GLU 80 9.110 -12.018 -6.110 595 H GLY 81 H GLY 81 7.098 -9.853 -6.106 596 1HA GLY 81 1HA GLY 81 4.755 -10.490 -6.738 597 2HA GLY 81 2HA GLY 81 5.517 -11.946 -7.391 598 H ARG 82 H ARG 82 5.102 -10.028 -4.402 599 HA ARG 82 HA ARG 82 4.943 -12.545 -2.883 600 1HB ARG 82 1HB ARG 82 6.894 -10.401 -1.909 601 2HB ARG 82 2HB ARG 82 6.505 -11.947 -1.163 602 1HG ARG 82 1HG ARG 82 7.394 -13.100 -3.169 603 2HG ARG 82 2HG ARG 82 7.887 -11.551 -3.850 604 1HD ARG 82 1HD ARG 82 9.636 -11.248 -2.381 605 2HD ARG 82 2HD ARG 82 8.903 -12.220 -1.102 606 HE ARG 82 HE ARG 82 10.515 -13.159 -3.366 607 1HH1 ARG 82 2HH2 ARG 82 8.045 -14.097 -0.995 608 2HH1 ARG 82 1HH2 ARG 82 8.230 -15.796 -1.255 609 1HH2 ARG 82 2HH1 ARG 82 10.801 -15.495 -3.652 610 2HH2 ARG 82 1HH1 ARG 82 9.755 -16.559 -2.745 611 H PHE 83 H PHE 83 5.291 -9.130 -1.887 612 HA PHE 83 HA PHE 83 2.564 -9.203 -0.701 613 1HB PHE 83 1HB PHE 83 5.231 -8.196 0.395 614 2HB PHE 83 2HB PHE 83 3.690 -7.768 1.094 615 HD1 PHE 83 1HD PHE 83 6.132 -10.488 0.680 616 HD2 PHE 83 2HD PHE 83 2.323 -9.335 2.365 617 HE1 PHE 83 1HE PHE 83 6.161 -12.466 2.182 618 HE2 PHE 83 2HE PHE 83 2.474 -11.203 3.971 619 HZ PHE 83 HZ PHE 83 4.412 -12.760 3.893 620 H THR 84 H THR 84 2.260 -6.657 0.054 621 HA THR 84 HA THR 84 3.813 -4.810 -1.551 622 HB THR 84 HB THR 84 1.049 -5.528 -2.263 623 HG1 THR 84 1HG THR 84 2.955 -5.704 -3.473 624 1HG2 THR 84 1HG2 THR 84 0.416 -3.330 -1.405 625 2HG2 THR 84 2HG2 THR 84 1.853 -2.598 -2.150 626 3HG2 THR 84 3HG2 THR 84 0.541 -3.229 -3.171 627 H VAL 85 H VAL 85 4.432 -3.416 -0.133 628 HA VAL 85 HA VAL 85 3.067 -2.927 2.436 629 HB VAL 85 HB VAL 85 5.703 -2.249 1.104 630 1HG1 VAL 85 1HG1 VAL 85 6.389 -0.778 2.950 631 2HG1 VAL 85 2HG1 VAL 85 5.108 -0.062 1.984 632 3HG1 VAL 85 3HG1 VAL 85 4.705 -0.779 3.552 633 1HG2 VAL 85 1HG2 VAL 85 5.501 -4.308 2.449 634 2HG2 VAL 85 2HG2 VAL 85 6.677 -3.172 3.141 635 3HG2 VAL 85 3HG2 VAL 85 5.063 -3.338 3.866 636 H ILE 86 H ILE 86 1.862 -1.086 2.731 637 HA ILE 86 HA ILE 86 1.582 0.907 0.518 638 HB ILE 86 HB ILE 86 -0.303 -0.339 2.552 639 1HG1 ILE 86 1HG1 ILE 86 0.036 -1.617 0.384 640 2HG1 ILE 86 2HG1 ILE 86 -1.631 -1.101 0.649 641 1HG2 ILE 86 1HG2 ILE 86 -0.999 1.944 2.549 642 2HG2 ILE 86 2HG2 ILE 86 -0.796 2.073 0.798 643 3HG2 ILE 86 3HG2 ILE 86 -2.134 1.123 1.482 644 1HD1 ILE 86 1HD1 ILE 86 -1.518 0.610 -0.974 645 2HD1 ILE 86 2HD1 ILE 86 0.247 0.551 -1.067 646 3HD1 ILE 86 3HD1 ILE 86 -0.715 -0.785 -1.719 647 H ARG 87 H ARG 87 2.799 2.772 1.339 648 HA ARG 87 HA ARG 87 2.377 3.223 4.244 649 1HB ARG 87 1HB ARG 87 4.295 4.626 2.377 650 2HB ARG 87 2HB ARG 87 4.118 4.882 4.102 651 1HG ARG 87 1HG ARG 87 4.858 2.400 4.364 652 2HG ARG 87 2HG ARG 87 5.268 2.479 2.635 653 1HD ARG 87 1HD ARG 87 6.464 4.766 3.494 654 2HD ARG 87 2HD ARG 87 6.557 3.838 4.990 655 HE ARG 87 HE ARG 87 7.513 2.185 2.872 656 1HH1 ARG 87 2HH2 ARG 87 8.479 5.253 4.495 657 2HH1 ARG 87 1HH2 ARG 87 10.020 5.244 3.706 658 1HH2 ARG 87 2HH1 ARG 87 9.643 2.128 2.099 659 2HH2 ARG 87 1HH1 ARG 87 10.760 3.386 2.523 660 H ARG 88 H ARG 88 0.116 3.725 3.926 661 HA ARG 88 HA ARG 88 -0.589 5.968 2.250 662 1HB ARG 88 1HB ARG 88 -2.108 4.025 2.495 663 2HB ARG 88 2HB ARG 88 -2.000 4.093 4.246 664 1HG ARG 88 1HG ARG 88 -4.153 4.969 3.539 665 2HG ARG 88 2HG ARG 88 -3.200 6.234 4.275 666 1HD ARG 88 1HD ARG 88 -4.096 7.258 2.347 667 2HD ARG 88 2HD ARG 88 -2.419 6.927 2.031 668 HE ARG 88 HE ARG 88 -3.549 6.529 0.113 669 1HH1 ARG 88 2HH2 ARG 88 -4.895 4.128 2.144 670 2HH1 ARG 88 1HH2 ARG 88 -4.907 2.865 0.974 671 1HH2 ARG 88 2HH1 ARG 88 -4.179 5.276 -1.481 672 2HH2 ARG 88 1HH1 ARG 88 -4.757 3.654 -1.267 673 H GLY 89 H GLY 89 1.004 7.400 3.224 674 1HA GLY 89 1HA GLY 89 1.601 7.833 5.903 675 2HA GLY 89 2HA GLY 89 1.645 9.074 4.644 676 H LYS 90 H LYS 90 -1.181 9.024 4.050 677 HA LYS 90 HA LYS 90 -2.293 10.639 6.161 678 1HB LYS 90 1HB LYS 90 -2.729 10.720 3.580 679 2HB LYS 90 2HB LYS 90 -3.894 9.438 3.900 680 1HG LYS 90 1HG LYS 90 -4.829 11.163 5.724 681 2HG LYS 90 2HG LYS 90 -3.818 12.325 4.903 682 1HD LYS 90 1HD LYS 90 -6.217 12.362 4.212 683 2HD LYS 90 2HD LYS 90 -5.101 12.133 2.870 684 1HE LYS 90 1HE LYS 90 -7.183 10.693 2.786 685 2HE LYS 90 2HE LYS 90 -5.649 9.857 2.613 686 1HZ LYS 90 1HZ LYS 90 -6.654 8.531 4.017 687 2HZ LYS 90 2HZ LYS 90 -5.948 9.466 5.180 688 3HZ LYS 90 3HZ LYS 90 -7.566 9.628 4.777 689 H LYS 91 H LYS 91 -1.690 7.599 6.671 690 HA LYS 91 HA LYS 91 -3.367 7.520 8.844 691 1HB LYS 91 1HB LYS 91 -5.125 6.613 7.374 692 2HB LYS 91 2HB LYS 91 -4.081 5.254 6.926 693 1HG LYS 91 1HG LYS 91 -4.186 4.322 9.111 694 2HG LYS 91 2HG LYS 91 -4.556 5.871 9.866 695 1HD LYS 91 1HD LYS 91 -6.491 4.413 9.962 696 2HD LYS 91 2HD LYS 91 -6.831 5.849 8.991 697 1HE LYS 91 1HE LYS 91 -6.569 4.594 6.924 698 2HE LYS 91 2HE LYS 91 -5.996 3.164 7.805 699 1HZ LYS 91 1HZ LYS 91 -8.107 2.764 8.626 700 2HZ LYS 91 2HZ LYS 91 -8.694 4.271 8.266 701 3HZ LYS 91 3HZ LYS 91 -8.346 3.199 7.070 702 H LYS 92 H LYS 92 -1.852 4.587 7.024 703 HA LYS 92 HA LYS 92 0.389 4.709 8.657 704 1HB LYS 92 1HB LYS 92 -1.685 3.811 10.070 705 2HB LYS 92 2HB LYS 92 -1.516 2.381 9.088 706 1HG LYS 92 1HG LYS 92 -0.474 2.182 11.322 707 2HG LYS 92 2HG LYS 92 0.719 1.945 10.076 708 1HD LYS 92 1HD LYS 92 1.771 3.294 11.713 709 2HD LYS 92 2HD LYS 92 1.415 4.400 10.408 710 1HE LYS 92 1HE LYS 92 0.677 5.614 12.248 711 2HE LYS 92 2HE LYS 92 -0.833 4.847 11.734 712 1HZ LYS 92 1HZ LYS 92 -0.113 3.037 13.438 713 2HZ LYS 92 2HZ LYS 92 0.944 4.172 13.961 714 3HZ LYS 92 3HZ LYS 92 -0.678 4.482 14.020 715 H TYR 93 H TYR 93 1.024 2.156 8.516 716 HA TYR 93 HA TYR 93 1.760 1.912 5.699 717 1HB TYR 93 1HB TYR 93 3.213 0.806 8.049 718 2HB TYR 93 2HB TYR 93 3.697 0.891 6.349 719 HD1 TYR 93 1HD TYR 93 2.686 3.989 6.129 720 HD2 TYR 93 2HD TYR 93 5.267 1.821 8.827 721 HE1 TYR 93 1HE TYR 93 4.148 5.941 6.271 722 HE2 TYR 93 2HE TYR 93 6.728 3.808 9.007 723 HH TYR 93 HH TYR 93 6.472 6.517 6.778 724 H TYR 94 H TYR 94 -0.064 0.546 5.075 725 HA TYR 94 HA TYR 94 -0.680 -1.946 6.573 726 1HB TYR 94 1HB TYR 94 -1.865 -0.437 4.224 727 2HB TYR 94 2HB TYR 94 -2.449 -1.968 4.806 728 HD1 TYR 94 1HD TYR 94 -2.311 1.640 5.517 729 HD2 TYR 94 2HD TYR 94 -3.404 -2.229 7.092 730 HE1 TYR 94 1HE TYR 94 -3.643 2.736 7.304 731 HE2 TYR 94 2HE TYR 94 -4.766 -1.153 8.824 732 HH TYR 94 HH TYR 94 -5.328 0.779 9.811 733 H LEU 95 H LEU 95 -1.222 -3.830 5.191 734 HA LEU 95 HA LEU 95 0.981 -4.372 3.325 735 1HB LEU 95 1HB LEU 95 1.782 -4.910 5.525 736 2HB LEU 95 2HB LEU 95 0.318 -5.811 5.899 737 HG LEU 95 HG LEU 95 0.911 -7.565 4.305 738 1HD1 LEU 95 1HD1 LEU 95 3.228 -5.713 3.610 739 2HD1 LEU 95 2HD1 LEU 95 3.163 -7.449 3.206 740 3HD1 LEU 95 3HD1 LEU 95 2.008 -6.356 2.503 741 1HD2 LEU 95 1HD2 LEU 95 1.930 -7.695 6.582 742 2HD2 LEU 95 2HD2 LEU 95 2.956 -8.428 5.352 743 3HD2 LEU 95 3HD2 LEU 95 3.344 -6.812 5.993 744 H ILE 96 H ILE 96 0.447 -5.762 1.730 745 HA ILE 96 HA ILE 96 -2.105 -7.318 1.833 746 HB ILE 96 HB ILE 96 -0.985 -5.515 -0.364 747 1HG1 ILE 96 1HG1 ILE 96 -3.659 -4.972 -0.177 748 2HG1 ILE 96 2HG1 ILE 96 -3.343 -5.446 1.482 749 1HG2 ILE 96 1HG2 ILE 96 -1.617 -7.513 -1.551 750 2HG2 ILE 96 2HG2 ILE 96 -3.159 -7.625 -0.691 751 3HG2 ILE 96 3HG2 ILE 96 -2.850 -6.295 -1.830 752 1HD1 ILE 96 1HD1 ILE 96 -1.611 -3.684 1.656 753 2HD1 ILE 96 2HD1 ILE 96 -1.847 -3.302 -0.059 754 3HD1 ILE 96 3HD1 ILE 96 -3.156 -3.015 1.111 755 H ARG 97 H ARG 97 -1.936 -9.367 1.176 756 HA ARG 97 HA ARG 97 0.236 -10.104 -0.741 757 1HB ARG 97 1HB ARG 97 0.434 -11.052 1.777 758 2HB ARG 97 2HB ARG 97 -0.666 -12.251 1.169 759 1HG ARG 97 1HG ARG 97 1.136 -12.613 -0.692 760 2HG ARG 97 2HG ARG 97 2.180 -11.630 0.332 761 1HD ARG 97 1HD ARG 97 2.043 -13.247 2.137 762 2HD ARG 97 2HD ARG 97 0.797 -14.166 1.277 763 HE ARG 97 HE ARG 97 2.509 -14.535 -0.516 764 1HH1 ARG 97 2HH2 ARG 97 3.421 -14.643 2.941 765 2HH1 ARG 97 1HH2 ARG 97 4.967 -15.361 2.631 766 1HH2 ARG 97 2HH1 ARG 97 4.321 -15.681 -0.846 767 2HH2 ARG 97 1HH1 ARG 97 5.540 -15.990 0.314 768 H TYR 98 H TYR 98 -0.345 -12.448 -1.470 769 HA TYR 98 HA TYR 98 -3.151 -12.901 -1.821 770 1HB TYR 98 1HB TYR 98 -2.238 -14.090 -3.962 771 2HB TYR 98 2HB TYR 98 -2.811 -12.423 -3.986 772 HD1 TYR 98 1HD TYR 98 -1.787 -11.521 -5.843 773 HD2 TYR 98 2HD TYR 98 0.588 -13.784 -3.021 774 HE1 TYR 98 1HE TYR 98 0.253 -11.010 -7.134 775 HE2 TYR 98 2HE TYR 98 2.625 -13.235 -4.292 776 HH TYR 98 HH TYR 98 2.902 -12.499 -7.160 777 H ALA 99 H ALA 99 -3.521 -15.164 -2.046 778 HA ALA 99 HA ALA 99 -2.004 -16.767 -0.256 779 1HB ALA 99 1HB ALA 99 -4.383 -17.049 -0.413 780 2HB ALA 99 2HB ALA 99 -4.284 -17.370 -2.159 781 3HB ALA 99 3HB ALA 99 -3.644 -18.551 -0.993 Start of MODEL 9 1 1H ALA 1 1H ALA 1 15.721 -11.433 -5.780 2 2H ALA 1 2H ALA 1 14.480 -11.566 -6.858 3 3H ALA 1 3H ALA 1 14.214 -10.903 -5.380 4 HA ALA 1 HA ALA 1 13.316 -13.070 -5.501 5 1HB ALA 1 1HB ALA 1 14.881 -14.039 -7.145 6 2HB ALA 1 2HB ALA 1 16.209 -13.922 -5.979 7 3HB ALA 1 3HB ALA 1 14.839 -15.012 -5.666 8 H LEU 2 H LEU 2 12.703 -12.743 -3.491 9 HA LEU 2 HA LEU 2 12.584 -12.664 -1.305 10 1HB LEU 2 1HB LEU 2 13.403 -15.332 -2.295 11 2HB LEU 2 2HB LEU 2 13.345 -15.185 -0.549 12 HG LEU 2 HG LEU 2 11.037 -14.206 -2.269 13 1HD1 LEU 2 1HD1 LEU 2 11.441 -16.600 -2.761 14 2HD1 LEU 2 2HD1 LEU 2 11.300 -16.960 -1.027 15 3HD1 LEU 2 3HD1 LEU 2 9.912 -16.317 -1.940 16 1HD2 LEU 2 1HD2 LEU 2 9.759 -14.549 -0.162 17 2HD2 LEU 2 2HD2 LEU 2 11.236 -15.083 0.653 18 3HD2 LEU 2 3HD2 LEU 2 11.085 -13.413 0.088 19 H PHE 3 H PHE 3 15.873 -12.383 -1.908 20 HA PHE 3 HA PHE 3 16.233 -11.687 0.962 21 1HB PHE 3 1HB PHE 3 18.404 -12.506 1.031 22 2HB PHE 3 2HB PHE 3 17.525 -13.801 0.236 23 HD1 PHE 3 1HD PHE 3 20.215 -11.350 -0.023 24 HD2 PHE 3 2HD PHE 3 17.747 -14.045 -2.312 25 HE1 PHE 3 1HE PHE 3 21.683 -11.029 -1.989 26 HE2 PHE 3 2HE PHE 3 19.171 -13.659 -4.299 27 HZ PHE 3 HZ PHE 3 21.151 -12.153 -4.141 28 H SER 4 H SER 4 16.656 -10.872 -2.489 29 HA SER 4 HA SER 4 17.096 -8.122 -1.916 30 1HB SER 4 1HB SER 4 19.392 -9.214 -1.502 31 2HB SER 4 2HB SER 4 19.411 -9.605 -3.232 32 HG SER 4 HG SER 4 20.383 -7.536 -2.360 33 H GLY 5 H GLY 5 17.977 -7.255 -4.303 34 1HA GLY 5 1HA GLY 5 17.861 -7.714 -6.665 35 2HA GLY 5 2HA GLY 5 16.275 -8.479 -6.444 36 H ASP 6 H ASP 6 14.478 -7.177 -6.272 37 HA ASP 6 HA ASP 6 14.652 -4.357 -7.113 38 1HB ASP 6 1HB ASP 6 12.424 -6.360 -6.572 39 2HB ASP 6 2HB ASP 6 12.079 -4.641 -6.488 40 H ILE 7 H ILE 7 12.904 -5.946 -4.481 41 HA ILE 7 HA ILE 7 13.126 -3.529 -2.920 42 HB ILE 7 HB ILE 7 11.382 -4.408 -1.572 43 1HG1 ILE 7 1HG1 ILE 7 11.598 -6.794 -1.568 44 2HG1 ILE 7 2HG1 ILE 7 10.031 -6.358 -2.187 45 1HG2 ILE 7 1HG2 ILE 7 9.620 -4.108 -3.194 46 2HG2 ILE 7 2HG2 ILE 7 10.974 -3.042 -3.565 47 3HG2 ILE 7 3HG2 ILE 7 10.719 -4.503 -4.534 48 1HD1 ILE 7 1HD1 ILE 7 10.988 -6.821 -4.538 49 2HD1 ILE 7 2HD1 ILE 7 12.397 -7.490 -3.683 50 3HD1 ILE 7 3HD1 ILE 7 10.806 -8.216 -3.451 51 H ALA 8 H ALA 8 15.426 -4.306 -2.933 52 HA ALA 8 HA ALA 8 16.394 -6.222 -0.971 53 1HB ALA 8 1HB ALA 8 17.671 -5.548 -3.037 54 2HB ALA 8 2HB ALA 8 17.831 -3.907 -2.369 55 3HB ALA 8 3HB ALA 8 18.603 -5.280 -1.549 56 H ASN 9 H ASN 9 14.766 -3.413 -0.395 57 HA ASN 9 HA ASN 9 16.182 -2.808 2.116 58 1HB ASN 9 1HB ASN 9 14.413 -1.188 0.212 59 2HB ASN 9 2HB ASN 9 14.871 -0.685 1.811 60 1HD2 ASN 9 1HD2 ASN 9 15.922 -1.125 -1.472 61 2HD2 ASN 9 2HD2 ASN 9 17.571 -0.566 -1.296 62 H LEU 10 H LEU 10 13.471 -4.298 0.569 63 HA LEU 10 HA LEU 10 12.014 -4.480 3.044 64 1HB LEU 10 1HB LEU 10 9.947 -3.501 2.362 65 2HB LEU 10 2HB LEU 10 11.239 -2.338 2.534 66 HG LEU 10 HG LEU 10 9.945 -3.206 -0.096 67 1HD1 LEU 10 1HD1 LEU 10 9.254 -0.843 -0.081 68 2HD1 LEU 10 2HD1 LEU 10 8.547 -1.802 1.223 69 3HD1 LEU 10 3HD1 LEU 10 9.879 -0.671 1.566 70 1HD2 LEU 10 1HD2 LEU 10 11.234 -1.365 -1.138 71 2HD2 LEU 10 2HD2 LEU 10 12.109 -1.101 0.385 72 3HD2 LEU 10 3HD2 LEU 10 12.335 -2.599 -0.551 73 H THR 11 H THR 11 12.905 -6.602 2.367 74 HA THR 11 HA THR 11 11.650 -8.043 0.236 75 HB THR 11 HB THR 11 13.061 -9.363 2.481 76 HG1 THR 11 1HG THR 11 14.428 -7.437 2.064 77 1HG2 THR 11 1HG2 THR 11 12.457 -10.637 0.429 78 2HG2 THR 11 2HG2 THR 11 13.395 -9.476 -0.535 79 3HG2 THR 11 3HG2 THR 11 14.211 -10.509 0.643 80 H ALA 12 H ALA 12 10.829 -10.314 1.103 81 HA ALA 12 HA ALA 12 8.149 -9.839 2.169 82 1HB ALA 12 1HB ALA 12 8.722 -11.734 0.618 83 2HB ALA 12 2HB ALA 12 9.641 -12.496 1.941 84 3HB ALA 12 3HB ALA 12 7.892 -12.269 2.093 85 H ALA 13 H ALA 13 10.950 -11.335 3.762 86 HA ALA 13 HA ALA 13 9.450 -11.601 6.253 87 1HB ALA 13 1HB ALA 13 12.454 -11.565 5.741 88 2HB ALA 13 2HB ALA 13 11.673 -12.038 7.265 89 3HB ALA 13 3HB ALA 13 11.419 -12.995 5.789 90 H GLU 14 H GLU 14 11.190 -9.030 4.672 91 HA GLU 14 HA GLU 14 11.783 -7.378 6.976 92 1HB GLU 14 1HB GLU 14 12.458 -7.694 4.200 93 2HB GLU 14 2HB GLU 14 11.747 -6.112 4.338 94 1HG GLU 14 1HG GLU 14 13.587 -5.253 5.406 95 2HG GLU 14 2HG GLU 14 13.815 -6.708 6.398 96 H ILE 15 H ILE 15 9.272 -7.697 4.502 97 HA ILE 15 HA ILE 15 7.871 -5.291 5.219 98 HB ILE 15 HB ILE 15 7.399 -7.675 3.388 99 1HG1 ILE 15 1HG1 ILE 15 7.622 -4.673 2.939 100 2HG1 ILE 15 2HG1 ILE 15 8.919 -5.799 2.738 101 1HG2 ILE 15 1HG2 ILE 15 5.256 -6.790 2.633 102 2HG2 ILE 15 2HG2 ILE 15 5.171 -7.171 4.341 103 3HG2 ILE 15 3HG2 ILE 15 5.326 -5.484 3.824 104 1HD1 ILE 15 1HD1 ILE 15 6.379 -5.727 1.048 105 2HD1 ILE 15 2HD1 ILE 15 8.000 -5.251 0.558 106 3HD1 ILE 15 3HD1 ILE 15 7.664 -6.959 0.912 107 H GLU 16 H GLU 16 7.242 -8.830 5.644 108 HA GLU 16 HA GLU 16 5.032 -8.487 7.347 109 1HB GLU 16 1HB GLU 16 7.103 -10.531 6.905 110 2HB GLU 16 2HB GLU 16 6.452 -10.565 8.531 111 1HG GLU 16 1HG GLU 16 4.679 -10.611 6.052 112 2HG GLU 16 2HG GLU 16 5.278 -12.076 6.828 113 H GLN 17 H GLN 17 8.508 -8.478 8.383 114 HA GLN 17 HA GLN 17 7.815 -8.145 11.191 115 1HB GLN 17 1HB GLN 17 9.820 -9.328 10.262 116 2HB GLN 17 2HB GLN 17 10.398 -7.764 9.653 117 1HG GLN 17 1HG GLN 17 11.605 -7.869 11.580 118 2HG GLN 17 2HG GLN 17 10.182 -7.060 12.220 119 1HE2 GLN 17 1HE2 GLN 17 11.606 -10.290 11.682 120 2HE2 GLN 17 2HE2 GLN 17 11.058 -11.020 13.185 121 H GLY 18 H GLY 18 8.643 -6.134 8.342 122 1HA GLY 18 1HA GLY 18 9.455 -3.791 9.592 123 2HA GLY 18 2HA GLY 18 8.750 -3.952 7.967 124 H PHE 19 H PHE 19 6.316 -5.154 8.558 125 HA PHE 19 HA PHE 19 4.965 -2.675 9.560 126 1HB PHE 19 1HB PHE 19 4.337 -4.562 7.276 127 2HB PHE 19 2HB PHE 19 3.392 -3.149 7.681 128 HD1 PHE 19 1HD PHE 19 5.903 -4.273 5.573 129 HD2 PHE 19 2HD PHE 19 5.208 -0.996 8.237 130 HE1 PHE 19 1HE PHE 19 7.913 -3.097 4.673 131 HE2 PHE 19 2HE PHE 19 7.076 0.252 7.190 132 HZ PHE 19 HZ PHE 19 8.428 -0.795 5.425 133 H LYS 20 H LYS 20 5.699 -5.311 10.835 134 HA LYS 20 HA LYS 20 3.464 -6.678 11.575 135 1HB LYS 20 1HB LYS 20 4.912 -7.717 13.229 136 2HB LYS 20 2HB LYS 20 6.037 -7.086 12.051 137 1HG LYS 20 1HG LYS 20 6.261 -4.996 13.500 138 2HG LYS 20 2HG LYS 20 5.281 -5.824 14.717 139 1HD LYS 20 1HD LYS 20 7.038 -7.713 14.654 140 2HD LYS 20 2HD LYS 20 8.026 -6.617 13.688 141 1HE LYS 20 1HE LYS 20 8.811 -6.039 15.770 142 2HE LYS 20 2HE LYS 20 7.482 -4.881 15.635 143 1HZ LYS 20 1HZ LYS 20 6.114 -6.544 16.863 144 2HZ LYS 20 2HZ LYS 20 7.435 -7.492 17.030 145 3HZ LYS 20 3HZ LYS 20 7.398 -6.027 17.757 146 H ASP 21 H ASP 21 3.811 -3.546 12.422 147 HA ASP 21 HA ASP 21 2.176 -3.611 14.830 148 1HB ASP 21 1HB ASP 21 3.064 -1.483 15.174 149 2HB ASP 21 2HB ASP 21 4.435 -2.419 14.635 150 H VAL 22 H VAL 22 1.690 -3.315 11.413 151 HA VAL 22 HA VAL 22 -0.892 -1.969 11.947 152 HB VAL 22 HB VAL 22 -0.012 -1.855 9.169 153 1HG1 VAL 22 1HG1 VAL 22 -1.799 -0.433 10.412 154 2HG1 VAL 22 2HG1 VAL 22 -0.448 0.454 11.073 155 3HG1 VAL 22 3HG1 VAL 22 -0.716 0.398 9.298 156 1HG2 VAL 22 1HG2 VAL 22 1.810 -0.402 11.155 157 2HG2 VAL 22 2HG2 VAL 22 2.302 -1.627 9.966 158 3HG2 VAL 22 3HG2 VAL 22 1.722 -0.062 9.436 159 HA PRO 23 HA PRO 23 -2.452 -5.807 10.521 160 1HB PRO 23 1HB PRO 23 -4.792 -5.407 9.262 161 2HB PRO 23 2HB PRO 23 -4.561 -4.820 10.937 162 1HG PRO 23 1HG PRO 23 -4.279 -3.264 8.362 163 2HG PRO 23 2HG PRO 23 -5.200 -2.818 9.830 164 1HD PRO 23 1HD PRO 23 -2.621 -1.975 9.279 165 2HD PRO 23 2HD PRO 23 -3.244 -2.162 10.964 166 H SER 24 H SER 24 -3.309 -7.058 8.609 167 HA SER 24 HA SER 24 -1.989 -6.333 6.088 168 1HB SER 24 1HB SER 24 -1.200 -8.729 5.922 169 2HB SER 24 2HB SER 24 -0.418 -7.789 7.209 170 HG SER 24 HG SER 24 -0.961 -9.867 7.829 171 H PHE 25 H PHE 25 -3.043 -7.425 4.147 172 HA PHE 25 HA PHE 25 -5.567 -8.848 4.809 173 1HB PHE 25 1HB PHE 25 -6.145 -6.591 4.232 174 2HB PHE 25 2HB PHE 25 -4.970 -6.578 2.907 175 HD1 PHE 25 1HD PHE 25 -5.582 -7.141 0.706 176 HD2 PHE 25 2HD PHE 25 -8.176 -8.139 4.000 177 HE1 PHE 25 1HE PHE 25 -7.354 -7.754 -0.882 178 HE2 PHE 25 2HE PHE 25 -9.928 -8.863 2.397 179 HZ PHE 25 HZ PHE 25 -9.520 -8.706 -0.042 180 H VAL 26 H VAL 26 -6.171 -10.275 3.098 181 HA VAL 26 HA VAL 26 -4.094 -10.989 1.198 182 HB VAL 26 HB VAL 26 -3.977 -12.416 3.265 183 1HG1 VAL 26 1HG1 VAL 26 -6.483 -13.725 2.137 184 2HG1 VAL 26 2HG1 VAL 26 -5.479 -14.308 3.476 185 3HG1 VAL 26 3HG1 VAL 26 -6.389 -12.801 3.651 186 1HG2 VAL 26 1HG2 VAL 26 -3.564 -14.466 2.017 187 2HG2 VAL 26 2HG2 VAL 26 -4.509 -13.834 0.651 188 3HG2 VAL 26 3HG2 VAL 26 -2.975 -13.060 1.129 189 H HIS 27 H HIS 27 -5.052 -10.987 -0.875 190 HA HIS 27 HA HIS 27 -7.873 -11.998 -0.901 191 1HB HIS 27 1HB HIS 27 -8.212 -10.707 -2.962 192 2HB HIS 27 2HB HIS 27 -7.959 -9.760 -1.541 193 HD1 HIS 27 1HD HIS 27 -7.549 -8.139 -3.887 194 HD2 HIS 27 2HD HIS 27 -4.527 -10.760 -2.633 195 HE1 HIS 27 1HE HIS 27 -5.361 -7.254 -4.817 196 H GLU 28 H GLU 28 -8.408 -12.632 -3.105 197 HA GLU 28 HA GLU 28 -7.215 -15.274 -3.308 198 1HB GLU 28 1HB GLU 28 -9.651 -14.022 -4.621 199 2HB GLU 28 2HB GLU 28 -9.241 -15.747 -4.694 200 1HG GLU 28 1HG GLU 28 -9.447 -15.983 -2.291 201 2HG GLU 28 2HG GLU 28 -9.709 -14.249 -2.082 202 H GLY 29 H GLY 29 -5.407 -13.367 -4.400 203 1HA GLY 29 1HA GLY 29 -4.054 -12.976 -6.206 204 2HA GLY 29 2HA GLY 29 -4.591 -14.550 -6.794 205 H GLY 30 H GLY 30 -4.037 -13.183 -8.785 206 1HA GLY 30 1HA GLY 30 -4.874 -12.434 -10.835 207 2HA GLY 30 2HA GLY 30 -6.448 -12.071 -10.089 208 H ASP 31 H ASP 31 -4.271 -10.343 -11.569 209 HA ASP 31 HA ASP 31 -3.487 -8.486 -9.508 210 1HB ASP 31 1HB ASP 31 -2.853 -6.899 -11.270 211 2HB ASP 31 2HB ASP 31 -2.036 -8.444 -11.314 212 H VAL 32 H VAL 32 -4.337 -6.413 -8.988 213 HA VAL 32 HA VAL 32 -7.217 -6.160 -9.468 214 HB VAL 32 HB VAL 32 -5.967 -7.230 -7.002 215 1HG1 VAL 32 1HG1 VAL 32 -7.786 -6.726 -5.549 216 2HG1 VAL 32 2HG1 VAL 32 -7.156 -5.208 -6.163 217 3HG1 VAL 32 3HG1 VAL 32 -8.664 -5.881 -6.817 218 1HG2 VAL 32 1HG2 VAL 32 -7.831 -8.781 -6.997 219 2HG2 VAL 32 2HG2 VAL 32 -8.661 -7.860 -8.279 220 3HG2 VAL 32 3HG2 VAL 32 -7.175 -8.746 -8.620 221 HA PRO 33 HA PRO 33 -5.652 -2.166 -9.147 222 1HB PRO 33 1HB PRO 33 -7.880 -0.621 -9.020 223 2HB PRO 33 2HB PRO 33 -7.511 -1.646 -10.445 224 1HG PRO 33 1HG PRO 33 -9.283 -2.328 -8.118 225 2HG PRO 33 2HG PRO 33 -9.695 -2.425 -9.863 226 1HD PRO 33 1HD PRO 33 -8.816 -4.613 -8.478 227 2HD PRO 33 2HD PRO 33 -8.254 -4.339 -10.147 228 H LEU 34 H LEU 34 -4.826 -0.733 -7.770 229 HA LEU 34 HA LEU 34 -4.677 -1.191 -5.153 230 1HB LEU 34 1HB LEU 34 -3.946 1.115 -4.813 231 2HB LEU 34 2HB LEU 34 -3.082 0.015 -5.849 232 HG LEU 34 HG LEU 34 -3.155 1.205 -7.580 233 1HD1 LEU 34 1HD1 LEU 34 -5.922 2.312 -7.064 234 2HD1 LEU 34 2HD1 LEU 34 -4.871 2.912 -8.340 235 3HD1 LEU 34 3HD1 LEU 34 -5.381 1.236 -8.362 236 1HD2 LEU 34 1HD2 LEU 34 -3.718 3.768 -6.335 237 2HD2 LEU 34 2HD2 LEU 34 -2.513 2.728 -5.528 238 3HD2 LEU 34 3HD2 LEU 34 -2.330 3.171 -7.211 239 H VAL 35 H VAL 35 -7.265 0.583 -6.661 240 HA VAL 35 HA VAL 35 -8.510 1.560 -4.186 241 HB VAL 35 HB VAL 35 -8.413 2.895 -6.246 242 1HG1 VAL 35 1HG1 VAL 35 -9.874 2.395 -8.186 243 2HG1 VAL 35 2HG1 VAL 35 -8.566 1.238 -8.002 244 3HG1 VAL 35 3HG1 VAL 35 -10.220 0.795 -7.503 245 1HG2 VAL 35 1HG2 VAL 35 -11.289 2.236 -5.552 246 2HG2 VAL 35 2HG2 VAL 35 -10.222 3.353 -4.661 247 3HG2 VAL 35 3HG2 VAL 35 -10.674 3.684 -6.350 248 H GLU 36 H GLU 36 -8.742 -1.481 -5.841 249 HA GLU 36 HA GLU 36 -11.261 -1.979 -4.320 250 1HB GLU 36 1HB GLU 36 -9.690 -3.707 -6.264 251 2HB GLU 36 2HB GLU 36 -10.990 -4.313 -5.243 252 1HG GLU 36 1HG GLU 36 -11.265 -2.147 -7.366 253 2HG GLU 36 2HG GLU 36 -11.839 -3.807 -7.487 254 H LEU 37 H LEU 37 -7.643 -2.616 -4.284 255 HA LEU 37 HA LEU 37 -8.166 -4.723 -2.284 256 1HB LEU 37 1HB LEU 37 -5.863 -5.204 -2.317 257 2HB LEU 37 2HB LEU 37 -6.556 -5.254 -3.919 258 HG LEU 37 HG LEU 37 -5.476 -3.031 -4.420 259 1HD1 LEU 37 1HD1 LEU 37 -4.987 -2.023 -2.294 260 2HD1 LEU 37 2HD1 LEU 37 -4.175 -3.494 -1.706 261 3HD1 LEU 37 3HD1 LEU 37 -3.441 -2.486 -2.972 262 1HD2 LEU 37 1HD2 LEU 37 -3.149 -4.136 -4.490 263 2HD2 LEU 37 2HD2 LEU 37 -3.876 -5.509 -3.643 264 3HD2 LEU 37 3HD2 LEU 37 -4.470 -5.022 -5.247 265 H LEU 38 H LEU 38 -7.531 -1.191 -2.272 266 HA LEU 38 HA LEU 38 -6.587 -1.460 0.330 267 1HB LEU 38 1HB LEU 38 -6.268 0.756 0.362 268 2HB LEU 38 2HB LEU 38 -6.456 0.623 -1.358 269 HG LEU 38 HG LEU 38 -8.743 1.311 0.559 270 1HD1 LEU 38 1HD1 LEU 38 -8.530 3.482 0.318 271 2HD1 LEU 38 2HD1 LEU 38 -6.852 2.981 0.500 272 3HD1 LEU 38 3HD1 LEU 38 -7.499 3.426 -1.093 273 1HD2 LEU 38 1HD2 LEU 38 -8.824 0.540 -2.154 274 2HD2 LEU 38 2HD2 LEU 38 -10.096 1.303 -1.211 275 3HD2 LEU 38 3HD2 LEU 38 -9.007 2.294 -2.189 276 H VAL 39 H VAL 39 -9.683 -1.324 -1.231 277 HA VAL 39 HA VAL 39 -11.279 -0.319 0.947 278 HB VAL 39 HB VAL 39 -11.351 -0.625 -1.798 279 1HG1 VAL 39 1HG1 VAL 39 -13.762 -2.200 -0.754 280 2HG1 VAL 39 2HG1 VAL 39 -13.556 -1.593 -2.408 281 3HG1 VAL 39 3HG1 VAL 39 -12.493 -2.843 -1.811 282 1HG2 VAL 39 1HG2 VAL 39 -13.752 0.197 -0.144 283 2HG2 VAL 39 2HG2 VAL 39 -12.339 1.218 -0.495 284 3HG2 VAL 39 3HG2 VAL 39 -13.374 0.680 -1.809 285 H SER 40 H SER 40 -10.762 -3.401 -0.679 286 HA SER 40 HA SER 40 -12.003 -5.196 1.070 287 1HB SER 40 1HB SER 40 -9.920 -5.094 -1.129 288 2HB SER 40 2HB SER 40 -10.160 -6.552 -0.267 289 HG SER 40 HG SER 40 -12.320 -6.553 -0.777 290 H ALA 41 H ALA 41 -8.563 -3.839 0.967 291 HA ALA 41 HA ALA 41 -7.967 -5.455 3.307 292 1HB ALA 41 1HB ALA 41 -6.230 -4.938 1.706 293 2HB ALA 41 2HB ALA 41 -6.382 -3.215 2.012 294 3HB ALA 41 3HB ALA 41 -5.799 -4.304 3.296 295 H GLY 42 H GLY 42 -9.575 -2.370 3.030 296 1HA GLY 42 1HA GLY 42 -10.882 -1.615 4.849 297 2HA GLY 42 2HA GLY 42 -9.860 -2.509 5.980 298 H ILE 43 H ILE 43 -8.306 -0.671 3.534 299 HA ILE 43 HA ILE 43 -6.925 1.057 5.420 300 HB ILE 43 HB ILE 43 -7.066 0.578 2.444 301 1HG1 ILE 43 1HG1 ILE 43 -4.900 -0.281 2.357 302 2HG1 ILE 43 2HG1 ILE 43 -4.389 0.435 3.859 303 1HG2 ILE 43 1HG2 ILE 43 -5.368 2.120 1.959 304 2HG2 ILE 43 2HG2 ILE 43 -6.600 3.059 2.758 305 3HG2 ILE 43 3HG2 ILE 43 -5.153 2.610 3.674 306 1HD1 ILE 43 1HD1 ILE 43 -6.393 -1.809 3.628 307 2HD1 ILE 43 2HD1 ILE 43 -4.671 -2.019 4.011 308 3HD1 ILE 43 3HD1 ILE 43 -5.759 -1.173 5.140 309 H SER 44 H SER 44 -9.545 1.393 2.878 310 HA SER 44 HA SER 44 -10.815 3.447 4.422 311 1HB SER 44 1HB SER 44 -9.092 4.347 2.212 312 2HB SER 44 2HB SER 44 -10.797 4.747 1.944 313 HG SER 44 HG SER 44 -9.446 6.283 3.143 314 HA PRO 45 HA PRO 45 -13.319 0.617 1.990 315 1HB PRO 45 1HB PRO 45 -15.521 0.445 3.540 316 2HB PRO 45 2HB PRO 45 -13.942 -0.208 4.098 317 1HG PRO 45 1HG PRO 45 -15.249 2.424 4.824 318 2HG PRO 45 2HG PRO 45 -14.438 1.251 5.905 319 1HD PRO 45 1HD PRO 45 -13.240 3.525 4.782 320 2HD PRO 45 2HD PRO 45 -12.339 2.086 5.362 321 H SER 46 H SER 46 -13.927 3.945 2.626 322 HA SER 46 HA SER 46 -16.634 3.981 1.643 323 1HB SER 46 1HB SER 46 -14.680 6.000 2.668 324 2HB SER 46 2HB SER 46 -16.409 6.286 2.477 325 HG SER 46 HG SER 46 -16.767 4.754 4.113 326 H LYS 47 H LYS 47 -16.550 3.645 -0.620 327 HA LYS 47 HA LYS 47 -14.573 3.737 -2.240 328 1HB LYS 47 1HB LYS 47 -16.996 3.100 -2.632 329 2HB LYS 47 2HB LYS 47 -17.212 4.696 -3.362 330 1HG LYS 47 1HG LYS 47 -15.658 4.176 -5.129 331 2HG LYS 47 2HG LYS 47 -15.006 2.782 -4.245 332 1HD LYS 47 1HD LYS 47 -17.186 1.617 -4.436 333 2HD LYS 47 2HD LYS 47 -17.821 2.962 -5.412 334 1HE LYS 47 1HE LYS 47 -16.064 2.559 -7.105 335 2HE LYS 47 2HE LYS 47 -15.361 1.294 -6.084 336 1HZ LYS 47 1HZ LYS 47 -17.314 -0.023 -6.385 337 2HZ LYS 47 2HZ LYS 47 -18.064 1.115 -7.282 338 3HZ LYS 47 3HZ LYS 47 -16.718 0.383 -7.847 339 H ARG 48 H ARG 48 -16.143 6.910 -1.665 340 HA ARG 48 HA ARG 48 -14.486 8.340 -3.577 341 1HB ARG 48 1HB ARG 48 -16.674 9.092 -2.302 342 2HB ARG 48 2HB ARG 48 -15.587 9.585 -1.018 343 1HG ARG 48 1HG ARG 48 -15.720 10.591 -3.883 344 2HG ARG 48 2HG ARG 48 -16.178 11.464 -2.433 345 1HD ARG 48 1HD ARG 48 -13.350 10.760 -3.313 346 2HD ARG 48 2HD ARG 48 -14.131 12.332 -3.371 347 HE ARG 48 HE ARG 48 -14.037 11.293 -0.661 348 1HH1 ARG 48 2HH2 ARG 48 -12.126 13.058 -3.143 349 2HH1 ARG 48 1HH2 ARG 48 -10.979 13.611 -1.956 350 1HH2 ARG 48 2HH1 ARG 48 -12.347 12.036 0.843 351 2HH2 ARG 48 1HH1 ARG 48 -11.053 12.954 0.181 352 H GLN 49 H GLN 49 -14.198 7.653 -0.045 353 HA GLN 49 HA GLN 49 -11.799 9.177 0.268 354 1HB GLN 49 1HB GLN 49 -13.602 8.074 2.054 355 2HB GLN 49 2HB GLN 49 -12.430 6.786 2.056 356 1HG GLN 49 1HG GLN 49 -12.137 8.646 3.840 357 2HG GLN 49 2HG GLN 49 -10.710 8.131 2.947 358 1HE2 GLN 49 1HE2 GLN 49 -9.419 9.741 2.197 359 2HE2 GLN 49 2HE2 GLN 49 -9.913 11.329 1.678 360 H ALA 50 H ALA 50 -12.638 5.802 -0.283 361 HA ALA 50 HA ALA 50 -10.147 4.669 -0.250 362 1HB ALA 50 1HB ALA 50 -12.286 3.426 -0.614 363 2HB ALA 50 2HB ALA 50 -12.415 4.124 -2.237 364 3HB ALA 50 3HB ALA 50 -11.130 3.019 -1.910 365 H ARG 51 H ARG 51 -11.766 6.108 -3.110 366 HA ARG 51 HA ARG 51 -9.549 5.912 -4.832 367 1HB ARG 51 1HB ARG 51 -12.004 7.729 -4.730 368 2HB ARG 51 2HB ARG 51 -10.717 8.078 -5.897 369 1HG ARG 51 1HG ARG 51 -10.831 5.876 -6.824 370 2HG ARG 51 2HG ARG 51 -12.050 5.370 -5.627 371 1HD ARG 51 1HD ARG 51 -13.752 6.667 -6.639 372 2HD ARG 51 2HD ARG 51 -12.576 7.695 -7.482 373 HE ARG 51 HE ARG 51 -12.502 6.293 -9.191 374 1HH1 ARG 51 2HH2 ARG 51 -13.785 4.365 -6.485 375 2HH1 ARG 51 1HH2 ARG 51 -13.655 2.850 -7.345 376 1HH2 ARG 51 2HH1 ARG 51 -12.113 4.229 -10.141 377 2HH2 ARG 51 1HH1 ARG 51 -13.039 2.860 -9.630 378 H GLU 52 H GLU 52 -10.239 8.494 -2.477 379 HA GLU 52 HA GLU 52 -7.915 9.948 -3.608 380 1HB GLU 52 1HB GLU 52 -9.837 11.218 -2.687 381 2HB GLU 52 2HB GLU 52 -9.603 10.436 -1.121 382 1HG GLU 52 1HG GLU 52 -7.268 11.564 -1.026 383 2HG GLU 52 2HG GLU 52 -7.700 12.425 -2.477 384 H ASP 53 H ASP 53 -8.458 7.760 -0.842 385 HA ASP 53 HA ASP 53 -5.942 8.217 0.341 386 1HB ASP 53 1HB ASP 53 -8.078 6.087 0.334 387 2HB ASP 53 2HB ASP 53 -6.495 5.553 0.644 388 H ILE 54 H ILE 54 -7.065 6.550 -2.626 389 HA ILE 54 HA ILE 54 -4.432 5.382 -2.914 390 HB ILE 54 HB ILE 54 -7.060 4.758 -3.969 391 1HG1 ILE 54 1HG1 ILE 54 -5.661 2.844 -5.017 392 2HG1 ILE 54 2HG1 ILE 54 -4.280 3.612 -4.203 393 1HG2 ILE 54 1HG2 ILE 54 -6.811 6.062 -5.977 394 2HG2 ILE 54 2HG2 ILE 54 -5.202 5.396 -6.297 395 3HG2 ILE 54 3HG2 ILE 54 -6.644 4.376 -6.383 396 1HD1 ILE 54 1HD1 ILE 54 -5.617 3.480 -2.102 397 2HD1 ILE 54 2HD1 ILE 54 -6.813 2.521 -3.003 398 3HD1 ILE 54 3HD1 ILE 54 -5.152 1.909 -2.788 399 H GLN 55 H GLN 55 -6.332 7.908 -4.566 400 HA GLN 55 HA GLN 55 -4.305 8.533 -6.431 401 1HB GLN 55 1HB GLN 55 -6.848 9.872 -5.485 402 2HB GLN 55 2HB GLN 55 -5.792 10.678 -6.639 403 1HG GLN 55 1HG GLN 55 -6.240 9.281 -8.334 404 2HG GLN 55 2HG GLN 55 -6.322 7.843 -7.337 405 1HE2 GLN 55 1HE2 GLN 55 -8.098 7.165 -8.608 406 2HE2 GLN 55 2HE2 GLN 55 -9.695 7.880 -8.467 407 H ASN 56 H ASN 56 -4.371 9.220 -3.078 408 HA ASN 56 HA ASN 56 -2.756 11.532 -3.478 409 1HB ASN 56 1HB ASN 56 -3.702 10.035 -1.027 410 2HB ASN 56 2HB ASN 56 -2.185 10.878 -0.849 411 1HD2 ASN 56 1HD2 ASN 56 -5.474 11.531 -2.082 412 2HD2 ASN 56 2HD2 ASN 56 -5.487 13.214 -1.558 413 H GLY 57 H GLY 57 -0.683 11.856 -3.521 414 1HA GLY 57 1HA GLY 57 1.215 9.710 -3.655 415 2HA GLY 57 2HA GLY 57 1.581 11.438 -3.470 416 H ALA 58 H ALA 58 -0.517 10.204 -1.045 417 HA ALA 58 HA ALA 58 1.617 10.126 0.995 418 1HB ALA 58 1HB ALA 58 -1.425 9.980 1.266 419 2HB ALA 58 2HB ALA 58 -0.248 10.034 2.597 420 3HB ALA 58 3HB ALA 58 -0.415 11.422 1.522 421 H ILE 59 H ILE 59 -0.393 7.885 -1.070 422 HA ILE 59 HA ILE 59 0.468 5.591 0.614 423 HB ILE 59 HB ILE 59 -1.658 5.827 0.227 424 1HG1 ILE 59 1HG1 ILE 59 -1.136 3.679 0.330 425 2HG1 ILE 59 2HG1 ILE 59 -2.353 3.812 -0.947 426 1HG2 ILE 59 1HG2 ILE 59 -2.485 5.479 -2.353 427 2HG2 ILE 59 2HG2 ILE 59 -2.237 7.075 -1.673 428 3HG2 ILE 59 3HG2 ILE 59 -0.996 6.314 -2.700 429 1HD1 ILE 59 1HD1 ILE 59 0.558 3.328 -1.292 430 2HD1 ILE 59 2HD1 ILE 59 -0.854 2.350 -1.816 431 3HD1 ILE 59 3HD1 ILE 59 -0.503 3.881 -2.628 432 H TYR 60 H TYR 60 2.530 5.827 0.541 433 HA TYR 60 HA TYR 60 3.996 5.507 -1.934 434 1HB TYR 60 1HB TYR 60 4.808 5.301 0.974 435 2HB TYR 60 2HB TYR 60 5.909 5.340 -0.382 436 HD1 TYR 60 1HD TYR 60 6.535 7.467 -1.377 437 HD2 TYR 60 2HD TYR 60 3.524 7.383 1.704 438 HE1 TYR 60 1HE TYR 60 6.739 9.907 -1.116 439 HE2 TYR 60 2HE TYR 60 3.788 9.790 2.039 440 HH TYR 60 HH TYR 60 5.835 11.843 -0.065 441 H VAL 61 H VAL 61 3.915 3.580 -2.977 442 HA VAL 61 HA VAL 61 3.179 1.181 -1.366 443 HB VAL 61 HB VAL 61 3.322 1.285 -4.403 444 1HG1 VAL 61 1HG1 VAL 61 2.266 -0.902 -4.200 445 2HG1 VAL 61 2HG1 VAL 61 3.633 -0.939 -3.078 446 3HG1 VAL 61 3HG1 VAL 61 2.007 -0.674 -2.469 447 1HG2 VAL 61 1HG2 VAL 61 1.078 1.472 -2.392 448 2HG2 VAL 61 2HG2 VAL 61 1.436 2.664 -3.665 449 3HG2 VAL 61 3HG2 VAL 61 0.773 1.054 -4.060 450 H ASN 62 H ASN 62 4.727 -0.089 -0.777 451 HA ASN 62 HA ASN 62 6.847 -0.777 -0.334 452 1HB ASN 62 1HB ASN 62 6.782 -0.956 -3.274 453 2HB ASN 62 2HB ASN 62 8.156 -1.512 -2.306 454 1HD2 ASN 62 1HD2 ASN 62 5.208 -2.473 -3.550 455 2HD2 ASN 62 2HD2 ASN 62 4.815 -3.812 -2.555 456 H GLY 63 H GLY 63 6.870 1.499 0.292 457 1HA GLY 63 1HA GLY 63 8.087 3.412 0.825 458 2HA GLY 63 2HA GLY 63 9.421 2.675 -0.057 459 H GLU 64 H GLU 64 6.779 3.101 -2.320 460 HA GLU 64 HA GLU 64 8.072 5.593 -3.258 461 1HB GLU 64 1HB GLU 64 9.009 3.628 -4.291 462 2HB GLU 64 2HB GLU 64 7.386 3.090 -4.770 463 1HG GLU 64 1HG GLU 64 7.107 5.080 -6.174 464 2HG GLU 64 2HG GLU 64 8.629 5.734 -5.577 465 H ARG 65 H ARG 65 6.683 7.170 -3.670 466 HA ARG 65 HA ARG 65 3.917 7.104 -3.148 467 1HB ARG 65 1HB ARG 65 5.125 9.123 -2.964 468 2HB ARG 65 2HB ARG 65 5.880 8.942 -4.529 469 1HG ARG 65 1HG ARG 65 2.955 9.256 -4.735 470 2HG ARG 65 2HG ARG 65 3.733 10.565 -3.836 471 1HD ARG 65 1HD ARG 65 5.463 10.667 -5.748 472 2HD ARG 65 2HD ARG 65 4.357 9.663 -6.692 473 HE ARG 65 HE ARG 65 2.880 11.867 -5.758 474 1HH1 ARG 65 2HH2 ARG 65 5.734 11.353 -7.833 475 2HH1 ARG 65 1HH2 ARG 65 5.605 12.881 -8.612 476 1HH2 ARG 65 2HH1 ARG 65 2.720 13.907 -6.789 477 2HH2 ARG 65 1HH1 ARG 65 4.039 14.437 -7.792 478 H LEU 66 H LEU 66 2.532 5.656 -4.252 479 HA LEU 66 HA LEU 66 2.589 5.800 -7.221 480 1HB LEU 66 1HB LEU 66 2.912 3.379 -5.524 481 2HB LEU 66 2HB LEU 66 2.397 3.351 -7.226 482 HG LEU 66 HG LEU 66 4.993 4.634 -6.373 483 1HD1 LEU 66 1HD1 LEU 66 4.996 2.337 -5.679 484 2HD1 LEU 66 2HD1 LEU 66 4.402 1.816 -7.288 485 3HD1 LEU 66 3HD1 LEU 66 6.033 2.531 -7.111 486 1HD2 LEU 66 1HD2 LEU 66 4.162 3.529 -9.074 487 2HD2 LEU 66 2HD2 LEU 66 4.175 5.265 -8.646 488 3HD2 LEU 66 3HD2 LEU 66 5.677 4.338 -8.653 489 H GLN 67 H GLN 67 0.587 6.685 -7.499 490 HA GLN 67 HA GLN 67 -1.731 5.820 -5.956 491 1HB GLN 67 1HB GLN 67 -2.212 8.320 -5.857 492 2HB GLN 67 2HB GLN 67 -0.955 7.770 -4.827 493 1HG GLN 67 1HG GLN 67 -1.072 9.918 -6.507 494 2HG GLN 67 2HG GLN 67 0.289 9.353 -5.562 495 1HE2 GLN 67 1HE2 GLN 67 2.216 8.598 -6.744 496 2HE2 GLN 67 2HE2 GLN 67 2.222 8.463 -8.472 497 H ASP 68 H ASP 68 -1.191 4.820 -8.576 498 HA ASP 68 HA ASP 68 -3.668 5.710 -9.856 499 1HB ASP 68 1HB ASP 68 -1.655 6.849 -10.881 500 2HB ASP 68 2HB ASP 68 -1.067 5.267 -11.373 501 H VAL 69 H VAL 69 -4.477 3.971 -11.327 502 HA VAL 69 HA VAL 69 -4.005 1.284 -10.313 503 HB VAL 69 HB VAL 69 -6.135 2.428 -11.115 504 1HG1 VAL 69 1HG1 VAL 69 -6.780 2.265 -13.455 505 2HG1 VAL 69 2HG1 VAL 69 -5.408 3.364 -13.249 506 3HG1 VAL 69 3HG1 VAL 69 -5.157 1.730 -13.900 507 1HG2 VAL 69 1HG2 VAL 69 -5.633 -0.235 -12.415 508 2HG2 VAL 69 2HG2 VAL 69 -5.844 -0.019 -10.664 509 3HG2 VAL 69 3HG2 VAL 69 -7.161 0.403 -11.779 510 H GLY 70 H GLY 70 -2.885 3.101 -13.102 511 1HA GLY 70 1HA GLY 70 -1.404 0.838 -14.208 512 2HA GLY 70 2HA GLY 70 -1.262 2.550 -14.673 513 H ALA 71 H ALA 71 -1.031 2.670 -11.463 514 HA ALA 71 HA ALA 71 1.923 2.556 -11.469 515 1HB ALA 71 1HB ALA 71 0.213 3.645 -9.224 516 2HB ALA 71 2HB ALA 71 1.960 3.704 -9.408 517 3HB ALA 71 3HB ALA 71 0.950 4.608 -10.527 518 H ILE 72 H ILE 72 -0.827 1.209 -9.289 519 HA ILE 72 HA ILE 72 0.780 -1.257 -9.244 520 HB ILE 72 HB ILE 72 -0.762 -0.372 -6.881 521 1HG1 ILE 72 1HG1 ILE 72 1.736 0.267 -6.094 522 2HG1 ILE 72 2HG1 ILE 72 1.876 0.801 -7.721 523 1HG2 ILE 72 1HG2 ILE 72 0.101 -2.712 -6.962 524 2HG2 ILE 72 2HG2 ILE 72 1.743 -2.105 -7.159 525 3HG2 ILE 72 3HG2 ILE 72 0.825 -1.810 -5.662 526 1HD1 ILE 72 1HD1 ILE 72 -0.519 1.547 -5.917 527 2HD1 ILE 72 2HD1 ILE 72 0.952 2.448 -5.921 528 3HD1 ILE 72 3HD1 ILE 72 -0.002 2.375 -7.405 529 H LEU 73 H LEU 73 -0.400 -3.191 -9.198 530 HA LEU 73 HA LEU 73 -3.269 -3.053 -8.783 531 1HB LEU 73 1HB LEU 73 -1.783 -4.906 -10.613 532 2HB LEU 73 2HB LEU 73 -3.493 -4.998 -10.191 533 HG LEU 73 HG LEU 73 -2.251 -2.545 -11.528 534 1HD1 LEU 73 1HD1 LEU 73 -2.194 -4.594 -12.985 535 2HD1 LEU 73 2HD1 LEU 73 -3.949 -4.734 -12.780 536 3HD1 LEU 73 3HD1 LEU 73 -3.239 -3.321 -13.593 537 1HD2 LEU 73 1HD2 LEU 73 -5.101 -3.288 -10.945 538 2HD2 LEU 73 2HD2 LEU 73 -4.163 -1.806 -10.495 539 3HD2 LEU 73 3HD2 LEU 73 -4.612 -2.103 -12.164 540 H THR 74 H THR 74 -1.309 -6.056 -8.830 541 HA THR 74 HA THR 74 -1.829 -6.264 -5.972 542 HB THR 74 HB THR 74 -0.977 -8.713 -6.725 543 HG1 THR 74 1HG THR 74 -1.307 -9.090 -8.877 544 1HG2 THR 74 1HG2 THR 74 -3.310 -9.197 -7.192 545 2HG2 THR 74 2HG2 THR 74 -3.200 -8.004 -5.898 546 3HG2 THR 74 3HG2 THR 74 -3.630 -7.464 -7.505 547 H ALA 75 H ALA 75 -0.198 -7.897 -4.901 548 HA ALA 75 HA ALA 75 2.193 -6.556 -4.365 549 1HB ALA 75 1HB ALA 75 1.296 -9.479 -4.081 550 2HB ALA 75 2HB ALA 75 2.835 -8.917 -3.460 551 3HB ALA 75 3HB ALA 75 1.318 -8.236 -2.810 552 H GLU 76 H GLU 76 1.700 -9.305 -6.555 553 HA GLU 76 HA GLU 76 4.353 -9.484 -7.525 554 1HB GLU 76 1HB GLU 76 3.354 -10.832 -9.319 555 2HB GLU 76 2HB GLU 76 2.518 -11.174 -7.812 556 1HG GLU 76 1HG GLU 76 0.929 -9.196 -8.658 557 2HG GLU 76 2HG GLU 76 1.542 -9.658 -10.233 558 H HIS 77 H HIS 77 2.005 -7.054 -8.071 559 HA HIS 77 HA HIS 77 3.111 -6.294 -10.706 560 1HB HIS 77 1HB HIS 77 0.675 -6.218 -10.229 561 2HB HIS 77 2HB HIS 77 0.975 -5.003 -8.991 562 HD1 HIS 77 1HD HIS 77 2.238 -2.654 -9.996 563 HD2 HIS 77 2HD HIS 77 -0.210 -5.155 -12.315 564 HE1 HIS 77 1HE HIS 77 0.849 -1.154 -11.525 565 H ARG 78 H ARG 78 3.738 -5.768 -7.283 566 HA ARG 78 HA ARG 78 5.091 -3.208 -7.964 567 1HB ARG 78 1HB ARG 78 3.518 -3.724 -5.747 568 2HB ARG 78 2HB ARG 78 5.130 -3.929 -5.126 569 1HG ARG 78 1HG ARG 78 3.701 -1.481 -6.035 570 2HG ARG 78 2HG ARG 78 4.767 -1.649 -4.729 571 1HD ARG 78 1HD ARG 78 5.597 -1.210 -7.604 572 2HD ARG 78 2HD ARG 78 5.664 -0.079 -6.279 573 HE ARG 78 HE ARG 78 7.433 -2.407 -6.768 574 1HH1 ARG 78 2HH2 ARG 78 7.043 0.771 -5.080 575 2HH1 ARG 78 1HH2 ARG 78 8.760 0.953 -5.022 576 1HH2 ARG 78 2HH1 ARG 78 9.598 -2.138 -6.421 577 2HH2 ARG 78 1HH1 ARG 78 10.223 -0.664 -5.780 578 H LEU 79 H LEU 79 5.881 -6.159 -5.771 579 HA LEU 79 HA LEU 79 8.600 -6.035 -6.752 580 1HB LEU 79 1HB LEU 79 8.705 -7.724 -4.789 581 2HB LEU 79 2HB LEU 79 8.753 -5.975 -4.521 582 HG LEU 79 HG LEU 79 6.067 -7.113 -4.206 583 1HD1 LEU 79 1HD1 LEU 79 6.745 -8.060 -1.925 584 2HD1 LEU 79 2HD1 LEU 79 7.228 -9.019 -3.360 585 3HD1 LEU 79 3HD1 LEU 79 8.415 -8.030 -2.473 586 1HD2 LEU 79 1HD2 LEU 79 6.895 -4.805 -3.615 587 2HD2 LEU 79 2HD2 LEU 79 6.196 -5.658 -2.221 588 3HD2 LEU 79 3HD2 LEU 79 7.934 -5.516 -2.368 589 H GLU 80 H GLU 80 9.509 -8.145 -6.997 590 HA GLU 80 HA GLU 80 9.052 -9.730 -8.904 591 1HB GLU 80 1HB GLU 80 10.170 -11.555 -7.696 592 2HB GLU 80 2HB GLU 80 10.860 -9.975 -7.324 593 1HG GLU 80 1HG GLU 80 9.404 -10.005 -5.177 594 2HG GLU 80 2HG GLU 80 9.069 -11.694 -5.549 595 H GLY 81 H GLY 81 7.261 -10.488 -5.912 596 1HA GLY 81 1HA GLY 81 4.894 -11.530 -6.814 597 2HA GLY 81 2HA GLY 81 6.054 -12.833 -7.096 598 H ARG 82 H ARG 82 5.442 -10.424 -4.451 599 HA ARG 82 HA ARG 82 5.080 -12.726 -2.643 600 1HB ARG 82 1HB ARG 82 7.389 -10.803 -2.247 601 2HB ARG 82 2HB ARG 82 6.568 -11.471 -0.849 602 1HG ARG 82 1HG ARG 82 7.840 -13.155 -3.047 603 2HG ARG 82 2HG ARG 82 8.595 -12.718 -1.526 604 1HD ARG 82 1HD ARG 82 7.590 -14.380 -0.458 605 2HD ARG 82 2HD ARG 82 6.017 -13.719 -0.812 606 HE ARG 82 HE ARG 82 6.157 -14.936 -3.043 607 1HH1 ARG 82 2HH2 ARG 82 8.038 -16.148 -0.269 608 2HH1 ARG 82 1HH2 ARG 82 7.780 -17.810 -0.673 609 1HH2 ARG 82 2HH1 ARG 82 5.609 -17.278 -3.373 610 2HH2 ARG 82 1HH1 ARG 82 5.977 -18.327 -2.033 611 H PHE 83 H PHE 83 5.547 -9.287 -1.790 612 HA PHE 83 HA PHE 83 2.764 -9.284 -0.729 613 1HB PHE 83 1HB PHE 83 5.286 -8.435 0.757 614 2HB PHE 83 2HB PHE 83 3.635 -8.275 1.329 615 HD1 PHE 83 1HD PHE 83 5.954 -9.508 2.818 616 HD2 PHE 83 2HD PHE 83 2.796 -11.238 0.418 617 HE1 PHE 83 1HE PHE 83 6.164 -11.647 4.048 618 HE2 PHE 83 2HE PHE 83 3.028 -13.355 1.651 619 HZ PHE 83 HZ PHE 83 4.729 -13.557 3.443 620 H THR 84 H THR 84 2.600 -6.772 0.231 621 HA THR 84 HA THR 84 4.484 -4.995 -1.091 622 HB THR 84 HB THR 84 1.738 -5.521 -2.128 623 HG1 THR 84 1HG THR 84 3.713 -5.811 -3.174 624 1HG2 THR 84 1HG2 THR 84 1.129 -3.353 -1.270 625 2HG2 THR 84 2HG2 THR 84 2.675 -2.672 -1.811 626 3HG2 THR 84 3HG2 THR 84 1.457 -3.199 -3.005 627 H VAL 85 H VAL 85 4.848 -3.222 0.173 628 HA VAL 85 HA VAL 85 3.219 -2.785 2.579 629 HB VAL 85 HB VAL 85 5.345 -0.889 1.492 630 1HG1 VAL 85 1HG1 VAL 85 3.967 -0.084 3.386 631 2HG1 VAL 85 2HG1 VAL 85 4.331 -1.558 4.300 632 3HG1 VAL 85 3HG1 VAL 85 5.611 -0.396 3.934 633 1HG2 VAL 85 1HG2 VAL 85 5.817 -3.337 3.198 634 2HG2 VAL 85 2HG2 VAL 85 6.450 -3.079 1.568 635 3HG2 VAL 85 3HG2 VAL 85 7.005 -2.043 2.866 636 H ILE 86 H ILE 86 1.651 -1.281 2.737 637 HA ILE 86 HA ILE 86 1.228 0.731 0.584 638 HB ILE 86 HB ILE 86 -0.499 -0.692 2.622 639 1HG1 ILE 86 1HG1 ILE 86 -0.127 -1.929 0.448 640 2HG1 ILE 86 2HG1 ILE 86 -1.819 -1.461 0.647 641 1HG2 ILE 86 1HG2 ILE 86 -1.367 1.522 2.645 642 2HG2 ILE 86 2HG2 ILE 86 -1.108 1.699 0.902 643 3HG2 ILE 86 3HG2 ILE 86 -2.419 0.649 1.517 644 1HD1 ILE 86 1HD1 ILE 86 -0.996 -1.075 -1.675 645 2HD1 ILE 86 2HD1 ILE 86 -1.527 0.428 -0.910 646 3HD1 ILE 86 3HD1 ILE 86 0.198 0.060 -1.055 647 H ARG 87 H ARG 87 2.468 2.401 1.305 648 HA ARG 87 HA ARG 87 2.718 2.623 4.242 649 1HB ARG 87 1HB ARG 87 4.796 2.095 3.007 650 2HB ARG 87 2HB ARG 87 4.606 3.528 2.047 651 1HG ARG 87 1HG ARG 87 4.731 4.798 4.315 652 2HG ARG 87 2HG ARG 87 5.509 3.294 4.870 653 1HD ARG 87 1HD ARG 87 7.244 3.463 3.249 654 2HD ARG 87 2HD ARG 87 6.447 4.791 2.405 655 HE ARG 87 HE ARG 87 8.191 4.978 4.654 656 1HH1 ARG 87 2HH2 ARG 87 5.346 6.581 3.197 657 2HH1 ARG 87 1HH2 ARG 87 5.633 8.080 4.014 658 1HH2 ARG 87 2HH1 ARG 87 8.656 7.042 5.512 659 2HH2 ARG 87 1HH1 ARG 87 7.583 8.375 5.231 660 H ARG 88 H ARG 88 0.584 3.606 4.242 661 HA ARG 88 HA ARG 88 -0.145 5.865 2.707 662 1HB ARG 88 1HB ARG 88 -1.398 3.920 3.025 663 2HB ARG 88 2HB ARG 88 -1.361 4.008 4.757 664 1HG ARG 88 1HG ARG 88 -3.566 4.722 4.127 665 2HG ARG 88 2HG ARG 88 -2.663 6.054 4.793 666 1HD ARG 88 1HD ARG 88 -3.667 7.081 3.007 667 2HD ARG 88 2HD ARG 88 -2.123 6.682 2.295 668 HE ARG 88 HE ARG 88 -4.236 6.266 1.003 669 1HH1 ARG 88 2HH2 ARG 88 -2.915 3.465 2.716 670 2HH1 ARG 88 1HH2 ARG 88 -3.331 2.365 1.454 671 1HH2 ARG 88 2HH1 ARG 88 -4.775 4.855 -0.518 672 2HH2 ARG 88 1HH1 ARG 88 -4.649 3.139 -0.347 673 H GLY 89 H GLY 89 0.839 7.809 3.583 674 1HA GLY 89 1HA GLY 89 1.550 8.460 6.143 675 2HA GLY 89 2HA GLY 89 0.950 9.642 4.980 676 H LYS 90 H LYS 90 -1.795 8.525 4.938 677 HA LYS 90 HA LYS 90 -3.091 9.932 6.989 678 1HB LYS 90 1HB LYS 90 -4.189 9.471 4.974 679 2HB LYS 90 2HB LYS 90 -3.927 7.754 5.066 680 1HG LYS 90 1HG LYS 90 -5.838 9.172 6.938 681 2HG LYS 90 2HG LYS 90 -6.264 8.609 5.326 682 1HD LYS 90 1HD LYS 90 -5.297 6.262 6.212 683 2HD LYS 90 2HD LYS 90 -5.682 6.980 7.780 684 1HE LYS 90 1HE LYS 90 -7.691 5.951 7.323 685 2HE LYS 90 2HE LYS 90 -7.989 7.564 6.656 686 1HZ LYS 90 1HZ LYS 90 -7.214 6.520 4.451 687 2HZ LYS 90 2HZ LYS 90 -7.427 5.058 5.195 688 3HZ LYS 90 3HZ LYS 90 -8.671 6.056 5.007 689 H LYS 91 H LYS 91 -1.607 6.791 7.328 690 HA LYS 91 HA LYS 91 -2.157 6.861 10.147 691 1HB LYS 91 1HB LYS 91 -4.135 5.703 9.936 692 2HB LYS 91 2HB LYS 91 -3.680 4.935 8.439 693 1HG LYS 91 1HG LYS 91 -4.167 3.366 10.199 694 2HG LYS 91 2HG LYS 91 -2.585 3.134 9.525 695 1HD LYS 91 1HD LYS 91 -1.557 4.086 11.585 696 2HD LYS 91 2HD LYS 91 -3.181 4.367 12.252 697 1HE LYS 91 1HE LYS 91 -3.714 2.001 12.203 698 2HE LYS 91 2HE LYS 91 -2.286 1.626 11.253 699 1HZ LYS 91 1HZ LYS 91 -0.898 1.937 13.152 700 2HZ LYS 91 2HZ LYS 91 -2.158 2.524 14.068 701 3HZ LYS 91 3HZ LYS 91 -2.102 0.974 13.557 702 H LYS 92 H LYS 92 -1.328 3.934 8.242 703 HA LYS 92 HA LYS 92 1.445 4.580 8.467 704 1HB LYS 92 1HB LYS 92 0.500 3.738 10.781 705 2HB LYS 92 2HB LYS 92 0.432 2.180 10.011 706 1HG LYS 92 1HG LYS 92 2.446 2.385 11.360 707 2HG LYS 92 2HG LYS 92 2.919 2.264 9.682 708 1HD LYS 92 1HD LYS 92 4.298 3.936 10.501 709 2HD LYS 92 2HD LYS 92 3.070 4.847 9.670 710 1HE LYS 92 1HE LYS 92 2.861 6.054 11.561 711 2HE LYS 92 2HE LYS 92 1.983 4.665 12.221 712 1HZ LYS 92 1HZ LYS 92 3.859 5.243 13.692 713 2HZ LYS 92 2HZ LYS 92 4.233 3.819 12.945 714 3HZ LYS 92 3HZ LYS 92 4.898 5.185 12.438 715 H TYR 93 H TYR 93 1.813 1.551 8.531 716 HA TYR 93 HA TYR 93 1.869 1.451 5.621 717 1HB TYR 93 1HB TYR 93 3.653 0.303 7.664 718 2HB TYR 93 2HB TYR 93 3.969 0.458 5.934 719 HD1 TYR 93 1HD TYR 93 2.807 3.582 6.000 720 HD2 TYR 93 2HD TYR 93 5.755 1.475 8.343 721 HE1 TYR 93 1HE TYR 93 3.810 5.700 6.605 722 HE2 TYR 93 2HE TYR 93 6.818 3.620 8.889 723 HH TYR 93 HH TYR 93 6.827 6.002 8.419 724 H TYR 94 H TYR 94 0.008 0.248 5.185 725 HA TYR 94 HA TYR 94 -0.668 -2.081 6.850 726 1HB TYR 94 1HB TYR 94 -1.851 -0.965 4.277 727 2HB TYR 94 2HB TYR 94 -2.533 -2.133 5.326 728 HD1 TYR 94 1HD TYR 94 -1.548 1.505 5.247 729 HD2 TYR 94 2HD TYR 94 -4.088 -1.520 6.975 730 HE1 TYR 94 1HE TYR 94 -2.991 3.270 6.238 731 HE2 TYR 94 2HE TYR 94 -5.546 0.209 7.920 732 HH TYR 94 HH TYR 94 -6.049 2.478 7.886 733 H LEU 95 H LEU 95 -0.950 -4.139 5.705 734 HA LEU 95 HA LEU 95 1.253 -4.553 3.729 735 1HB LEU 95 1HB LEU 95 1.374 -5.340 6.175 736 2HB LEU 95 2HB LEU 95 0.181 -6.522 5.708 737 HG LEU 95 HG LEU 95 3.097 -6.408 5.294 738 1HD1 LEU 95 1HD1 LEU 95 1.880 -8.042 6.776 739 2HD1 LEU 95 2HD1 LEU 95 1.192 -8.798 5.330 740 3HD1 LEU 95 3HD1 LEU 95 2.947 -8.807 5.602 741 1HD2 LEU 95 1HD2 LEU 95 3.140 -7.915 3.395 742 2HD2 LEU 95 2HD2 LEU 95 1.408 -7.704 3.132 743 3HD2 LEU 95 3HD2 LEU 95 2.537 -6.317 2.937 744 H ILE 96 H ILE 96 0.730 -5.662 1.923 745 HA ILE 96 HA ILE 96 -2.038 -6.801 1.617 746 HB ILE 96 HB ILE 96 -0.415 -5.268 -0.429 747 1HG1 ILE 96 1HG1 ILE 96 -1.416 -3.750 1.223 748 2HG1 ILE 96 2HG1 ILE 96 -2.118 -3.551 -0.376 749 1HG2 ILE 96 1HG2 ILE 96 -2.425 -5.429 -1.884 750 2HG2 ILE 96 2HG2 ILE 96 -1.643 -6.980 -1.601 751 3HG2 ILE 96 3HG2 ILE 96 -3.139 -6.588 -0.737 752 1HD1 ILE 96 1HD1 ILE 96 -3.813 -3.383 1.371 753 2HD1 ILE 96 2HD1 ILE 96 -4.142 -4.792 0.351 754 3HD1 ILE 96 3HD1 ILE 96 -3.421 -5.004 1.963 755 H ARG 97 H ARG 97 -2.009 -8.918 1.187 756 HA ARG 97 HA ARG 97 0.050 -9.971 -0.623 757 1HB ARG 97 1HB ARG 97 -0.063 -12.017 0.856 758 2HB ARG 97 2HB ARG 97 0.842 -10.659 1.486 759 1HG ARG 97 1HG ARG 97 -1.021 -10.114 3.015 760 2HG ARG 97 2HG ARG 97 -1.979 -11.436 2.312 761 1HD ARG 97 1HD ARG 97 -0.005 -12.962 3.003 762 2HD ARG 97 2HD ARG 97 0.558 -11.568 3.945 763 HE ARG 97 HE ARG 97 -2.154 -12.026 4.644 764 1HH1 ARG 97 2HH2 ARG 97 1.046 -13.456 5.213 765 2HH1 ARG 97 1HH2 ARG 97 0.425 -14.814 6.110 766 1HH2 ARG 97 2HH1 ARG 97 -2.903 -13.518 6.095 767 2HH2 ARG 97 1HH1 ARG 97 -1.871 -14.719 6.842 768 H TYR 98 H TYR 98 -0.687 -12.315 -1.301 769 HA TYR 98 HA TYR 98 -3.555 -12.407 -1.691 770 1HB TYR 98 1HB TYR 98 -2.721 -13.774 -3.789 771 2HB TYR 98 2HB TYR 98 -3.017 -12.044 -3.868 772 HD1 TYR 98 1HD TYR 98 -1.626 -11.450 -5.668 773 HD2 TYR 98 2HD TYR 98 0.016 -13.880 -2.472 774 HE1 TYR 98 1HE TYR 98 0.626 -11.185 -6.592 775 HE2 TYR 98 2HE TYR 98 2.269 -13.549 -3.378 776 HH TYR 98 HH TYR 98 2.815 -12.787 -6.417 777 H ALA 99 H ALA 99 -4.236 -14.566 -2.163 778 HA ALA 99 HA ALA 99 -3.835 -16.158 0.090 779 1HB ALA 99 1HB ALA 99 -5.987 -15.781 -1.070 780 2HB ALA 99 2HB ALA 99 -5.389 -16.685 -2.487 781 3HB ALA 99 3HB ALA 99 -5.633 -17.503 -0.935 Start of MODEL 10 1 1H ALA 1 1H ALA 1 17.307 -15.054 6.554 2 2H ALA 1 2H ALA 1 18.517 -16.066 6.071 3 3H ALA 1 3H ALA 1 18.675 -14.422 5.922 4 HA ALA 1 HA ALA 1 18.204 -15.660 3.842 5 1HB ALA 1 1HB ALA 1 15.826 -16.280 3.512 6 2HB ALA 1 2HB ALA 1 16.611 -17.244 4.786 7 3HB ALA 1 3HB ALA 1 15.500 -15.925 5.216 8 H LEU 2 H LEU 2 18.738 -13.743 2.970 9 HA LEU 2 HA LEU 2 16.526 -12.300 1.982 10 1HB LEU 2 1HB LEU 2 17.027 -10.108 2.450 11 2HB LEU 2 2HB LEU 2 17.269 -10.861 4.011 12 HG LEU 2 HG LEU 2 19.454 -9.992 2.043 13 1HD1 LEU 2 1HD1 LEU 2 18.628 -8.866 4.738 14 2HD1 LEU 2 2HD1 LEU 2 19.936 -8.263 3.698 15 3HD1 LEU 2 3HD1 LEU 2 18.253 -8.148 3.162 16 1HD2 LEU 2 1HD2 LEU 2 20.318 -11.902 3.307 17 2HD2 LEU 2 2HD2 LEU 2 21.037 -10.421 3.929 18 3HD2 LEU 2 3HD2 LEU 2 19.719 -11.205 4.826 19 H PHE 3 H PHE 3 17.495 -10.800 0.134 20 HA PHE 3 HA PHE 3 20.150 -11.608 -0.729 21 1HB PHE 3 1HB PHE 3 18.600 -13.254 -1.818 22 2HB PHE 3 2HB PHE 3 17.867 -11.947 -2.716 23 HD1 PHE 3 1HD PHE 3 19.204 -10.715 -4.507 24 HD2 PHE 3 2HD PHE 3 20.726 -14.138 -2.363 25 HE1 PHE 3 1HE PHE 3 21.093 -10.875 -6.088 26 HE2 PHE 3 2HE PHE 3 22.569 -14.319 -3.969 27 HZ PHE 3 HZ PHE 3 22.793 -12.661 -5.825 28 H SER 4 H SER 4 17.786 -10.021 -2.866 29 HA SER 4 HA SER 4 18.334 -7.375 -1.897 30 1HB SER 4 1HB SER 4 20.468 -8.077 -3.152 31 2HB SER 4 2HB SER 4 19.513 -8.069 -4.633 32 HG SER 4 HG SER 4 19.506 -5.968 -4.593 33 H GLY 5 H GLY 5 17.801 -7.258 -5.265 34 1HA GLY 5 1HA GLY 5 15.971 -8.078 -6.579 35 2HA GLY 5 2HA GLY 5 14.970 -8.122 -5.115 36 H ASP 6 H ASP 6 13.526 -6.823 -6.606 37 HA ASP 6 HA ASP 6 14.254 -4.013 -7.109 38 1HB ASP 6 1HB ASP 6 11.689 -5.633 -7.225 39 2HB ASP 6 2HB ASP 6 11.638 -3.876 -7.300 40 H ILE 7 H ILE 7 12.463 -5.809 -4.677 41 HA ILE 7 HA ILE 7 12.382 -3.420 -3.013 42 HB ILE 7 HB ILE 7 11.009 -4.580 -1.569 43 1HG1 ILE 7 1HG1 ILE 7 11.514 -6.951 -1.730 44 2HG1 ILE 7 2HG1 ILE 7 9.840 -6.732 -2.157 45 1HG2 ILE 7 1HG2 ILE 7 8.991 -4.557 -2.910 46 2HG2 ILE 7 2HG2 ILE 7 10.081 -3.258 -3.390 47 3HG2 ILE 7 3HG2 ILE 7 9.928 -4.698 -4.410 48 1HD1 ILE 7 1HD1 ILE 7 12.171 -7.417 -3.965 49 2HD1 ILE 7 2HD1 ILE 7 10.725 -8.372 -3.630 50 3HD1 ILE 7 3HD1 ILE 7 10.599 -6.911 -4.626 51 H ALA 8 H ALA 8 14.739 -3.907 -3.445 52 HA ALA 8 HA ALA 8 16.117 -5.745 -1.674 53 1HB ALA 8 1HB ALA 8 18.155 -4.342 -2.112 54 2HB ALA 8 2HB ALA 8 17.331 -4.798 -3.603 55 3HB ALA 8 3HB ALA 8 17.132 -3.157 -2.950 56 H ASN 9 H ASN 9 14.306 -3.037 -0.897 57 HA ASN 9 HA ASN 9 15.716 -2.489 1.641 58 1HB ASN 9 1HB ASN 9 13.458 -1.177 0.058 59 2HB ASN 9 2HB ASN 9 13.817 -0.758 1.714 60 1HD2 ASN 9 1HD2 ASN 9 14.810 -0.474 -1.625 61 2HD2 ASN 9 2HD2 ASN 9 15.856 0.908 -1.268 62 H LEU 10 H LEU 10 13.110 -4.297 0.197 63 HA LEU 10 HA LEU 10 11.840 -4.805 2.801 64 1HB LEU 10 1HB LEU 10 9.835 -3.805 2.491 65 2HB LEU 10 2HB LEU 10 11.099 -2.611 2.399 66 HG LEU 10 HG LEU 10 9.439 -3.514 -0.009 67 1HD1 LEU 10 1HD1 LEU 10 9.292 -1.146 1.877 68 2HD1 LEU 10 2HD1 LEU 10 8.439 -1.318 0.341 69 3HD1 LEU 10 3HD1 LEU 10 8.092 -2.443 1.657 70 1HD2 LEU 10 1HD2 LEU 10 10.330 -1.560 -1.116 71 2HD2 LEU 10 2HD2 LEU 10 11.267 -1.109 0.316 72 3HD2 LEU 10 3HD2 LEU 10 11.694 -2.561 -0.634 73 H THR 11 H THR 11 12.734 -6.919 1.944 74 HA THR 11 HA THR 11 11.111 -8.262 0.002 75 HB THR 11 HB THR 11 12.625 -10.074 1.619 76 HG1 THR 11 1HG THR 11 14.730 -8.880 1.031 77 1HG2 THR 11 1HG2 THR 11 13.800 -10.433 -0.422 78 2HG2 THR 11 2HG2 THR 11 12.144 -10.050 -0.873 79 3HG2 THR 11 3HG2 THR 11 13.402 -8.801 -1.039 80 H ALA 12 H ALA 12 10.607 -10.707 1.135 81 HA ALA 12 HA ALA 12 7.963 -10.004 2.213 82 1HB ALA 12 1HB ALA 12 7.851 -12.592 2.393 83 2HB ALA 12 2HB ALA 12 7.950 -11.870 0.764 84 3HB ALA 12 3HB ALA 12 9.371 -12.622 1.522 85 H ALA 13 H ALA 13 10.762 -11.737 3.536 86 HA ALA 13 HA ALA 13 9.607 -11.962 6.182 87 1HB ALA 13 1HB ALA 13 12.534 -11.807 5.338 88 2HB ALA 13 2HB ALA 13 11.915 -12.365 6.912 89 3HB ALA 13 3HB ALA 13 11.559 -13.290 5.437 90 H GLU 14 H GLU 14 11.308 -9.361 4.435 91 HA GLU 14 HA GLU 14 12.040 -7.893 6.814 92 1HB GLU 14 1HB GLU 14 13.221 -7.998 4.493 93 2HB GLU 14 2HB GLU 14 11.884 -7.034 3.904 94 1HG GLU 14 1HG GLU 14 13.685 -5.539 4.322 95 2HG GLU 14 2HG GLU 14 12.468 -5.226 5.557 96 H ILE 15 H ILE 15 9.413 -7.919 4.409 97 HA ILE 15 HA ILE 15 8.149 -5.541 5.324 98 HB ILE 15 HB ILE 15 7.438 -7.810 3.436 99 1HG1 ILE 15 1HG1 ILE 15 7.619 -4.778 3.170 100 2HG1 ILE 15 2HG1 ILE 15 8.919 -5.871 2.827 101 1HG2 ILE 15 1HG2 ILE 15 5.237 -6.716 2.934 102 2HG2 ILE 15 2HG2 ILE 15 5.317 -7.465 4.502 103 3HG2 ILE 15 3HG2 ILE 15 5.463 -5.696 4.378 104 1HD1 ILE 15 1HD1 ILE 15 7.651 -6.931 0.991 105 2HD1 ILE 15 2HD1 ILE 15 6.275 -5.845 1.279 106 3HD1 ILE 15 3HD1 ILE 15 7.804 -5.177 0.741 107 H GLU 16 H GLU 16 7.461 -9.056 5.776 108 HA GLU 16 HA GLU 16 5.245 -8.671 7.471 109 1HB GLU 16 1HB GLU 16 7.428 -10.750 7.441 110 2HB GLU 16 2HB GLU 16 6.025 -10.861 8.518 111 1HG GLU 16 1HG GLU 16 5.523 -10.500 5.553 112 2HG GLU 16 2HG GLU 16 6.067 -12.072 6.135 113 H GLN 17 H GLN 17 8.767 -8.784 8.447 114 HA GLN 17 HA GLN 17 8.000 -8.374 11.245 115 1HB GLN 17 1HB GLN 17 9.894 -9.813 10.408 116 2HB GLN 17 2HB GLN 17 10.719 -8.335 9.890 117 1HG GLN 17 1HG GLN 17 11.622 -9.120 12.007 118 2HG GLN 17 2HG GLN 17 10.811 -7.579 12.258 119 1HE2 GLN 17 1HE2 GLN 17 9.687 -7.629 14.232 120 2HE2 GLN 17 2HE2 GLN 17 8.837 -9.044 14.839 121 H GLY 18 H GLY 18 8.848 -6.472 8.424 122 1HA GLY 18 1HA GLY 18 9.744 -4.139 9.775 123 2HA GLY 18 2HA GLY 18 9.334 -4.295 8.066 124 H PHE 19 H PHE 19 6.615 -5.380 8.670 125 HA PHE 19 HA PHE 19 5.288 -2.840 9.494 126 1HB PHE 19 1HB PHE 19 4.826 -4.615 7.074 127 2HB PHE 19 2HB PHE 19 3.738 -3.356 7.611 128 HD1 PHE 19 1HD PHE 19 4.304 -1.023 7.448 129 HD2 PHE 19 2HD PHE 19 7.134 -3.985 6.234 130 HE1 PHE 19 1HE PHE 19 5.677 0.745 6.340 131 HE2 PHE 19 2HE PHE 19 8.559 -2.235 5.191 132 HZ PHE 19 HZ PHE 19 7.825 0.134 5.228 133 H LYS 20 H LYS 20 5.854 -5.602 10.758 134 HA LYS 20 HA LYS 20 3.460 -6.803 11.484 135 1HB LYS 20 1HB LYS 20 4.913 -8.071 12.709 136 2HB LYS 20 2HB LYS 20 6.163 -7.086 12.046 137 1HG LYS 20 1HG LYS 20 6.685 -7.157 14.262 138 2HG LYS 20 2HG LYS 20 5.998 -5.558 14.060 139 1HD LYS 20 1HD LYS 20 3.939 -7.506 14.804 140 2HD LYS 20 2HD LYS 20 5.283 -7.588 15.937 141 1HE LYS 20 1HE LYS 20 5.093 -5.305 16.549 142 2HE LYS 20 2HE LYS 20 4.078 -4.913 15.167 143 1HZ LYS 20 1HZ LYS 20 2.352 -6.351 16.162 144 2HZ LYS 20 2HZ LYS 20 3.308 -6.475 17.518 145 3HZ LYS 20 3HZ LYS 20 2.700 -5.029 17.084 146 H ASP 21 H ASP 21 4.340 -3.721 12.027 147 HA ASP 21 HA ASP 21 3.109 -3.036 14.575 148 1HB ASP 21 1HB ASP 21 4.981 -1.773 13.721 149 2HB ASP 21 2HB ASP 21 4.204 -1.569 12.154 150 H VAL 22 H VAL 22 1.875 -3.367 11.233 151 HA VAL 22 HA VAL 22 -0.722 -2.306 12.129 152 HB VAL 22 HB VAL 22 -0.268 -2.077 9.264 153 1HG1 VAL 22 1HG1 VAL 22 -1.369 -0.050 9.462 154 2HG1 VAL 22 2HG1 VAL 22 -2.006 -0.874 10.888 155 3HG1 VAL 22 3HG1 VAL 22 -0.719 0.271 11.092 156 1HG2 VAL 22 1HG2 VAL 22 2.061 -1.545 9.677 157 2HG2 VAL 22 2HG2 VAL 22 1.198 -0.048 9.310 158 3HG2 VAL 22 3HG2 VAL 22 1.611 -0.410 10.974 159 HA PRO 23 HA PRO 23 -1.878 -6.348 10.826 160 1HB PRO 23 1HB PRO 23 -4.421 -6.267 9.972 161 2HB PRO 23 2HB PRO 23 -4.007 -5.792 11.650 162 1HG PRO 23 1HG PRO 23 -4.404 -3.987 9.251 163 2HG PRO 23 2HG PRO 23 -5.131 -3.856 10.876 164 1HD PRO 23 1HD PRO 23 -2.859 -2.522 10.063 165 2HD PRO 23 2HD PRO 23 -3.140 -2.963 11.787 166 H SER 24 H SER 24 -2.789 -7.582 8.949 167 HA SER 24 HA SER 24 -1.910 -6.455 6.375 168 1HB SER 24 1HB SER 24 -1.190 -8.951 5.929 169 2HB SER 24 2HB SER 24 -0.111 -7.871 6.815 170 HG SER 24 HG SER 24 -0.640 -8.762 8.708 171 H PHE 25 H PHE 25 -2.931 -7.793 4.474 172 HA PHE 25 HA PHE 25 -5.382 -9.217 5.246 173 1HB PHE 25 1HB PHE 25 -6.003 -6.855 4.801 174 2HB PHE 25 2HB PHE 25 -5.160 -6.937 3.254 175 HD1 PHE 25 1HD PHE 25 -7.963 -8.557 5.192 176 HD2 PHE 25 2HD PHE 25 -6.360 -7.575 1.295 177 HE1 PHE 25 1HE PHE 25 -10.048 -9.358 4.107 178 HE2 PHE 25 2HE PHE 25 -8.459 -8.348 0.251 179 HZ PHE 25 HZ PHE 25 -10.293 -9.250 1.643 180 H VAL 26 H VAL 26 -6.168 -10.423 3.244 181 HA VAL 26 HA VAL 26 -4.102 -10.972 1.335 182 HB VAL 26 HB VAL 26 -3.843 -12.445 3.317 183 1HG1 VAL 26 1HG1 VAL 26 -5.347 -14.292 3.733 184 2HG1 VAL 26 2HG1 VAL 26 -6.216 -12.754 3.929 185 3HG1 VAL 26 3HG1 VAL 26 -6.453 -13.726 2.466 186 1HG2 VAL 26 1HG2 VAL 26 -3.200 -13.027 0.911 187 2HG2 VAL 26 2HG2 VAL 26 -3.346 -14.373 2.029 188 3HG2 VAL 26 3HG2 VAL 26 -4.652 -14.042 0.862 189 H HIS 27 H HIS 27 -5.119 -11.144 -0.744 190 HA HIS 27 HA HIS 27 -7.978 -12.042 -0.597 191 1HB HIS 27 1HB HIS 27 -8.366 -10.887 -2.688 192 2HB HIS 27 2HB HIS 27 -7.894 -9.794 -1.406 193 HD1 HIS 27 1HD HIS 27 -7.522 -8.383 -3.830 194 HD2 HIS 27 2HD HIS 27 -4.685 -11.219 -2.593 195 HE1 HIS 27 1HE HIS 27 -5.410 -7.954 -5.145 196 H GLU 28 H GLU 28 -8.390 -12.889 -3.014 197 HA GLU 28 HA GLU 28 -6.758 -15.369 -2.968 198 1HB GLU 28 1HB GLU 28 -9.215 -15.517 -2.520 199 2HB GLU 28 2HB GLU 28 -9.508 -15.062 -4.213 200 1HG GLU 28 1HG GLU 28 -8.074 -17.000 -4.932 201 2HG GLU 28 2HG GLU 28 -7.762 -17.380 -3.238 202 H GLY 29 H GLY 29 -5.198 -13.841 -4.045 203 1HA GLY 29 1HA GLY 29 -3.832 -13.565 -5.926 204 2HA GLY 29 2HA GLY 29 -4.784 -14.848 -6.693 205 H GLY 30 H GLY 30 -4.579 -13.650 -8.665 206 1HA GLY 30 1HA GLY 30 -5.626 -12.623 -10.387 207 2HA GLY 30 2HA GLY 30 -6.982 -12.371 -9.285 208 H ASP 31 H ASP 31 -4.524 -10.817 -11.079 209 HA ASP 31 HA ASP 31 -3.814 -8.681 -9.555 210 1HB ASP 31 1HB ASP 31 -3.151 -7.462 -11.463 211 2HB ASP 31 2HB ASP 31 -2.871 -9.161 -11.813 212 H VAL 32 H VAL 32 -4.435 -6.424 -9.193 213 HA VAL 32 HA VAL 32 -7.283 -6.080 -9.528 214 HB VAL 32 HB VAL 32 -6.548 -7.652 -7.469 215 1HG1 VAL 32 1HG1 VAL 32 -5.492 -5.886 -6.142 216 2HG1 VAL 32 2HG1 VAL 32 -6.990 -4.934 -6.196 217 3HG1 VAL 32 3HG1 VAL 32 -6.978 -6.471 -5.348 218 1HG2 VAL 32 1HG2 VAL 32 -8.730 -7.495 -6.592 219 2HG2 VAL 32 2HG2 VAL 32 -8.997 -5.929 -7.387 220 3HG2 VAL 32 3HG2 VAL 32 -8.791 -7.391 -8.359 221 HA PRO 33 HA PRO 33 -5.930 -1.866 -9.520 222 1HB PRO 33 1HB PRO 33 -8.648 -1.448 -8.295 223 2HB PRO 33 2HB PRO 33 -7.868 -0.523 -9.629 224 1HG PRO 33 1HG PRO 33 -9.762 -2.363 -10.161 225 2HG PRO 33 2HG PRO 33 -8.261 -2.318 -11.154 226 1HD PRO 33 1HD PRO 33 -8.935 -4.197 -8.857 227 2HD PRO 33 2HD PRO 33 -8.180 -4.552 -10.437 228 H LEU 34 H LEU 34 -4.788 -0.591 -8.019 229 HA LEU 34 HA LEU 34 -4.757 -1.263 -5.385 230 1HB LEU 34 1HB LEU 34 -3.438 0.428 -4.827 231 2HB LEU 34 2HB LEU 34 -3.049 0.005 -6.481 232 HG LEU 34 HG LEU 34 -4.530 2.451 -5.484 233 1HD1 LEU 34 1HD1 LEU 34 -2.100 2.465 -5.145 234 2HD1 LEU 34 2HD1 LEU 34 -1.846 2.055 -6.852 235 3HD1 LEU 34 3HD1 LEU 34 -2.524 3.623 -6.412 236 1HD2 LEU 34 1HD2 LEU 34 -3.961 1.570 -8.333 237 2HD2 LEU 34 2HD2 LEU 34 -5.558 1.919 -7.629 238 3HD2 LEU 34 3HD2 LEU 34 -4.392 3.232 -7.900 239 H VAL 35 H VAL 35 -7.321 0.492 -6.818 240 HA VAL 35 HA VAL 35 -8.596 1.395 -4.340 241 HB VAL 35 HB VAL 35 -9.303 2.445 -6.421 242 1HG1 VAL 35 1HG1 VAL 35 -10.715 1.390 -8.061 243 2HG1 VAL 35 2HG1 VAL 35 -9.071 0.776 -8.079 244 3HG1 VAL 35 3HG1 VAL 35 -10.394 -0.191 -7.352 245 1HG2 VAL 35 1HG2 VAL 35 -11.690 2.375 -6.061 246 2HG2 VAL 35 2HG2 VAL 35 -11.558 0.832 -5.205 247 3HG2 VAL 35 3HG2 VAL 35 -10.853 2.300 -4.496 248 H GLU 36 H GLU 36 -8.854 -1.649 -6.209 249 HA GLU 36 HA GLU 36 -10.892 -2.499 -4.340 250 1HB GLU 36 1HB GLU 36 -9.228 -3.963 -6.424 251 2HB GLU 36 2HB GLU 36 -10.494 -4.747 -5.468 252 1HG GLU 36 1HG GLU 36 -10.912 -2.423 -7.405 253 2HG GLU 36 2HG GLU 36 -11.267 -4.113 -7.732 254 H LEU 37 H LEU 37 -7.285 -2.747 -4.436 255 HA LEU 37 HA LEU 37 -7.441 -4.929 -2.465 256 1HB LEU 37 1HB LEU 37 -5.064 -4.943 -2.390 257 2HB LEU 37 2HB LEU 37 -5.579 -4.941 -4.054 258 HG LEU 37 HG LEU 37 -5.252 -2.271 -3.740 259 1HD1 LEU 37 1HD1 LEU 37 -4.368 -2.517 -1.346 260 2HD1 LEU 37 2HD1 LEU 37 -3.020 -3.453 -2.018 261 3HD1 LEU 37 3HD1 LEU 37 -3.240 -1.753 -2.472 262 1HD2 LEU 37 1HD2 LEU 37 -3.070 -4.324 -4.322 263 2HD2 LEU 37 2HD2 LEU 37 -4.230 -3.637 -5.472 264 3HD2 LEU 37 3HD2 LEU 37 -2.988 -2.606 -4.758 265 H LEU 38 H LEU 38 -7.190 -1.298 -2.498 266 HA LEU 38 HA LEU 38 -6.218 -1.529 0.154 267 1HB LEU 38 1HB LEU 38 -5.306 0.405 -0.025 268 2HB LEU 38 2HB LEU 38 -5.505 0.221 -1.714 269 HG LEU 38 HG LEU 38 -7.391 1.728 0.125 270 1HD1 LEU 38 1HD1 LEU 38 -6.264 3.776 -0.822 271 2HD1 LEU 38 2HD1 LEU 38 -5.071 2.739 -0.030 272 3HD1 LEU 38 3HD1 LEU 38 -5.207 2.735 -1.783 273 1HD2 LEU 38 1HD2 LEU 38 -8.231 2.937 -1.777 274 2HD2 LEU 38 2HD2 LEU 38 -7.243 1.943 -2.851 275 3HD2 LEU 38 3HD2 LEU 38 -8.571 1.211 -1.919 276 H VAL 39 H VAL 39 -9.235 -1.042 -1.509 277 HA VAL 39 HA VAL 39 -10.776 -0.174 0.831 278 HB VAL 39 HB VAL 39 -11.161 -1.098 -1.933 279 1HG1 VAL 39 1HG1 VAL 39 -12.895 -2.465 -0.840 280 2HG1 VAL 39 2HG1 VAL 39 -13.514 -1.039 0.017 281 3HG1 VAL 39 3HG1 VAL 39 -13.652 -1.170 -1.748 282 1HG2 VAL 39 1HG2 VAL 39 -12.288 0.844 -2.398 283 2HG2 VAL 39 2HG2 VAL 39 -12.585 1.202 -0.681 284 3HG2 VAL 39 3HG2 VAL 39 -10.929 1.267 -1.351 285 H SER 40 H SER 40 -10.116 -3.264 -0.895 286 HA SER 40 HA SER 40 -11.547 -4.961 0.819 287 1HB SER 40 1HB SER 40 -10.626 -5.365 -1.538 288 2HB SER 40 2HB SER 40 -9.066 -5.729 -0.768 289 HG SER 40 HG SER 40 -11.577 -6.975 -0.728 290 H ALA 41 H ALA 41 -8.058 -3.923 0.816 291 HA ALA 41 HA ALA 41 -7.646 -5.517 3.226 292 1HB ALA 41 1HB ALA 41 -5.365 -4.577 3.229 293 2HB ALA 41 2HB ALA 41 -5.835 -5.303 1.674 294 3HB ALA 41 3HB ALA 41 -5.796 -3.555 1.844 295 H GLY 42 H GLY 42 -8.742 -2.188 2.727 296 1HA GLY 42 1HA GLY 42 -10.207 -1.418 4.428 297 2HA GLY 42 2HA GLY 42 -9.313 -2.334 5.642 298 H ILE 43 H ILE 43 -7.748 -0.491 3.175 299 HA ILE 43 HA ILE 43 -6.358 1.297 5.013 300 HB ILE 43 HB ILE 43 -6.512 0.953 2.001 301 1HG1 ILE 43 1HG1 ILE 43 -4.355 0.061 1.872 302 2HG1 ILE 43 2HG1 ILE 43 -3.967 0.448 3.505 303 1HG2 ILE 43 1HG2 ILE 43 -4.394 2.496 2.023 304 2HG2 ILE 43 2HG2 ILE 43 -5.931 3.299 2.382 305 3HG2 ILE 43 3HG2 ILE 43 -4.812 2.866 3.691 306 1HD1 ILE 43 1HD1 ILE 43 -5.406 -1.355 4.325 307 2HD1 ILE 43 2HD1 ILE 43 -6.028 -1.598 2.672 308 3HD1 ILE 43 3HD1 ILE 43 -4.338 -1.979 3.058 309 H SER 44 H SER 44 -8.947 1.415 2.313 310 HA SER 44 HA SER 44 -10.320 3.281 4.076 311 1HB SER 44 1HB SER 44 -9.081 4.170 1.504 312 2HB SER 44 2HB SER 44 -10.765 4.637 1.817 313 HG SER 44 HG SER 44 -8.435 5.423 3.064 314 HA PRO 45 HA PRO 45 -12.840 0.169 1.910 315 1HB PRO 45 1HB PRO 45 -14.866 -0.115 3.706 316 2HB PRO 45 2HB PRO 45 -13.226 -0.789 3.990 317 1HG PRO 45 1HG PRO 45 -14.381 1.824 5.024 318 2HG PRO 45 2HG PRO 45 -13.505 0.566 5.947 319 1HD PRO 45 1HD PRO 45 -12.272 2.795 4.982 320 2HD PRO 45 2HD PRO 45 -11.430 1.216 5.084 321 H SER 46 H SER 46 -13.589 3.430 2.665 322 HA SER 46 HA SER 46 -16.316 3.349 1.516 323 1HB SER 46 1HB SER 46 -16.064 4.495 3.654 324 2HB SER 46 2HB SER 46 -14.805 5.502 2.931 325 HG SER 46 HG SER 46 -17.518 5.711 2.763 326 H LYS 47 H LYS 47 -16.083 3.337 -0.724 327 HA LYS 47 HA LYS 47 -13.736 3.821 -1.964 328 1HB LYS 47 1HB LYS 47 -16.525 3.609 -3.021 329 2HB LYS 47 2HB LYS 47 -15.207 4.008 -4.142 330 1HG LYS 47 1HG LYS 47 -13.949 2.068 -3.570 331 2HG LYS 47 2HG LYS 47 -14.969 1.707 -2.177 332 1HD LYS 47 1HD LYS 47 -16.858 1.159 -3.691 333 2HD LYS 47 2HD LYS 47 -15.802 1.468 -5.102 334 1HE LYS 47 1HE LYS 47 -14.236 -0.274 -4.347 335 2HE LYS 47 2HE LYS 47 -15.173 -0.499 -2.857 336 1HZ LYS 47 1HZ LYS 47 -16.981 -1.377 -4.164 337 2HZ LYS 47 2HZ LYS 47 -16.150 -1.120 -5.566 338 3HZ LYS 47 3HZ LYS 47 -15.591 -2.193 -4.474 339 H ARG 48 H ARG 48 -15.722 6.498 -1.029 340 HA ARG 48 HA ARG 48 -14.375 8.339 -2.895 341 1HB ARG 48 1HB ARG 48 -16.571 8.975 -2.016 342 2HB ARG 48 2HB ARG 48 -15.979 8.884 -0.360 343 1HG ARG 48 1HG ARG 48 -16.152 11.213 -1.148 344 2HG ARG 48 2HG ARG 48 -14.511 10.791 -0.692 345 1HD ARG 48 1HD ARG 48 -14.484 12.156 -2.687 346 2HD ARG 48 2HD ARG 48 -13.884 10.542 -3.078 347 HE ARG 48 HE ARG 48 -16.694 10.682 -3.562 348 1HH1 ARG 48 2HH2 ARG 48 -13.653 11.889 -4.918 349 2HH1 ARG 48 1HH2 ARG 48 -14.245 12.085 -6.524 350 1HH2 ARG 48 2HH1 ARG 48 -17.527 10.916 -5.727 351 2HH2 ARG 48 1HH1 ARG 48 -16.519 11.503 -6.987 352 H GLN 49 H GLN 49 -14.029 7.463 0.598 353 HA GLN 49 HA GLN 49 -11.719 9.074 1.070 354 1HB GLN 49 1HB GLN 49 -13.261 7.353 2.643 355 2HB GLN 49 2HB GLN 49 -11.784 6.453 2.487 356 1HG GLN 49 1HG GLN 49 -11.940 9.360 3.441 357 2HG GLN 49 2HG GLN 49 -11.966 7.967 4.502 358 1HE2 GLN 49 1HE2 GLN 49 -9.650 8.753 1.700 359 2HE2 GLN 49 2HE2 GLN 49 -8.279 8.473 2.708 360 H ALA 50 H ALA 50 -12.193 5.643 0.048 361 HA ALA 50 HA ALA 50 -9.616 4.900 -0.380 362 1HB ALA 50 1HB ALA 50 -10.403 3.295 -1.948 363 2HB ALA 50 2HB ALA 50 -11.751 3.541 -0.810 364 3HB ALA 50 3HB ALA 50 -11.763 4.272 -2.432 365 H ARG 51 H ARG 51 -11.664 6.486 -2.941 366 HA ARG 51 HA ARG 51 -9.399 6.597 -4.645 367 1HB ARG 51 1HB ARG 51 -12.092 7.969 -4.816 368 2HB ARG 51 2HB ARG 51 -10.785 8.317 -5.949 369 1HG ARG 51 1HG ARG 51 -10.601 5.678 -6.186 370 2HG ARG 51 2HG ARG 51 -12.218 5.674 -5.493 371 1HD ARG 51 1HD ARG 51 -12.340 5.562 -7.905 372 2HD ARG 51 2HD ARG 51 -12.978 7.128 -7.389 373 HE ARG 51 HE ARG 51 -10.601 7.996 -7.882 374 1HH1 ARG 51 2HH2 ARG 51 -11.796 5.195 -9.829 375 2HH1 ARG 51 1HH2 ARG 51 -10.660 5.540 -11.074 376 1HH2 ARG 51 2HH1 ARG 51 -9.364 8.458 -9.569 377 2HH2 ARG 51 1HH1 ARG 51 -9.416 7.536 -11.050 378 H GLU 52 H GLU 52 -10.242 8.880 -2.053 379 HA GLU 52 HA GLU 52 -8.011 10.567 -3.052 380 1HB GLU 52 1HB GLU 52 -9.577 11.676 -1.451 381 2HB GLU 52 2HB GLU 52 -9.314 10.366 -0.298 382 1HG GLU 52 1HG GLU 52 -6.768 11.138 -0.391 383 2HG GLU 52 2HG GLU 52 -7.341 12.597 -1.065 384 H ASP 53 H ASP 53 -8.332 7.957 -0.673 385 HA ASP 53 HA ASP 53 -5.672 8.152 0.194 386 1HB ASP 53 1HB ASP 53 -8.010 6.332 0.498 387 2HB ASP 53 2HB ASP 53 -6.511 5.484 0.510 388 H ILE 54 H ILE 54 -6.843 7.133 -2.668 389 HA ILE 54 HA ILE 54 -4.355 5.815 -3.359 390 HB ILE 54 HB ILE 54 -6.855 6.312 -5.021 391 1HG1 ILE 54 1HG1 ILE 54 -5.907 3.565 -4.122 392 2HG1 ILE 54 2HG1 ILE 54 -6.968 4.523 -3.117 393 1HG2 ILE 54 1HG2 ILE 54 -5.797 4.697 -6.657 394 2HG2 ILE 54 2HG2 ILE 54 -4.934 6.228 -6.502 395 3HG2 ILE 54 3HG2 ILE 54 -4.311 4.796 -5.680 396 1HD1 ILE 54 1HD1 ILE 54 -8.547 3.432 -4.335 397 2HD1 ILE 54 2HD1 ILE 54 -8.382 4.836 -5.359 398 3HD1 ILE 54 3HD1 ILE 54 -7.503 3.367 -5.803 399 H GLN 55 H GLN 55 -6.475 8.483 -4.723 400 HA GLN 55 HA GLN 55 -4.422 9.233 -6.517 401 1HB GLN 55 1HB GLN 55 -7.050 10.499 -5.687 402 2HB GLN 55 2HB GLN 55 -5.885 11.403 -6.601 403 1HG GLN 55 1HG GLN 55 -7.037 10.596 -8.329 404 2HG GLN 55 2HG GLN 55 -5.794 9.368 -8.226 405 1HE2 GLN 55 1HE2 GLN 55 -6.454 7.225 -7.824 406 2HE2 GLN 55 2HE2 GLN 55 -8.102 6.710 -7.652 407 H ASN 56 H ASN 56 -4.470 9.777 -3.152 408 HA ASN 56 HA ASN 56 -2.806 12.164 -3.436 409 1HB ASN 56 1HB ASN 56 -3.853 10.486 -1.085 410 2HB ASN 56 2HB ASN 56 -2.413 11.442 -0.843 411 1HD2 ASN 56 1HD2 ASN 56 -4.959 12.787 -2.905 412 2HD2 ASN 56 2HD2 ASN 56 -5.423 14.004 -1.717 413 H GLY 57 H GLY 57 -0.754 12.135 -3.789 414 1HA GLY 57 1HA GLY 57 0.830 9.772 -3.804 415 2HA GLY 57 2HA GLY 57 1.420 11.451 -3.834 416 H ALA 58 H ALA 58 -0.555 10.640 -1.172 417 HA ALA 58 HA ALA 58 1.736 10.377 0.683 418 1HB ALA 58 1HB ALA 58 -1.245 10.626 1.172 419 2HB ALA 58 2HB ALA 58 0.008 10.528 2.435 420 3HB ALA 58 3HB ALA 58 -0.050 11.932 1.355 421 H ILE 59 H ILE 59 -0.416 8.280 -1.285 422 HA ILE 59 HA ILE 59 0.223 5.923 0.427 423 HB ILE 59 HB ILE 59 -1.921 6.301 -0.078 424 1HG1 ILE 59 1HG1 ILE 59 -1.348 4.134 0.326 425 2HG1 ILE 59 2HG1 ILE 59 -2.604 4.194 -0.915 426 1HG2 ILE 59 1HG2 ILE 59 -0.979 6.738 -2.884 427 2HG2 ILE 59 2HG2 ILE 59 -2.342 5.631 -2.777 428 3HG2 ILE 59 3HG2 ILE 59 -2.482 7.238 -2.078 429 1HD1 ILE 59 1HD1 ILE 59 0.301 3.526 -1.191 430 2HD1 ILE 59 2HD1 ILE 59 -1.142 2.627 -1.749 431 3HD1 ILE 59 3HD1 ILE 59 -0.627 4.067 -2.621 432 H TYR 60 H TYR 60 2.271 6.095 0.492 433 HA TYR 60 HA TYR 60 3.944 5.736 -1.805 434 1HB TYR 60 1HB TYR 60 4.793 5.315 1.053 435 2HB TYR 60 2HB TYR 60 5.721 5.826 -0.316 436 HD1 TYR 60 1HD TYR 60 5.585 8.152 -1.181 437 HD2 TYR 60 2HD TYR 60 3.596 6.968 2.455 438 HE1 TYR 60 1HE TYR 60 5.360 10.513 -0.544 439 HE2 TYR 60 2HE TYR 60 3.397 9.325 3.120 440 HH TYR 60 HH TYR 60 4.727 11.967 1.114 441 H VAL 61 H VAL 61 3.556 3.868 -2.851 442 HA VAL 61 HA VAL 61 2.924 1.368 -1.351 443 HB VAL 61 HB VAL 61 3.365 1.687 -4.360 444 1HG1 VAL 61 1HG1 VAL 61 2.207 -0.531 -2.607 445 2HG1 VAL 61 2HG1 VAL 61 2.144 -0.519 -4.372 446 3HG1 VAL 61 3HG1 VAL 61 3.707 -0.607 -3.566 447 1HG2 VAL 61 1HG2 VAL 61 1.415 2.943 -4.020 448 2HG2 VAL 61 2HG2 VAL 61 0.723 1.305 -4.158 449 3HG2 VAL 61 3HG2 VAL 61 0.983 2.013 -2.590 450 H ASN 62 H ASN 62 4.511 0.069 -0.719 451 HA ASN 62 HA ASN 62 6.604 -0.785 -0.350 452 1HB ASN 62 1HB ASN 62 7.181 -0.010 -3.208 453 2HB ASN 62 2HB ASN 62 8.331 -0.756 -2.148 454 1HD2 ASN 62 1HD2 ASN 62 4.989 -1.811 -1.699 455 2HD2 ASN 62 2HD2 ASN 62 5.245 -3.277 -2.658 456 H GLY 63 H GLY 63 5.882 2.317 -0.195 457 1HA GLY 63 1HA GLY 63 7.040 4.068 0.907 458 2HA GLY 63 2HA GLY 63 8.582 3.268 0.603 459 H GLU 64 H GLU 64 6.418 3.437 -2.216 460 HA GLU 64 HA GLU 64 7.857 5.813 -3.182 461 1HB GLU 64 1HB GLU 64 8.493 3.470 -4.090 462 2HB GLU 64 2HB GLU 64 6.930 3.508 -4.873 463 1HG GLU 64 1HG GLU 64 8.706 4.297 -6.392 464 2HG GLU 64 2HG GLU 64 7.546 5.596 -6.054 465 H ARG 65 H ARG 65 6.474 7.443 -3.444 466 HA ARG 65 HA ARG 65 3.681 7.388 -3.125 467 1HB ARG 65 1HB ARG 65 4.932 9.450 -2.860 468 2HB ARG 65 2HB ARG 65 5.750 9.263 -4.394 469 1HG ARG 65 1HG ARG 65 2.804 9.558 -4.604 470 2HG ARG 65 2HG ARG 65 3.630 10.932 -3.870 471 1HD ARG 65 1HD ARG 65 4.211 9.809 -6.633 472 2HD ARG 65 2HD ARG 65 3.326 11.279 -6.262 473 HE ARG 65 HE ARG 65 5.791 11.613 -4.995 474 1HH1 ARG 65 2HH2 ARG 65 4.962 10.730 -8.380 475 2HH1 ARG 65 1HH2 ARG 65 6.292 11.596 -9.036 476 1HH2 ARG 65 2HH1 ARG 65 7.512 12.772 -5.911 477 2HH2 ARG 65 1HH1 ARG 65 7.855 12.540 -7.601 478 H LEU 66 H LEU 66 2.357 6.014 -4.444 479 HA LEU 66 HA LEU 66 2.757 6.305 -7.379 480 1HB LEU 66 1HB LEU 66 2.948 3.863 -5.711 481 2HB LEU 66 2HB LEU 66 2.563 3.866 -7.455 482 HG LEU 66 HG LEU 66 5.142 4.991 -6.310 483 1HD1 LEU 66 1HD1 LEU 66 4.420 2.322 -7.515 484 2HD1 LEU 66 2HD1 LEU 66 6.084 2.890 -7.181 485 3HD1 LEU 66 3HD1 LEU 66 4.939 2.655 -5.843 486 1HD2 LEU 66 1HD2 LEU 66 4.382 4.294 -9.169 487 2HD2 LEU 66 2HD2 LEU 66 4.578 5.943 -8.532 488 3HD2 LEU 66 3HD2 LEU 66 5.961 4.855 -8.602 489 H GLN 67 H GLN 67 0.915 7.668 -6.751 490 HA GLN 67 HA GLN 67 -1.476 6.508 -5.581 491 1HB GLN 67 1HB GLN 67 -2.381 8.879 -6.160 492 2HB GLN 67 2HB GLN 67 -1.216 8.668 -4.903 493 1HG GLN 67 1HG GLN 67 -1.244 10.690 -6.481 494 2HG GLN 67 2HG GLN 67 0.215 10.059 -5.799 495 1HE2 GLN 67 1HE2 GLN 67 -1.571 8.762 -8.650 496 2HE2 GLN 67 2HE2 GLN 67 -0.253 8.993 -9.781 497 H ASP 68 H ASP 68 -0.872 4.944 -7.884 498 HA ASP 68 HA ASP 68 -3.035 5.655 -9.760 499 1HB ASP 68 1HB ASP 68 -0.920 6.806 -10.359 500 2HB ASP 68 2HB ASP 68 -0.144 5.245 -10.561 501 H VAL 69 H VAL 69 -3.615 4.124 -11.256 502 HA VAL 69 HA VAL 69 -3.400 1.275 -10.416 503 HB VAL 69 HB VAL 69 -5.511 2.637 -10.799 504 1HG1 VAL 69 1HG1 VAL 69 -4.946 2.357 -13.757 505 2HG1 VAL 69 2HG1 VAL 69 -6.391 3.031 -12.991 506 3HG1 VAL 69 3HG1 VAL 69 -4.851 3.875 -12.835 507 1HG2 VAL 69 1HG2 VAL 69 -5.506 0.158 -10.757 508 2HG2 VAL 69 2HG2 VAL 69 -6.784 0.830 -11.784 509 3HG2 VAL 69 3HG2 VAL 69 -5.322 0.158 -12.526 510 H GLY 70 H GLY 70 -2.443 3.360 -13.052 511 1HA GLY 70 1HA GLY 70 -1.311 1.218 -14.628 512 2HA GLY 70 2HA GLY 70 -0.781 2.914 -14.676 513 H ALA 71 H ALA 71 -0.433 2.874 -11.838 514 HA ALA 71 HA ALA 71 2.388 2.055 -11.826 515 1HB ALA 71 1HB ALA 71 2.557 2.996 -9.589 516 2HB ALA 71 2HB ALA 71 1.921 4.153 -10.768 517 3HB ALA 71 3HB ALA 71 0.828 3.386 -9.596 518 H ILE 72 H ILE 72 -0.412 1.111 -9.519 519 HA ILE 72 HA ILE 72 0.892 -1.535 -9.504 520 HB ILE 72 HB ILE 72 -0.356 -0.369 -7.062 521 1HG1 ILE 72 1HG1 ILE 72 2.324 -0.157 -6.592 522 2HG1 ILE 72 2HG1 ILE 72 2.337 0.344 -8.221 523 1HG2 ILE 72 1HG2 ILE 72 0.116 -2.804 -7.104 524 2HG2 ILE 72 2HG2 ILE 72 1.790 -2.489 -7.595 525 3HG2 ILE 72 3HG2 ILE 72 1.205 -2.019 -5.982 526 1HD1 ILE 72 1HD1 ILE 72 0.992 2.298 -7.688 527 2HD1 ILE 72 2HD1 ILE 72 0.359 1.580 -6.220 528 3HD1 ILE 72 3HD1 ILE 72 2.037 2.061 -6.278 529 H LEU 73 H LEU 73 -0.391 -3.342 -9.502 530 HA LEU 73 HA LEU 73 -3.231 -3.050 -9.032 531 1HB LEU 73 1HB LEU 73 -1.883 -5.009 -10.885 532 2HB LEU 73 2HB LEU 73 -3.571 -5.038 -10.405 533 HG LEU 73 HG LEU 73 -2.259 -2.691 -11.841 534 1HD1 LEU 73 1HD1 LEU 73 -2.432 -4.697 -13.297 535 2HD1 LEU 73 2HD1 LEU 73 -4.168 -4.780 -12.928 536 3HD1 LEU 73 3HD1 LEU 73 -3.505 -3.396 -13.820 537 1HD2 LEU 73 1HD2 LEU 73 -4.565 -1.961 -12.318 538 2HD2 LEU 73 2HD2 LEU 73 -5.160 -3.189 -11.186 539 3HD2 LEU 73 3HD2 LEU 73 -4.104 -1.847 -10.625 540 H THR 74 H THR 74 -1.200 -6.049 -9.125 541 HA THR 74 HA THR 74 -1.670 -6.303 -6.241 542 HB THR 74 HB THR 74 -1.190 -8.813 -7.165 543 HG1 THR 74 1HG THR 74 -0.932 -8.615 -9.254 544 1HG2 THR 74 1HG2 THR 74 -3.213 -8.006 -6.007 545 2HG2 THR 74 2HG2 THR 74 -3.766 -7.226 -7.476 546 3HG2 THR 74 3HG2 THR 74 -3.642 -9.008 -7.394 547 H ALA 75 H ALA 75 -0.119 -8.256 -5.395 548 HA ALA 75 HA ALA 75 2.324 -7.018 -4.863 549 1HB ALA 75 1HB ALA 75 1.370 -8.771 -3.410 550 2HB ALA 75 2HB ALA 75 1.481 -9.959 -4.722 551 3HB ALA 75 3HB ALA 75 2.956 -9.339 -3.993 552 H GLU 76 H GLU 76 1.779 -9.511 -7.438 553 HA GLU 76 HA GLU 76 4.635 -9.341 -8.078 554 1HB GLU 76 1HB GLU 76 3.611 -11.464 -8.162 555 2HB GLU 76 2HB GLU 76 2.328 -10.970 -9.198 556 1HG GLU 76 1HG GLU 76 5.245 -10.859 -10.048 557 2HG GLU 76 2HG GLU 76 4.369 -12.385 -10.016 558 H HIS 77 H HIS 77 2.084 -7.271 -8.570 559 HA HIS 77 HA HIS 77 3.148 -6.183 -11.111 560 1HB HIS 77 1HB HIS 77 0.682 -6.340 -10.481 561 2HB HIS 77 2HB HIS 77 1.008 -5.062 -9.321 562 HD1 HIS 77 1HD HIS 77 2.268 -2.796 -10.521 563 HD2 HIS 77 2HD HIS 77 -0.337 -5.344 -12.584 564 HE1 HIS 77 1HE HIS 77 0.819 -1.310 -11.977 565 H ARG 78 H ARG 78 3.982 -6.198 -7.721 566 HA ARG 78 HA ARG 78 5.367 -3.611 -8.198 567 1HB ARG 78 1HB ARG 78 3.345 -3.739 -6.495 568 2HB ARG 78 2HB ARG 78 4.518 -4.437 -5.435 569 1HG ARG 78 1HG ARG 78 4.066 -1.659 -6.213 570 2HG ARG 78 2HG ARG 78 4.834 -2.328 -4.806 571 1HD ARG 78 1HD ARG 78 6.477 -0.968 -5.712 572 2HD ARG 78 2HD ARG 78 6.974 -2.561 -6.241 573 HE ARG 78 HE ARG 78 5.421 -0.646 -7.978 574 1HH1 ARG 78 2HH2 ARG 78 8.166 -2.940 -7.838 575 2HH1 ARG 78 1HH2 ARG 78 8.992 -2.166 -9.148 576 1HH2 ARG 78 2HH1 ARG 78 6.277 -0.068 -9.966 577 2HH2 ARG 78 1HH1 ARG 78 7.671 -0.892 -10.597 578 H LEU 79 H LEU 79 5.596 -6.464 -5.875 579 HA LEU 79 HA LEU 79 8.474 -6.182 -5.983 580 1HB LEU 79 1HB LEU 79 7.434 -8.370 -4.373 581 2HB LEU 79 2HB LEU 79 8.379 -6.948 -3.958 582 HG LEU 79 HG LEU 79 5.377 -7.146 -3.982 583 1HD1 LEU 79 1HD1 LEU 79 7.551 -6.942 -1.779 584 2HD1 LEU 79 2HD1 LEU 79 5.844 -6.841 -1.431 585 3HD1 LEU 79 3HD1 LEU 79 6.526 -8.360 -2.082 586 1HD2 LEU 79 1HD2 LEU 79 5.163 -5.029 -3.159 587 2HD2 LEU 79 2HD2 LEU 79 6.838 -4.911 -2.583 588 3HD2 LEU 79 3HD2 LEU 79 6.486 -4.752 -4.291 589 H GLU 80 H GLU 80 9.335 -8.691 -5.668 590 HA GLU 80 HA GLU 80 9.325 -10.082 -8.082 591 1HB GLU 80 1HB GLU 80 10.428 -11.811 -6.837 592 2HB GLU 80 2HB GLU 80 10.877 -10.288 -6.073 593 1HG GLU 80 1HG GLU 80 8.911 -10.717 -4.433 594 2HG GLU 80 2HG GLU 80 8.886 -12.354 -5.092 595 H GLY 81 H GLY 81 6.768 -9.877 -5.808 596 1HA GLY 81 1HA GLY 81 4.597 -10.643 -6.289 597 2HA GLY 81 2HA GLY 81 5.309 -12.083 -7.033 598 H ARG 82 H ARG 82 4.870 -10.401 -3.904 599 HA ARG 82 HA ARG 82 4.386 -13.019 -2.628 600 1HB ARG 82 1HB ARG 82 6.611 -11.195 -1.615 601 2HB ARG 82 2HB ARG 82 5.930 -12.592 -0.763 602 1HG ARG 82 1HG ARG 82 6.655 -14.078 -2.613 603 2HG ARG 82 2HG ARG 82 7.445 -12.697 -3.386 604 1HD ARG 82 1HD ARG 82 8.931 -12.397 -1.482 605 2HD ARG 82 2HD ARG 82 8.084 -13.655 -0.577 606 HE ARG 82 HE ARG 82 9.986 -14.004 -2.805 607 1HH1 ARG 82 2HH2 ARG 82 7.598 -15.612 -0.668 608 2HH1 ARG 82 1HH2 ARG 82 8.298 -17.178 -0.880 609 1HH2 ARG 82 2HH1 ARG 82 10.913 -16.098 -2.986 610 2HH2 ARG 82 1HH1 ARG 82 10.195 -17.452 -2.171 611 H PHE 83 H PHE 83 4.888 -9.555 -1.750 612 HA PHE 83 HA PHE 83 2.272 -9.445 -0.384 613 1HB PHE 83 1HB PHE 83 4.959 -8.563 0.774 614 2HB PHE 83 2HB PHE 83 3.397 -8.214 1.477 615 HD1 PHE 83 1HD PHE 83 2.336 -9.745 3.000 616 HD2 PHE 83 2HD PHE 83 5.744 -10.981 0.690 617 HE1 PHE 83 1HE PHE 83 2.657 -11.668 4.501 618 HE2 PHE 83 2HE PHE 83 5.839 -13.103 2.011 619 HZ PHE 83 HZ PHE 83 4.423 -13.368 3.989 620 H THR 84 H THR 84 2.273 -6.784 0.335 621 HA THR 84 HA THR 84 4.025 -5.100 -1.240 622 HB THR 84 HB THR 84 1.093 -5.385 -1.905 623 HG1 THR 84 1HG THR 84 2.946 -6.210 -3.090 624 1HG2 THR 84 1HG2 THR 84 1.258 -2.975 -1.370 625 2HG2 THR 84 2HG2 THR 84 2.736 -2.847 -2.351 626 3HG2 THR 84 3HG2 THR 84 1.175 -3.214 -3.117 627 H VAL 85 H VAL 85 4.488 -3.371 0.077 628 HA VAL 85 HA VAL 85 2.975 -2.820 2.549 629 HB VAL 85 HB VAL 85 5.562 -1.895 1.262 630 1HG1 VAL 85 1HG1 VAL 85 6.062 -0.453 3.173 631 2HG1 VAL 85 2HG1 VAL 85 4.703 0.159 2.238 632 3HG1 VAL 85 3HG1 VAL 85 4.412 -0.673 3.789 633 1HG2 VAL 85 1HG2 VAL 85 6.573 -2.798 3.303 634 2HG2 VAL 85 2HG2 VAL 85 4.976 -3.182 3.956 635 3HG2 VAL 85 3HG2 VAL 85 5.557 -4.022 2.513 636 H ILE 86 H ILE 86 1.601 -1.018 2.749 637 HA ILE 86 HA ILE 86 1.397 0.917 0.508 638 HB ILE 86 HB ILE 86 -0.709 -0.585 2.117 639 1HG1 ILE 86 1HG1 ILE 86 0.120 -1.694 -0.002 640 2HG1 ILE 86 2HG1 ILE 86 -1.604 -1.335 -0.049 641 1HG2 ILE 86 1HG2 ILE 86 -2.410 0.809 0.713 642 2HG2 ILE 86 2HG2 ILE 86 -1.646 1.594 2.083 643 3HG2 ILE 86 3HG2 ILE 86 -1.048 1.921 0.464 644 1HD1 ILE 86 1HD1 ILE 86 0.424 0.553 -1.245 645 2HD1 ILE 86 2HD1 ILE 86 -0.321 -0.752 -2.177 646 3HD1 ILE 86 3HD1 ILE 86 -1.328 0.529 -1.489 647 H ARG 87 H ARG 87 2.326 2.730 1.462 648 HA ARG 87 HA ARG 87 1.722 3.110 4.353 649 1HB ARG 87 1HB ARG 87 3.851 4.578 2.753 650 2HB ARG 87 2HB ARG 87 3.674 4.521 4.477 651 1HG ARG 87 1HG ARG 87 4.009 1.855 3.886 652 2HG ARG 87 2HG ARG 87 4.936 2.585 2.578 653 1HD ARG 87 1HD ARG 87 5.307 3.090 5.554 654 2HD ARG 87 2HD ARG 87 6.264 1.969 4.573 655 HE ARG 87 HE ARG 87 6.670 4.356 3.307 656 1HH1 ARG 87 2HH2 ARG 87 7.028 3.222 6.652 657 2HH1 ARG 87 1HH2 ARG 87 8.551 3.994 6.898 658 1HH2 ARG 87 2HH1 ARG 87 8.655 5.516 3.689 659 2HH2 ARG 87 1HH1 ARG 87 9.396 5.447 5.253 660 H ARG 88 H ARG 88 -0.381 4.203 4.308 661 HA ARG 88 HA ARG 88 -0.619 6.477 2.481 662 1HB ARG 88 1HB ARG 88 -2.575 4.958 2.641 663 2HB ARG 88 2HB ARG 88 -2.538 5.088 4.380 664 1HG ARG 88 1HG ARG 88 -4.317 6.488 3.556 665 2HG ARG 88 2HG ARG 88 -3.077 7.450 4.324 666 1HD ARG 88 1HD ARG 88 -2.342 7.499 1.621 667 2HD ARG 88 2HD ARG 88 -4.092 7.563 1.564 668 HE ARG 88 HE ARG 88 -2.349 9.417 3.156 669 1HH1 ARG 88 2HH2 ARG 88 -5.525 9.179 1.694 670 2HH1 ARG 88 1HH2 ARG 88 -5.645 10.887 1.410 671 1HH2 ARG 88 2HH1 ARG 88 -2.635 11.621 2.967 672 2HH2 ARG 88 1HH1 ARG 88 -3.880 12.253 1.892 673 H GLY 89 H GLY 89 0.259 8.346 3.293 674 1HA GLY 89 1HA GLY 89 0.563 8.939 6.115 675 2HA GLY 89 2HA GLY 89 0.655 10.101 4.778 676 H LYS 90 H LYS 90 -1.251 8.780 7.200 677 HA LYS 90 HA LYS 90 -3.371 9.920 7.987 678 1HB LYS 90 1HB LYS 90 -4.159 9.149 5.157 679 2HB LYS 90 2HB LYS 90 -5.324 9.033 6.454 680 1HG LYS 90 1HG LYS 90 -5.213 11.416 6.917 681 2HG LYS 90 2HG LYS 90 -3.896 11.614 5.763 682 1HD LYS 90 1HD LYS 90 -5.596 12.222 4.371 683 2HD LYS 90 2HD LYS 90 -5.640 10.486 4.081 684 1HE LYS 90 1HE LYS 90 -7.480 10.333 5.836 685 2HE LYS 90 2HE LYS 90 -7.497 12.111 5.823 686 1HZ LYS 90 1HZ LYS 90 -8.208 10.275 3.624 687 2HZ LYS 90 2HZ LYS 90 -9.092 11.513 4.219 688 3HZ LYS 90 3HZ LYS 90 -7.795 11.795 3.282 689 H LYS 91 H LYS 91 -3.477 8.392 9.534 690 HA LYS 91 HA LYS 91 -3.272 6.534 10.643 691 1HB LYS 91 1HB LYS 91 -4.200 4.402 10.099 692 2HB LYS 91 2HB LYS 91 -5.344 5.712 10.182 693 1HG LYS 91 1HG LYS 91 -4.321 4.697 7.512 694 2HG LYS 91 2HG LYS 91 -5.602 3.878 8.393 695 1HD LYS 91 1HD LYS 91 -7.126 5.579 8.230 696 2HD LYS 91 2HD LYS 91 -5.922 6.832 7.908 697 1HE LYS 91 1HE LYS 91 -5.513 6.077 5.681 698 2HE LYS 91 2HE LYS 91 -6.283 4.520 5.980 699 1HZ LYS 91 1HZ LYS 91 -7.804 7.058 5.792 700 2HZ LYS 91 2HZ LYS 91 -7.591 5.933 4.637 701 3HZ LYS 91 3HZ LYS 91 -8.401 5.521 5.998 702 H LYS 92 H LYS 92 -2.567 4.000 8.473 703 HA LYS 92 HA LYS 92 0.298 4.716 8.771 704 1HB LYS 92 1HB LYS 92 -0.918 3.476 10.821 705 2HB LYS 92 2HB LYS 92 -0.696 2.077 9.824 706 1HG LYS 92 1HG LYS 92 1.278 2.007 11.043 707 2HG LYS 92 2HG LYS 92 1.841 2.973 9.688 708 1HD LYS 92 1HD LYS 92 2.622 4.190 11.519 709 2HD LYS 92 2HD LYS 92 1.132 5.041 11.103 710 1HE LYS 92 1HE LYS 92 1.061 4.799 13.468 711 2HE LYS 92 2HE LYS 92 -0.051 3.569 12.851 712 1HZ LYS 92 1HZ LYS 92 1.394 2.622 14.546 713 2HZ LYS 92 2HZ LYS 92 1.721 1.917 13.140 714 3HZ LYS 92 3HZ LYS 92 2.755 3.029 13.722 715 H TYR 93 H TYR 93 0.726 1.705 8.529 716 HA TYR 93 HA TYR 93 1.032 1.812 5.625 717 1HB TYR 93 1HB TYR 93 2.937 0.579 7.540 718 2HB TYR 93 2HB TYR 93 3.202 0.974 5.848 719 HD1 TYR 93 1HD TYR 93 2.062 4.011 6.234 720 HD2 TYR 93 2HD TYR 93 4.883 1.565 8.415 721 HE1 TYR 93 1HE TYR 93 3.101 6.011 7.109 722 HE2 TYR 93 2HE TYR 93 5.976 3.585 9.254 723 HH TYR 93 HH TYR 93 5.687 5.900 9.589 724 H TYR 94 H TYR 94 -0.656 0.325 5.016 725 HA TYR 94 HA TYR 94 -1.053 -2.045 6.740 726 1HB TYR 94 1HB TYR 94 -2.501 -0.802 4.407 727 2HB TYR 94 2HB TYR 94 -2.941 -2.304 5.122 728 HD1 TYR 94 1HD TYR 94 -3.414 -2.365 7.713 729 HD2 TYR 94 2HD TYR 94 -3.511 1.232 5.344 730 HE1 TYR 94 1HE TYR 94 -4.845 -1.255 9.403 731 HE2 TYR 94 2HE TYR 94 -4.969 2.302 6.937 732 HH TYR 94 HH TYR 94 -5.762 0.840 10.105 733 H LEU 95 H LEU 95 -1.366 -4.047 5.461 734 HA LEU 95 HA LEU 95 0.884 -4.336 3.518 735 1HB LEU 95 1HB LEU 95 1.330 -4.641 6.008 736 2HB LEU 95 2HB LEU 95 0.327 -6.078 5.907 737 HG LEU 95 HG LEU 95 3.028 -5.501 4.658 738 1HD1 LEU 95 1HD1 LEU 95 2.874 -6.223 7.062 739 2HD1 LEU 95 2HD1 LEU 95 2.087 -7.726 6.541 740 3HD1 LEU 95 3HD1 LEU 95 3.746 -7.381 6.063 741 1HD2 LEU 95 1HD2 LEU 95 1.229 -7.889 4.085 742 2HD2 LEU 95 2HD2 LEU 95 1.943 -6.736 2.912 743 3HD2 LEU 95 3HD2 LEU 95 2.986 -7.836 3.800 744 H ILE 96 H ILE 96 0.382 -5.649 1.931 745 HA ILE 96 HA ILE 96 -2.229 -7.159 1.995 746 HB ILE 96 HB ILE 96 -1.133 -5.402 -0.235 747 1HG1 ILE 96 1HG1 ILE 96 -3.497 -4.370 0.036 748 2HG1 ILE 96 2HG1 ILE 96 -3.568 -5.217 1.574 749 1HG2 ILE 96 1HG2 ILE 96 -2.153 -7.422 -1.216 750 2HG2 ILE 96 2HG2 ILE 96 -3.615 -7.180 -0.236 751 3HG2 ILE 96 3HG2 ILE 96 -3.165 -6.019 -1.505 752 1HD1 ILE 96 1HD1 ILE 96 -2.833 -2.674 1.350 753 2HD1 ILE 96 2HD1 ILE 96 -2.150 -3.717 2.585 754 3HD1 ILE 96 3HD1 ILE 96 -1.227 -3.405 1.095 755 H ARG 97 H ARG 97 -2.034 -9.261 1.458 756 HA ARG 97 HA ARG 97 -0.056 -10.002 -0.603 757 1HB ARG 97 1HB ARG 97 0.040 -12.173 0.607 758 2HB ARG 97 2HB ARG 97 0.873 -10.843 1.377 759 1HG ARG 97 1HG ARG 97 -0.882 -10.707 3.093 760 2HG ARG 97 2HG ARG 97 -1.856 -11.888 2.211 761 1HD ARG 97 1HD ARG 97 0.259 -13.438 2.468 762 2HD ARG 97 2HD ARG 97 0.719 -12.318 3.743 763 HE ARG 97 HE ARG 97 -1.317 -14.373 3.749 764 1HH1 ARG 97 2HH2 ARG 97 -0.336 -11.416 5.486 765 2HH1 ARG 97 1HH2 ARG 97 -1.125 -11.892 6.953 766 1HH2 ARG 97 2HH1 ARG 97 -1.990 -15.125 5.769 767 2HH2 ARG 97 1HH1 ARG 97 -1.913 -14.127 7.164 768 H TYR 98 H TYR 98 -0.689 -12.359 -1.429 769 HA TYR 98 HA TYR 98 -3.563 -12.651 -1.585 770 1HB TYR 98 1HB TYR 98 -2.829 -13.999 -3.707 771 2HB TYR 98 2HB TYR 98 -3.242 -12.300 -3.808 772 HD1 TYR 98 1HD TYR 98 -0.015 -14.039 -2.817 773 HD2 TYR 98 2HD TYR 98 -2.068 -11.466 -5.624 774 HE1 TYR 98 1HE TYR 98 2.078 -13.765 -4.087 775 HE2 TYR 98 2HE TYR 98 0.028 -11.211 -6.908 776 HH TYR 98 HH TYR 98 2.786 -13.142 -6.448 777 H ALA 99 H ALA 99 -4.218 -14.819 -1.701 778 HA ALA 99 HA ALA 99 -2.960 -16.709 -0.004 779 1HB ALA 99 1HB ALA 99 -5.066 -17.133 -2.174 780 2HB ALA 99 2HB ALA 99 -4.673 -18.253 -0.854 781 3HB ALA 99 3HB ALA 99 -5.385 -16.668 -0.489 Start of MODEL 11 1 1H ALA 1 1H ALA 1 16.313 -16.057 -0.642 2 2H ALA 1 2H ALA 1 16.431 -16.214 1.004 3 3H ALA 1 3H ALA 1 15.616 -17.344 0.120 4 HA ALA 1 HA ALA 1 14.030 -16.078 1.174 5 1HB ALA 1 1HB ALA 1 15.367 -14.104 1.687 6 2HB ALA 1 2HB ALA 1 15.434 -13.655 -0.028 7 3HB ALA 1 3HB ALA 1 13.881 -13.636 0.840 8 H LEU 2 H LEU 2 13.982 -13.866 -1.510 9 HA LEU 2 HA LEU 2 13.641 -15.898 -3.486 10 1HB LEU 2 1HB LEU 2 11.299 -15.465 -2.675 11 2HB LEU 2 2HB LEU 2 11.467 -13.792 -3.198 12 HG LEU 2 HG LEU 2 12.218 -15.719 -5.314 13 1HD1 LEU 2 1HD1 LEU 2 10.571 -17.166 -4.259 14 2HD1 LEU 2 2HD1 LEU 2 9.363 -15.856 -4.283 15 3HD1 LEU 2 3HD1 LEU 2 9.965 -16.555 -5.801 16 1HD2 LEU 2 1HD2 LEU 2 10.735 -14.358 -6.671 17 2HD2 LEU 2 2HD2 LEU 2 9.993 -13.652 -5.226 18 3HD2 LEU 2 3HD2 LEU 2 11.679 -13.267 -5.646 19 H PHE 3 H PHE 3 13.791 -14.755 -5.640 20 HA PHE 3 HA PHE 3 16.028 -12.960 -5.651 21 1HB PHE 3 1HB PHE 3 15.713 -13.306 -8.171 22 2HB PHE 3 2HB PHE 3 16.065 -14.694 -7.173 23 HD1 PHE 3 1HD PHE 3 13.364 -13.071 -9.196 24 HD2 PHE 3 2HD PHE 3 14.553 -16.538 -6.911 25 HE1 PHE 3 1HE PHE 3 11.315 -14.249 -9.899 26 HE2 PHE 3 2HE PHE 3 12.499 -17.700 -7.609 27 HZ PHE 3 HZ PHE 3 10.834 -16.544 -9.054 28 H SER 4 H SER 4 14.553 -11.366 -4.376 29 HA SER 4 HA SER 4 12.621 -9.729 -5.361 30 1HB SER 4 1HB SER 4 15.079 -8.969 -3.735 31 2HB SER 4 2HB SER 4 13.554 -8.070 -3.787 32 HG SER 4 HG SER 4 12.529 -10.089 -3.119 33 H GLY 5 H GLY 5 12.528 -8.977 -7.418 34 1HA GLY 5 1HA GLY 5 14.748 -8.207 -9.000 35 2HA GLY 5 2HA GLY 5 13.046 -7.883 -9.345 36 H ASP 6 H ASP 6 12.032 -6.084 -8.162 37 HA ASP 6 HA ASP 6 13.676 -3.670 -8.422 38 1HB ASP 6 1HB ASP 6 10.769 -4.363 -8.109 39 2HB ASP 6 2HB ASP 6 11.262 -2.846 -7.388 40 H ILE 7 H ILE 7 11.702 -5.089 -5.862 41 HA ILE 7 HA ILE 7 12.646 -3.056 -4.045 42 HB ILE 7 HB ILE 7 10.983 -4.107 -2.494 43 1HG1 ILE 7 1HG1 ILE 7 9.399 -5.646 -3.210 44 2HG1 ILE 7 2HG1 ILE 7 9.896 -5.516 -4.922 45 1HG2 ILE 7 1HG2 ILE 7 10.497 -2.138 -3.826 46 2HG2 ILE 7 2HG2 ILE 7 9.983 -3.144 -5.191 47 3HG2 ILE 7 3HG2 ILE 7 9.062 -3.166 -3.669 48 1HD1 ILE 7 1HD1 ILE 7 11.241 -7.148 -2.763 49 2HD1 ILE 7 2HD1 ILE 7 10.319 -7.731 -4.137 50 3HD1 ILE 7 3HD1 ILE 7 11.850 -6.930 -4.437 51 H ALA 8 H ALA 8 14.723 -4.149 -4.471 52 HA ALA 8 HA ALA 8 15.324 -6.727 -3.269 53 1HB ALA 8 1HB ALA 8 17.568 -6.505 -4.056 54 2HB ALA 8 2HB ALA 8 16.488 -5.916 -5.318 55 3HB ALA 8 3HB ALA 8 17.379 -4.753 -4.307 56 H ASN 9 H ASN 9 15.031 -3.717 -1.836 57 HA ASN 9 HA ASN 9 16.660 -4.282 0.517 58 1HB ASN 9 1HB ASN 9 14.400 -2.336 -0.140 59 2HB ASN 9 2HB ASN 9 15.141 -2.448 1.431 60 1HD2 ASN 9 1HD2 ASN 9 15.026 -0.430 -1.020 61 2HD2 ASN 9 2HD2 ASN 9 16.684 0.099 -1.157 62 H LEU 10 H LEU 10 13.422 -4.768 -0.718 63 HA LEU 10 HA LEU 10 12.252 -5.361 1.932 64 1HB LEU 10 1HB LEU 10 11.087 -5.404 -0.862 65 2HB LEU 10 2HB LEU 10 10.207 -5.749 0.576 66 HG LEU 10 HG LEU 10 9.864 -3.533 -0.467 67 1HD1 LEU 10 1HD1 LEU 10 9.059 -4.056 1.783 68 2HD1 LEU 10 2HD1 LEU 10 10.617 -3.570 2.482 69 3HD1 LEU 10 3HD1 LEU 10 9.570 -2.368 1.697 70 1HD2 LEU 10 1HD2 LEU 10 11.219 -1.627 0.028 71 2HD2 LEU 10 2HD2 LEU 10 12.381 -2.619 0.917 72 3HD2 LEU 10 3HD2 LEU 10 12.195 -2.808 -0.852 73 H THR 11 H THR 11 13.567 -7.319 2.398 74 HA THR 11 HA THR 11 12.999 -9.723 0.900 75 HB THR 11 HB THR 11 13.937 -9.692 3.709 76 HG1 THR 11 1HG THR 11 15.719 -8.612 3.318 77 1HG2 THR 11 1HG2 THR 11 13.846 -11.794 2.449 78 2HG2 THR 11 2HG2 THR 11 14.921 -11.095 1.207 79 3HG2 THR 11 3HG2 THR 11 15.505 -11.365 2.862 80 H ALA 12 H ALA 12 11.967 -11.444 2.160 81 HA ALA 12 HA ALA 12 9.189 -10.724 2.826 82 1HB ALA 12 1HB ALA 12 8.856 -13.162 3.190 83 2HB ALA 12 2HB ALA 12 9.605 -12.792 1.634 84 3HB ALA 12 3HB ALA 12 10.600 -13.431 2.970 85 H ALA 13 H ALA 13 11.929 -11.844 4.788 86 HA ALA 13 HA ALA 13 10.426 -11.766 7.284 87 1HB ALA 13 1HB ALA 13 12.637 -11.796 8.326 88 2HB ALA 13 2HB ALA 13 12.539 -13.039 7.067 89 3HB ALA 13 3HB ALA 13 13.418 -11.527 6.758 90 H GLU 14 H GLU 14 12.051 -9.391 5.197 91 HA GLU 14 HA GLU 14 12.274 -7.415 7.263 92 1HB GLU 14 1HB GLU 14 13.640 -7.960 4.959 93 2HB GLU 14 2HB GLU 14 12.477 -6.874 4.275 94 1HG GLU 14 1HG GLU 14 14.619 -5.761 5.020 95 2HG GLU 14 2HG GLU 14 13.172 -5.078 5.776 96 H ILE 15 H ILE 15 10.084 -8.184 4.571 97 HA ILE 15 HA ILE 15 8.261 -6.075 5.062 98 HB ILE 15 HB ILE 15 8.401 -8.676 3.483 99 1HG1 ILE 15 1HG1 ILE 15 8.008 -5.765 2.869 100 2HG1 ILE 15 2HG1 ILE 15 9.400 -6.743 2.620 101 1HG2 ILE 15 1HG2 ILE 15 5.700 -7.401 3.813 102 2HG2 ILE 15 2HG2 ILE 15 6.179 -8.708 2.742 103 3HG2 ILE 15 3HG2 ILE 15 6.204 -8.958 4.471 104 1HD1 ILE 15 1HD1 ILE 15 8.171 -6.375 0.512 105 2HD1 ILE 15 2HD1 ILE 15 8.231 -8.101 0.931 106 3HD1 ILE 15 3HD1 ILE 15 6.742 -7.141 1.187 107 H GLU 16 H GLU 16 8.183 -9.519 6.204 108 HA GLU 16 HA GLU 16 5.978 -9.091 7.859 109 1HB GLU 16 1HB GLU 16 8.152 -11.052 7.757 110 2HB GLU 16 2HB GLU 16 7.586 -10.800 9.397 111 1HG GLU 16 1HG GLU 16 5.747 -11.447 7.069 112 2HG GLU 16 2HG GLU 16 6.401 -12.642 8.190 113 H GLN 17 H GLN 17 9.419 -8.419 8.879 114 HA GLN 17 HA GLN 17 8.394 -7.502 11.493 115 1HB GLN 17 1HB GLN 17 11.263 -7.671 10.492 116 2HB GLN 17 2HB GLN 17 10.717 -7.319 12.139 117 1HG GLN 17 1HG GLN 17 10.529 -9.964 10.668 118 2HG GLN 17 2HG GLN 17 11.408 -9.595 12.151 119 1HE2 GLN 17 1HE2 GLN 17 8.619 -11.005 10.995 120 2HE2 GLN 17 2HE2 GLN 17 7.489 -10.696 12.296 121 H GLY 18 H GLY 18 9.101 -6.184 8.392 122 1HA GLY 18 1HA GLY 18 9.580 -3.495 9.126 123 2HA GLY 18 2HA GLY 18 8.870 -4.107 7.619 124 H PHE 19 H PHE 19 6.792 -5.574 8.416 125 HA PHE 19 HA PHE 19 4.938 -3.373 9.028 126 1HB PHE 19 1HB PHE 19 4.490 -6.008 7.666 127 2HB PHE 19 2HB PHE 19 3.414 -4.627 7.671 128 HD1 PHE 19 1HD PHE 19 4.785 -6.137 5.315 129 HD2 PHE 19 2HD PHE 19 5.794 -2.461 7.308 130 HE1 PHE 19 1HE PHE 19 6.058 -5.370 3.344 131 HE2 PHE 19 2HE PHE 19 7.192 -1.799 5.447 132 HZ PHE 19 HZ PHE 19 7.424 -3.280 3.462 133 H LYS 20 H LYS 20 6.028 -5.880 10.840 134 HA LYS 20 HA LYS 20 3.940 -6.814 12.318 135 1HB LYS 20 1HB LYS 20 5.527 -7.024 14.173 136 2HB LYS 20 2HB LYS 20 6.390 -7.278 12.661 137 1HG LYS 20 1HG LYS 20 7.157 -4.907 12.701 138 2HG LYS 20 2HG LYS 20 6.330 -4.642 14.224 139 1HD LYS 20 1HD LYS 20 8.550 -6.697 13.876 140 2HD LYS 20 2HD LYS 20 8.786 -5.018 14.394 141 1HE LYS 20 1HE LYS 20 7.133 -5.401 16.243 142 2HE LYS 20 2HE LYS 20 7.101 -7.120 15.831 143 1HZ LYS 20 1HZ LYS 20 8.642 -6.350 17.652 144 2HZ LYS 20 2HZ LYS 20 9.326 -7.333 16.523 145 3HZ LYS 20 3HZ LYS 20 9.628 -5.729 16.498 146 H ASP 21 H ASP 21 4.307 -3.607 11.935 147 HA ASP 21 HA ASP 21 3.487 -2.633 14.592 148 1HB ASP 21 1HB ASP 21 5.129 -1.449 13.054 149 2HB ASP 21 2HB ASP 21 3.765 -1.070 11.994 150 H VAL 22 H VAL 22 1.852 -3.719 11.685 151 HA VAL 22 HA VAL 22 -0.765 -3.105 12.779 152 HB VAL 22 HB VAL 22 0.032 -1.097 11.682 153 1HG1 VAL 22 1HG1 VAL 22 0.655 -0.872 9.436 154 2HG1 VAL 22 2HG1 VAL 22 1.582 -2.236 10.021 155 3HG1 VAL 22 3HG1 VAL 22 0.141 -2.531 9.028 156 1HG2 VAL 22 1HG2 VAL 22 -1.693 -0.402 10.308 157 2HG2 VAL 22 2HG2 VAL 22 -2.107 -2.041 9.829 158 3HG2 VAL 22 3HG2 VAL 22 -2.380 -1.469 11.523 159 HA PRO 23 HA PRO 23 -1.251 -6.943 10.633 160 1HB PRO 23 1HB PRO 23 -3.922 -7.259 10.268 161 2HB PRO 23 2HB PRO 23 -3.176 -7.124 11.889 162 1HG PRO 23 1HG PRO 23 -4.540 -4.981 10.264 163 2HG PRO 23 2HG PRO 23 -4.745 -5.359 12.001 164 1HD PRO 23 1HD PRO 23 -3.146 -3.401 10.979 165 2HD PRO 23 2HD PRO 23 -2.794 -4.106 12.565 166 H SER 24 H SER 24 -2.503 -8.037 8.722 167 HA SER 24 HA SER 24 -1.818 -6.511 6.252 168 1HB SER 24 1HB SER 24 -1.904 -9.494 6.324 169 2HB SER 24 2HB SER 24 -0.833 -8.428 5.423 170 HG SER 24 HG SER 24 0.118 -8.014 7.679 171 H PHE 25 H PHE 25 -2.992 -7.580 4.237 172 HA PHE 25 HA PHE 25 -5.546 -8.909 4.921 173 1HB PHE 25 1HB PHE 25 -6.089 -6.634 4.391 174 2HB PHE 25 2HB PHE 25 -4.912 -6.590 3.083 175 HD1 PHE 25 1HD PHE 25 -8.220 -8.082 4.046 176 HD2 PHE 25 2HD PHE 25 -5.403 -7.260 0.874 177 HE1 PHE 25 1HE PHE 25 -9.903 -8.752 2.357 178 HE2 PHE 25 2HE PHE 25 -7.092 -7.899 -0.803 179 HZ PHE 25 HZ PHE 25 -9.339 -8.657 -0.066 180 H VAL 26 H VAL 26 -6.265 -10.213 3.046 181 HA VAL 26 HA VAL 26 -4.191 -11.052 1.147 182 HB VAL 26 HB VAL 26 -5.496 -12.665 3.322 183 1HG1 VAL 26 1HG1 VAL 26 -6.050 -13.966 1.324 184 2HG1 VAL 26 2HG1 VAL 26 -4.389 -13.800 0.738 185 3HG1 VAL 26 3HG1 VAL 26 -4.733 -14.753 2.199 186 1HG2 VAL 26 1HG2 VAL 26 -2.698 -12.812 2.173 187 2HG2 VAL 26 2HG2 VAL 26 -3.125 -11.701 3.497 188 3HG2 VAL 26 3HG2 VAL 26 -3.285 -13.435 3.722 189 H HIS 27 H HIS 27 -5.200 -11.020 -0.916 190 HA HIS 27 HA HIS 27 -7.979 -12.157 -0.900 191 1HB HIS 27 1HB HIS 27 -8.476 -10.913 -2.912 192 2HB HIS 27 2HB HIS 27 -8.096 -9.883 -1.563 193 HD1 HIS 27 1HD HIS 27 -7.899 -8.440 -4.124 194 HD2 HIS 27 2HD HIS 27 -4.733 -10.807 -2.655 195 HE1 HIS 27 1HE HIS 27 -5.715 -7.463 -5.000 196 H GLU 28 H GLU 28 -8.233 -12.643 -3.564 197 HA GLU 28 HA GLU 28 -7.206 -15.295 -3.368 198 1HB GLU 28 1HB GLU 28 -9.503 -13.984 -4.512 199 2HB GLU 28 2HB GLU 28 -8.718 -14.832 -5.828 200 1HG GLU 28 1HG GLU 28 -10.215 -16.396 -4.976 201 2HG GLU 28 2HG GLU 28 -8.680 -16.904 -4.274 202 H GLY 29 H GLY 29 -5.628 -12.925 -4.614 203 1HA GLY 29 1HA GLY 29 -3.869 -12.643 -6.171 204 2HA GLY 29 2HA GLY 29 -3.837 -14.397 -6.383 205 H GLY 30 H GLY 30 -3.354 -13.111 -8.668 206 1HA GLY 30 1HA GLY 30 -4.106 -12.771 -10.834 207 2HA GLY 30 2HA GLY 30 -5.790 -13.034 -10.334 208 H ASP 31 H ASP 31 -4.146 -10.678 -11.699 209 HA ASP 31 HA ASP 31 -3.797 -8.726 -9.799 210 1HB ASP 31 1HB ASP 31 -3.219 -7.205 -11.477 211 2HB ASP 31 2HB ASP 31 -2.626 -8.798 -11.921 212 H VAL 32 H VAL 32 -4.646 -6.589 -9.366 213 HA VAL 32 HA VAL 32 -7.498 -6.191 -9.627 214 HB VAL 32 HB VAL 32 -6.201 -7.386 -7.215 215 1HG1 VAL 32 1HG1 VAL 32 -7.359 -5.357 -6.297 216 2HG1 VAL 32 2HG1 VAL 32 -8.892 -6.009 -6.940 217 3HG1 VAL 32 3HG1 VAL 32 -8.005 -6.869 -5.696 218 1HG2 VAL 32 1HG2 VAL 32 -8.905 -7.984 -8.475 219 2HG2 VAL 32 2HG2 VAL 32 -7.431 -8.951 -8.607 220 3HG2 VAL 32 3HG2 VAL 32 -8.225 -8.815 -7.051 221 HA PRO 33 HA PRO 33 -5.568 -2.383 -9.043 222 1HB PRO 33 1HB PRO 33 -7.625 -0.633 -8.738 223 2HB PRO 33 2HB PRO 33 -7.385 -1.551 -10.259 224 1HG PRO 33 1HG PRO 33 -9.207 -2.221 -7.958 225 2HG PRO 33 2HG PRO 33 -9.617 -2.193 -9.705 226 1HD PRO 33 1HD PRO 33 -8.954 -4.504 -8.384 227 2HD PRO 33 2HD PRO 33 -8.491 -4.243 -10.078 228 H LEU 34 H LEU 34 -4.610 -1.130 -7.604 229 HA LEU 34 HA LEU 34 -4.610 -1.599 -4.912 230 1HB LEU 34 1HB LEU 34 -3.330 0.185 -4.573 231 2HB LEU 34 2HB LEU 34 -2.927 -0.463 -6.146 232 HG LEU 34 HG LEU 34 -4.331 2.076 -5.468 233 1HD1 LEU 34 1HD1 LEU 34 -2.463 3.184 -6.542 234 2HD1 LEU 34 2HD1 LEU 34 -1.879 2.076 -5.298 235 3HD1 LEU 34 3HD1 LEU 34 -1.787 1.621 -7.016 236 1HD2 LEU 34 1HD2 LEU 34 -4.441 2.656 -7.874 237 2HD2 LEU 34 2HD2 LEU 34 -3.956 0.998 -8.255 238 3HD2 LEU 34 3HD2 LEU 34 -5.513 1.319 -7.465 239 H VAL 35 H VAL 35 -7.012 0.375 -6.611 240 HA VAL 35 HA VAL 35 -8.190 1.356 -4.125 241 HB VAL 35 HB VAL 35 -8.001 2.838 -5.891 242 1HG1 VAL 35 1HG1 VAL 35 -7.995 1.480 -7.889 243 2HG1 VAL 35 2HG1 VAL 35 -9.673 0.953 -7.602 244 3HG1 VAL 35 3HG1 VAL 35 -9.308 2.637 -8.033 245 1HG2 VAL 35 1HG2 VAL 35 -10.960 2.265 -5.659 246 2HG2 VAL 35 2HG2 VAL 35 -9.970 3.128 -4.457 247 3HG2 VAL 35 3HG2 VAL 35 -10.175 3.795 -6.086 248 H GLU 36 H GLU 36 -8.554 -1.654 -5.645 249 HA GLU 36 HA GLU 36 -11.114 -1.996 -4.130 250 1HB GLU 36 1HB GLU 36 -9.706 -3.782 -6.148 251 2HB GLU 36 2HB GLU 36 -11.000 -4.336 -5.091 252 1HG GLU 36 1HG GLU 36 -11.216 -2.144 -7.189 253 2HG GLU 36 2HG GLU 36 -11.902 -3.759 -7.281 254 H LEU 37 H LEU 37 -7.550 -2.796 -4.175 255 HA LEU 37 HA LEU 37 -8.121 -4.862 -2.151 256 1HB LEU 37 1HB LEU 37 -5.834 -5.455 -2.226 257 2HB LEU 37 2HB LEU 37 -6.603 -5.518 -3.800 258 HG LEU 37 HG LEU 37 -5.492 -3.370 -4.402 259 1HD1 LEU 37 1HD1 LEU 37 -4.173 -3.727 -1.704 260 2HD1 LEU 37 2HD1 LEU 37 -3.352 -2.865 -3.028 261 3HD1 LEU 37 3HD1 LEU 37 -4.878 -2.265 -2.408 262 1HD2 LEU 37 1HD2 LEU 37 -3.913 -5.868 -3.721 263 2HD2 LEU 37 2HD2 LEU 37 -4.582 -5.346 -5.278 264 3HD2 LEU 37 3HD2 LEU 37 -3.194 -4.503 -4.601 265 H LEU 38 H LEU 38 -7.380 -1.362 -2.197 266 HA LEU 38 HA LEU 38 -6.467 -1.585 0.418 267 1HB LEU 38 1HB LEU 38 -5.885 0.565 0.265 268 2HB LEU 38 2HB LEU 38 -6.158 0.368 -1.418 269 HG LEU 38 HG LEU 38 -8.251 1.432 0.525 270 1HD1 LEU 38 1HD1 LEU 38 -5.976 2.806 -0.642 271 2HD1 LEU 38 2HD1 LEU 38 -7.524 3.614 -0.969 272 3HD1 LEU 38 3HD1 LEU 38 -7.073 3.254 0.680 273 1HD2 LEU 38 1HD2 LEU 38 -8.555 0.544 -2.136 274 2HD2 LEU 38 2HD2 LEU 38 -9.719 1.324 -1.074 275 3HD2 LEU 38 3HD2 LEU 38 -8.741 2.300 -2.159 276 H VAL 39 H VAL 39 -9.504 -1.465 -1.194 277 HA VAL 39 HA VAL 39 -11.117 -0.310 0.912 278 HB VAL 39 HB VAL 39 -11.148 -0.776 -1.856 279 1HG1 VAL 39 1HG1 VAL 39 -12.397 -2.921 -1.663 280 2HG1 VAL 39 2HG1 VAL 39 -13.648 -2.101 -0.709 281 3HG1 VAL 39 3HG1 VAL 39 -13.365 -1.671 -2.410 282 1HG2 VAL 39 1HG2 VAL 39 -13.486 0.353 -0.329 283 2HG2 VAL 39 2HG2 VAL 39 -11.995 1.227 -0.747 284 3HG2 VAL 39 3HG2 VAL 39 -13.045 0.644 -2.025 285 H SER 40 H SER 40 -10.480 -3.424 -0.522 286 HA SER 40 HA SER 40 -11.944 -4.961 1.369 287 1HB SER 40 1HB SER 40 -10.900 -5.477 -1.088 288 2HB SER 40 2HB SER 40 -9.702 -6.261 -0.071 289 HG SER 40 HG SER 40 -11.871 -7.096 0.994 290 H ALA 41 H ALA 41 -8.418 -3.931 1.105 291 HA ALA 41 HA ALA 41 -7.848 -5.399 3.539 292 1HB ALA 41 1HB ALA 41 -6.134 -5.064 1.853 293 2HB ALA 41 2HB ALA 41 -6.224 -3.342 2.021 294 3HB ALA 41 3HB ALA 41 -5.623 -4.315 3.381 295 H GLY 42 H GLY 42 -9.036 -2.115 3.004 296 1HA GLY 42 1HA GLY 42 -10.412 -1.192 4.687 297 2HA GLY 42 2HA GLY 42 -9.584 -2.136 5.920 298 H ILE 43 H ILE 43 -7.978 -0.351 3.364 299 HA ILE 43 HA ILE 43 -6.523 1.447 5.150 300 HB ILE 43 HB ILE 43 -6.771 0.985 2.192 301 1HG1 ILE 43 1HG1 ILE 43 -4.473 0.231 2.032 302 2HG1 ILE 43 2HG1 ILE 43 -4.153 0.558 3.705 303 1HG2 ILE 43 1HG2 ILE 43 -4.854 2.602 1.847 304 2HG2 ILE 43 2HG2 ILE 43 -6.196 3.422 2.650 305 3HG2 ILE 43 3HG2 ILE 43 -4.794 2.888 3.600 306 1HD1 ILE 43 1HD1 ILE 43 -5.668 -1.255 4.376 307 2HD1 ILE 43 2HD1 ILE 43 -6.204 -1.408 2.702 308 3HD1 ILE 43 3HD1 ILE 43 -4.532 -1.846 3.155 309 H SER 44 H SER 44 -9.241 1.531 2.638 310 HA SER 44 HA SER 44 -10.740 3.275 4.340 311 1HB SER 44 1HB SER 44 -9.374 4.462 1.969 312 2HB SER 44 2HB SER 44 -11.111 4.784 2.143 313 HG SER 44 HG SER 44 -9.255 6.025 3.320 314 HA PRO 45 HA PRO 45 -13.224 0.493 1.860 315 1HB PRO 45 1HB PRO 45 -15.456 0.357 3.366 316 2HB PRO 45 2HB PRO 45 -13.896 -0.306 3.965 317 1HG PRO 45 1HG PRO 45 -15.183 2.355 4.628 318 2HG PRO 45 2HG PRO 45 -14.427 1.180 5.746 319 1HD PRO 45 1HD PRO 45 -13.147 3.414 4.643 320 2HD PRO 45 2HD PRO 45 -12.295 1.957 5.248 321 H SER 46 H SER 46 -13.803 3.832 2.465 322 HA SER 46 HA SER 46 -16.511 3.922 1.455 323 1HB SER 46 1HB SER 46 -14.510 5.877 2.510 324 2HB SER 46 2HB SER 46 -16.211 6.243 2.243 325 HG SER 46 HG SER 46 -16.725 4.806 3.892 326 H LYS 47 H LYS 47 -16.403 3.565 -0.853 327 HA LYS 47 HA LYS 47 -14.239 3.778 -2.314 328 1HB LYS 47 1HB LYS 47 -17.060 3.598 -3.027 329 2HB LYS 47 2HB LYS 47 -16.093 4.329 -4.315 330 1HG LYS 47 1HG LYS 47 -14.497 2.474 -4.257 331 2HG LYS 47 2HG LYS 47 -15.367 1.716 -2.908 332 1HD LYS 47 1HD LYS 47 -17.292 1.252 -4.304 333 2HD LYS 47 2HD LYS 47 -16.673 2.286 -5.596 334 1HE LYS 47 1HE LYS 47 -16.320 0.026 -6.269 335 2HE LYS 47 2HE LYS 47 -14.751 0.759 -5.940 336 1HZ LYS 47 1HZ LYS 47 -14.839 -0.418 -3.755 337 2HZ LYS 47 2HZ LYS 47 -16.196 -1.210 -4.278 338 3HZ LYS 47 3HZ LYS 47 -14.759 -1.378 -5.066 339 H ARG 48 H ARG 48 -16.067 6.867 -1.939 340 HA ARG 48 HA ARG 48 -14.228 8.221 -3.794 341 1HB ARG 48 1HB ARG 48 -16.251 9.347 -3.464 342 2HB ARG 48 2HB ARG 48 -16.103 9.300 -1.710 343 1HG ARG 48 1HG ARG 48 -15.715 11.520 -2.732 344 2HG ARG 48 2HG ARG 48 -14.442 10.957 -1.659 345 1HD ARG 48 1HD ARG 48 -13.713 12.300 -3.659 346 2HD ARG 48 2HD ARG 48 -12.859 10.808 -3.391 347 HE ARG 48 HE ARG 48 -15.088 10.554 -5.241 348 1HH1 ARG 48 2HH2 ARG 48 -11.668 11.742 -5.092 349 2HH1 ARG 48 1HH2 ARG 48 -11.266 11.103 -6.618 350 1HH2 ARG 48 2HH1 ARG 48 -14.521 9.965 -7.450 351 2HH2 ARG 48 1HH1 ARG 48 -12.879 10.195 -7.976 352 H GLN 49 H GLN 49 -14.140 7.532 -0.220 353 HA GLN 49 HA GLN 49 -11.843 9.199 0.201 354 1HB GLN 49 1HB GLN 49 -13.479 8.027 1.973 355 2HB GLN 49 2HB GLN 49 -12.486 6.611 1.721 356 1HG GLN 49 1HG GLN 49 -11.731 7.924 3.685 357 2HG GLN 49 2HG GLN 49 -10.491 7.723 2.448 358 1HE2 GLN 49 1HE2 GLN 49 -9.232 9.580 2.144 359 2HE2 GLN 49 2HE2 GLN 49 -9.928 11.190 2.251 360 H ALA 50 H ALA 50 -12.421 5.773 -0.350 361 HA ALA 50 HA ALA 50 -9.875 4.803 -0.432 362 1HB ALA 50 1HB ALA 50 -11.956 3.443 -0.688 363 2HB ALA 50 2HB ALA 50 -12.134 4.045 -2.355 364 3HB ALA 50 3HB ALA 50 -10.782 3.035 -1.964 365 H ARG 51 H ARG 51 -11.680 6.054 -3.293 366 HA ARG 51 HA ARG 51 -9.566 5.925 -5.131 367 1HB ARG 51 1HB ARG 51 -12.079 7.590 -4.958 368 2HB ARG 51 2HB ARG 51 -10.818 8.101 -6.081 369 1HG ARG 51 1HG ARG 51 -10.791 5.869 -7.133 370 2HG ARG 51 2HG ARG 51 -12.133 5.356 -6.075 371 1HD ARG 51 1HD ARG 51 -13.605 7.006 -7.041 372 2HD ARG 51 2HD ARG 51 -12.263 7.798 -7.874 373 HE ARG 51 HE ARG 51 -13.174 5.022 -8.484 374 1HH1 ARG 51 2HH2 ARG 51 -11.929 8.189 -9.741 375 2HH1 ARG 51 1HH2 ARG 51 -12.108 7.660 -11.388 376 1HH2 ARG 51 2HH1 ARG 51 -13.385 4.488 -10.774 377 2HH2 ARG 51 1HH1 ARG 51 -12.906 5.688 -11.943 378 H GLU 52 H GLU 52 -10.293 8.576 -2.858 379 HA GLU 52 HA GLU 52 -8.055 10.002 -4.109 380 1HB GLU 52 1HB GLU 52 -10.306 10.926 -2.983 381 2HB GLU 52 2HB GLU 52 -9.258 11.084 -1.584 382 1HG GLU 52 1HG GLU 52 -7.916 12.719 -2.581 383 2HG GLU 52 2HG GLU 52 -8.073 12.085 -4.185 384 H ASP 53 H ASP 53 -8.478 7.963 -1.302 385 HA ASP 53 HA ASP 53 -6.018 8.477 -0.025 386 1HB ASP 53 1HB ASP 53 -8.134 6.322 -0.089 387 2HB ASP 53 2HB ASP 53 -6.609 6.020 0.614 388 H ILE 54 H ILE 54 -6.974 6.767 -2.887 389 HA ILE 54 HA ILE 54 -4.221 5.955 -3.244 390 HB ILE 54 HB ILE 54 -6.822 4.866 -4.022 391 1HG1 ILE 54 1HG1 ILE 54 -4.069 3.584 -3.823 392 2HG1 ILE 54 2HG1 ILE 54 -4.973 4.096 -2.381 393 1HG2 ILE 54 1HG2 ILE 54 -6.082 3.644 -6.041 394 2HG2 ILE 54 2HG2 ILE 54 -6.195 5.375 -6.296 395 3HG2 ILE 54 3HG2 ILE 54 -4.605 4.575 -6.079 396 1HD1 ILE 54 1HD1 ILE 54 -6.809 2.707 -2.920 397 2HD1 ILE 54 2HD1 ILE 54 -6.092 2.231 -4.416 398 3HD1 ILE 54 3HD1 ILE 54 -5.304 1.735 -2.898 399 H GLN 55 H GLN 55 -6.272 8.439 -4.540 400 HA GLN 55 HA GLN 55 -4.343 8.889 -6.700 401 1HB GLN 55 1HB GLN 55 -6.892 10.259 -5.785 402 2HB GLN 55 2HB GLN 55 -5.837 10.909 -7.029 403 1HG GLN 55 1HG GLN 55 -5.939 8.828 -8.289 404 2HG GLN 55 2HG GLN 55 -6.982 8.090 -7.105 405 1HE2 GLN 55 1HE2 GLN 55 -6.768 10.469 -9.706 406 2HE2 GLN 55 2HE2 GLN 55 -8.505 10.707 -9.914 407 H ASN 56 H ASN 56 -4.510 9.603 -3.363 408 HA ASN 56 HA ASN 56 -2.973 12.018 -3.721 409 1HB ASN 56 1HB ASN 56 -3.943 10.445 -1.303 410 2HB ASN 56 2HB ASN 56 -2.498 11.382 -1.071 411 1HD2 ASN 56 1HD2 ASN 56 -5.894 11.713 -2.008 412 2HD2 ASN 56 2HD2 ASN 56 -6.043 13.406 -1.592 413 H GLY 57 H GLY 57 -0.856 12.267 -3.614 414 1HA GLY 57 1HA GLY 57 0.953 10.070 -3.765 415 2HA GLY 57 2HA GLY 57 1.377 11.783 -3.564 416 H ALA 58 H ALA 58 -0.766 10.564 -1.138 417 HA ALA 58 HA ALA 58 1.339 10.539 0.935 418 1HB ALA 58 1HB ALA 58 -0.616 10.305 2.485 419 2HB ALA 58 2HB ALA 58 -0.721 11.763 1.473 420 3HB ALA 58 3HB ALA 58 -1.698 10.337 1.095 421 H ILE 59 H ILE 59 -0.231 8.290 -1.183 422 HA ILE 59 HA ILE 59 0.289 5.927 0.623 423 HB ILE 59 HB ILE 59 -1.843 6.255 0.151 424 1HG1 ILE 59 1HG1 ILE 59 -1.264 4.093 0.495 425 2HG1 ILE 59 2HG1 ILE 59 -2.559 4.183 -0.700 426 1HG2 ILE 59 1HG2 ILE 59 -2.327 7.292 -1.887 427 2HG2 ILE 59 2HG2 ILE 59 -0.918 6.598 -2.720 428 3HG2 ILE 59 3HG2 ILE 59 -2.374 5.643 -2.515 429 1HD1 ILE 59 1HD1 ILE 59 -1.159 2.593 -1.616 430 2HD1 ILE 59 2HD1 ILE 59 -0.628 4.027 -2.477 431 3HD1 ILE 59 3HD1 ILE 59 0.317 3.449 -1.074 432 H TYR 60 H TYR 60 2.317 6.147 0.723 433 HA TYR 60 HA TYR 60 4.047 5.836 -1.536 434 1HB TYR 60 1HB TYR 60 4.942 5.452 1.306 435 2HB TYR 60 2HB TYR 60 5.786 6.129 -0.046 436 HD1 TYR 60 1HD TYR 60 5.229 8.486 -0.859 437 HD2 TYR 60 2HD TYR 60 3.661 6.870 2.822 438 HE1 TYR 60 1HE TYR 60 4.781 10.759 -0.044 439 HE2 TYR 60 2HE TYR 60 3.220 9.118 3.645 440 HH TYR 60 HH TYR 60 3.750 11.381 3.296 441 H VAL 61 H VAL 61 3.865 3.925 -2.540 442 HA VAL 61 HA VAL 61 3.101 1.534 -1.042 443 HB VAL 61 HB VAL 61 3.559 1.887 -4.041 444 1HG1 VAL 61 1HG1 VAL 61 2.019 -0.332 -2.656 445 2HG1 VAL 61 2HG1 VAL 61 2.491 -0.241 -4.355 446 3HG1 VAL 61 3HG1 VAL 61 3.708 -0.529 -3.096 447 1HG2 VAL 61 1HG2 VAL 61 1.074 1.918 -2.335 448 2HG2 VAL 61 2HG2 VAL 61 1.633 3.226 -3.412 449 3HG2 VAL 61 3HG2 VAL 61 0.982 1.716 -4.047 450 H ASN 62 H ASN 62 4.775 -0.109 -0.787 451 HA ASN 62 HA ASN 62 6.928 -0.916 -0.612 452 1HB ASN 62 1HB ASN 62 8.286 -0.984 -2.584 453 2HB ASN 62 2HB ASN 62 6.605 -1.533 -2.755 454 1HD2 ASN 62 1HD2 ASN 62 5.145 -0.364 -4.041 455 2HD2 ASN 62 2HD2 ASN 62 5.718 0.627 -5.338 456 H GLY 63 H GLY 63 6.429 1.911 -0.159 457 1HA GLY 63 1HA GLY 63 7.669 3.274 1.504 458 2HA GLY 63 2HA GLY 63 9.166 2.781 0.711 459 H GLU 64 H GLU 64 6.686 3.627 -1.646 460 HA GLU 64 HA GLU 64 7.825 6.300 -2.016 461 1HB GLU 64 1HB GLU 64 9.367 4.608 -2.881 462 2HB GLU 64 2HB GLU 64 8.048 3.887 -3.803 463 1HG GLU 64 1HG GLU 64 9.533 5.260 -5.152 464 2HG GLU 64 2HG GLU 64 7.854 5.820 -5.185 465 H ARG 65 H ARG 65 6.465 7.637 -3.176 466 HA ARG 65 HA ARG 65 3.658 7.345 -2.931 467 1HB ARG 65 1HB ARG 65 4.721 9.458 -2.770 468 2HB ARG 65 2HB ARG 65 5.627 9.221 -4.255 469 1HG ARG 65 1HG ARG 65 2.692 9.268 -4.647 470 2HG ARG 65 2HG ARG 65 3.379 10.740 -3.929 471 1HD ARG 65 1HD ARG 65 5.112 10.746 -5.788 472 2HD ARG 65 2HD ARG 65 4.168 9.471 -6.568 473 HE ARG 65 HE ARG 65 2.713 11.908 -5.849 474 1HH1 ARG 65 2HH2 ARG 65 4.670 10.317 -8.410 475 2HH1 ARG 65 1HH2 ARG 65 3.893 11.200 -9.677 476 1HH2 ARG 65 2HH1 ARG 65 1.578 12.815 -7.559 477 2HH2 ARG 65 1HH1 ARG 65 2.152 12.648 -9.219 478 H LEU 66 H LEU 66 2.542 5.718 -4.169 479 HA LEU 66 HA LEU 66 2.888 6.054 -7.117 480 1HB LEU 66 1HB LEU 66 3.051 3.557 -5.531 481 2HB LEU 66 2HB LEU 66 2.685 3.610 -7.272 482 HG LEU 66 HG LEU 66 5.248 4.724 -6.083 483 1HD1 LEU 66 1HD1 LEU 66 6.255 2.694 -6.944 484 2HD1 LEU 66 2HD1 LEU 66 5.054 2.390 -5.677 485 3HD1 LEU 66 3HD1 LEU 66 4.634 2.075 -7.398 486 1HD2 LEU 66 1HD2 LEU 66 4.683 5.721 -8.282 487 2HD2 LEU 66 2HD2 LEU 66 6.047 4.623 -8.420 488 3HD2 LEU 66 3HD2 LEU 66 4.444 4.098 -8.972 489 H GLN 67 H GLN 67 1.026 7.419 -6.571 490 HA GLN 67 HA GLN 67 -1.458 6.252 -5.635 491 1HB GLN 67 1HB GLN 67 -2.272 8.540 -5.623 492 2HB GLN 67 2HB GLN 67 -0.708 8.473 -4.912 493 1HG GLN 67 1HG GLN 67 -1.703 9.865 -7.307 494 2HG GLN 67 2HG GLN 67 -0.594 10.394 -6.056 495 1HE2 GLN 67 1HE2 GLN 67 -0.863 8.782 -9.147 496 2HE2 GLN 67 2HE2 GLN 67 0.849 8.527 -9.438 497 H ASP 68 H ASP 68 -0.888 4.787 -7.936 498 HA ASP 68 HA ASP 68 -3.133 5.664 -9.641 499 1HB ASP 68 1HB ASP 68 -0.770 6.582 -10.329 500 2HB ASP 68 2HB ASP 68 -0.545 4.960 -10.971 501 H VAL 69 H VAL 69 -4.094 4.122 -10.883 502 HA VAL 69 HA VAL 69 -3.906 1.251 -10.363 503 HB VAL 69 HB VAL 69 -5.309 2.654 -12.482 504 1HG1 VAL 69 1HG1 VAL 69 -6.973 0.800 -12.245 505 2HG1 VAL 69 2HG1 VAL 69 -5.365 0.257 -12.730 506 3HG1 VAL 69 3HG1 VAL 69 -5.896 0.067 -11.041 507 1HG2 VAL 69 1HG2 VAL 69 -7.352 2.731 -11.007 508 2HG2 VAL 69 2HG2 VAL 69 -6.314 2.277 -9.642 509 3HG2 VAL 69 3HG2 VAL 69 -6.080 3.821 -10.494 510 H GLY 70 H GLY 70 -2.626 3.510 -12.746 511 1HA GLY 70 1HA GLY 70 -1.448 1.393 -14.381 512 2HA GLY 70 2HA GLY 70 -1.280 3.155 -14.565 513 H ALA 71 H ALA 71 -0.768 2.581 -11.396 514 HA ALA 71 HA ALA 71 2.147 2.142 -11.675 515 1HB ALA 71 1HB ALA 71 1.733 4.157 -10.406 516 2HB ALA 71 2HB ALA 71 0.693 3.285 -9.269 517 3HB ALA 71 3HB ALA 71 2.416 2.881 -9.391 518 H ILE 72 H ILE 72 -0.591 1.098 -9.391 519 HA ILE 72 HA ILE 72 0.660 -1.576 -9.475 520 HB ILE 72 HB ILE 72 -0.516 -0.367 -7.023 521 1HG1 ILE 72 1HG1 ILE 72 2.292 -0.497 -6.774 522 2HG1 ILE 72 2HG1 ILE 72 2.141 0.218 -8.295 523 1HG2 ILE 72 1HG2 ILE 72 -0.309 -2.772 -6.939 524 2HG2 ILE 72 2HG2 ILE 72 1.351 -2.715 -7.551 525 3HG2 ILE 72 3HG2 ILE 72 0.947 -2.088 -5.933 526 1HD1 ILE 72 1HD1 ILE 72 1.053 2.167 -7.389 527 2HD1 ILE 72 2HD1 ILE 72 0.483 1.313 -5.979 528 3HD1 ILE 72 3HD1 ILE 72 2.198 1.695 -6.115 529 H LEU 73 H LEU 73 -0.691 -3.385 -9.582 530 HA LEU 73 HA LEU 73 -3.518 -3.093 -8.956 531 1HB LEU 73 1HB LEU 73 -2.241 -4.989 -10.891 532 2HB LEU 73 2HB LEU 73 -3.908 -5.013 -10.359 533 HG LEU 73 HG LEU 73 -2.637 -2.668 -11.857 534 1HD1 LEU 73 1HD1 LEU 73 -3.001 -4.771 -13.229 535 2HD1 LEU 73 2HD1 LEU 73 -4.695 -4.755 -12.704 536 3HD1 LEU 73 3HD1 LEU 73 -4.082 -3.450 -13.716 537 1HD2 LEU 73 1HD2 LEU 73 -4.901 -1.902 -12.253 538 2HD2 LEU 73 2HD2 LEU 73 -5.509 -3.080 -11.082 539 3HD2 LEU 73 3HD2 LEU 73 -4.377 -1.752 -10.591 540 H THR 74 H THR 74 -1.684 -6.146 -9.181 541 HA THR 74 HA THR 74 -2.055 -6.447 -6.307 542 HB THR 74 HB THR 74 -1.327 -8.873 -7.136 543 HG1 THR 74 1HG THR 74 -1.691 -9.236 -9.247 544 1HG2 THR 74 1HG2 THR 74 -3.934 -7.471 -7.741 545 2HG2 THR 74 2HG2 THR 74 -3.724 -9.246 -7.678 546 3HG2 THR 74 3HG2 THR 74 -3.480 -8.254 -6.236 547 H ALA 75 H ALA 75 -0.305 -8.350 -5.672 548 HA ALA 75 HA ALA 75 2.049 -6.968 -4.982 549 1HB ALA 75 1HB ALA 75 1.172 -8.838 -3.626 550 2HB ALA 75 2HB ALA 75 1.278 -9.931 -5.018 551 3HB ALA 75 3HB ALA 75 2.753 -9.311 -4.305 552 H GLU 76 H GLU 76 1.619 -9.535 -7.511 553 HA GLU 76 HA GLU 76 4.355 -9.190 -8.338 554 1HB GLU 76 1HB GLU 76 3.644 -10.480 -10.337 555 2HB GLU 76 2HB GLU 76 3.297 -11.265 -8.807 556 1HG GLU 76 1HG GLU 76 0.930 -10.538 -8.964 557 2HG GLU 76 2HG GLU 76 1.273 -9.793 -10.526 558 H HIS 77 H HIS 77 1.671 -7.182 -8.710 559 HA HIS 77 HA HIS 77 2.658 -5.911 -11.207 560 1HB HIS 77 1HB HIS 77 0.220 -6.289 -10.656 561 2HB HIS 77 2HB HIS 77 0.409 -5.048 -9.425 562 HD1 HIS 77 1HD HIS 77 1.696 -2.699 -10.604 563 HD2 HIS 77 2HD HIS 77 -0.828 -5.229 -12.761 564 HE1 HIS 77 1HE HIS 77 0.340 -1.193 -12.067 565 H ARG 78 H ARG 78 3.511 -6.016 -7.899 566 HA ARG 78 HA ARG 78 4.813 -3.372 -8.258 567 1HB ARG 78 1HB ARG 78 3.129 -3.495 -6.332 568 2HB ARG 78 2HB ARG 78 4.230 -4.608 -5.555 569 1HG ARG 78 1HG ARG 78 4.498 -1.657 -6.058 570 2HG ARG 78 2HG ARG 78 4.661 -2.561 -4.587 571 1HD ARG 78 1HD ARG 78 6.958 -1.950 -5.119 572 2HD ARG 78 2HD ARG 78 6.830 -3.603 -5.551 573 HE ARG 78 HE ARG 78 6.598 -2.928 -7.901 574 1HH1 ARG 78 2HH2 ARG 78 8.321 -0.413 -5.915 575 2HH1 ARG 78 1HH2 ARG 78 9.428 -0.192 -7.208 576 1HH2 ARG 78 2HH1 ARG 78 7.970 -2.455 -9.468 577 2HH2 ARG 78 1HH1 ARG 78 9.361 -1.474 -9.143 578 H LEU 79 H LEU 79 5.341 -6.181 -6.030 579 HA LEU 79 HA LEU 79 8.154 -6.060 -6.703 580 1HB LEU 79 1HB LEU 79 8.209 -7.228 -4.491 581 2HB LEU 79 2HB LEU 79 7.736 -5.529 -4.556 582 HG LEU 79 HG LEU 79 5.328 -6.900 -4.337 583 1HD1 LEU 79 1HD1 LEU 79 7.595 -7.960 -2.496 584 2HD1 LEU 79 2HD1 LEU 79 5.904 -8.081 -2.067 585 3HD1 LEU 79 3HD1 LEU 79 6.507 -8.934 -3.516 586 1HD2 LEU 79 1HD2 LEU 79 5.412 -5.842 -2.019 587 2HD2 LEU 79 2HD2 LEU 79 7.121 -5.467 -2.269 588 3HD2 LEU 79 3HD2 LEU 79 5.875 -4.723 -3.304 589 H GLU 80 H GLU 80 8.845 -8.480 -5.791 590 HA GLU 80 HA GLU 80 8.892 -10.190 -7.896 591 1HB GLU 80 1HB GLU 80 9.963 -11.652 -6.335 592 2HB GLU 80 2HB GLU 80 10.353 -9.992 -5.898 593 1HG GLU 80 1HG GLU 80 8.347 -10.130 -4.236 594 2HG GLU 80 2HG GLU 80 8.344 -11.856 -4.537 595 H GLY 81 H GLY 81 6.005 -9.665 -6.522 596 1HA GLY 81 1HA GLY 81 4.004 -10.729 -6.752 597 2HA GLY 81 2HA GLY 81 4.825 -12.126 -7.443 598 H ARG 82 H ARG 82 4.762 -10.325 -4.404 599 HA ARG 82 HA ARG 82 3.640 -12.715 -3.074 600 1HB ARG 82 1HB ARG 82 6.275 -11.499 -2.153 601 2HB ARG 82 2HB ARG 82 5.187 -12.394 -1.077 602 1HG ARG 82 1HG ARG 82 5.183 -14.246 -2.908 603 2HG ARG 82 2HG ARG 82 6.621 -13.443 -3.553 604 1HD ARG 82 1HD ARG 82 6.304 -14.394 -0.680 605 2HD ARG 82 2HD ARG 82 6.936 -15.413 -1.982 606 HE ARG 82 HE ARG 82 8.506 -13.069 -2.005 607 1HH1 ARG 82 2HH2 ARG 82 7.873 -15.829 0.171 608 2HH1 ARG 82 1HH2 ARG 82 9.506 -15.841 0.760 609 1HH2 ARG 82 2HH1 ARG 82 10.526 -13.086 -1.196 610 2HH2 ARG 82 1HH1 ARG 82 11.043 -14.262 0.017 611 H PHE 83 H PHE 83 4.721 -9.323 -2.256 612 HA PHE 83 HA PHE 83 2.073 -9.056 -0.906 613 1HB PHE 83 1HB PHE 83 4.814 -8.028 -0.035 614 2HB PHE 83 2HB PHE 83 3.297 -7.602 0.716 615 HD1 PHE 83 1HD PHE 83 2.075 -9.120 2.144 616 HD2 PHE 83 2HD PHE 83 5.825 -10.271 0.339 617 HE1 PHE 83 1HE PHE 83 2.353 -10.900 3.847 618 HE2 PHE 83 2HE PHE 83 6.078 -12.071 2.032 619 HZ PHE 83 HZ PHE 83 4.351 -12.340 3.811 620 H THR 84 H THR 84 1.799 -6.559 -0.502 621 HA THR 84 HA THR 84 3.397 -4.847 -2.175 622 HB THR 84 HB THR 84 0.644 -5.413 -3.008 623 HG1 THR 84 1HG THR 84 1.522 -4.854 -4.903 624 1HG2 THR 84 1HG2 THR 84 0.277 -3.044 -3.819 625 2HG2 THR 84 2HG2 THR 84 0.313 -3.059 -2.043 626 3HG2 THR 84 3HG2 THR 84 1.740 -2.539 -2.966 627 H VAL 85 H VAL 85 3.686 -2.941 -1.168 628 HA VAL 85 HA VAL 85 3.064 -3.078 1.691 629 HB VAL 85 HB VAL 85 5.212 -2.078 -0.159 630 1HG1 VAL 85 1HG1 VAL 85 6.825 -1.566 1.542 631 2HG1 VAL 85 2HG1 VAL 85 5.409 -0.519 1.642 632 3HG1 VAL 85 3HG1 VAL 85 5.635 -1.858 2.787 633 1HG2 VAL 85 1HG2 VAL 85 5.448 -4.406 -0.097 634 2HG2 VAL 85 2HG2 VAL 85 6.672 -3.866 1.049 635 3HG2 VAL 85 3HG2 VAL 85 5.103 -4.480 1.630 636 H ILE 86 H ILE 86 1.929 -1.251 2.576 637 HA ILE 86 HA ILE 86 1.574 1.130 0.791 638 HB ILE 86 HB ILE 86 -0.334 -0.316 2.669 639 1HG1 ILE 86 1HG1 ILE 86 0.084 -1.698 0.582 640 2HG1 ILE 86 2HG1 ILE 86 -1.557 -1.085 0.583 641 1HG2 ILE 86 1HG2 ILE 86 -1.040 1.957 2.554 642 2HG2 ILE 86 2HG2 ILE 86 -0.849 1.992 0.794 643 3HG2 ILE 86 3HG2 ILE 86 -2.145 1.029 1.537 644 1HD1 ILE 86 1HD1 ILE 86 -1.039 0.601 -1.063 645 2HD1 ILE 86 2HD1 ILE 86 0.696 0.354 -0.910 646 3HD1 ILE 86 3HD1 ILE 86 -0.302 -0.876 -1.661 647 H ARG 87 H ARG 87 2.703 2.847 1.864 648 HA ARG 87 HA ARG 87 1.923 3.194 4.743 649 1HB ARG 87 1HB ARG 87 3.974 4.611 2.997 650 2HB ARG 87 2HB ARG 87 3.515 5.144 4.617 651 1HG ARG 87 1HG ARG 87 4.460 3.132 5.587 652 2HG ARG 87 2HG ARG 87 4.839 2.485 3.950 653 1HD ARG 87 1HD ARG 87 6.346 4.282 3.515 654 2HD ARG 87 2HD ARG 87 5.869 5.109 5.016 655 HE ARG 87 HE ARG 87 7.085 2.382 5.074 656 1HH1 ARG 87 2HH2 ARG 87 7.595 5.834 5.687 657 2HH1 ARG 87 1HH2 ARG 87 8.833 5.559 6.896 658 1HH2 ARG 87 2HH1 ARG 87 8.463 2.045 6.836 659 2HH2 ARG 87 1HH1 ARG 87 9.393 3.325 7.544 660 H ARG 88 H ARG 88 -0.311 4.007 4.466 661 HA ARG 88 HA ARG 88 -0.574 6.327 2.677 662 1HB ARG 88 1HB ARG 88 -2.437 4.729 2.668 663 2HB ARG 88 2HB ARG 88 -2.670 4.959 4.418 664 1HG ARG 88 1HG ARG 88 -3.227 7.296 4.117 665 2HG ARG 88 2HG ARG 88 -2.606 7.293 2.466 666 1HD ARG 88 1HD ARG 88 -4.944 7.306 2.247 667 2HD ARG 88 2HD ARG 88 -4.425 5.699 1.843 668 HE ARG 88 HE ARG 88 -5.626 4.899 3.690 669 1HH1 ARG 88 2HH2 ARG 88 -5.417 8.426 3.868 670 2HH1 ARG 88 1HH2 ARG 88 -6.671 8.580 5.024 671 1HH2 ARG 88 2HH1 ARG 88 -7.360 5.113 5.163 672 2HH2 ARG 88 1HH1 ARG 88 -7.774 6.636 5.808 673 H GLY 89 H GLY 89 0.262 8.107 3.513 674 1HA GLY 89 1HA GLY 89 0.816 8.726 6.197 675 2HA GLY 89 2HA GLY 89 0.525 9.906 4.901 676 H LYS 90 H LYS 90 -0.192 10.408 7.481 677 HA LYS 90 HA LYS 90 -1.766 11.142 8.879 678 1HB LYS 90 1HB LYS 90 -3.604 10.970 6.494 679 2HB LYS 90 2HB LYS 90 -4.293 11.002 8.101 680 1HG LYS 90 1HG LYS 90 -4.256 13.217 7.270 681 2HG LYS 90 2HG LYS 90 -3.132 13.106 8.625 682 1HD LYS 90 1HD LYS 90 -1.222 13.123 7.109 683 2HD LYS 90 2HD LYS 90 -2.296 13.021 5.693 684 1HE LYS 90 1HE LYS 90 -3.293 15.211 6.265 685 2HE LYS 90 2HE LYS 90 -2.292 15.304 7.725 686 1HZ LYS 90 1HZ LYS 90 -1.297 16.608 5.973 687 2HZ LYS 90 2HZ LYS 90 -0.346 15.367 6.326 688 3HZ LYS 90 3HZ LYS 90 -1.229 15.291 4.955 689 H LYS 91 H LYS 91 -2.992 8.141 7.211 690 HA LYS 91 HA LYS 91 -3.916 7.289 9.902 691 1HB LYS 91 1HB LYS 91 -5.480 6.932 8.096 692 2HB LYS 91 2HB LYS 91 -4.326 5.933 7.222 693 1HG LYS 91 1HG LYS 91 -6.118 4.676 8.385 694 2HG LYS 91 2HG LYS 91 -4.515 4.143 8.822 695 1HD LYS 91 1HD LYS 91 -5.845 6.141 10.666 696 2HD LYS 91 2HD LYS 91 -6.509 4.504 10.583 697 1HE LYS 91 1HE LYS 91 -4.225 3.573 10.989 698 2HE LYS 91 2HE LYS 91 -3.633 5.212 11.318 699 1HZ LYS 91 1HZ LYS 91 -4.208 3.878 13.277 700 2HZ LYS 91 2HZ LYS 91 -5.049 5.272 13.243 701 3HZ LYS 91 3HZ LYS 91 -5.763 3.818 12.828 702 H LYS 92 H LYS 92 -2.303 4.888 7.591 703 HA LYS 92 HA LYS 92 -0.115 4.650 9.295 704 1HB LYS 92 1HB LYS 92 -2.232 3.600 10.487 705 2HB LYS 92 2HB LYS 92 -2.168 2.369 9.249 706 1HG LYS 92 1HG LYS 92 -1.204 1.697 11.435 707 2HG LYS 92 2HG LYS 92 -0.039 1.546 10.149 708 1HD LYS 92 1HD LYS 92 1.125 2.484 11.986 709 2HD LYS 92 2HD LYS 92 0.934 3.793 10.842 710 1HE LYS 92 1HE LYS 92 0.346 4.802 12.865 711 2HE LYS 92 2HE LYS 92 -1.228 4.410 12.178 712 1HZ LYS 92 1HZ LYS 92 -1.080 2.321 13.604 713 2HZ LYS 92 2HZ LYS 92 0.278 2.942 14.249 714 3HZ LYS 92 3HZ LYS 92 -1.133 3.743 14.466 715 H TYR 93 H TYR 93 0.472 2.184 8.741 716 HA TYR 93 HA TYR 93 0.914 1.967 5.948 717 1HB TYR 93 1HB TYR 93 2.899 1.810 7.340 718 2HB TYR 93 2HB TYR 93 2.071 0.604 8.391 719 HD1 TYR 93 1HD TYR 93 3.525 1.241 5.105 720 HD2 TYR 93 2HD TYR 93 2.002 -1.733 7.783 721 HE1 TYR 93 1HE TYR 93 4.224 -0.462 3.544 722 HE2 TYR 93 2HE TYR 93 2.563 -3.463 6.167 723 HH TYR 93 HH TYR 93 4.461 -3.643 4.240 724 H TYR 94 H TYR 94 0.142 -0.057 5.078 725 HA TYR 94 HA TYR 94 -1.049 -2.103 6.789 726 1HB TYR 94 1HB TYR 94 -2.052 -0.781 4.255 727 2HB TYR 94 2HB TYR 94 -2.553 -2.273 4.795 728 HD1 TYR 94 1HD TYR 94 -4.326 -2.511 6.504 729 HD2 TYR 94 2HD TYR 94 -2.531 1.334 5.704 730 HE1 TYR 94 1HE TYR 94 -6.214 -1.391 7.626 731 HE2 TYR 94 2HE TYR 94 -4.374 2.455 6.907 732 HH TYR 94 HH TYR 94 -7.327 0.848 7.614 733 H LEU 95 H LEU 95 -1.149 -4.031 5.545 734 HA LEU 95 HA LEU 95 1.009 -4.407 3.506 735 1HB LEU 95 1HB LEU 95 1.786 -5.330 5.674 736 2HB LEU 95 2HB LEU 95 0.339 -6.300 5.800 737 HG LEU 95 HG LEU 95 1.017 -7.630 3.832 738 1HD1 LEU 95 1HD1 LEU 95 3.460 -7.224 3.013 739 2HD1 LEU 95 2HD1 LEU 95 2.190 -6.174 2.389 740 3HD1 LEU 95 3HD1 LEU 95 3.252 -5.596 3.670 741 1HD2 LEU 95 1HD2 LEU 95 1.788 -8.489 5.909 742 2HD2 LEU 95 2HD2 LEU 95 3.168 -8.593 4.829 743 3HD2 LEU 95 3HD2 LEU 95 3.078 -7.303 6.047 744 H ILE 96 H ILE 96 0.401 -5.574 1.756 745 HA ILE 96 HA ILE 96 -2.311 -6.797 1.750 746 HB ILE 96 HB ILE 96 -0.763 -5.496 -0.545 747 1HG1 ILE 96 1HG1 ILE 96 -1.311 -3.685 1.014 748 2HG1 ILE 96 2HG1 ILE 96 -2.170 -3.543 -0.497 749 1HG2 ILE 96 1HG2 ILE 96 -2.844 -5.562 -1.788 750 2HG2 ILE 96 2HG2 ILE 96 -2.355 -7.179 -1.307 751 3HG2 ILE 96 3HG2 ILE 96 -3.669 -6.372 -0.438 752 1HD1 ILE 96 1HD1 ILE 96 -3.588 -2.965 1.389 753 2HD1 ILE 96 2HD1 ILE 96 -4.234 -4.391 0.571 754 3HD1 ILE 96 3HD1 ILE 96 -3.359 -4.570 2.111 755 H ARG 97 H ARG 97 -2.275 -8.952 1.135 756 HA ARG 97 HA ARG 97 -0.169 -9.818 -0.769 757 1HB ARG 97 1HB ARG 97 0.266 -10.569 1.687 758 2HB ARG 97 2HB ARG 97 -1.038 -11.681 1.470 759 1HG ARG 97 1HG ARG 97 0.517 -12.467 -0.588 760 2HG ARG 97 2HG ARG 97 1.737 -11.583 0.324 761 1HD ARG 97 1HD ARG 97 1.417 -12.984 2.248 762 2HD ARG 97 2HD ARG 97 0.041 -13.809 1.502 763 HE ARG 97 HE ARG 97 1.551 -14.660 -0.240 764 1HH1 ARG 97 2HH2 ARG 97 2.873 -14.038 2.969 765 2HH1 ARG 97 1HH2 ARG 97 4.271 -15.016 2.721 766 1HH2 ARG 97 2HH1 ARG 97 3.376 -15.847 -0.596 767 2HH2 ARG 97 1HH1 ARG 97 4.712 -15.898 0.504 768 H TYR 98 H TYR 98 -0.867 -12.188 -1.345 769 HA TYR 98 HA TYR 98 -3.718 -12.505 -1.585 770 1HB TYR 98 1HB TYR 98 -2.937 -13.846 -3.681 771 2HB TYR 98 2HB TYR 98 -3.428 -12.156 -3.759 772 HD1 TYR 98 1HD TYR 98 -2.379 -11.134 -5.519 773 HD2 TYR 98 2HD TYR 98 -0.115 -13.867 -3.055 774 HE1 TYR 98 1HE TYR 98 -0.464 -10.960 -7.075 775 HE2 TYR 98 2HE TYR 98 1.817 -13.650 -4.600 776 HH TYR 98 HH TYR 98 2.150 -13.086 -7.123 777 H ALA 99 H ALA 99 -4.277 -14.730 -1.699 778 HA ALA 99 HA ALA 99 -3.046 -16.200 0.379 779 1HB ALA 99 1HB ALA 99 -5.281 -16.971 -1.550 780 2HB ALA 99 2HB ALA 99 -4.908 -17.802 -0.022 781 3HB ALA 99 3HB ALA 99 -5.488 -16.129 -0.002 Start of MODEL 12 1 1H ALA 1 1H ALA 1 12.495 -8.295 -1.985 2 2H ALA 1 2H ALA 1 12.909 -7.872 -3.515 3 3H ALA 1 3H ALA 1 12.125 -9.283 -3.247 4 HA ALA 1 HA ALA 1 14.820 -8.678 -2.285 5 1HB ALA 1 1HB ALA 1 14.949 -10.955 -1.530 6 2HB ALA 1 2HB ALA 1 13.461 -10.255 -0.852 7 3HB ALA 1 3HB ALA 1 13.372 -11.359 -2.224 8 H LEU 2 H LEU 2 15.967 -8.272 -4.167 9 HA LEU 2 HA LEU 2 16.162 -10.325 -6.173 10 1HB LEU 2 1HB LEU 2 14.179 -8.509 -6.702 11 2HB LEU 2 2HB LEU 2 15.549 -7.585 -7.281 12 HG LEU 2 HG LEU 2 16.142 -9.942 -8.485 13 1HD1 LEU 2 1HD1 LEU 2 14.114 -11.108 -9.207 14 2HD1 LEU 2 2HD1 LEU 2 14.186 -11.130 -7.433 15 3HD1 LEU 2 3HD1 LEU 2 13.098 -10.007 -8.278 16 1HD2 LEU 2 1HD2 LEU 2 14.066 -7.955 -9.454 17 2HD2 LEU 2 2HD2 LEU 2 15.825 -7.942 -9.703 18 3HD2 LEU 2 3HD2 LEU 2 14.840 -9.187 -10.468 19 H PHE 3 H PHE 3 17.591 -8.195 -7.933 20 HA PHE 3 HA PHE 3 19.322 -6.856 -6.050 21 1HB PHE 3 1HB PHE 3 20.372 -9.185 -6.885 22 2HB PHE 3 2HB PHE 3 20.829 -8.228 -8.276 23 HD1 PHE 3 1HD PHE 3 21.222 -5.587 -6.312 24 HD2 PHE 3 2HD PHE 3 22.701 -9.637 -6.440 25 HE1 PHE 3 1HE PHE 3 23.073 -4.952 -4.832 26 HE2 PHE 3 2HE PHE 3 24.627 -8.958 -5.023 27 HZ PHE 3 HZ PHE 3 24.783 -6.652 -4.159 28 H SER 4 H SER 4 18.685 -4.854 -6.708 29 HA SER 4 HA SER 4 17.739 -3.246 -7.951 30 1HB SER 4 1HB SER 4 19.598 -4.231 -10.151 31 2HB SER 4 2HB SER 4 18.832 -2.645 -10.053 32 HG SER 4 HG SER 4 19.979 -2.144 -8.269 33 H GLY 5 H GLY 5 16.694 -2.828 -10.432 34 1HA GLY 5 1HA GLY 5 14.996 -3.410 -11.830 35 2HA GLY 5 2HA GLY 5 15.148 -5.108 -11.366 36 H ASP 6 H ASP 6 14.133 -5.795 -9.335 37 HA ASP 6 HA ASP 6 11.658 -4.276 -8.691 38 1HB ASP 6 1HB ASP 6 12.650 -6.964 -7.626 39 2HB ASP 6 2HB ASP 6 11.152 -6.185 -7.151 40 H ILE 7 H ILE 7 11.185 -4.189 -6.368 41 HA ILE 7 HA ILE 7 12.993 -2.850 -4.606 42 HB ILE 7 HB ILE 7 11.222 -3.238 -2.988 43 1HG1 ILE 7 1HG1 ILE 7 9.021 -4.168 -4.443 44 2HG1 ILE 7 2HG1 ILE 7 10.273 -5.273 -4.971 45 1HG2 ILE 7 1HG2 ILE 7 10.171 -2.267 -5.668 46 2HG2 ILE 7 2HG2 ILE 7 9.547 -1.867 -4.051 47 3HG2 ILE 7 3HG2 ILE 7 11.163 -1.336 -4.524 48 1HD1 ILE 7 1HD1 ILE 7 9.209 -6.276 -3.119 49 2HD1 ILE 7 2HD1 ILE 7 10.747 -5.748 -2.501 50 3HD1 ILE 7 3HD1 ILE 7 9.305 -4.811 -2.148 51 H ALA 8 H ALA 8 14.898 -3.890 -4.504 52 HA ALA 8 HA ALA 8 14.917 -6.650 -3.505 53 1HB ALA 8 1HB ALA 8 16.434 -6.109 -5.425 54 2HB ALA 8 2HB ALA 8 17.115 -4.765 -4.496 55 3HB ALA 8 3HB ALA 8 17.448 -6.424 -3.982 56 H ASN 9 H ASN 9 15.140 -3.676 -2.282 57 HA ASN 9 HA ASN 9 16.653 -4.162 0.146 58 1HB ASN 9 1HB ASN 9 15.293 -1.872 0.595 59 2HB ASN 9 2HB ASN 9 16.726 -1.948 -0.422 60 1HD2 ASN 9 1HD2 ASN 9 16.347 -0.263 -1.964 61 2HD2 ASN 9 2HD2 ASN 9 14.918 -0.310 -2.988 62 H LEU 10 H LEU 10 13.354 -4.191 -0.969 63 HA LEU 10 HA LEU 10 12.146 -4.520 1.715 64 1HB LEU 10 1HB LEU 10 11.231 -4.099 -1.092 65 2HB LEU 10 2HB LEU 10 10.117 -4.784 0.051 66 HG LEU 10 HG LEU 10 10.096 -2.337 -0.514 67 1HD1 LEU 10 1HD1 LEU 10 8.594 -2.996 1.163 68 2HD1 LEU 10 2HD1 LEU 10 9.901 -3.312 2.341 69 3HD1 LEU 10 3HD1 LEU 10 9.447 -1.654 1.894 70 1HD2 LEU 10 1HD2 LEU 10 12.378 -1.657 -0.143 71 2HD2 LEU 10 2HD2 LEU 10 11.312 -0.749 0.906 72 3HD2 LEU 10 3HD2 LEU 10 12.269 -2.090 1.577 73 H THR 11 H THR 11 12.728 -6.373 2.386 74 HA THR 11 HA THR 11 12.660 -8.831 0.734 75 HB THR 11 HB THR 11 13.833 -9.660 2.997 76 HG1 THR 11 1HG THR 11 14.629 -6.919 2.786 77 1HG2 THR 11 1HG2 THR 11 16.040 -9.113 1.963 78 2HG2 THR 11 2HG2 THR 11 14.897 -9.711 0.762 79 3HG2 THR 11 3HG2 THR 11 15.240 -7.975 0.855 80 H ALA 12 H ALA 12 11.817 -10.685 2.047 81 HA ALA 12 HA ALA 12 8.939 -10.024 2.458 82 1HB ALA 12 1HB ALA 12 8.606 -12.445 2.437 83 2HB ALA 12 2HB ALA 12 9.567 -11.956 1.034 84 3HB ALA 12 3HB ALA 12 10.355 -12.727 2.435 85 H ALA 13 H ALA 13 11.602 -11.451 4.315 86 HA ALA 13 HA ALA 13 10.081 -11.651 6.757 87 1HB ALA 13 1HB ALA 13 13.092 -11.313 6.364 88 2HB ALA 13 2HB ALA 13 12.283 -11.811 7.863 89 3HB ALA 13 3HB ALA 13 12.211 -12.864 6.441 90 H GLU 14 H GLU 14 11.751 -8.866 5.113 91 HA GLU 14 HA GLU 14 11.914 -7.326 7.542 92 1HB GLU 14 1HB GLU 14 13.442 -7.336 5.547 93 2HB GLU 14 2HB GLU 14 12.166 -6.687 4.538 94 1HG GLU 14 1HG GLU 14 13.282 -5.289 7.028 95 2HG GLU 14 2HG GLU 14 13.923 -5.040 5.405 96 H ILE 15 H ILE 15 9.777 -7.610 4.653 97 HA ILE 15 HA ILE 15 8.023 -5.507 5.481 98 HB ILE 15 HB ILE 15 7.922 -7.806 3.481 99 1HG1 ILE 15 1HG1 ILE 15 7.840 -4.780 3.178 100 2HG1 ILE 15 2HG1 ILE 15 9.331 -5.663 3.178 101 1HG2 ILE 15 1HG2 ILE 15 5.702 -5.827 4.138 102 2HG2 ILE 15 2HG2 ILE 15 5.761 -6.765 2.631 103 3HG2 ILE 15 3HG2 ILE 15 5.622 -7.601 4.167 104 1HD1 ILE 15 1HD1 ILE 15 8.099 -5.047 0.883 105 2HD1 ILE 15 2HD1 ILE 15 9.040 -6.537 1.068 106 3HD1 ILE 15 3HD1 ILE 15 7.271 -6.559 1.148 107 H GLU 16 H GLU 16 7.720 -9.120 5.846 108 HA GLU 16 HA GLU 16 5.222 -8.945 7.159 109 1HB GLU 16 1HB GLU 16 7.541 -10.853 7.544 110 2HB GLU 16 2HB GLU 16 5.984 -11.016 8.375 111 1HG GLU 16 1HG GLU 16 4.823 -11.121 6.159 112 2HG GLU 16 2HG GLU 16 6.408 -11.147 5.373 113 H GLN 17 H GLN 17 8.560 -8.677 8.595 114 HA GLN 17 HA GLN 17 7.480 -8.579 11.292 115 1HB GLN 17 1HB GLN 17 9.845 -9.314 10.354 116 2HB GLN 17 2HB GLN 17 10.196 -7.580 10.393 117 1HG GLN 17 1HG GLN 17 10.951 -8.275 12.423 118 2HG GLN 17 2HG GLN 17 9.323 -7.766 12.880 119 1HE2 GLN 17 1HE2 GLN 17 11.395 -10.558 12.116 120 2HE2 GLN 17 2HE2 GLN 17 10.352 -11.803 12.771 121 H GLY 18 H GLY 18 8.364 -6.373 8.699 122 1HA GLY 18 1HA GLY 18 8.735 -3.984 10.093 123 2HA GLY 18 2HA GLY 18 8.373 -4.166 8.367 124 H PHE 19 H PHE 19 5.965 -5.557 8.550 125 HA PHE 19 HA PHE 19 4.215 -3.240 9.217 126 1HB PHE 19 1HB PHE 19 4.017 -5.515 7.248 127 2HB PHE 19 2HB PHE 19 2.693 -4.417 7.602 128 HD1 PHE 19 1HD PHE 19 2.466 -2.492 6.367 129 HD2 PHE 19 2HD PHE 19 6.436 -4.131 6.739 130 HE1 PHE 19 1HE PHE 19 3.411 -0.574 5.138 131 HE2 PHE 19 2HE PHE 19 7.377 -2.146 5.702 132 HZ PHE 19 HZ PHE 19 5.878 -0.298 4.971 133 H LYS 20 H LYS 20 5.140 -5.800 10.882 134 HA LYS 20 HA LYS 20 2.729 -6.959 11.751 135 1HB LYS 20 1HB LYS 20 5.245 -7.682 11.991 136 2HB LYS 20 2HB LYS 20 5.261 -6.670 13.429 137 1HG LYS 20 1HG LYS 20 3.413 -8.135 14.372 138 2HG LYS 20 2HG LYS 20 3.495 -9.097 12.887 139 1HD LYS 20 1HD LYS 20 6.183 -8.882 13.832 140 2HD LYS 20 2HD LYS 20 5.199 -9.141 15.276 141 1HE LYS 20 1HE LYS 20 4.205 -11.160 14.251 142 2HE LYS 20 2HE LYS 20 5.101 -10.847 12.749 143 1HZ LYS 20 1HZ LYS 20 6.268 -11.473 15.378 144 2HZ LYS 20 2HZ LYS 20 6.282 -12.440 14.040 145 3HZ LYS 20 3HZ LYS 20 7.149 -11.045 14.042 146 H ASP 21 H ASP 21 3.389 -3.797 12.204 147 HA ASP 21 HA ASP 21 2.289 -3.479 14.867 148 1HB ASP 21 1HB ASP 21 2.681 -1.241 14.513 149 2HB ASP 21 2HB ASP 21 4.075 -2.018 13.825 150 H VAL 22 H VAL 22 1.089 -3.961 11.589 151 HA VAL 22 HA VAL 22 -1.631 -3.367 12.566 152 HB VAL 22 HB VAL 22 -0.355 -1.639 11.039 153 1HG1 VAL 22 1HG1 VAL 22 -0.992 -1.766 8.691 154 2HG1 VAL 22 2HG1 VAL 22 0.194 -3.024 9.153 155 3HG1 VAL 22 3HG1 VAL 22 -1.525 -3.406 8.912 156 1HG2 VAL 22 1HG2 VAL 22 -3.194 -1.851 10.260 157 2HG2 VAL 22 2HG2 VAL 22 -2.682 -1.415 11.908 158 3HG2 VAL 22 3HG2 VAL 22 -2.149 -0.475 10.514 159 HA PRO 23 HA PRO 23 -2.185 -7.351 10.678 160 1HB PRO 23 1HB PRO 23 -4.711 -7.525 9.862 161 2HB PRO 23 2HB PRO 23 -4.328 -7.231 11.593 162 1HG PRO 23 1HG PRO 23 -5.162 -5.261 9.480 163 2HG PRO 23 2HG PRO 23 -5.664 -5.406 11.189 164 1HD PRO 23 1HD PRO 23 -3.591 -3.783 10.045 165 2HD PRO 23 2HD PRO 23 -3.802 -3.953 11.809 166 H SER 24 H SER 24 -2.769 -8.331 8.681 167 HA SER 24 HA SER 24 -1.886 -6.654 6.320 168 1HB SER 24 1HB SER 24 -1.277 -9.631 6.781 169 2HB SER 24 2HB SER 24 -0.685 -8.617 5.457 170 HG SER 24 HG SER 24 -0.096 -8.289 8.248 171 H PHE 25 H PHE 25 -2.820 -7.681 4.175 172 HA PHE 25 HA PHE 25 -5.451 -9.045 4.719 173 1HB PHE 25 1HB PHE 25 -5.820 -6.792 4.040 174 2HB PHE 25 2HB PHE 25 -4.631 -6.926 2.734 175 HD1 PHE 25 1HD PHE 25 -7.860 -8.548 3.854 176 HD2 PHE 25 2HD PHE 25 -5.412 -7.222 0.554 177 HE1 PHE 25 1HE PHE 25 -9.639 -9.173 2.249 178 HE2 PHE 25 2HE PHE 25 -7.190 -7.857 -1.029 179 HZ PHE 25 HZ PHE 25 -9.318 -8.844 -0.179 180 H VAL 26 H VAL 26 -6.123 -10.500 2.988 181 HA VAL 26 HA VAL 26 -4.072 -11.261 1.120 182 HB VAL 26 HB VAL 26 -3.960 -12.683 3.184 183 1HG1 VAL 26 1HG1 VAL 26 -6.397 -13.072 3.502 184 2HG1 VAL 26 2HG1 VAL 26 -6.411 -14.037 2.005 185 3HG1 VAL 26 3HG1 VAL 26 -5.449 -14.577 3.385 186 1HG2 VAL 26 1HG2 VAL 26 -3.473 -14.704 1.894 187 2HG2 VAL 26 2HG2 VAL 26 -4.444 -14.103 0.537 188 3HG2 VAL 26 3HG2 VAL 26 -2.934 -13.283 0.992 189 H HIS 27 H HIS 27 -5.075 -11.230 -0.993 190 HA HIS 27 HA HIS 27 -7.954 -12.047 -0.888 191 1HB HIS 27 1HB HIS 27 -8.129 -11.163 -3.164 192 2HB HIS 27 2HB HIS 27 -8.015 -9.995 -1.863 193 HD1 HIS 27 1HD HIS 27 -7.562 -8.751 -4.416 194 HD2 HIS 27 2HD HIS 27 -4.478 -10.865 -2.550 195 HE1 HIS 27 1HE HIS 27 -5.381 -7.683 -5.114 196 H GLU 28 H GLU 28 -8.498 -13.774 -1.824 197 HA GLU 28 HA GLU 28 -6.511 -15.612 -3.000 198 1HB GLU 28 1HB GLU 28 -9.491 -15.949 -2.437 199 2HB GLU 28 2HB GLU 28 -8.398 -17.200 -3.067 200 1HG GLU 28 1HG GLU 28 -6.940 -16.813 -1.006 201 2HG GLU 28 2HG GLU 28 -8.215 -15.786 -0.364 202 H GLY 29 H GLY 29 -6.221 -13.625 -4.466 203 1HA GLY 29 1HA GLY 29 -7.564 -14.180 -7.048 204 2HA GLY 29 2HA GLY 29 -7.784 -12.565 -6.364 205 H GLY 30 H GLY 30 -6.612 -12.694 -8.783 206 1HA GLY 30 1HA GLY 30 -3.720 -12.207 -8.380 207 2HA GLY 30 2HA GLY 30 -4.542 -12.483 -9.919 208 H ASP 31 H ASP 31 -3.928 -10.540 -10.797 209 HA ASP 31 HA ASP 31 -3.536 -8.223 -9.412 210 1HB ASP 31 1HB ASP 31 -2.722 -7.225 -11.193 211 2HB ASP 31 2HB ASP 31 -2.585 -8.904 -11.652 212 H VAL 32 H VAL 32 -4.429 -6.189 -9.082 213 HA VAL 32 HA VAL 32 -7.261 -5.865 -9.512 214 HB VAL 32 HB VAL 32 -6.196 -7.272 -7.178 215 1HG1 VAL 32 1HG1 VAL 32 -7.695 -6.482 -5.474 216 2HG1 VAL 32 2HG1 VAL 32 -6.693 -5.131 -6.008 217 3HG1 VAL 32 3HG1 VAL 32 -8.375 -5.276 -6.564 218 1HG2 VAL 32 1HG2 VAL 32 -8.881 -7.064 -8.560 219 2HG2 VAL 32 2HG2 VAL 32 -7.788 -8.463 -8.440 220 3HG2 VAL 32 3HG2 VAL 32 -8.700 -7.917 -7.033 221 HA PRO 33 HA PRO 33 -5.638 -1.941 -9.117 222 1HB PRO 33 1HB PRO 33 -7.859 -0.359 -8.659 223 2HB PRO 33 2HB PRO 33 -7.422 -1.093 -10.225 224 1HG PRO 33 1HG PRO 33 -9.433 -2.028 -8.208 225 2HG PRO 33 2HG PRO 33 -9.525 -2.084 -9.994 226 1HD PRO 33 1HD PRO 33 -8.846 -4.280 -8.416 227 2HD PRO 33 2HD PRO 33 -8.288 -4.072 -10.092 228 H LEU 34 H LEU 34 -4.732 -0.574 -7.790 229 HA LEU 34 HA LEU 34 -4.373 -0.756 -5.171 230 1HB LEU 34 1HB LEU 34 -3.928 1.703 -5.143 231 2HB LEU 34 2HB LEU 34 -2.970 0.593 -6.065 232 HG LEU 34 HG LEU 34 -3.399 1.448 -8.016 233 1HD1 LEU 34 1HD1 LEU 34 -5.334 2.957 -8.686 234 2HD1 LEU 34 2HD1 LEU 34 -5.754 1.289 -8.400 235 3HD1 LEU 34 3HD1 LEU 34 -6.095 2.512 -7.162 236 1HD2 LEU 34 1HD2 LEU 34 -2.192 3.102 -7.092 237 2HD2 LEU 34 2HD2 LEU 34 -3.480 3.951 -7.945 238 3HD2 LEU 34 3HD2 LEU 34 -3.554 3.790 -6.211 239 H VAL 35 H VAL 35 -7.156 0.951 -6.508 240 HA VAL 35 HA VAL 35 -8.198 1.798 -3.922 241 HB VAL 35 HB VAL 35 -8.296 3.200 -5.888 242 1HG1 VAL 35 1HG1 VAL 35 -8.519 1.622 -7.711 243 2HG1 VAL 35 2HG1 VAL 35 -10.123 1.106 -7.125 244 3HG1 VAL 35 3HG1 VAL 35 -9.861 2.747 -7.741 245 1HG2 VAL 35 1HG2 VAL 35 -10.053 3.461 -4.147 246 2HG2 VAL 35 2HG2 VAL 35 -10.531 4.026 -5.763 247 3HG2 VAL 35 3HG2 VAL 35 -11.129 2.484 -5.169 248 H GLU 36 H GLU 36 -8.434 -1.189 -5.563 249 HA GLU 36 HA GLU 36 -10.873 -1.917 -4.017 250 1HB GLU 36 1HB GLU 36 -9.233 -3.217 -6.200 251 2HB GLU 36 2HB GLU 36 -10.193 -4.214 -5.114 252 1HG GLU 36 1HG GLU 36 -11.455 -1.880 -6.592 253 2HG GLU 36 2HG GLU 36 -11.222 -3.443 -7.363 254 H LEU 37 H LEU 37 -7.228 -2.298 -4.124 255 HA LEU 37 HA LEU 37 -7.430 -4.649 -2.421 256 1HB LEU 37 1HB LEU 37 -5.062 -4.784 -2.477 257 2HB LEU 37 2HB LEU 37 -5.666 -4.537 -4.100 258 HG LEU 37 HG LEU 37 -5.130 -2.014 -3.616 259 1HD1 LEU 37 1HD1 LEU 37 -3.132 -1.619 -2.262 260 2HD1 LEU 37 2HD1 LEU 37 -4.338 -2.349 -1.203 261 3HD1 LEU 37 3HD1 LEU 37 -3.027 -3.342 -1.857 262 1HD2 LEU 37 1HD2 LEU 37 -2.928 -4.003 -4.197 263 2HD2 LEU 37 2HD2 LEU 37 -4.095 -3.354 -5.369 264 3HD2 LEU 37 3HD2 LEU 37 -2.903 -2.294 -4.606 265 H LEU 38 H LEU 38 -6.997 -1.070 -2.069 266 HA LEU 38 HA LEU 38 -6.129 -1.448 0.542 267 1HB LEU 38 1HB LEU 38 -5.725 0.747 0.597 268 2HB LEU 38 2HB LEU 38 -5.971 0.655 -1.123 269 HG LEU 38 HG LEU 38 -8.177 1.402 0.841 270 1HD1 LEU 38 1HD1 LEU 38 -5.942 3.018 -0.184 271 2HD1 LEU 38 2HD1 LEU 38 -7.550 3.773 -0.264 272 3HD1 LEU 38 3HD1 LEU 38 -6.921 3.173 1.266 273 1HD2 LEU 38 1HD2 LEU 38 -8.289 0.778 -1.918 274 2HD2 LEU 38 2HD2 LEU 38 -9.548 1.446 -0.875 275 3HD2 LEU 38 3HD2 LEU 38 -8.519 2.526 -1.790 276 H VAL 39 H VAL 39 -9.236 -1.088 -1.011 277 HA VAL 39 HA VAL 39 -10.767 -0.300 1.297 278 HB VAL 39 HB VAL 39 -10.988 -0.333 -1.434 279 1HG1 VAL 39 1HG1 VAL 39 -11.927 -2.597 -1.700 280 2HG1 VAL 39 2HG1 VAL 39 -13.226 -2.199 -0.553 281 3HG1 VAL 39 3HG1 VAL 39 -13.106 -1.380 -2.123 282 1HG2 VAL 39 1HG2 VAL 39 -13.208 0.134 0.603 283 2HG2 VAL 39 2HG2 VAL 39 -12.057 1.328 -0.047 284 3HG2 VAL 39 3HG2 VAL 39 -13.306 0.662 -1.082 285 H SER 40 H SER 40 -10.158 -3.117 -0.491 286 HA SER 40 HA SER 40 -11.615 -5.001 1.072 287 1HB SER 40 1HB SER 40 -10.574 -5.151 -1.403 288 2HB SER 40 2HB SER 40 -9.247 -5.938 -0.529 289 HG SER 40 HG SER 40 -11.862 -6.692 -1.062 290 H ALA 41 H ALA 41 -8.133 -3.847 1.038 291 HA ALA 41 HA ALA 41 -7.522 -5.706 3.160 292 1HB ALA 41 1HB ALA 41 -5.334 -4.484 3.263 293 2HB ALA 41 2HB ALA 41 -5.771 -5.045 1.639 294 3HB ALA 41 3HB ALA 41 -5.961 -3.347 2.050 295 H GLY 42 H GLY 42 -8.820 -2.427 3.258 296 1HA GLY 42 1HA GLY 42 -10.147 -2.060 5.297 297 2HA GLY 42 2HA GLY 42 -8.898 -2.825 6.213 298 H ILE 43 H ILE 43 -7.835 -0.720 3.734 299 HA ILE 43 HA ILE 43 -6.387 0.893 5.665 300 HB ILE 43 HB ILE 43 -6.701 0.810 2.658 301 1HG1 ILE 43 1HG1 ILE 43 -4.626 -0.184 2.333 302 2HG1 ILE 43 2HG1 ILE 43 -3.977 0.316 3.855 303 1HG2 ILE 43 1HG2 ILE 43 -4.706 2.536 4.229 304 2HG2 ILE 43 2HG2 ILE 43 -4.778 2.395 2.458 305 3HG2 ILE 43 3HG2 ILE 43 -6.101 3.163 3.345 306 1HD1 ILE 43 1HD1 ILE 43 -5.288 -1.394 5.036 307 2HD1 ILE 43 2HD1 ILE 43 -6.069 -1.826 3.509 308 3HD1 ILE 43 3HD1 ILE 43 -4.333 -2.110 3.718 309 H SER 44 H SER 44 -9.206 1.253 3.407 310 HA SER 44 HA SER 44 -10.357 3.497 4.841 311 1HB SER 44 1HB SER 44 -8.786 4.028 2.333 312 2HB SER 44 2HB SER 44 -10.324 4.865 2.608 313 HG SER 44 HG SER 44 -8.149 5.722 3.544 314 HA PRO 45 HA PRO 45 -13.144 0.708 2.769 315 1HB PRO 45 1HB PRO 45 -15.339 1.002 4.366 316 2HB PRO 45 2HB PRO 45 -13.868 0.158 4.928 317 1HG PRO 45 1HG PRO 45 -14.681 3.040 5.399 318 2HG PRO 45 2HG PRO 45 -14.108 1.854 6.613 319 1HD PRO 45 1HD PRO 45 -12.461 3.694 5.455 320 2HD PRO 45 2HD PRO 45 -11.887 2.055 5.896 321 H SER 46 H SER 46 -13.497 4.106 3.101 322 HA SER 46 HA SER 46 -16.215 4.096 1.921 323 1HB SER 46 1HB SER 46 -15.314 5.627 3.854 324 2HB SER 46 2HB SER 46 -14.730 6.613 2.507 325 HG SER 46 HG SER 46 -17.362 5.716 3.064 326 H LYS 47 H LYS 47 -16.366 3.999 -0.291 327 HA LYS 47 HA LYS 47 -14.259 3.808 -2.032 328 1HB LYS 47 1HB LYS 47 -17.120 4.676 -2.523 329 2HB LYS 47 2HB LYS 47 -15.979 4.451 -3.837 330 1HG LYS 47 1HG LYS 47 -15.693 2.143 -3.390 331 2HG LYS 47 2HG LYS 47 -16.476 2.251 -1.804 332 1HD LYS 47 1HD LYS 47 -18.638 2.672 -2.779 333 2HD LYS 47 2HD LYS 47 -17.932 2.872 -4.404 334 1HE LYS 47 1HE LYS 47 -17.228 0.560 -4.467 335 2HE LYS 47 2HE LYS 47 -17.714 0.303 -2.789 336 1HZ LYS 47 1HZ LYS 47 -19.740 1.138 -4.740 337 2HZ LYS 47 2HZ LYS 47 -19.239 -0.433 -4.677 338 3HZ LYS 47 3HZ LYS 47 -19.918 0.276 -3.358 339 H ARG 48 H ARG 48 -15.874 6.918 -1.208 340 HA ARG 48 HA ARG 48 -14.313 8.429 -3.126 341 1HB ARG 48 1HB ARG 48 -16.410 9.222 -1.820 342 2HB ARG 48 2HB ARG 48 -15.291 9.575 -0.500 343 1HG ARG 48 1HG ARG 48 -13.968 10.760 -2.632 344 2HG ARG 48 2HG ARG 48 -15.633 10.869 -3.183 345 1HD ARG 48 1HD ARG 48 -14.338 12.035 -0.713 346 2HD ARG 48 2HD ARG 48 -15.107 12.918 -2.020 347 HE ARG 48 HE ARG 48 -16.314 11.786 0.339 348 1HH1 ARG 48 2HH2 ARG 48 -17.035 12.739 -3.017 349 2HH1 ARG 48 1HH2 ARG 48 -18.745 12.552 -2.850 350 1HH2 ARG 48 2HH1 ARG 48 -18.614 11.400 0.486 351 2HH2 ARG 48 1HH1 ARG 48 -19.652 11.969 -0.801 352 H GLN 49 H GLN 49 -13.819 7.759 0.389 353 HA GLN 49 HA GLN 49 -11.433 9.312 0.623 354 1HB GLN 49 1HB GLN 49 -12.832 8.224 2.555 355 2HB GLN 49 2HB GLN 49 -12.042 6.715 2.163 356 1HG GLN 49 1HG GLN 49 -10.910 7.883 4.036 357 2HG GLN 49 2HG GLN 49 -9.846 7.595 2.662 358 1HE2 GLN 49 1HE2 GLN 49 -8.426 9.372 2.358 359 2HE2 GLN 49 2HE2 GLN 49 -8.985 11.024 2.432 360 H ALA 50 H ALA 50 -12.032 5.880 0.213 361 HA ALA 50 HA ALA 50 -9.560 4.874 -0.131 362 1HB ALA 50 1HB ALA 50 -10.720 3.151 -1.632 363 2HB ALA 50 2HB ALA 50 -11.602 3.516 -0.126 364 3HB ALA 50 3HB ALA 50 -12.114 4.205 -1.674 365 H ARG 51 H ARG 51 -11.623 6.119 -2.809 366 HA ARG 51 HA ARG 51 -9.782 5.959 -4.880 367 1HB ARG 51 1HB ARG 51 -11.964 6.482 -5.524 368 2HB ARG 51 2HB ARG 51 -12.137 7.758 -4.319 369 1HG ARG 51 1HG ARG 51 -10.637 9.233 -5.629 370 2HG ARG 51 2HG ARG 51 -10.525 7.993 -6.889 371 1HD ARG 51 1HD ARG 51 -13.134 9.239 -5.899 372 2HD ARG 51 2HD ARG 51 -12.211 9.878 -7.247 373 HE ARG 51 HE ARG 51 -13.676 7.301 -7.112 374 1HH1 ARG 51 2HH2 ARG 51 -11.977 9.700 -9.190 375 2HH1 ARG 51 1HH2 ARG 51 -12.170 8.760 -10.623 376 1HH2 ARG 51 2HH1 ARG 51 -14.010 6.185 -9.056 377 2HH2 ARG 51 1HH1 ARG 51 -13.449 6.736 -10.569 378 H GLU 52 H GLU 52 -10.123 8.616 -2.531 379 HA GLU 52 HA GLU 52 -7.979 10.050 -3.969 380 1HB GLU 52 1HB GLU 52 -9.968 11.152 -2.899 381 2HB GLU 52 2HB GLU 52 -9.315 10.708 -1.309 382 1HG GLU 52 1HG GLU 52 -7.289 12.075 -1.747 383 2HG GLU 52 2HG GLU 52 -7.824 12.364 -3.403 384 H ASP 53 H ASP 53 -8.195 8.025 -1.079 385 HA ASP 53 HA ASP 53 -5.605 8.506 -0.090 386 1HB ASP 53 1HB ASP 53 -7.810 6.426 0.142 387 2HB ASP 53 2HB ASP 53 -6.211 5.905 0.500 388 H ILE 54 H ILE 54 -6.911 6.765 -2.866 389 HA ILE 54 HA ILE 54 -4.256 5.728 -3.349 390 HB ILE 54 HB ILE 54 -7.030 5.116 -4.245 391 1HG1 ILE 54 1HG1 ILE 54 -5.846 2.981 -4.886 392 2HG1 ILE 54 2HG1 ILE 54 -4.343 3.736 -4.305 393 1HG2 ILE 54 1HG2 ILE 54 -6.592 6.187 -6.358 394 2HG2 ILE 54 2HG2 ILE 54 -5.091 5.290 -6.572 395 3HG2 ILE 54 3HG2 ILE 54 -6.654 4.464 -6.568 396 1HD1 ILE 54 1HD1 ILE 54 -5.207 3.970 -2.097 397 2HD1 ILE 54 2HD1 ILE 54 -6.816 3.443 -2.634 398 3HD1 ILE 54 3HD1 ILE 54 -5.453 2.299 -2.625 399 H GLN 55 H GLN 55 -6.374 8.246 -4.757 400 HA GLN 55 HA GLN 55 -4.560 8.639 -6.937 401 1HB GLN 55 1HB GLN 55 -6.846 10.247 -5.742 402 2HB GLN 55 2HB GLN 55 -5.914 10.825 -7.109 403 1HG GLN 55 1HG GLN 55 -6.414 8.794 -8.386 404 2HG GLN 55 2HG GLN 55 -7.398 8.176 -7.072 405 1HE2 GLN 55 1HE2 GLN 55 -8.231 8.930 -9.892 406 2HE2 GLN 55 2HE2 GLN 55 -9.336 10.284 -9.747 407 H ASN 56 H ASN 56 -4.371 9.534 -3.645 408 HA ASN 56 HA ASN 56 -2.806 11.874 -4.213 409 1HB ASN 56 1HB ASN 56 -3.414 10.345 -1.611 410 2HB ASN 56 2HB ASN 56 -2.337 11.725 -1.622 411 1HD2 ASN 56 1HD2 ASN 56 -4.685 12.675 -3.852 412 2HD2 ASN 56 2HD2 ASN 56 -5.673 13.537 -2.719 413 H GLY 57 H GLY 57 -0.849 12.408 -3.879 414 1HA GLY 57 1HA GLY 57 1.233 10.398 -4.043 415 2HA GLY 57 2HA GLY 57 1.469 12.142 -3.904 416 H ALA 58 H ALA 58 -0.500 10.330 -1.749 417 HA ALA 58 HA ALA 58 1.358 10.610 0.546 418 1HB ALA 58 1HB ALA 58 -1.662 10.917 0.575 419 2HB ALA 58 2HB ALA 58 -0.463 11.351 1.841 420 3HB ALA 58 3HB ALA 58 -0.567 12.299 0.376 421 H ILE 59 H ILE 59 -0.238 8.345 -1.603 422 HA ILE 59 HA ILE 59 0.333 6.211 0.444 423 HB ILE 59 HB ILE 59 -1.781 6.352 -0.137 424 1HG1 ILE 59 1HG1 ILE 59 -0.994 4.211 0.239 425 2HG1 ILE 59 2HG1 ILE 59 -2.304 4.198 -0.957 426 1HG2 ILE 59 1HG2 ILE 59 -0.796 6.564 -3.039 427 2HG2 ILE 59 2HG2 ILE 59 -2.324 5.763 -2.741 428 3HG2 ILE 59 3HG2 ILE 59 -2.116 7.437 -2.241 429 1HD1 ILE 59 1HD1 ILE 59 0.579 3.619 -1.258 430 2HD1 ILE 59 2HD1 ILE 59 -0.882 2.843 -1.979 431 3HD1 ILE 59 3HD1 ILE 59 -0.259 4.353 -2.645 432 H TYR 60 H TYR 60 2.391 6.246 0.532 433 HA TYR 60 HA TYR 60 4.052 5.868 -1.791 434 1HB TYR 60 1HB TYR 60 4.966 5.342 1.019 435 2HB TYR 60 2HB TYR 60 5.822 6.022 -0.335 436 HD1 TYR 60 1HD TYR 60 4.567 6.850 2.800 437 HD2 TYR 60 2HD TYR 60 4.678 8.339 -1.240 438 HE1 TYR 60 1HE TYR 60 4.420 9.146 3.656 439 HE2 TYR 60 2HE TYR 60 4.513 10.644 -0.408 440 HH TYR 60 HH TYR 60 5.168 11.409 2.837 441 H VAL 61 H VAL 61 3.783 3.953 -2.846 442 HA VAL 61 HA VAL 61 3.012 1.508 -1.305 443 HB VAL 61 HB VAL 61 3.444 1.814 -4.314 444 1HG1 VAL 61 1HG1 VAL 61 2.393 -0.497 -2.620 445 2HG1 VAL 61 2HG1 VAL 61 2.499 -0.494 -4.374 446 3HG1 VAL 61 3HG1 VAL 61 3.977 -0.455 -3.430 447 1HG2 VAL 61 1HG2 VAL 61 1.393 2.925 -3.717 448 2HG2 VAL 61 2HG2 VAL 61 0.906 1.296 -4.236 449 3HG2 VAL 61 3HG2 VAL 61 0.992 1.658 -2.532 450 H ASN 62 H ASN 62 4.529 0.143 -0.649 451 HA ASN 62 HA ASN 62 6.578 -0.660 -0.064 452 1HB ASN 62 1HB ASN 62 6.838 -0.374 -2.989 453 2HB ASN 62 2HB ASN 62 8.320 -0.592 -2.075 454 1HD2 ASN 62 1HD2 ASN 62 4.906 -1.938 -2.165 455 2HD2 ASN 62 2HD2 ASN 62 5.545 -3.584 -2.017 456 H GLY 63 H GLY 63 6.083 2.519 -0.401 457 1HA GLY 63 1HA GLY 63 7.271 4.023 1.108 458 2HA GLY 63 2HA GLY 63 8.789 3.256 0.601 459 H GLU 64 H GLU 64 6.653 3.575 -2.159 460 HA GLU 64 HA GLU 64 7.968 6.124 -2.863 461 1HB GLU 64 1HB GLU 64 8.736 3.746 -3.872 462 2HB GLU 64 2HB GLU 64 7.356 4.036 -4.918 463 1HG GLU 64 1HG GLU 64 8.639 5.403 -6.169 464 2HG GLU 64 2HG GLU 64 8.749 6.534 -4.827 465 H ARG 65 H ARG 65 6.534 7.618 -3.359 466 HA ARG 65 HA ARG 65 3.771 7.467 -3.193 467 1HB ARG 65 1HB ARG 65 5.051 9.543 -3.016 468 2HB ARG 65 2HB ARG 65 5.788 9.303 -4.580 469 1HG ARG 65 1HG ARG 65 2.892 9.522 -4.824 470 2HG ARG 65 2HG ARG 65 3.603 10.892 -3.938 471 1HD ARG 65 1HD ARG 65 5.305 11.087 -5.831 472 2HD ARG 65 2HD ARG 65 4.314 9.940 -6.742 473 HE ARG 65 HE ARG 65 2.991 12.370 -5.701 474 1HH1 ARG 65 2HH2 ARG 65 4.994 11.180 -8.351 475 2HH1 ARG 65 1HH2 ARG 65 4.419 12.307 -9.512 476 1HH2 ARG 65 2HH1 ARG 65 2.117 13.798 -7.200 477 2HH2 ARG 65 1HH1 ARG 65 2.899 14.036 -8.719 478 H LEU 66 H LEU 66 2.532 5.951 -4.381 479 HA LEU 66 HA LEU 66 2.703 6.168 -7.334 480 1HB LEU 66 1HB LEU 66 3.032 3.691 -5.721 481 2HB LEU 66 2HB LEU 66 2.574 3.727 -7.445 482 HG LEU 66 HG LEU 66 5.142 4.989 -6.399 483 1HD1 LEU 66 1HD1 LEU 66 4.651 2.267 -7.608 484 2HD1 LEU 66 2HD1 LEU 66 6.234 3.019 -7.238 485 3HD1 LEU 66 3HD1 LEU 66 5.112 2.630 -5.914 486 1HD2 LEU 66 1HD2 LEU 66 4.242 4.203 -9.209 487 2HD2 LEU 66 2HD2 LEU 66 4.451 5.866 -8.598 488 3HD2 LEU 66 3HD2 LEU 66 5.846 4.809 -8.758 489 H GLN 67 H GLN 67 0.760 6.918 -7.664 490 HA GLN 67 HA GLN 67 -1.681 5.956 -6.370 491 1HB GLN 67 1HB GLN 67 -2.191 8.574 -6.473 492 2HB GLN 67 2HB GLN 67 -1.256 7.917 -5.186 493 1HG GLN 67 1HG GLN 67 -0.717 10.144 -6.366 494 2HG GLN 67 2HG GLN 67 0.490 9.167 -5.627 495 1HE2 GLN 67 1HE2 GLN 67 2.314 8.449 -7.083 496 2HE2 GLN 67 2HE2 GLN 67 2.175 8.619 -8.813 497 H ASP 68 H ASP 68 -1.102 4.922 -8.916 498 HA ASP 68 HA ASP 68 -3.563 5.933 -10.120 499 1HB ASP 68 1HB ASP 68 -1.495 6.972 -11.211 500 2HB ASP 68 2HB ASP 68 -1.105 5.360 -11.792 501 H VAL 69 H VAL 69 -4.583 4.337 -11.494 502 HA VAL 69 HA VAL 69 -4.076 1.532 -10.816 503 HB VAL 69 HB VAL 69 -6.282 2.215 -11.231 504 1HG1 VAL 69 1HG1 VAL 69 -7.117 2.933 -13.518 505 2HG1 VAL 69 2HG1 VAL 69 -6.082 4.144 -12.745 506 3HG1 VAL 69 3HG1 VAL 69 -5.436 3.104 -14.027 507 1HG2 VAL 69 1HG2 VAL 69 -5.397 0.446 -13.511 508 2HG2 VAL 69 2HG2 VAL 69 -5.822 -0.033 -11.846 509 3HG2 VAL 69 3HG2 VAL 69 -7.055 0.622 -12.915 510 H GLY 70 H GLY 70 -3.028 0.189 -11.842 511 1HA GLY 70 1HA GLY 70 -1.466 -0.752 -13.306 512 2HA GLY 70 2HA GLY 70 -1.700 0.624 -14.408 513 H ALA 71 H ALA 71 -1.063 2.093 -11.616 514 HA ALA 71 HA ALA 71 1.880 2.176 -11.992 515 1HB ALA 71 1HB ALA 71 0.287 3.448 -9.730 516 2HB ALA 71 2HB ALA 71 1.983 3.708 -10.140 517 3HB ALA 71 3HB ALA 71 0.720 4.261 -11.252 518 H ILE 72 H ILE 72 -0.595 1.084 -9.478 519 HA ILE 72 HA ILE 72 1.038 -1.333 -9.187 520 HB ILE 72 HB ILE 72 -0.588 -0.240 -6.920 521 1HG1 ILE 72 1HG1 ILE 72 1.927 0.433 -6.183 522 2HG1 ILE 72 2HG1 ILE 72 2.089 0.815 -7.837 523 1HG2 ILE 72 1HG2 ILE 72 0.230 -2.597 -6.855 524 2HG2 ILE 72 2HG2 ILE 72 1.895 -2.014 -7.052 525 3HG2 ILE 72 3HG2 ILE 72 0.953 -1.628 -5.591 526 1HD1 ILE 72 1HD1 ILE 72 -0.322 1.808 -6.205 527 2HD1 ILE 72 2HD1 ILE 72 1.211 2.609 -6.126 528 3HD1 ILE 72 3HD1 ILE 72 0.369 2.534 -7.674 529 H LEU 73 H LEU 73 -0.274 -3.250 -9.041 530 HA LEU 73 HA LEU 73 -3.130 -2.999 -8.813 531 1HB LEU 73 1HB LEU 73 -1.791 -4.815 -10.804 532 2HB LEU 73 2HB LEU 73 -3.478 -4.867 -10.336 533 HG LEU 73 HG LEU 73 -2.209 -2.364 -11.560 534 1HD1 LEU 73 1HD1 LEU 73 -2.288 -4.376 -13.168 535 2HD1 LEU 73 2HD1 LEU 73 -4.040 -4.318 -12.986 536 3HD1 LEU 73 3HD1 LEU 73 -3.168 -2.930 -13.659 537 1HD2 LEU 73 1HD2 LEU 73 -4.095 -1.671 -10.423 538 2HD2 LEU 73 2HD2 LEU 73 -4.565 -1.816 -12.116 539 3HD2 LEU 73 3HD2 LEU 73 -5.060 -3.077 -10.982 540 H THR 74 H THR 74 -1.212 -6.059 -9.050 541 HA THR 74 HA THR 74 -1.563 -6.326 -6.154 542 HB THR 74 HB THR 74 -0.886 -8.782 -7.000 543 HG1 THR 74 1HG THR 74 -1.378 -9.092 -9.143 544 1HG2 THR 74 1HG2 THR 74 -2.976 -8.125 -5.995 545 2HG2 THR 74 2HG2 THR 74 -3.521 -7.343 -7.473 546 3HG2 THR 74 3HG2 THR 74 -3.279 -9.121 -7.401 547 H ALA 75 H ALA 75 0.035 -8.108 -5.322 548 HA ALA 75 HA ALA 75 2.496 -7.021 -4.800 549 1HB ALA 75 1HB ALA 75 1.512 -9.893 -4.882 550 2HB ALA 75 2HB ALA 75 3.070 -9.422 -4.207 551 3HB ALA 75 3HB ALA 75 1.546 -8.835 -3.476 552 H GLU 76 H GLU 76 2.017 -9.663 -7.258 553 HA GLU 76 HA GLU 76 4.683 -9.325 -8.236 554 1HB GLU 76 1HB GLU 76 3.914 -10.687 -10.142 555 2HB GLU 76 2HB GLU 76 3.547 -11.368 -8.564 556 1HG GLU 76 1HG GLU 76 1.176 -10.241 -8.973 557 2HG GLU 76 2HG GLU 76 1.680 -10.310 -10.661 558 H HIS 77 H HIS 77 2.114 -7.155 -8.526 559 HA HIS 77 HA HIS 77 3.118 -6.038 -11.099 560 1HB HIS 77 1HB HIS 77 0.692 -6.249 -10.654 561 2HB HIS 77 2HB HIS 77 0.881 -5.119 -9.318 562 HD1 HIS 77 1HD HIS 77 2.298 -2.712 -10.280 563 HD2 HIS 77 2HD HIS 77 -0.314 -5.017 -12.588 564 HE1 HIS 77 1HE HIS 77 0.947 -1.076 -11.607 565 H ARG 78 H ARG 78 3.699 -5.865 -7.650 566 HA ARG 78 HA ARG 78 5.002 -3.203 -7.999 567 1HB ARG 78 1HB ARG 78 3.280 -3.643 -6.092 568 2HB ARG 78 2HB ARG 78 4.565 -4.515 -5.313 569 1HG ARG 78 1HG ARG 78 4.404 -1.556 -6.006 570 2HG ARG 78 2HG ARG 78 4.505 -2.308 -4.440 571 1HD ARG 78 1HD ARG 78 6.746 -2.229 -4.391 572 2HD ARG 78 2HD ARG 78 6.950 -2.938 -5.936 573 HE ARG 78 HE ARG 78 7.073 -0.137 -5.272 574 1HH1 ARG 78 2HH2 ARG 78 6.860 -2.418 -8.060 575 2HH1 ARG 78 1HH2 ARG 78 6.865 -1.112 -9.201 576 1HH2 ARG 78 2HH1 ARG 78 7.838 1.349 -6.906 577 2HH2 ARG 78 1HH1 ARG 78 7.570 0.952 -8.552 578 H LEU 79 H LEU 79 5.562 -6.313 -6.208 579 HA LEU 79 HA LEU 79 8.400 -5.934 -6.170 580 1HB LEU 79 1HB LEU 79 6.888 -8.351 -5.191 581 2HB LEU 79 2HB LEU 79 8.268 -7.547 -4.523 582 HG LEU 79 HG LEU 79 5.346 -6.940 -4.243 583 1HD1 LEU 79 1HD1 LEU 79 6.439 -8.675 -2.828 584 2HD1 LEU 79 2HD1 LEU 79 7.619 -7.509 -2.250 585 3HD1 LEU 79 3HD1 LEU 79 5.942 -7.302 -1.800 586 1HD2 LEU 79 1HD2 LEU 79 6.822 -4.730 -4.347 587 2HD2 LEU 79 2HD2 LEU 79 5.489 -4.980 -3.209 588 3HD2 LEU 79 3HD2 LEU 79 7.158 -5.184 -2.671 589 H GLU 80 H GLU 80 9.366 -8.430 -6.150 590 HA GLU 80 HA GLU 80 9.363 -9.562 -8.775 591 1HB GLU 80 1HB GLU 80 10.715 -11.245 -7.725 592 2HB GLU 80 2HB GLU 80 11.178 -9.696 -7.027 593 1HG GLU 80 1HG GLU 80 9.009 -11.064 -5.502 594 2HG GLU 80 2HG GLU 80 10.441 -12.024 -5.642 595 H GLY 81 H GLY 81 6.843 -9.629 -6.539 596 1HA GLY 81 1HA GLY 81 4.866 -10.928 -6.745 597 2HA GLY 81 2HA GLY 81 5.843 -12.246 -7.354 598 H ARG 82 H ARG 82 5.286 -10.270 -4.442 599 HA ARG 82 HA ARG 82 4.875 -12.737 -2.939 600 1HB ARG 82 1HB ARG 82 6.925 -10.719 -1.913 601 2HB ARG 82 2HB ARG 82 5.985 -11.765 -0.855 602 1HG ARG 82 1HG ARG 82 7.807 -13.096 -1.063 603 2HG ARG 82 2HG ARG 82 6.849 -13.705 -2.417 604 1HD ARG 82 1HD ARG 82 8.160 -11.737 -3.693 605 2HD ARG 82 2HD ARG 82 9.315 -11.973 -2.387 606 HE ARG 82 HE ARG 82 8.336 -14.066 -4.305 607 1HH1 ARG 82 1HH2 ARG 82 11.347 -12.498 -3.291 608 2HH1 ARG 82 2HH2 ARG 82 11.118 -13.532 -2.029 609 1HH2 ARG 82 2HH1 ARG 82 9.917 -15.596 -5.047 610 2HH2 ARG 82 1HH1 ARG 82 11.547 -15.540 -4.427 611 H PHE 83 H PHE 83 5.195 -9.383 -1.762 612 HA PHE 83 HA PHE 83 2.289 -9.383 -1.108 613 1HB PHE 83 1HB PHE 83 4.505 -8.194 0.571 614 2HB PHE 83 2HB PHE 83 2.840 -8.555 1.026 615 HD1 PHE 83 1HD PHE 83 2.613 -11.433 0.069 616 HD2 PHE 83 2HD PHE 83 5.779 -9.362 2.166 617 HE1 PHE 83 1HE PHE 83 3.257 -13.536 1.160 618 HE2 PHE 83 2HE PHE 83 6.440 -11.499 3.221 619 HZ PHE 83 HZ PHE 83 5.122 -13.556 2.761 620 H THR 84 H THR 84 2.125 -6.792 -0.066 621 HA THR 84 HA THR 84 3.749 -4.958 -1.660 622 HB THR 84 HB THR 84 0.891 -5.509 -2.245 623 HG1 THR 84 1HG THR 84 2.746 -5.857 -3.531 624 1HG2 THR 84 1HG2 THR 84 0.546 -3.220 -1.398 625 2HG2 THR 84 2HG2 THR 84 1.970 -2.656 -2.304 626 3HG2 THR 84 3HG2 THR 84 0.518 -3.218 -3.166 627 H VAL 85 H VAL 85 4.417 -3.494 -0.284 628 HA VAL 85 HA VAL 85 3.119 -2.961 2.287 629 HB VAL 85 HB VAL 85 5.694 -2.316 0.839 630 1HG1 VAL 85 1HG1 VAL 85 5.162 -0.057 1.497 631 2HG1 VAL 85 2HG1 VAL 85 4.630 -0.578 3.069 632 3HG1 VAL 85 3HG1 VAL 85 6.359 -0.688 2.633 633 1HG2 VAL 85 1HG2 VAL 85 6.639 -2.990 3.031 634 2HG2 VAL 85 2HG2 VAL 85 4.992 -3.336 3.593 635 3HG2 VAL 85 3HG2 VAL 85 5.665 -4.240 2.225 636 H ILE 86 H ILE 86 2.020 -1.127 2.714 637 HA ILE 86 HA ILE 86 1.694 1.043 0.691 638 HB ILE 86 HB ILE 86 -0.119 -0.265 2.767 639 1HG1 ILE 86 1HG1 ILE 86 -0.103 -1.533 0.668 640 2HG1 ILE 86 2HG1 ILE 86 -1.650 -0.691 0.779 641 1HG2 ILE 86 1HG2 ILE 86 -1.957 1.289 1.970 642 2HG2 ILE 86 2HG2 ILE 86 -0.692 2.004 2.972 643 3HG2 ILE 86 3HG2 ILE 86 -0.689 2.266 1.211 644 1HD1 ILE 86 1HD1 ILE 86 0.733 0.078 -0.962 645 2HD1 ILE 86 2HD1 ILE 86 -0.849 -0.492 -1.493 646 3HD1 ILE 86 3HD1 ILE 86 -0.689 1.099 -0.736 647 H ARG 87 H ARG 87 2.357 3.029 1.569 648 HA ARG 87 HA ARG 87 1.999 3.313 4.515 649 1HB ARG 87 1HB ARG 87 4.208 4.590 2.865 650 2HB ARG 87 2HB ARG 87 3.894 4.849 4.582 651 1HG ARG 87 1HG ARG 87 4.390 2.410 4.971 652 2HG ARG 87 2HG ARG 87 4.807 2.244 3.259 653 1HD ARG 87 1HD ARG 87 6.587 3.870 3.456 654 2HD ARG 87 2HD ARG 87 6.120 4.244 5.118 655 HE ARG 87 HE ARG 87 6.810 2.068 5.840 656 1HH1 ARG 87 2HH2 ARG 87 8.436 3.115 2.873 657 2HH1 ARG 87 1HH2 ARG 87 9.189 1.586 2.574 658 1HH2 ARG 87 2HH1 ARG 87 8.213 0.325 5.764 659 2HH2 ARG 87 1HH1 ARG 87 9.138 -0.074 4.381 660 H ARG 88 H ARG 88 -0.105 4.018 4.084 661 HA ARG 88 HA ARG 88 -0.644 6.225 2.303 662 1HB ARG 88 1HB ARG 88 -1.969 3.938 2.951 663 2HB ARG 88 2HB ARG 88 -2.694 4.969 4.149 664 1HG ARG 88 1HG ARG 88 -2.839 5.063 1.154 665 2HG ARG 88 2HG ARG 88 -4.099 4.753 2.269 666 1HD ARG 88 1HD ARG 88 -4.093 6.920 0.990 667 2HD ARG 88 2HD ARG 88 -4.515 6.926 2.712 668 HE ARG 88 HE ARG 88 -1.780 7.655 2.082 669 1HH1 ARG 88 2HH2 ARG 88 -5.159 9.080 2.191 670 2HH1 ARG 88 1HH2 ARG 88 -4.485 10.624 2.571 671 1HH2 ARG 88 2HH1 ARG 88 -1.159 9.695 2.802 672 2HH2 ARG 88 1HH1 ARG 88 -2.374 10.940 3.057 673 H GLY 89 H GLY 89 0.471 7.974 3.333 674 1HA GLY 89 1HA GLY 89 1.200 8.677 5.709 675 2HA GLY 89 2HA GLY 89 0.435 9.868 4.680 676 H LYS 90 H LYS 90 -2.108 9.755 4.860 677 HA LYS 90 HA LYS 90 -3.078 10.803 7.178 678 1HB LYS 90 1HB LYS 90 -4.355 10.888 5.164 679 2HB LYS 90 2HB LYS 90 -4.328 9.128 4.985 680 1HG LYS 90 1HG LYS 90 -5.891 8.775 6.701 681 2HG LYS 90 2HG LYS 90 -5.897 10.488 7.179 682 1HD LYS 90 1HD LYS 90 -7.147 11.111 5.279 683 2HD LYS 90 2HD LYS 90 -6.644 9.691 4.360 684 1HE LYS 90 1HE LYS 90 -9.011 9.570 5.055 685 2HE LYS 90 2HE LYS 90 -8.043 8.208 5.623 686 1HZ LYS 90 1HZ LYS 90 -8.010 9.181 7.808 687 2HZ LYS 90 2HZ LYS 90 -8.748 10.555 7.279 688 3HZ LYS 90 3HZ LYS 90 -9.575 9.121 7.272 689 H LYS 91 H LYS 91 -2.674 7.387 6.504 690 HA LYS 91 HA LYS 91 -4.169 6.596 8.944 691 1HB LYS 91 1HB LYS 91 -5.160 6.140 6.522 692 2HB LYS 91 2HB LYS 91 -3.860 4.983 6.356 693 1HG LYS 91 1HG LYS 91 -5.677 3.718 7.062 694 2HG LYS 91 2HG LYS 91 -4.770 3.940 8.565 695 1HD LYS 91 1HD LYS 91 -6.306 5.874 9.123 696 2HD LYS 91 2HD LYS 91 -7.225 5.526 7.651 697 1HE LYS 91 1HE LYS 91 -6.894 3.769 10.111 698 2HE LYS 91 2HE LYS 91 -8.366 4.576 9.559 699 1HZ LYS 91 1HZ LYS 91 -8.092 3.139 7.489 700 2HZ LYS 91 2HZ LYS 91 -6.995 2.283 8.342 701 3HZ LYS 91 3HZ LYS 91 -8.558 2.368 8.868 702 H LYS 92 H LYS 92 -2.512 4.004 7.456 703 HA LYS 92 HA LYS 92 0.062 4.789 8.510 704 1HB LYS 92 1HB LYS 92 -1.588 3.728 10.349 705 2HB LYS 92 2HB LYS 92 -1.102 2.222 9.611 706 1HG LYS 92 1HG LYS 92 0.434 2.565 11.412 707 2HG LYS 92 2HG LYS 92 1.361 3.023 9.994 708 1HD LYS 92 1HD LYS 92 1.839 4.751 11.509 709 2HD LYS 92 2HD LYS 92 0.608 5.469 10.481 710 1HE LYS 92 1HE LYS 92 -0.175 6.017 12.619 711 2HE LYS 92 2HE LYS 92 -1.105 4.573 12.233 712 1HZ LYS 92 1HZ LYS 92 -0.239 4.199 14.372 713 2HZ LYS 92 2HZ LYS 92 0.795 3.341 13.429 714 3HZ LYS 92 3HZ LYS 92 1.252 4.791 14.009 715 H TYR 93 H TYR 93 0.690 1.905 8.671 716 HA TYR 93 HA TYR 93 1.663 1.744 5.934 717 1HB TYR 93 1HB TYR 93 2.742 0.912 8.623 718 2HB TYR 93 2HB TYR 93 3.426 0.406 7.113 719 HD1 TYR 93 1HD TYR 93 5.564 1.090 7.803 720 HD2 TYR 93 2HD TYR 93 2.417 4.032 7.419 721 HE1 TYR 93 1HE TYR 93 7.230 2.890 7.972 722 HE2 TYR 93 2HE TYR 93 4.060 5.819 7.539 723 HH TYR 93 HH TYR 93 7.510 5.186 8.265 724 H TYR 94 H TYR 94 0.376 -0.002 4.913 725 HA TYR 94 HA TYR 94 -0.510 -2.330 6.613 726 1HB TYR 94 1HB TYR 94 -1.660 -0.847 4.225 727 2HB TYR 94 2HB TYR 94 -2.219 -2.335 4.841 728 HD1 TYR 94 1HD TYR 94 -2.103 1.277 5.405 729 HD2 TYR 94 2HD TYR 94 -3.378 -2.500 7.070 730 HE1 TYR 94 1HE TYR 94 -3.700 2.460 6.869 731 HE2 TYR 94 2HE TYR 94 -4.961 -1.325 8.540 732 HH TYR 94 HH TYR 94 -5.550 0.794 9.395 733 H LEU 95 H LEU 95 -0.898 -4.170 5.376 734 HA LEU 95 HA LEU 95 1.161 -4.610 3.334 735 1HB LEU 95 1HB LEU 95 2.066 -5.327 5.454 736 2HB LEU 95 2HB LEU 95 0.649 -6.319 5.768 737 HG LEU 95 HG LEU 95 1.252 -7.851 3.957 738 1HD1 LEU 95 1HD1 LEU 95 2.207 -6.482 2.256 739 2HD1 LEU 95 2HD1 LEU 95 3.409 -5.790 3.364 740 3HD1 LEU 95 3HD1 LEU 95 3.532 -7.480 2.832 741 1HD2 LEU 95 1HD2 LEU 95 2.374 -8.197 6.159 742 2HD2 LEU 95 2HD2 LEU 95 3.372 -8.745 4.813 743 3HD2 LEU 95 3HD2 LEU 95 3.727 -7.198 5.622 744 H ILE 96 H ILE 96 0.443 -5.757 1.663 745 HA ILE 96 HA ILE 96 -2.160 -7.218 1.854 746 HB ILE 96 HB ILE 96 -1.125 -5.403 -0.376 747 1HG1 ILE 96 1HG1 ILE 96 -3.634 -4.531 0.117 748 2HG1 ILE 96 2HG1 ILE 96 -3.261 -5.148 1.728 749 1HG2 ILE 96 1HG2 ILE 96 -2.102 -7.281 -1.477 750 2HG2 ILE 96 2HG2 ILE 96 -3.449 -7.369 -0.333 751 3HG2 ILE 96 3HG2 ILE 96 -3.325 -6.024 -1.488 752 1HD1 ILE 96 1HD1 ILE 96 -2.794 -2.747 1.478 753 2HD1 ILE 96 2HD1 ILE 96 -1.290 -3.621 1.811 754 3HD1 ILE 96 3HD1 ILE 96 -1.667 -3.107 0.152 755 H ARG 97 H ARG 97 -2.032 -9.303 1.206 756 HA ARG 97 HA ARG 97 -0.013 -10.096 -0.779 757 1HB ARG 97 1HB ARG 97 0.010 -12.287 0.550 758 2HB ARG 97 2HB ARG 97 0.910 -10.944 1.197 759 1HG ARG 97 1HG ARG 97 -0.768 -10.515 2.869 760 2HG ARG 97 2HG ARG 97 -1.814 -11.790 2.221 761 1HD ARG 97 1HD ARG 97 0.996 -12.257 3.299 762 2HD ARG 97 2HD ARG 97 -0.465 -12.297 4.291 763 HE ARG 97 HE ARG 97 -0.516 -14.083 1.957 764 1HH1 ARG 97 2HH2 ARG 97 0.077 -13.790 5.477 765 2HH1 ARG 97 1HH2 ARG 97 0.470 -15.472 5.648 766 1HH2 ARG 97 2HH1 ARG 97 -0.447 -16.392 2.361 767 2HH2 ARG 97 1HH1 ARG 97 -0.194 -16.949 3.968 768 H TYR 98 H TYR 98 -0.712 -12.391 -1.666 769 HA TYR 98 HA TYR 98 -3.603 -12.610 -1.747 770 1HB TYR 98 1HB TYR 98 -2.948 -13.825 -3.993 771 2HB TYR 98 2HB TYR 98 -3.339 -12.121 -3.955 772 HD1 TYR 98 1HD TYR 98 -2.270 -11.443 -5.927 773 HD2 TYR 98 2HD TYR 98 -0.061 -13.771 -3.021 774 HE1 TYR 98 1HE TYR 98 -0.160 -11.056 -7.181 775 HE2 TYR 98 2HE TYR 98 1.997 -13.374 -4.233 776 HH TYR 98 HH TYR 98 2.823 -12.742 -6.304 777 H ALA 99 H ALA 99 -4.236 -14.813 -2.314 778 HA ALA 99 HA ALA 99 -2.330 -16.871 -1.763 779 1HB ALA 99 1HB ALA 99 -4.902 -16.688 -0.153 780 2HB ALA 99 2HB ALA 99 -3.880 -18.139 -0.244 781 3HB ALA 99 3HB ALA 99 -3.240 -16.647 0.471 Start of MODEL 13 1 1H ALA 1 1H ALA 1 15.570 -10.598 -1.914 2 2H ALA 1 2H ALA 1 16.328 -9.544 -0.884 3 3H ALA 1 3H ALA 1 15.722 -8.998 -2.314 4 HA ALA 1 HA ALA 1 17.786 -11.060 -2.142 5 1HB ALA 1 1HB ALA 1 16.557 -10.792 -4.320 6 2HB ALA 1 2HB ALA 1 17.127 -9.112 -4.406 7 3HB ALA 1 3HB ALA 1 18.286 -10.448 -4.453 8 H LEU 2 H LEU 2 20.033 -10.180 -2.771 9 HA LEU 2 HA LEU 2 20.822 -8.052 -1.024 10 1HB LEU 2 1HB LEU 2 22.204 -9.986 -2.177 11 2HB LEU 2 2HB LEU 2 22.314 -8.893 -3.537 12 HG LEU 2 HG LEU 2 23.216 -7.168 -1.703 13 1HD1 LEU 2 1HD1 LEU 2 24.471 -8.339 0.097 14 2HD1 LEU 2 2HD1 LEU 2 22.728 -8.541 0.260 15 3HD1 LEU 2 3HD1 LEU 2 23.688 -9.872 -0.386 16 1HD2 LEU 2 1HD2 LEU 2 24.849 -9.561 -2.664 17 2HD2 LEU 2 2HD2 LEU 2 24.545 -8.075 -3.585 18 3HD2 LEU 2 3HD2 LEU 2 25.506 -8.003 -2.108 19 H PHE 3 H PHE 3 20.290 -8.249 -4.542 20 HA PHE 3 HA PHE 3 20.003 -5.312 -4.859 21 1HB PHE 3 1HB PHE 3 21.920 -7.273 -6.170 22 2HB PHE 3 2HB PHE 3 21.297 -5.928 -7.084 23 HD1 PHE 3 1HD PHE 3 22.790 -6.305 -3.640 24 HD2 PHE 3 2HD PHE 3 22.855 -4.239 -7.409 25 HE1 PHE 3 1HE PHE 3 24.539 -4.844 -2.774 26 HE2 PHE 3 2HE PHE 3 24.686 -2.815 -6.572 27 HZ PHE 3 HZ PHE 3 25.516 -3.071 -4.241 28 H SER 4 H SER 4 18.284 -4.861 -6.213 29 HA SER 4 HA SER 4 17.773 -6.513 -8.503 30 1HB SER 4 1HB SER 4 15.255 -6.537 -8.099 31 2HB SER 4 2HB SER 4 16.219 -7.720 -7.224 32 HG SER 4 HG SER 4 15.219 -5.279 -6.113 33 H GLY 5 H GLY 5 15.905 -5.260 -9.818 34 1HA GLY 5 1HA GLY 5 16.408 -2.355 -9.764 35 2HA GLY 5 2HA GLY 5 15.307 -3.263 -10.822 36 H ASP 6 H ASP 6 14.122 -4.822 -8.693 37 HA ASP 6 HA ASP 6 12.109 -3.001 -7.667 38 1HB ASP 6 1HB ASP 6 12.637 -5.939 -6.966 39 2HB ASP 6 2HB ASP 6 11.158 -5.048 -6.611 40 H ILE 7 H ILE 7 11.468 -3.263 -5.356 41 HA ILE 7 HA ILE 7 13.368 -2.525 -3.342 42 HB ILE 7 HB ILE 7 11.519 -3.057 -1.875 43 1HG1 ILE 7 1HG1 ILE 7 9.592 -3.288 -4.214 44 2HG1 ILE 7 2HG1 ILE 7 10.467 -4.744 -3.829 45 1HG2 ILE 7 1HG2 ILE 7 10.072 -1.236 -2.533 46 2HG2 ILE 7 2HG2 ILE 7 11.757 -0.820 -2.855 47 3HG2 ILE 7 3HG2 ILE 7 10.680 -1.289 -4.198 48 1HD1 ILE 7 1HD1 ILE 7 8.164 -4.311 -2.735 49 2HD1 ILE 7 2HD1 ILE 7 9.434 -5.030 -1.786 50 3HD1 ILE 7 3HD1 ILE 7 9.028 -3.288 -1.612 51 H ALA 8 H ALA 8 15.096 -3.876 -3.483 52 HA ALA 8 HA ALA 8 14.743 -6.723 -3.119 53 1HB ALA 8 1HB ALA 8 16.975 -6.891 -3.707 54 2HB ALA 8 2HB ALA 8 16.823 -5.188 -4.173 55 3HB ALA 8 3HB ALA 8 17.452 -5.619 -2.576 56 H ASN 9 H ASN 9 15.317 -4.056 -1.168 57 HA ASN 9 HA ASN 9 16.261 -5.417 1.192 58 1HB ASN 9 1HB ASN 9 15.200 -2.613 0.557 59 2HB ASN 9 2HB ASN 9 15.546 -3.107 2.194 60 1HD2 ASN 9 1HD2 ASN 9 17.007 -2.462 -0.972 61 2HD2 ASN 9 2HD2 ASN 9 18.644 -2.388 -0.402 62 H LEU 10 H LEU 10 13.131 -4.819 -0.199 63 HA LEU 10 HA LEU 10 11.654 -5.174 2.363 64 1HB LEU 10 1HB LEU 10 11.077 -4.521 -0.495 65 2HB LEU 10 2HB LEU 10 9.820 -4.825 0.649 66 HG LEU 10 HG LEU 10 10.175 -2.512 0.175 67 1HD1 LEU 10 1HD1 LEU 10 10.590 -3.232 3.097 68 2HD1 LEU 10 2HD1 LEU 10 9.969 -1.679 2.495 69 3HD1 LEU 10 3HD1 LEU 10 9.046 -3.160 2.210 70 1HD2 LEU 10 1HD2 LEU 10 11.939 -1.144 1.074 71 2HD2 LEU 10 2HD2 LEU 10 12.723 -2.547 1.820 72 3HD2 LEU 10 3HD2 LEU 10 12.658 -2.383 0.047 73 H THR 11 H THR 11 12.779 -7.500 2.433 74 HA THR 11 HA THR 11 11.655 -9.409 0.575 75 HB THR 11 HB THR 11 12.835 -10.774 2.718 76 HG1 THR 11 1HG THR 11 14.223 -9.399 3.667 77 1HG2 THR 11 1HG2 THR 11 14.762 -10.943 1.105 78 2HG2 THR 11 2HG2 THR 11 13.218 -11.090 0.249 79 3HG2 THR 11 3HG2 THR 11 14.119 -9.561 0.201 80 H ALA 12 H ALA 12 10.781 -11.415 1.963 81 HA ALA 12 HA ALA 12 8.079 -10.431 2.529 82 1HB ALA 12 1HB ALA 12 8.464 -12.539 1.235 83 2HB ALA 12 2HB ALA 12 9.304 -13.253 2.631 84 3HB ALA 12 3HB ALA 12 7.583 -12.913 2.728 85 H ALA 13 H ALA 13 10.561 -11.851 4.634 86 HA ALA 13 HA ALA 13 8.662 -11.458 6.909 87 1HB ALA 13 1HB ALA 13 10.487 -12.073 8.365 88 2HB ALA 13 2HB ALA 13 10.172 -13.313 7.154 89 3HB ALA 13 3HB ALA 13 11.585 -12.233 6.994 90 H GLU 14 H GLU 14 11.002 -9.599 5.064 91 HA GLU 14 HA GLU 14 11.644 -7.798 7.207 92 1HB GLU 14 1HB GLU 14 12.321 -8.330 4.384 93 2HB GLU 14 2HB GLU 14 11.906 -6.646 4.522 94 1HG GLU 14 1HG GLU 14 14.289 -6.839 4.833 95 2HG GLU 14 2HG GLU 14 13.599 -6.449 6.415 96 H ILE 15 H ILE 15 9.298 -7.964 4.487 97 HA ILE 15 HA ILE 15 8.023 -5.540 5.231 98 HB ILE 15 HB ILE 15 7.576 -7.858 3.306 99 1HG1 ILE 15 1HG1 ILE 15 7.542 -4.839 3.054 100 2HG1 ILE 15 2HG1 ILE 15 8.982 -5.809 2.840 101 1HG2 ILE 15 1HG2 ILE 15 5.358 -7.622 4.249 102 2HG2 ILE 15 2HG2 ILE 15 5.422 -5.856 4.033 103 3HG2 ILE 15 3HG2 ILE 15 5.404 -6.955 2.641 104 1HD1 ILE 15 1HD1 ILE 15 8.139 -6.811 0.830 105 2HD1 ILE 15 2HD1 ILE 15 6.504 -6.152 1.074 106 3HD1 ILE 15 3HD1 ILE 15 7.796 -5.065 0.705 107 H GLU 16 H GLU 16 7.060 -9.016 5.819 108 HA GLU 16 HA GLU 16 4.848 -8.291 7.370 109 1HB GLU 16 1HB GLU 16 6.731 -10.608 7.453 110 2HB GLU 16 2HB GLU 16 5.593 -10.424 8.781 111 1HG GLU 16 1HG GLU 16 4.753 -10.474 5.852 112 2HG GLU 16 2HG GLU 16 4.770 -11.902 6.891 113 H GLN 17 H GLN 17 8.267 -8.626 8.708 114 HA GLN 17 HA GLN 17 7.116 -7.794 11.300 115 1HB GLN 17 1HB GLN 17 8.589 -9.637 11.328 116 2HB GLN 17 2HB GLN 17 9.820 -8.759 10.404 117 1HG GLN 17 1HG GLN 17 10.426 -9.028 12.734 118 2HG GLN 17 2HG GLN 17 10.332 -7.338 12.257 119 1HE2 GLN 17 1HE2 GLN 17 9.991 -6.542 14.429 120 2HE2 GLN 17 2HE2 GLN 17 8.559 -6.891 15.341 121 H GLY 18 H GLY 18 8.477 -6.295 8.444 122 1HA GLY 18 1HA GLY 18 9.523 -3.977 9.737 123 2HA GLY 18 2HA GLY 18 9.088 -4.179 8.037 124 H PHE 19 H PHE 19 6.338 -5.062 8.488 125 HA PHE 19 HA PHE 19 5.216 -2.415 9.293 126 1HB PHE 19 1HB PHE 19 4.456 -4.266 7.026 127 2HB PHE 19 2HB PHE 19 3.732 -2.711 7.391 128 HD1 PHE 19 1HD PHE 19 5.588 -0.698 7.698 129 HD2 PHE 19 2HD PHE 19 6.190 -4.288 5.437 130 HE1 PHE 19 1HE PHE 19 7.428 0.387 6.484 131 HE2 PHE 19 2HE PHE 19 8.194 -3.266 4.369 132 HZ PHE 19 HZ PHE 19 8.784 -0.926 4.833 133 H LYS 20 H LYS 20 5.164 -5.505 10.413 134 HA LYS 20 HA LYS 20 2.515 -6.000 10.886 135 1HB LYS 20 1HB LYS 20 5.018 -7.091 11.869 136 2HB LYS 20 2HB LYS 20 3.946 -6.918 13.230 137 1HG LYS 20 1HG LYS 20 2.117 -8.053 11.849 138 2HG LYS 20 2HG LYS 20 3.368 -8.412 10.646 139 1HD LYS 20 1HD LYS 20 4.654 -9.626 12.461 140 2HD LYS 20 2HD LYS 20 3.317 -9.265 13.564 141 1HE LYS 20 1HE LYS 20 2.863 -11.451 12.895 142 2HE LYS 20 2HE LYS 20 1.774 -10.485 11.892 143 1HZ LYS 20 1HZ LYS 20 2.952 -12.243 10.695 144 2HZ LYS 20 2HZ LYS 20 3.295 -10.763 10.062 145 3HZ LYS 20 3HZ LYS 20 4.395 -11.548 11.025 146 H ASP 21 H ASP 21 3.648 -3.169 11.981 147 HA ASP 21 HA ASP 21 2.149 -3.046 14.523 148 1HB ASP 21 1HB ASP 21 4.134 -1.593 14.120 149 2HB ASP 21 2HB ASP 21 3.279 -0.835 12.762 150 H VAL 22 H VAL 22 1.399 -3.087 11.145 151 HA VAL 22 HA VAL 22 -1.387 -2.316 11.753 152 HB VAL 22 HB VAL 22 -0.615 -2.063 8.942 153 1HG1 VAL 22 1HG1 VAL 22 -2.653 -1.008 10.179 154 2HG1 VAL 22 2HG1 VAL 22 -1.520 0.200 10.744 155 3HG1 VAL 22 3HG1 VAL 22 -1.782 -0.029 8.998 156 1HG2 VAL 22 1HG2 VAL 22 1.578 -1.320 9.696 157 2HG2 VAL 22 2HG2 VAL 22 0.669 0.082 9.154 158 3HG2 VAL 22 3HG2 VAL 22 0.863 -0.218 10.885 159 HA PRO 23 HA PRO 23 -1.941 -6.444 10.274 160 1HB PRO 23 1HB PRO 23 -4.455 -6.567 9.240 161 2HB PRO 23 2HB PRO 23 -4.158 -6.254 10.967 162 1HG PRO 23 1HG PRO 23 -4.823 -4.309 8.773 163 2HG PRO 23 2HG PRO 23 -5.395 -4.350 10.469 164 1HD PRO 23 1HD PRO 23 -3.282 -2.805 9.403 165 2HD PRO 23 2HD PRO 23 -3.541 -3.095 11.156 166 H SER 24 H SER 24 -2.703 -7.706 8.418 167 HA SER 24 HA SER 24 -1.762 -6.590 5.851 168 1HB SER 24 1HB SER 24 -1.007 -8.919 5.328 169 2HB SER 24 2HB SER 24 -0.166 -8.195 6.703 170 HG SER 24 HG SER 24 -1.856 -9.333 8.024 171 H PHE 25 H PHE 25 -2.790 -7.917 3.913 172 HA PHE 25 HA PHE 25 -5.259 -9.287 4.672 173 1HB PHE 25 1HB PHE 25 -5.811 -6.945 4.021 174 2HB PHE 25 2HB PHE 25 -5.085 -7.235 2.436 175 HD1 PHE 25 1HD PHE 25 -6.307 -8.688 0.790 176 HD2 PHE 25 2HD PHE 25 -7.931 -7.870 4.714 177 HE1 PHE 25 1HE PHE 25 -8.526 -9.581 0.090 178 HE2 PHE 25 2HE PHE 25 -10.130 -8.704 3.974 179 HZ PHE 25 HZ PHE 25 -10.419 -9.578 1.651 180 H VAL 26 H VAL 26 -5.861 -10.719 2.988 181 HA VAL 26 HA VAL 26 -3.830 -11.322 1.004 182 HB VAL 26 HB VAL 26 -3.468 -12.667 3.011 183 1HG1 VAL 26 1HG1 VAL 26 -4.903 -14.512 3.620 184 2HG1 VAL 26 2HG1 VAL 26 -5.789 -12.982 3.778 185 3HG1 VAL 26 3HG1 VAL 26 -6.084 -14.046 2.386 186 1HG2 VAL 26 1HG2 VAL 26 -2.721 -13.495 0.840 187 2HG2 VAL 26 2HG2 VAL 26 -3.404 -14.859 1.750 188 3HG2 VAL 26 3HG2 VAL 26 -4.350 -14.093 0.466 189 H HIS 27 H HIS 27 -4.782 -11.573 -0.965 190 HA HIS 27 HA HIS 27 -7.684 -12.188 -1.039 191 1HB HIS 27 1HB HIS 27 -7.558 -11.094 -3.342 192 2HB HIS 27 2HB HIS 27 -7.662 -10.090 -1.905 193 HD1 HIS 27 1HD HIS 27 -6.608 -7.961 -2.754 194 HD2 HIS 27 2HD HIS 27 -4.444 -11.445 -3.683 195 HE1 HIS 27 1HE HIS 27 -4.610 -7.243 -4.189 196 H GLU 28 H GLU 28 -8.225 -13.456 -2.854 197 HA GLU 28 HA GLU 28 -6.432 -15.789 -2.843 198 1HB GLU 28 1HB GLU 28 -9.270 -15.594 -3.943 199 2HB GLU 28 2HB GLU 28 -8.271 -17.034 -3.946 200 1HG GLU 28 1HG GLU 28 -9.456 -17.508 -2.121 201 2HG GLU 28 2HG GLU 28 -8.067 -16.722 -1.390 202 H GLY 29 H GLY 29 -5.194 -13.891 -4.302 203 1HA GLY 29 1HA GLY 29 -3.873 -13.875 -6.215 204 2HA GLY 29 2HA GLY 29 -4.674 -15.359 -6.737 205 H GLY 30 H GLY 30 -4.137 -13.934 -8.795 206 1HA GLY 30 1HA GLY 30 -4.989 -12.929 -10.628 207 2HA GLY 30 2HA GLY 30 -6.483 -12.487 -9.770 208 H ASP 31 H ASP 31 -4.602 -10.758 -11.195 209 HA ASP 31 HA ASP 31 -3.528 -9.069 -9.105 210 1HB ASP 31 1HB ASP 31 -3.051 -7.388 -10.500 211 2HB ASP 31 2HB ASP 31 -2.749 -8.838 -11.451 212 H VAL 32 H VAL 32 -4.424 -6.695 -8.790 213 HA VAL 32 HA VAL 32 -7.311 -6.700 -8.514 214 HB VAL 32 HB VAL 32 -5.522 -6.937 -6.170 215 1HG1 VAL 32 1HG1 VAL 32 -8.572 -6.665 -6.211 216 2HG1 VAL 32 2HG1 VAL 32 -7.585 -6.825 -4.747 217 3HG1 VAL 32 3HG1 VAL 32 -7.452 -5.373 -5.741 218 1HG2 VAL 32 1HG2 VAL 32 -5.883 -9.187 -6.874 219 2HG2 VAL 32 2HG2 VAL 32 -6.997 -8.964 -5.537 220 3HG2 VAL 32 3HG2 VAL 32 -7.607 -8.882 -7.197 221 HA PRO 33 HA PRO 33 -5.728 -2.630 -8.889 222 1HB PRO 33 1HB PRO 33 -8.027 -1.160 -8.978 223 2HB PRO 33 2HB PRO 33 -7.571 -2.284 -10.298 224 1HG PRO 33 1HG PRO 33 -9.409 -2.791 -7.965 225 2HG PRO 33 2HG PRO 33 -9.723 -3.139 -9.692 226 1HD PRO 33 1HD PRO 33 -8.811 -5.050 -7.913 227 2HD PRO 33 2HD PRO 33 -8.307 -5.061 -9.630 228 H LEU 34 H LEU 34 -5.062 -0.999 -7.607 229 HA LEU 34 HA LEU 34 -4.889 -0.881 -5.038 230 1HB LEU 34 1HB LEU 34 -3.905 0.339 -6.966 231 2HB LEU 34 2HB LEU 34 -5.355 1.320 -7.100 232 HG LEU 34 HG LEU 34 -4.840 2.454 -5.165 233 1HD1 LEU 34 1HD1 LEU 34 -3.935 0.745 -3.655 234 2HD1 LEU 34 2HD1 LEU 34 -2.487 0.598 -4.681 235 3HD1 LEU 34 3HD1 LEU 34 -2.796 2.094 -3.772 236 1HD2 LEU 34 1HD2 LEU 34 -2.422 2.090 -6.919 237 2HD2 LEU 34 2HD2 LEU 34 -3.732 3.249 -7.125 238 3HD2 LEU 34 3HD2 LEU 34 -2.589 3.439 -5.777 239 H VAL 35 H VAL 35 -7.726 0.455 -6.756 240 HA VAL 35 HA VAL 35 -9.031 1.392 -4.312 241 HB VAL 35 HB VAL 35 -9.008 2.658 -6.403 242 1HG1 VAL 35 1HG1 VAL 35 -9.111 0.833 -8.064 243 2HG1 VAL 35 2HG1 VAL 35 -10.784 0.479 -7.586 244 3HG1 VAL 35 3HG1 VAL 35 -10.364 2.032 -8.343 245 1HG2 VAL 35 1HG2 VAL 35 -11.877 1.938 -5.765 246 2HG2 VAL 35 2HG2 VAL 35 -10.857 3.022 -4.786 247 3HG2 VAL 35 3HG2 VAL 35 -11.248 3.442 -6.465 248 H GLU 36 H GLU 36 -8.895 -1.699 -5.583 249 HA GLU 36 HA GLU 36 -11.289 -2.305 -3.937 250 1HB GLU 36 1HB GLU 36 -9.875 -4.020 -6.021 251 2HB GLU 36 2HB GLU 36 -11.149 -4.581 -4.959 252 1HG GLU 36 1HG GLU 36 -11.389 -2.575 -7.219 253 2HG GLU 36 2HG GLU 36 -12.206 -4.124 -7.033 254 H LEU 37 H LEU 37 -7.675 -2.660 -4.091 255 HA LEU 37 HA LEU 37 -7.905 -4.866 -2.209 256 1HB LEU 37 1HB LEU 37 -5.484 -4.965 -2.311 257 2HB LEU 37 2HB LEU 37 -6.143 -4.884 -3.929 258 HG LEU 37 HG LEU 37 -5.673 -2.286 -3.677 259 1HD1 LEU 37 1HD1 LEU 37 -3.654 -1.731 -2.456 260 2HD1 LEU 37 2HD1 LEU 37 -4.766 -2.439 -1.279 261 3HD1 LEU 37 3HD1 LEU 37 -3.461 -3.415 -1.948 262 1HD2 LEU 37 1HD2 LEU 37 -4.677 -3.703 -5.370 263 2HD2 LEU 37 2HD2 LEU 37 -3.420 -2.672 -4.699 264 3HD2 LEU 37 3HD2 LEU 37 -3.525 -4.375 -4.215 265 H LEU 38 H LEU 38 -7.473 -1.284 -2.122 266 HA LEU 38 HA LEU 38 -6.424 -1.557 0.480 267 1HB LEU 38 1HB LEU 38 -5.512 0.400 0.165 268 2HB LEU 38 2HB LEU 38 -5.950 0.244 -1.505 269 HG LEU 38 HG LEU 38 -7.579 1.667 0.597 270 1HD1 LEU 38 1HD1 LEU 38 -6.703 3.780 -0.412 271 2HD1 LEU 38 2HD1 LEU 38 -5.379 2.772 0.190 272 3HD1 LEU 38 3HD1 LEU 38 -5.719 2.795 -1.524 273 1HD2 LEU 38 1HD2 LEU 38 -8.209 1.139 -2.201 274 2HD2 LEU 38 2HD2 LEU 38 -9.242 1.561 -0.837 275 3HD2 LEU 38 3HD2 LEU 38 -8.397 2.835 -1.709 276 H VAL 39 H VAL 39 -9.489 -1.070 -1.086 277 HA VAL 39 HA VAL 39 -10.994 -0.194 1.234 278 HB VAL 39 HB VAL 39 -11.332 -1.005 -1.586 279 1HG1 VAL 39 1HG1 VAL 39 -12.930 -2.676 -0.740 280 2HG1 VAL 39 2HG1 VAL 39 -13.686 -1.465 0.316 281 3HG1 VAL 39 3HG1 VAL 39 -13.840 -1.358 -1.447 282 1HG2 VAL 39 1HG2 VAL 39 -12.956 1.015 -0.060 283 2HG2 VAL 39 2HG2 VAL 39 -11.431 1.321 -0.922 284 3HG2 VAL 39 3HG2 VAL 39 -12.841 0.795 -1.817 285 H SER 40 H SER 40 -10.373 -3.348 -0.415 286 HA SER 40 HA SER 40 -11.853 -4.842 1.479 287 1HB SER 40 1HB SER 40 -10.984 -5.450 -0.961 288 2HB SER 40 2HB SER 40 -9.552 -6.002 -0.097 289 HG SER 40 HG SER 40 -11.789 -7.307 -0.460 290 H ALA 41 H ALA 41 -8.348 -3.900 1.203 291 HA ALA 41 HA ALA 41 -7.768 -5.569 3.527 292 1HB ALA 41 1HB ALA 41 -6.089 -5.302 1.824 293 2HB ALA 41 2HB ALA 41 -6.039 -3.567 2.054 294 3HB ALA 41 3HB ALA 41 -5.483 -4.635 3.356 295 H GLY 42 H GLY 42 -8.924 -2.236 3.175 296 1HA GLY 42 1HA GLY 42 -10.232 -1.502 5.014 297 2HA GLY 42 2HA GLY 42 -9.186 -2.373 6.135 298 H ILE 43 H ILE 43 -7.798 -0.593 3.568 299 HA ILE 43 HA ILE 43 -6.341 1.259 5.285 300 HB ILE 43 HB ILE 43 -6.561 0.765 2.300 301 1HG1 ILE 43 1HG1 ILE 43 -4.348 -0.057 2.179 302 2HG1 ILE 43 2HG1 ILE 43 -4.018 0.325 3.850 303 1HG2 ILE 43 1HG2 ILE 43 -4.789 2.746 3.822 304 2HG2 ILE 43 2HG2 ILE 43 -4.461 2.291 2.147 305 3HG2 ILE 43 3HG2 ILE 43 -5.973 3.123 2.533 306 1HD1 ILE 43 1HD1 ILE 43 -5.458 -1.492 4.597 307 2HD1 ILE 43 2HD1 ILE 43 -6.118 -1.661 2.955 308 3HD1 ILE 43 3HD1 ILE 43 -4.436 -2.121 3.291 309 H SER 44 H SER 44 -9.106 1.322 2.756 310 HA SER 44 HA SER 44 -10.216 3.588 4.232 311 1HB SER 44 1HB SER 44 -8.422 4.582 2.686 312 2HB SER 44 2HB SER 44 -9.416 4.024 1.351 313 HG SER 44 HG SER 44 -9.577 6.250 2.582 314 HA PRO 45 HA PRO 45 -13.190 0.860 2.226 315 1HB PRO 45 1HB PRO 45 -15.197 0.883 4.052 316 2HB PRO 45 2HB PRO 45 -13.644 0.038 4.360 317 1HG PRO 45 1HG PRO 45 -14.474 2.810 5.280 318 2HG PRO 45 2HG PRO 45 -13.751 1.492 6.257 319 1HD PRO 45 1HD PRO 45 -12.268 3.533 5.152 320 2HD PRO 45 2HD PRO 45 -11.613 1.880 5.369 321 H SER 46 H SER 46 -13.534 4.220 2.893 322 HA SER 46 HA SER 46 -16.345 4.338 1.945 323 1HB SER 46 1HB SER 46 -15.853 5.644 3.895 324 2HB SER 46 2HB SER 46 -14.507 6.416 3.052 325 HG SER 46 HG SER 46 -16.563 7.610 3.130 326 H LYS 47 H LYS 47 -16.248 3.984 -0.341 327 HA LYS 47 HA LYS 47 -13.894 4.235 -1.668 328 1HB LYS 47 1HB LYS 47 -16.678 3.942 -2.708 329 2HB LYS 47 2HB LYS 47 -15.373 4.258 -3.867 330 1HG LYS 47 1HG LYS 47 -14.047 2.395 -2.989 331 2HG LYS 47 2HG LYS 47 -15.294 2.041 -1.776 332 1HD LYS 47 1HD LYS 47 -16.900 1.571 -3.636 333 2HD LYS 47 2HD LYS 47 -15.591 1.797 -4.808 334 1HE LYS 47 1HE LYS 47 -15.504 -0.227 -2.520 335 2HE LYS 47 2HE LYS 47 -16.122 -0.613 -4.128 336 1HZ LYS 47 1HZ LYS 47 -13.301 0.224 -3.661 337 2HZ LYS 47 2HZ LYS 47 -13.867 -1.303 -3.931 338 3HZ LYS 47 3HZ LYS 47 -13.982 -0.288 -5.079 339 H ARG 48 H ARG 48 -15.818 7.129 -1.183 340 HA ARG 48 HA ARG 48 -14.329 8.557 -3.273 341 1HB ARG 48 1HB ARG 48 -16.547 9.293 -1.895 342 2HB ARG 48 2HB ARG 48 -15.350 10.060 -0.864 343 1HG ARG 48 1HG ARG 48 -16.011 10.546 -3.760 344 2HG ARG 48 2HG ARG 48 -16.060 11.690 -2.435 345 1HD ARG 48 1HD ARG 48 -13.546 10.606 -3.801 346 2HD ARG 48 2HD ARG 48 -14.300 12.142 -4.136 347 HE ARG 48 HE ARG 48 -12.440 11.530 -2.061 348 1HH1 ARG 48 2HH2 ARG 48 -15.205 13.650 -2.685 349 2HH1 ARG 48 1HH2 ARG 48 -14.514 15.019 -1.881 350 1HH2 ARG 48 2HH1 ARG 48 -11.395 13.570 -1.299 351 2HH2 ARG 48 1HH1 ARG 48 -12.383 14.834 -0.852 352 H GLN 49 H GLN 49 -13.984 7.932 0.242 353 HA GLN 49 HA GLN 49 -11.723 9.646 0.640 354 1HB GLN 49 1HB GLN 49 -13.395 8.441 2.370 355 2HB GLN 49 2HB GLN 49 -12.363 7.048 2.162 356 1HG GLN 49 1HG GLN 49 -12.010 8.703 4.173 357 2HG GLN 49 2HG GLN 49 -10.653 7.930 3.395 358 1HE2 GLN 49 1HE2 GLN 49 -8.951 9.254 2.788 359 2HE2 GLN 49 2HE2 GLN 49 -9.116 10.979 2.527 360 H ALA 50 H ALA 50 -12.220 6.171 0.162 361 HA ALA 50 HA ALA 50 -9.703 5.366 -0.077 362 1HB ALA 50 1HB ALA 50 -11.909 3.998 -0.225 363 2HB ALA 50 2HB ALA 50 -11.813 4.292 -1.984 364 3HB ALA 50 3HB ALA 50 -10.530 3.415 -1.168 365 H ARG 51 H ARG 51 -11.703 6.605 -2.837 366 HA ARG 51 HA ARG 51 -9.547 6.245 -4.628 367 1HB ARG 51 1HB ARG 51 -12.037 6.558 -5.239 368 2HB ARG 51 2HB ARG 51 -11.710 8.307 -5.143 369 1HG ARG 51 1HG ARG 51 -9.884 8.019 -6.811 370 2HG ARG 51 2HG ARG 51 -10.163 6.269 -6.825 371 1HD ARG 51 1HD ARG 51 -12.572 6.889 -7.602 372 2HD ARG 51 2HD ARG 51 -11.896 8.488 -7.928 373 HE ARG 51 HE ARG 51 -10.461 7.591 -9.574 374 1HH1 ARG 51 2HH2 ARG 51 -12.354 4.955 -8.120 375 2HH1 ARG 51 1HH2 ARG 51 -12.230 3.899 -9.482 376 1HH2 ARG 51 2HH1 ARG 51 -10.386 6.149 -11.516 377 2HH2 ARG 51 1HH1 ARG 51 -11.141 4.625 -11.384 378 H GLU 52 H GLU 52 -10.206 8.974 -2.431 379 HA GLU 52 HA GLU 52 -7.993 10.376 -3.851 380 1HB GLU 52 1HB GLU 52 -9.935 11.617 -2.908 381 2HB GLU 52 2HB GLU 52 -9.269 11.318 -1.286 382 1HG GLU 52 1HG GLU 52 -7.189 12.509 -1.876 383 2HG GLU 52 2HG GLU 52 -7.623 12.513 -3.578 384 H ASP 53 H ASP 53 -8.349 8.353 -0.964 385 HA ASP 53 HA ASP 53 -5.741 8.703 0.094 386 1HB ASP 53 1HB ASP 53 -8.036 6.701 0.186 387 2HB ASP 53 2HB ASP 53 -6.522 6.235 0.803 388 H ILE 54 H ILE 54 -6.972 7.117 -2.649 389 HA ILE 54 HA ILE 54 -4.445 5.819 -3.178 390 HB ILE 54 HB ILE 54 -7.070 6.034 -4.714 391 1HG1 ILE 54 1HG1 ILE 54 -5.427 3.723 -3.601 392 2HG1 ILE 54 2HG1 ILE 54 -6.775 4.472 -2.762 393 1HG2 ILE 54 1HG2 ILE 54 -4.398 4.932 -5.664 394 2HG2 ILE 54 2HG2 ILE 54 -5.945 4.575 -6.479 395 3HG2 ILE 54 3HG2 ILE 54 -5.329 6.208 -6.426 396 1HD1 ILE 54 1HD1 ILE 54 -7.376 2.448 -3.814 397 2HD1 ILE 54 2HD1 ILE 54 -8.344 3.820 -4.418 398 3HD1 ILE 54 3HD1 ILE 54 -7.049 3.091 -5.418 399 H GLN 55 H GLN 55 -6.468 8.470 -4.644 400 HA GLN 55 HA GLN 55 -4.537 8.900 -6.631 401 1HB GLN 55 1HB GLN 55 -7.070 10.227 -5.808 402 2HB GLN 55 2HB GLN 55 -5.894 11.370 -6.364 403 1HG GLN 55 1HG GLN 55 -6.851 10.958 -8.326 404 2HG GLN 55 2HG GLN 55 -5.572 9.759 -8.413 405 1HE2 GLN 55 1HE2 GLN 55 -6.469 7.531 -7.195 406 2HE2 GLN 55 2HE2 GLN 55 -7.903 6.965 -8.008 407 H ASN 56 H ASN 56 -4.432 9.944 -3.368 408 HA ASN 56 HA ASN 56 -2.556 12.151 -4.019 409 1HB ASN 56 1HB ASN 56 -3.687 10.926 -1.422 410 2HB ASN 56 2HB ASN 56 -2.290 11.973 -1.374 411 1HD2 ASN 56 1HD2 ASN 56 -4.649 12.978 -3.777 412 2HD2 ASN 56 2HD2 ASN 56 -5.387 14.217 -2.794 413 H GLY 57 H GLY 57 -0.596 12.115 -3.910 414 1HA GLY 57 1HA GLY 57 0.986 9.790 -3.950 415 2HA GLY 57 2HA GLY 57 1.587 11.451 -3.725 416 H ALA 58 H ALA 58 -0.641 10.517 -1.332 417 HA ALA 58 HA ALA 58 1.420 10.407 0.778 418 1HB ALA 58 1HB ALA 58 -0.800 11.628 1.040 419 2HB ALA 58 2HB ALA 58 -1.622 10.063 0.932 420 3HB ALA 58 3HB ALA 58 -0.513 10.387 2.283 421 H ILE 59 H ILE 59 -0.377 8.207 -1.310 422 HA ILE 59 HA ILE 59 0.147 5.864 0.460 423 HB ILE 59 HB ILE 59 -1.950 6.151 -0.172 424 1HG1 ILE 59 1HG1 ILE 59 -1.309 3.965 0.119 425 2HG1 ILE 59 2HG1 ILE 59 -2.581 4.079 -1.092 426 1HG2 ILE 59 1HG2 ILE 59 -2.412 5.663 -2.826 427 2HG2 ILE 59 2HG2 ILE 59 -2.379 7.256 -2.091 428 3HG2 ILE 59 3HG2 ILE 59 -0.948 6.637 -2.948 429 1HD1 ILE 59 1HD1 ILE 59 0.346 3.451 -1.533 430 2HD1 ILE 59 2HD1 ILE 59 -1.094 2.502 -1.971 431 3HD1 ILE 59 3HD1 ILE 59 -0.719 3.970 -2.871 432 H TYR 60 H TYR 60 2.135 5.902 0.687 433 HA TYR 60 HA TYR 60 3.977 5.671 -1.515 434 1HB TYR 60 1HB TYR 60 4.496 5.417 1.445 435 2HB TYR 60 2HB TYR 60 5.646 5.751 0.175 436 HD1 TYR 60 1HD TYR 60 3.485 7.185 2.691 437 HD2 TYR 60 2HD TYR 60 5.321 8.091 -1.100 438 HE1 TYR 60 1HE TYR 60 3.334 9.556 3.210 439 HE2 TYR 60 2HE TYR 60 5.153 10.502 -0.583 440 HH TYR 60 HH TYR 60 4.259 11.631 2.646 441 H VAL 61 H VAL 61 3.657 3.769 -2.534 442 HA VAL 61 HA VAL 61 2.814 1.375 -0.966 443 HB VAL 61 HB VAL 61 1.830 1.866 -3.271 444 1HG1 VAL 61 1HG1 VAL 61 4.062 2.549 -4.315 445 2HG1 VAL 61 2HG1 VAL 61 4.511 0.840 -4.327 446 3HG1 VAL 61 3HG1 VAL 61 3.126 1.384 -5.247 447 1HG2 VAL 61 1HG2 VAL 61 1.753 -0.396 -2.300 448 2HG2 VAL 61 2HG2 VAL 61 1.949 -0.460 -4.043 449 3HG2 VAL 61 3HG2 VAL 61 3.332 -0.776 -2.970 450 H ASN 62 H ASN 62 4.465 -0.144 -0.428 451 HA ASN 62 HA ASN 62 6.646 -0.882 -0.129 452 1HB ASN 62 1HB ASN 62 6.461 -0.261 -3.051 453 2HB ASN 62 2HB ASN 62 7.907 -0.946 -2.375 454 1HD2 ASN 62 1HD2 ASN 62 5.712 -1.955 -4.090 455 2HD2 ASN 62 2HD2 ASN 62 5.306 -3.506 -3.377 456 H GLY 63 H GLY 63 6.147 2.021 0.322 457 1HA GLY 63 1HA GLY 63 7.421 3.716 1.297 458 2HA GLY 63 2HA GLY 63 8.897 2.887 0.783 459 H GLU 64 H GLU 64 6.493 3.417 -1.717 460 HA GLU 64 HA GLU 64 8.195 5.426 -3.024 461 1HB GLU 64 1HB GLU 64 8.136 2.709 -3.511 462 2HB GLU 64 2HB GLU 64 6.794 3.231 -4.514 463 1HG GLU 64 1HG GLU 64 8.738 3.176 -5.872 464 2HG GLU 64 2HG GLU 64 8.337 4.882 -5.626 465 H ARG 65 H ARG 65 6.894 7.171 -3.749 466 HA ARG 65 HA ARG 65 4.082 7.222 -3.085 467 1HB ARG 65 1HB ARG 65 5.470 9.280 -3.119 468 2HB ARG 65 2HB ARG 65 5.819 9.084 -4.835 469 1HG ARG 65 1HG ARG 65 2.966 9.127 -3.970 470 2HG ARG 65 2HG ARG 65 3.827 10.657 -3.860 471 1HD ARG 65 1HD ARG 65 3.674 9.102 -6.484 472 2HD ARG 65 2HD ARG 65 2.396 10.166 -5.927 473 HE ARG 65 HE ARG 65 4.842 11.590 -5.804 474 1HH1 ARG 65 2HH2 ARG 65 3.013 10.067 -8.444 475 2HH1 ARG 65 1HH2 ARG 65 2.721 11.534 -9.306 476 1HH2 ARG 65 2HH1 ARG 65 4.867 13.441 -7.164 477 2HH2 ARG 65 1HH1 ARG 65 4.042 13.436 -8.687 478 H LEU 66 H LEU 66 2.663 5.785 -4.223 479 HA LEU 66 HA LEU 66 2.707 6.180 -7.184 480 1HB LEU 66 1HB LEU 66 2.920 3.574 -5.814 481 2HB LEU 66 2HB LEU 66 2.325 3.742 -7.460 482 HG LEU 66 HG LEU 66 5.098 4.583 -6.471 483 1HD1 LEU 66 1HD1 LEU 66 4.155 2.229 -8.098 484 2HD1 LEU 66 2HD1 LEU 66 5.855 2.725 -7.883 485 3HD1 LEU 66 3HD1 LEU 66 4.922 2.237 -6.480 486 1HD2 LEU 66 1HD2 LEU 66 4.066 4.445 -9.347 487 2HD2 LEU 66 2HD2 LEU 66 4.380 5.949 -8.463 488 3HD2 LEU 66 3HD2 LEU 66 5.706 4.862 -8.811 489 H GLN 67 H GLN 67 0.745 7.185 -7.335 490 HA GLN 67 HA GLN 67 -1.508 6.265 -5.627 491 1HB GLN 67 1HB GLN 67 -2.417 8.549 -6.273 492 2HB GLN 67 2HB GLN 67 -1.136 8.453 -5.086 493 1HG GLN 67 1HG GLN 67 -1.199 10.388 -6.622 494 2HG GLN 67 2HG GLN 67 0.300 9.669 -6.456 495 1HE2 GLN 67 1HE2 GLN 67 1.200 8.681 -8.717 496 2HE2 GLN 67 2HE2 GLN 67 0.125 8.787 -10.083 497 H ASP 68 H ASP 68 -0.785 4.778 -8.101 498 HA ASP 68 HA ASP 68 -3.197 5.391 -9.708 499 1HB ASP 68 1HB ASP 68 -0.895 6.298 -10.557 500 2HB ASP 68 2HB ASP 68 -0.684 4.640 -11.121 501 H VAL 69 H VAL 69 -4.311 3.716 -10.473 502 HA VAL 69 HA VAL 69 -3.905 0.929 -9.733 503 HB VAL 69 HB VAL 69 -6.038 2.108 -10.174 504 1HG1 VAL 69 1HG1 VAL 69 -5.346 2.096 -13.119 505 2HG1 VAL 69 2HG1 VAL 69 -6.898 2.542 -12.393 506 3HG1 VAL 69 3HG1 VAL 69 -5.468 3.528 -12.073 507 1HG2 VAL 69 1HG2 VAL 69 -7.184 0.326 -11.324 508 2HG2 VAL 69 2HG2 VAL 69 -5.674 -0.200 -12.088 509 3HG2 VAL 69 3HG2 VAL 69 -5.886 -0.358 -10.327 510 H GLY 70 H GLY 70 -3.084 2.911 -12.544 511 1HA GLY 70 1HA GLY 70 -1.911 0.671 -13.965 512 2HA GLY 70 2HA GLY 70 -1.658 2.388 -14.342 513 H ALA 71 H ALA 71 -0.874 2.280 -11.239 514 HA ALA 71 HA ALA 71 1.985 1.633 -11.693 515 1HB ALA 71 1HB ALA 71 0.766 3.220 -9.403 516 2HB ALA 71 2HB ALA 71 2.470 2.829 -9.644 517 3HB ALA 71 3HB ALA 71 1.648 3.885 -10.803 518 H ILE 72 H ILE 72 -0.905 0.802 -9.535 519 HA ILE 72 HA ILE 72 0.630 -1.579 -8.790 520 HB ILE 72 HB ILE 72 -1.009 -0.153 -6.817 521 1HG1 ILE 72 1HG1 ILE 72 1.921 0.145 -6.542 522 2HG1 ILE 72 2HG1 ILE 72 1.282 1.183 -7.765 523 1HG2 ILE 72 1HG2 ILE 72 1.411 -2.065 -6.798 524 2HG2 ILE 72 2HG2 ILE 72 0.563 -1.553 -5.336 525 3HG2 ILE 72 3HG2 ILE 72 -0.241 -2.584 -6.523 526 1HD1 ILE 72 1HD1 ILE 72 1.238 2.298 -5.594 527 2HD1 ILE 72 2HD1 ILE 72 -0.345 2.148 -6.306 528 3HD1 ILE 72 3HD1 ILE 72 0.140 1.056 -4.970 529 H LEU 73 H LEU 73 -0.562 -3.415 -9.246 530 HA LEU 73 HA LEU 73 -3.427 -3.412 -8.656 531 1HB LEU 73 1HB LEU 73 -2.036 -5.194 -10.649 532 2HB LEU 73 2HB LEU 73 -3.724 -5.258 -10.141 533 HG LEU 73 HG LEU 73 -2.497 -2.829 -11.459 534 1HD1 LEU 73 1HD1 LEU 73 -3.395 -3.391 -13.553 535 2HD1 LEU 73 2HD1 LEU 73 -2.621 -4.887 -13.015 536 3HD1 LEU 73 3HD1 LEU 73 -4.374 -4.709 -12.893 537 1HD2 LEU 73 1HD2 LEU 73 -4.854 -2.261 -12.011 538 2HD2 LEU 73 2HD2 LEU 73 -5.353 -3.527 -10.873 539 3HD2 LEU 73 3HD2 LEU 73 -4.367 -2.112 -10.326 540 H THR 74 H THR 74 -1.240 -6.287 -8.995 541 HA THR 74 HA THR 74 -1.436 -6.563 -6.094 542 HB THR 74 HB THR 74 -0.586 -8.982 -6.919 543 HG1 THR 74 1HG THR 74 -1.026 -9.412 -8.948 544 1HG2 THR 74 1HG2 THR 74 -2.952 -9.520 -7.032 545 2HG2 THR 74 2HG2 THR 74 -2.617 -8.329 -5.778 546 3HG2 THR 74 3HG2 THR 74 -3.343 -7.789 -7.280 547 H ALA 75 H ALA 75 0.380 -8.315 -5.428 548 HA ALA 75 HA ALA 75 2.668 -6.779 -4.843 549 1HB ALA 75 1HB ALA 75 1.958 -8.674 -3.419 550 2HB ALA 75 2HB ALA 75 2.079 -9.796 -4.784 551 3HB ALA 75 3HB ALA 75 3.546 -9.091 -4.116 552 H GLU 76 H GLU 76 2.245 -9.381 -7.308 553 HA GLU 76 HA GLU 76 4.941 -9.045 -8.304 554 1HB GLU 76 1HB GLU 76 4.332 -11.094 -8.799 555 2HB GLU 76 2HB GLU 76 2.615 -10.785 -8.755 556 1HG GLU 76 1HG GLU 76 4.291 -10.086 -11.191 557 2HG GLU 76 2HG GLU 76 3.634 -11.672 -10.894 558 H HIS 77 H HIS 77 2.168 -7.125 -8.550 559 HA HIS 77 HA HIS 77 2.908 -6.007 -11.176 560 1HB HIS 77 1HB HIS 77 0.526 -6.221 -10.363 561 2HB HIS 77 2HB HIS 77 0.901 -4.990 -9.165 562 HD1 HIS 77 1HD HIS 77 1.828 -2.558 -10.256 563 HD2 HIS 77 2HD HIS 77 -0.541 -5.218 -12.480 564 HE1 HIS 77 1HE HIS 77 0.321 -1.145 -11.655 565 H ARG 78 H ARG 78 3.876 -5.709 -7.788 566 HA ARG 78 HA ARG 78 4.694 -2.929 -8.326 567 1HB ARG 78 1HB ARG 78 2.979 -3.425 -6.480 568 2HB ARG 78 2HB ARG 78 4.370 -3.914 -5.551 569 1HG ARG 78 1HG ARG 78 3.671 -1.532 -5.208 570 2HG ARG 78 2HG ARG 78 5.357 -1.746 -5.605 571 1HD ARG 78 1HD ARG 78 3.478 -1.093 -7.868 572 2HD ARG 78 2HD ARG 78 4.002 0.164 -6.750 573 HE ARG 78 HE ARG 78 6.319 -0.384 -7.213 574 1HH1 ARG 78 2HH2 ARG 78 3.865 -0.828 -9.797 575 2HH1 ARG 78 1HH2 ARG 78 5.029 -0.806 -11.057 576 1HH2 ARG 78 2HH1 ARG 78 7.761 -0.055 -8.930 577 2HH2 ARG 78 1HH1 ARG 78 7.257 -0.202 -10.578 578 H LEU 79 H LEU 79 5.752 -5.825 -6.239 579 HA LEU 79 HA LEU 79 8.526 -5.189 -6.776 580 1HB LEU 79 1HB LEU 79 8.460 -7.409 -5.224 581 2HB LEU 79 2HB LEU 79 8.544 -5.757 -4.640 582 HG LEU 79 HG LEU 79 5.973 -7.360 -4.679 583 1HD1 LEU 79 1HD1 LEU 79 7.685 -8.492 -3.275 584 2HD1 LEU 79 2HD1 LEU 79 8.161 -6.950 -2.557 585 3HD1 LEU 79 3HD1 LEU 79 6.574 -7.611 -2.198 586 1HD2 LEU 79 1HD2 LEU 79 5.119 -5.442 -4.185 587 2HD2 LEU 79 2HD2 LEU 79 6.062 -5.372 -2.677 588 3HD2 LEU 79 3HD2 LEU 79 6.666 -4.618 -4.178 589 H GLU 80 H GLU 80 9.644 -7.484 -6.988 590 HA GLU 80 HA GLU 80 9.013 -8.826 -9.375 591 1HB GLU 80 1HB GLU 80 10.524 -10.548 -8.529 592 2HB GLU 80 2HB GLU 80 11.133 -8.931 -8.185 593 1HG GLU 80 1HG GLU 80 9.887 -9.364 -5.829 594 2HG GLU 80 2HG GLU 80 10.099 -11.038 -6.303 595 H GLY 81 H GLY 81 7.737 -9.283 -6.068 596 1HA GLY 81 1HA GLY 81 5.287 -9.818 -6.239 597 2HA GLY 81 2HA GLY 81 5.841 -11.255 -7.096 598 H ARG 82 H ARG 82 5.574 -9.702 -4.001 599 HA ARG 82 HA ARG 82 5.508 -12.405 -2.844 600 1HB ARG 82 1HB ARG 82 7.291 -10.303 -1.499 601 2HB ARG 82 2HB ARG 82 6.693 -11.785 -0.772 602 1HG ARG 82 1HG ARG 82 8.830 -12.373 -1.311 603 2HG ARG 82 2HG ARG 82 7.905 -13.055 -2.643 604 1HD ARG 82 1HD ARG 82 8.576 -11.002 -4.023 605 2HD ARG 82 2HD ARG 82 9.485 -10.429 -2.635 606 HE ARG 82 HE ARG 82 11.192 -11.602 -3.442 607 1HH1 ARG 82 2HH2 ARG 82 8.293 -13.313 -4.727 608 2HH1 ARG 82 1HH2 ARG 82 9.290 -14.495 -5.516 609 1HH2 ARG 82 2HH1 ARG 82 12.384 -13.195 -4.575 610 2HH2 ARG 82 1HH1 ARG 82 11.517 -14.310 -5.586 611 H PHE 83 H PHE 83 5.508 -8.995 -1.862 612 HA PHE 83 HA PHE 83 2.748 -9.173 -0.794 613 1HB PHE 83 1HB PHE 83 5.341 -8.324 0.567 614 2HB PHE 83 2HB PHE 83 3.815 -7.650 1.055 615 HD1 PHE 83 1HD PHE 83 5.896 -10.678 1.159 616 HD2 PHE 83 2HD PHE 83 2.079 -8.941 2.188 617 HE1 PHE 83 1HE PHE 83 5.532 -12.422 2.902 618 HE2 PHE 83 2HE PHE 83 1.834 -10.587 4.028 619 HZ PHE 83 HZ PHE 83 3.589 -12.306 4.379 620 H THR 84 H THR 84 2.385 -6.588 -0.099 621 HA THR 84 HA THR 84 4.105 -4.765 -1.555 622 HB THR 84 HB THR 84 1.622 -5.635 -2.686 623 HG1 THR 84 1HG THR 84 3.400 -5.355 -3.733 624 1HG2 THR 84 1HG2 THR 84 0.646 -3.423 -3.318 625 2HG2 THR 84 2HG2 THR 84 0.419 -3.758 -1.595 626 3HG2 THR 84 3HG2 THR 84 1.691 -2.641 -2.109 627 H VAL 85 H VAL 85 4.441 -3.185 -0.130 628 HA VAL 85 HA VAL 85 2.874 -2.964 2.381 629 HB VAL 85 HB VAL 85 5.133 -1.160 1.413 630 1HG1 VAL 85 1HG1 VAL 85 4.157 -1.844 4.214 631 2HG1 VAL 85 2HG1 VAL 85 5.548 -0.809 3.825 632 3HG1 VAL 85 3HG1 VAL 85 3.929 -0.302 3.361 633 1HG2 VAL 85 1HG2 VAL 85 5.497 -3.698 3.025 634 2HG2 VAL 85 2HG2 VAL 85 6.017 -3.472 1.343 635 3HG2 VAL 85 3HG2 VAL 85 6.753 -2.498 2.595 636 H ILE 86 H ILE 86 1.478 -1.164 2.757 637 HA ILE 86 HA ILE 86 1.224 0.902 0.618 638 HB ILE 86 HB ILE 86 -0.892 -0.581 2.215 639 1HG1 ILE 86 1HG1 ILE 86 -0.064 -1.703 0.082 640 2HG1 ILE 86 2HG1 ILE 86 -1.785 -1.347 0.109 641 1HG2 ILE 86 1HG2 ILE 86 -2.506 0.930 0.853 642 2HG2 ILE 86 2HG2 ILE 86 -1.638 1.713 2.182 643 3HG2 ILE 86 3HG2 ILE 86 -1.064 1.916 0.523 644 1HD1 ILE 86 1HD1 ILE 86 -0.511 -0.813 -2.071 645 2HD1 ILE 86 2HD1 ILE 86 -1.589 0.435 -1.434 646 3HD1 ILE 86 3HD1 ILE 86 0.157 0.587 -1.208 647 H ARG 87 H ARG 87 2.375 2.525 1.649 648 HA ARG 87 HA ARG 87 1.840 2.995 4.555 649 1HB ARG 87 1HB ARG 87 4.188 2.663 4.187 650 2HB ARG 87 2HB ARG 87 4.227 3.744 2.817 651 1HG ARG 87 1HG ARG 87 3.898 5.698 4.225 652 2HG ARG 87 2HG ARG 87 3.504 4.695 5.604 653 1HD ARG 87 1HD ARG 87 5.734 5.400 5.988 654 2HD ARG 87 2HD ARG 87 5.886 3.729 5.433 655 HE ARG 87 HE ARG 87 6.123 5.779 3.348 656 1HH1 ARG 87 2HH2 ARG 87 7.981 3.795 5.735 657 2HH1 ARG 87 1HH2 ARG 87 9.449 4.010 4.881 658 1HH2 ARG 87 2HH1 ARG 87 8.123 6.137 2.390 659 2HH2 ARG 87 1HH1 ARG 87 9.526 5.254 2.841 660 H ARG 88 H ARG 88 -0.300 3.736 4.003 661 HA ARG 88 HA ARG 88 -0.424 6.171 2.376 662 1HB ARG 88 1HB ARG 88 -2.333 4.628 2.358 663 2HB ARG 88 2HB ARG 88 -2.543 4.828 4.113 664 1HG ARG 88 1HG ARG 88 -3.028 7.208 3.845 665 2HG ARG 88 2HG ARG 88 -2.507 7.168 2.153 666 1HD ARG 88 1HD ARG 88 -4.818 7.217 2.070 667 2HD ARG 88 2HD ARG 88 -4.352 5.589 1.635 668 HE ARG 88 HE ARG 88 -5.473 4.760 3.459 669 1HH1 ARG 88 2HH2 ARG 88 -5.694 8.238 3.743 670 2HH1 ARG 88 1HH2 ARG 88 -6.197 8.285 5.359 671 1HH2 ARG 88 2HH1 ARG 88 -6.911 4.824 5.255 672 2HH2 ARG 88 1HH1 ARG 88 -7.179 6.298 6.099 673 H GLY 89 H GLY 89 0.781 7.734 3.388 674 1HA GLY 89 1HA GLY 89 1.752 7.916 5.894 675 2HA GLY 89 2HA GLY 89 1.355 9.340 4.933 676 H LYS 90 H LYS 90 -1.346 9.504 4.962 677 HA LYS 90 HA LYS 90 -1.922 10.414 7.546 678 1HB LYS 90 1HB LYS 90 -2.977 10.818 5.042 679 2HB LYS 90 2HB LYS 90 -4.285 9.931 5.793 680 1HG LYS 90 1HG LYS 90 -3.046 12.559 6.736 681 2HG LYS 90 2HG LYS 90 -4.574 12.344 5.913 682 1HD LYS 90 1HD LYS 90 -5.293 12.678 8.061 683 2HD LYS 90 2HD LYS 90 -5.295 10.925 7.975 684 1HE LYS 90 1HE LYS 90 -2.700 11.524 8.856 685 2HE LYS 90 2HE LYS 90 -3.622 12.825 9.576 686 1HZ LYS 90 1HZ LYS 90 -5.004 11.109 10.665 687 2HZ LYS 90 2HZ LYS 90 -4.138 9.919 9.944 688 3HZ LYS 90 3HZ LYS 90 -3.428 10.921 11.034 689 H LYS 91 H LYS 91 -1.825 7.180 6.830 690 HA LYS 91 HA LYS 91 -3.263 6.680 9.311 691 1HB LYS 91 1HB LYS 91 -4.844 6.061 7.386 692 2HB LYS 91 2HB LYS 91 -3.703 4.798 6.956 693 1HG LYS 91 1HG LYS 91 -5.228 3.666 8.281 694 2HG LYS 91 2HG LYS 91 -3.984 4.058 9.484 695 1HD LYS 91 1HD LYS 91 -5.462 6.141 9.987 696 2HD LYS 91 2HD LYS 91 -6.707 5.360 9.021 697 1HE LYS 91 1HE LYS 91 -5.428 4.323 11.588 698 2HE LYS 91 2HE LYS 91 -7.060 4.959 11.424 699 1HZ LYS 91 1HZ LYS 91 -6.056 2.475 10.181 700 2HZ LYS 91 2HZ LYS 91 -7.018 2.543 11.494 701 3HZ LYS 91 3HZ LYS 91 -7.584 2.981 10.018 702 H LYS 92 H LYS 92 -1.811 3.983 7.301 703 HA LYS 92 HA LYS 92 0.749 4.419 8.409 704 1HB LYS 92 1HB LYS 92 -1.039 3.373 10.205 705 2HB LYS 92 2HB LYS 92 -0.637 1.919 9.329 706 1HG LYS 92 1HG LYS 92 0.929 1.970 11.129 707 2HG LYS 92 2HG LYS 92 1.851 2.584 9.765 708 1HD LYS 92 1HD LYS 92 2.409 4.081 11.451 709 2HD LYS 92 2HD LYS 92 1.149 4.951 10.603 710 1HE LYS 92 1HE LYS 92 0.626 5.205 12.880 711 2HE LYS 92 2HE LYS 92 -0.511 3.972 12.328 712 1HZ LYS 92 1HZ LYS 92 2.081 3.295 13.604 713 2HZ LYS 92 2HZ LYS 92 0.739 3.535 14.492 714 3HZ LYS 92 3HZ LYS 92 0.797 2.300 13.407 715 H TYR 93 H TYR 93 1.449 1.784 8.248 716 HA TYR 93 HA TYR 93 1.669 1.180 5.383 717 1HB TYR 93 1HB TYR 93 3.405 -0.499 6.757 718 2HB TYR 93 2HB TYR 93 3.756 0.868 5.768 719 HD1 TYR 93 1HD TYR 93 4.300 3.009 6.719 720 HD2 TYR 93 2HD TYR 93 3.478 -0.334 9.265 721 HE1 TYR 93 1HE TYR 93 5.131 4.321 8.652 722 HE2 TYR 93 2HE TYR 93 4.250 0.943 11.218 723 HH TYR 93 HH TYR 93 4.774 3.129 11.991 724 H TYR 94 H TYR 94 -0.453 0.153 5.078 725 HA TYR 94 HA TYR 94 -0.995 -2.254 6.683 726 1HB TYR 94 1HB TYR 94 -2.238 -0.941 4.243 727 2HB TYR 94 2HB TYR 94 -2.815 -2.401 4.989 728 HD1 TYR 94 1HD TYR 94 -2.302 1.239 5.623 729 HD2 TYR 94 2HD TYR 94 -4.122 -2.434 6.976 730 HE1 TYR 94 1HE TYR 94 -3.385 2.462 7.473 731 HE2 TYR 94 2HE TYR 94 -5.267 -1.212 8.787 732 HH TYR 94 HH TYR 94 -5.031 0.695 10.070 733 H LEU 95 H LEU 95 -1.328 -4.229 5.372 734 HA LEU 95 HA LEU 95 0.870 -4.454 3.398 735 1HB LEU 95 1HB LEU 95 1.666 -5.078 5.546 736 2HB LEU 95 2HB LEU 95 0.295 -6.131 5.841 737 HG LEU 95 HG LEU 95 1.047 -7.688 4.097 738 1HD1 LEU 95 1HD1 LEU 95 2.089 -6.229 2.455 739 2HD1 LEU 95 2HD1 LEU 95 3.200 -5.572 3.666 740 3HD1 LEU 95 3HD1 LEU 95 3.321 -7.258 3.117 741 1HD2 LEU 95 1HD2 LEU 95 3.149 -8.445 5.148 742 2HD2 LEU 95 2HD2 LEU 95 3.331 -6.868 5.955 743 3HD2 LEU 95 3HD2 LEU 95 1.998 -7.943 6.382 744 H ILE 96 H ILE 96 0.532 -5.834 1.674 745 HA ILE 96 HA ILE 96 -2.139 -7.154 1.414 746 HB ILE 96 HB ILE 96 -0.624 -5.586 -0.694 747 1HG1 ILE 96 1HG1 ILE 96 -1.263 -3.965 1.096 748 2HG1 ILE 96 2HG1 ILE 96 -1.943 -3.655 -0.461 749 1HG2 ILE 96 1HG2 ILE 96 -2.169 -7.226 -1.616 750 2HG2 ILE 96 2HG2 ILE 96 -3.500 -6.581 -0.648 751 3HG2 ILE 96 3HG2 ILE 96 -2.758 -5.599 -1.934 752 1HD1 ILE 96 1HD1 ILE 96 -3.449 -4.987 1.822 753 2HD1 ILE 96 2HD1 ILE 96 -3.543 -3.273 1.370 754 3HD1 ILE 96 3HD1 ILE 96 -4.136 -4.510 0.254 755 H ARG 97 H ARG 97 -1.785 -9.387 0.933 756 HA ARG 97 HA ARG 97 0.131 -9.860 -1.256 757 1HB ARG 97 1HB ARG 97 0.424 -12.108 -0.183 758 2HB ARG 97 2HB ARG 97 1.309 -10.788 0.537 759 1HG ARG 97 1HG ARG 97 -0.159 -10.795 2.449 760 2HG ARG 97 2HG ARG 97 -1.343 -11.825 1.626 761 1HD ARG 97 1HD ARG 97 0.220 -13.709 1.604 762 2HD ARG 97 2HD ARG 97 1.498 -12.713 2.292 763 HE ARG 97 HE ARG 97 0.233 -12.498 4.355 764 1HH1 ARG 97 2HH2 ARG 97 -0.788 -15.233 2.299 765 2HH1 ARG 97 1HH2 ARG 97 -1.933 -15.803 3.471 766 1HH2 ARG 97 2HH1 ARG 97 -1.069 -13.301 5.844 767 2HH2 ARG 97 1HH1 ARG 97 -2.121 -14.687 5.592 768 H TYR 98 H TYR 98 -0.275 -12.078 -2.217 769 HA TYR 98 HA TYR 98 -3.122 -12.637 -2.503 770 1HB TYR 98 1HB TYR 98 -2.092 -14.085 -4.452 771 2HB TYR 98 2HB TYR 98 -2.483 -12.396 -4.642 772 HD1 TYR 98 1HD TYR 98 0.607 -14.072 -3.150 773 HD2 TYR 98 2HD TYR 98 -1.033 -11.527 -6.230 774 HE1 TYR 98 1HE TYR 98 2.863 -13.716 -4.031 775 HE2 TYR 98 2HE TYR 98 1.219 -11.194 -7.137 776 HH TYR 98 HH TYR 98 4.035 -13.045 -6.005 777 H ALA 99 H ALA 99 -3.709 -14.838 -2.533 778 HA ALA 99 HA ALA 99 -1.909 -16.963 -1.898 779 1HB ALA 99 1HB ALA 99 -4.298 -16.270 -0.142 780 2HB ALA 99 2HB ALA 99 -3.531 -17.864 -0.164 781 3HB ALA 99 3HB ALA 99 -2.592 -16.451 0.375 Start of MODEL 14 1 1H ALA 1 1H ALA 1 14.011 -11.502 -4.466 2 2H ALA 1 2H ALA 1 12.778 -12.536 -4.840 3 3H ALA 1 3H ALA 1 12.727 -11.652 -3.454 4 HA ALA 1 HA ALA 1 13.267 -13.859 -2.896 5 1HB ALA 1 1HB ALA 1 15.347 -14.869 -3.737 6 2HB ALA 1 2HB ALA 1 14.188 -14.551 -5.028 7 3HB ALA 1 3HB ALA 1 15.589 -13.471 -4.816 8 H LEU 2 H LEU 2 16.618 -13.356 -2.792 9 HA LEU 2 HA LEU 2 16.487 -10.835 -1.338 10 1HB LEU 2 1HB LEU 2 16.283 -12.609 0.408 11 2HB LEU 2 2HB LEU 2 17.898 -13.168 0.018 12 HG LEU 2 HG LEU 2 17.518 -10.208 0.550 13 1HD1 LEU 2 1HD1 LEU 2 17.608 -10.543 2.990 14 2HD1 LEU 2 2HD1 LEU 2 16.130 -11.206 2.290 15 3HD1 LEU 2 3HD1 LEU 2 17.445 -12.299 2.737 16 1HD2 LEU 2 1HD2 LEU 2 19.800 -10.969 0.100 17 2HD2 LEU 2 2HD2 LEU 2 19.668 -10.464 1.773 18 3HD2 LEU 2 3HD2 LEU 2 19.681 -12.199 1.382 19 H PHE 3 H PHE 3 17.195 -10.259 -3.361 20 HA PHE 3 HA PHE 3 20.016 -9.935 -3.453 21 1HB PHE 3 1HB PHE 3 18.515 -11.209 -5.766 22 2HB PHE 3 2HB PHE 3 19.779 -10.039 -6.100 23 HD1 PHE 3 1HD PHE 3 22.136 -10.459 -5.630 24 HD2 PHE 3 2HD PHE 3 19.109 -13.418 -4.866 25 HE1 PHE 3 1HE PHE 3 23.884 -12.185 -5.353 26 HE2 PHE 3 2HE PHE 3 20.863 -15.155 -4.604 27 HZ PHE 3 HZ PHE 3 23.268 -14.537 -4.838 28 H SER 4 H SER 4 20.411 -7.983 -4.836 29 HA SER 4 HA SER 4 19.107 -5.921 -3.716 30 1HB SER 4 1HB SER 4 20.250 -4.557 -5.577 31 2HB SER 4 2HB SER 4 21.232 -5.590 -4.532 32 HG SER 4 HG SER 4 20.498 -5.976 -7.234 33 H GLY 5 H GLY 5 18.188 -7.330 -6.852 34 1HA GLY 5 1HA GLY 5 16.317 -7.054 -8.121 35 2HA GLY 5 2HA GLY 5 15.577 -7.065 -6.524 36 H ASP 6 H ASP 6 13.894 -5.835 -7.138 37 HA ASP 6 HA ASP 6 14.252 -2.952 -7.765 38 1HB ASP 6 1HB ASP 6 11.871 -4.834 -7.438 39 2HB ASP 6 2HB ASP 6 11.660 -3.092 -7.357 40 H ILE 7 H ILE 7 11.937 -4.114 -5.504 41 HA ILE 7 HA ILE 7 13.098 -2.473 -3.402 42 HB ILE 7 HB ILE 7 10.887 -3.137 -2.291 43 1HG1 ILE 7 1HG1 ILE 7 10.591 -5.034 -4.105 44 2HG1 ILE 7 2HG1 ILE 7 9.240 -4.239 -3.417 45 1HG2 ILE 7 1HG2 ILE 7 9.638 -1.445 -3.649 46 2HG2 ILE 7 2HG2 ILE 7 11.155 -0.948 -2.880 47 3HG2 ILE 7 3HG2 ILE 7 11.116 -1.294 -4.616 48 1HD1 ILE 7 1HD1 ILE 7 9.842 -2.702 -5.772 49 2HD1 ILE 7 2HD1 ILE 7 9.987 -4.409 -6.176 50 3HD1 ILE 7 3HD1 ILE 7 8.498 -3.789 -5.453 51 H ALA 8 H ALA 8 14.813 -4.117 -3.465 52 HA ALA 8 HA ALA 8 14.535 -6.476 -1.729 53 1HB ALA 8 1HB ALA 8 16.981 -6.452 -1.543 54 2HB ALA 8 2HB ALA 8 16.438 -6.339 -3.212 55 3HB ALA 8 3HB ALA 8 17.039 -4.883 -2.368 56 H ASN 9 H ASN 9 14.301 -3.197 -1.145 57 HA ASN 9 HA ASN 9 15.038 -3.177 1.702 58 1HB ASN 9 1HB ASN 9 13.591 -1.316 -0.235 59 2HB ASN 9 2HB ASN 9 13.342 -1.116 1.483 60 1HD2 ASN 9 1HD2 ASN 9 16.081 -1.386 -0.899 61 2HD2 ASN 9 2HD2 ASN 9 17.068 -0.245 0.002 62 H LEU 10 H LEU 10 12.498 -4.463 -0.215 63 HA LEU 10 HA LEU 10 10.718 -4.833 2.141 64 1HB LEU 10 1HB LEU 10 10.065 -4.182 -0.758 65 2HB LEU 10 2HB LEU 10 8.921 -4.903 0.271 66 HG LEU 10 HG LEU 10 9.811 -2.835 1.847 67 1HD1 LEU 10 1HD1 LEU 10 9.748 -0.808 0.639 68 2HD1 LEU 10 2HD1 LEU 10 11.075 -1.815 0.066 69 3HD1 LEU 10 3HD1 LEU 10 9.607 -1.662 -0.901 70 1HD2 LEU 10 1HD2 LEU 10 7.290 -2.975 0.318 71 2HD2 LEU 10 2HD2 LEU 10 7.648 -3.433 1.965 72 3HD2 LEU 10 3HD2 LEU 10 7.710 -1.753 1.569 73 H THR 11 H THR 11 12.488 -6.653 2.283 74 HA THR 11 HA THR 11 11.846 -8.937 0.583 75 HB THR 11 HB THR 11 13.440 -9.907 2.545 76 HG1 THR 11 1HG THR 11 14.269 -8.313 3.677 77 1HG2 THR 11 1HG2 THR 11 15.360 -9.381 1.008 78 2HG2 THR 11 2HG2 THR 11 13.934 -9.802 0.049 79 3HG2 THR 11 3HG2 THR 11 14.407 -8.110 0.225 80 H ALA 12 H ALA 12 11.482 -10.929 2.128 81 HA ALA 12 HA ALA 12 8.685 -10.331 2.846 82 1HB ALA 12 1HB ALA 12 9.140 -12.306 1.448 83 2HB ALA 12 2HB ALA 12 10.178 -12.984 2.717 84 3HB ALA 12 3HB ALA 12 8.441 -12.817 3.002 85 H ALA 13 H ALA 13 11.571 -11.466 4.566 86 HA ALA 13 HA ALA 13 10.292 -11.628 7.165 87 1HB ALA 13 1HB ALA 13 13.164 -10.908 6.385 88 2HB ALA 13 2HB ALA 13 12.591 -11.259 8.028 89 3HB ALA 13 3HB ALA 13 12.564 -12.527 6.795 90 H GLU 14 H GLU 14 11.514 -8.999 5.124 91 HA GLU 14 HA GLU 14 11.967 -7.183 7.301 92 1HB GLU 14 1HB GLU 14 12.409 -7.554 4.385 93 2HB GLU 14 2HB GLU 14 11.800 -5.959 4.635 94 1HG GLU 14 1HG GLU 14 14.215 -5.848 4.702 95 2HG GLU 14 2HG GLU 14 13.632 -5.562 6.346 96 H ILE 15 H ILE 15 9.558 -7.697 4.725 97 HA ILE 15 HA ILE 15 7.912 -5.505 5.534 98 HB ILE 15 HB ILE 15 7.554 -7.961 3.745 99 1HG1 ILE 15 1HG1 ILE 15 7.386 -4.999 3.299 100 2HG1 ILE 15 2HG1 ILE 15 8.861 -5.908 3.077 101 1HG2 ILE 15 1HG2 ILE 15 5.333 -7.646 4.819 102 2HG2 ILE 15 2HG2 ILE 15 5.421 -5.899 4.571 103 3HG2 ILE 15 3HG2 ILE 15 5.256 -7.005 3.197 104 1HD1 ILE 15 1HD1 ILE 15 7.021 -5.480 1.057 105 2HD1 ILE 15 2HD1 ILE 15 8.213 -6.812 1.098 106 3HD1 ILE 15 3HD1 ILE 15 6.570 -7.094 1.589 107 H GLU 16 H GLU 16 7.784 -9.075 6.220 108 HA GLU 16 HA GLU 16 5.434 -8.827 7.675 109 1HB GLU 16 1HB GLU 16 7.639 -10.773 7.564 110 2HB GLU 16 2HB GLU 16 6.872 -10.710 9.141 111 1HG GLU 16 1HG GLU 16 5.388 -11.223 6.533 112 2HG GLU 16 2HG GLU 16 5.792 -12.410 7.776 113 H GLN 17 H GLN 17 8.829 -8.475 8.972 114 HA GLN 17 HA GLN 17 7.733 -8.015 11.648 115 1HB GLN 17 1HB GLN 17 9.712 -9.330 11.196 116 2HB GLN 17 2HB GLN 17 10.509 -7.940 10.455 117 1HG GLN 17 1HG GLN 17 11.377 -8.333 12.670 118 2HG GLN 17 2HG GLN 17 10.529 -6.787 12.630 119 1HE2 GLN 17 1HE2 GLN 17 9.218 -6.512 14.451 120 2HE2 GLN 17 2HE2 GLN 17 8.320 -7.769 15.273 121 H GLY 18 H GLY 18 8.613 -6.182 8.808 122 1HA GLY 18 1HA GLY 18 9.170 -3.651 9.899 123 2HA GLY 18 2HA GLY 18 8.568 -4.021 8.269 124 H PHE 19 H PHE 19 6.227 -5.385 8.813 125 HA PHE 19 HA PHE 19 4.568 -3.098 9.779 126 1HB PHE 19 1HB PHE 19 4.360 -4.786 7.286 127 2HB PHE 19 2HB PHE 19 3.277 -3.474 7.750 128 HD1 PHE 19 1HD PHE 19 4.609 -1.194 8.475 129 HD2 PHE 19 2HD PHE 19 6.197 -4.232 5.900 130 HE1 PHE 19 1HE PHE 19 6.267 0.429 7.601 131 HE2 PHE 19 2HE PHE 19 7.881 -2.618 5.026 132 HZ PHE 19 HZ PHE 19 7.881 -0.271 5.831 133 H LYS 20 H LYS 20 5.245 -6.019 10.772 134 HA LYS 20 HA LYS 20 2.890 -7.212 11.574 135 1HB LYS 20 1HB LYS 20 5.720 -7.268 12.267 136 2HB LYS 20 2HB LYS 20 4.859 -7.182 13.761 137 1HG LYS 20 1HG LYS 20 3.515 -9.175 13.134 138 2HG LYS 20 2HG LYS 20 4.340 -9.248 11.571 139 1HD LYS 20 1HD LYS 20 6.517 -9.611 12.773 140 2HD LYS 20 2HD LYS 20 5.650 -9.523 14.307 141 1HE LYS 20 1HE LYS 20 5.889 -11.823 13.962 142 2HE LYS 20 2HE LYS 20 4.224 -11.495 13.468 143 1HZ LYS 20 1HZ LYS 20 6.525 -11.854 11.613 144 2HZ LYS 20 2HZ LYS 20 5.355 -12.941 11.911 145 3HZ LYS 20 3HZ LYS 20 4.970 -11.550 11.159 146 H ASP 21 H ASP 21 3.608 -4.098 12.143 147 HA ASP 21 HA ASP 21 2.528 -3.560 14.779 148 1HB ASP 21 1HB ASP 21 4.213 -2.188 13.372 149 2HB ASP 21 2HB ASP 21 2.864 -1.686 12.376 150 H VAL 22 H VAL 22 1.187 -3.819 11.500 151 HA VAL 22 HA VAL 22 -1.455 -2.835 12.416 152 HB VAL 22 HB VAL 22 0.176 -1.191 11.220 153 1HG1 VAL 22 1HG1 VAL 22 -0.908 -2.576 8.765 154 2HG1 VAL 22 2HG1 VAL 22 -0.027 -1.040 8.819 155 3HG1 VAL 22 3HG1 VAL 22 0.779 -2.543 9.309 156 1HG2 VAL 22 1HG2 VAL 22 -2.356 -0.858 11.721 157 2HG2 VAL 22 2HG2 VAL 22 -1.389 0.253 10.743 158 3HG2 VAL 22 3HG2 VAL 22 -2.456 -0.855 9.937 159 HA PRO 23 HA PRO 23 -2.741 -6.525 10.509 160 1HB PRO 23 1HB PRO 23 -5.027 -6.114 9.111 161 2HB PRO 23 2HB PRO 23 -4.930 -5.755 10.863 162 1HG PRO 23 1HG PRO 23 -4.730 -3.869 8.524 163 2HG PRO 23 2HG PRO 23 -5.631 -3.665 10.053 164 1HD PRO 23 1HD PRO 23 -3.072 -2.703 9.460 165 2HD PRO 23 2HD PRO 23 -3.685 -2.861 11.139 166 H SER 24 H SER 24 -3.481 -7.619 8.386 167 HA SER 24 HA SER 24 -2.220 -6.462 5.997 168 1HB SER 24 1HB SER 24 -1.062 -8.591 5.476 169 2HB SER 24 2HB SER 24 -0.478 -7.870 6.988 170 HG SER 24 HG SER 24 -0.741 -9.962 7.425 171 H PHE 25 H PHE 25 -2.981 -7.848 3.985 172 HA PHE 25 HA PHE 25 -5.526 -9.297 4.523 173 1HB PHE 25 1HB PHE 25 -6.109 -7.045 3.931 174 2HB PHE 25 2HB PHE 25 -4.944 -7.042 2.596 175 HD1 PHE 25 1HD PHE 25 -5.912 -7.027 0.486 176 HD2 PHE 25 2HD PHE 25 -7.840 -9.254 3.651 177 HE1 PHE 25 1HE PHE 25 -7.660 -7.752 -1.088 178 HE2 PHE 25 2HE PHE 25 -9.581 -9.981 2.050 179 HZ PHE 25 HZ PHE 25 -9.497 -9.237 -0.315 180 H VAL 26 H VAL 26 -6.068 -10.747 2.776 181 HA VAL 26 HA VAL 26 -3.931 -11.417 0.944 182 HB VAL 26 HB VAL 26 -3.706 -12.693 3.083 183 1HG1 VAL 26 1HG1 VAL 26 -5.055 -14.664 3.464 184 2HG1 VAL 26 2HG1 VAL 26 -6.107 -13.235 3.461 185 3HG1 VAL 26 3HG1 VAL 26 -6.059 -14.318 2.049 186 1HG2 VAL 26 1HG2 VAL 26 -2.619 -13.348 0.961 187 2HG2 VAL 26 2HG2 VAL 26 -3.074 -14.762 1.914 188 3HG2 VAL 26 3HG2 VAL 26 -4.060 -14.297 0.516 189 H HIS 27 H HIS 27 -4.863 -11.628 -1.124 190 HA HIS 27 HA HIS 27 -7.582 -12.826 -1.154 191 1HB HIS 27 1HB HIS 27 -7.980 -11.593 -3.265 192 2HB HIS 27 2HB HIS 27 -7.903 -10.638 -1.792 193 HD1 HIS 27 1HD HIS 27 -7.659 -8.692 -3.666 194 HD2 HIS 27 2HD HIS 27 -4.422 -11.291 -3.069 195 HE1 HIS 27 1HE HIS 27 -5.554 -7.503 -4.580 196 H GLU 28 H GLU 28 -7.997 -13.566 -3.436 197 HA GLU 28 HA GLU 28 -6.660 -16.102 -3.429 198 1HB GLU 28 1HB GLU 28 -9.125 -15.591 -3.578 199 2HB GLU 28 2HB GLU 28 -8.895 -15.140 -5.266 200 1HG GLU 28 1HG GLU 28 -8.344 -17.430 -5.861 201 2HG GLU 28 2HG GLU 28 -8.081 -17.860 -4.165 202 H GLY 29 H GLY 29 -4.863 -14.048 -4.487 203 1HA GLY 29 1HA GLY 29 -3.411 -13.682 -6.290 204 2HA GLY 29 2HA GLY 29 -3.995 -15.188 -7.022 205 H GLY 30 H GLY 30 -3.770 -13.643 -9.014 206 1HA GLY 30 1HA GLY 30 -4.959 -12.724 -10.710 207 2HA GLY 30 2HA GLY 30 -6.367 -12.524 -9.650 208 H ASP 31 H ASP 31 -4.634 -10.596 -11.447 209 HA ASP 31 HA ASP 31 -3.652 -8.643 -9.558 210 1HB ASP 31 1HB ASP 31 -3.388 -7.136 -11.306 211 2HB ASP 31 2HB ASP 31 -2.890 -8.713 -11.927 212 H VAL 32 H VAL 32 -4.560 -6.529 -9.059 213 HA VAL 32 HA VAL 32 -7.438 -6.264 -9.170 214 HB VAL 32 HB VAL 32 -5.938 -7.282 -6.810 215 1HG1 VAL 32 1HG1 VAL 32 -7.334 -5.397 -5.935 216 2HG1 VAL 32 2HG1 VAL 32 -8.777 -6.184 -6.613 217 3HG1 VAL 32 3HG1 VAL 32 -7.880 -6.944 -5.301 218 1HG2 VAL 32 1HG2 VAL 32 -6.925 -9.145 -7.965 219 2HG2 VAL 32 2HG2 VAL 32 -7.898 -8.911 -6.534 220 3HG2 VAL 32 3HG2 VAL 32 -8.482 -8.316 -8.108 221 HA PRO 33 HA PRO 33 -5.597 -2.411 -8.862 222 1HB PRO 33 1HB PRO 33 -7.710 -0.708 -8.824 223 2HB PRO 33 2HB PRO 33 -7.441 -1.837 -10.191 224 1HG PRO 33 1HG PRO 33 -9.231 -2.278 -7.815 225 2HG PRO 33 2HG PRO 33 -9.667 -2.412 -9.555 226 1HD PRO 33 1HD PRO 33 -8.911 -4.610 -8.093 227 2HD PRO 33 2HD PRO 33 -8.376 -4.416 -9.790 228 H LEU 34 H LEU 34 -4.787 -0.817 -7.598 229 HA LEU 34 HA LEU 34 -4.568 -1.184 -4.984 230 1HB LEU 34 1HB LEU 34 -3.870 1.124 -4.719 231 2HB LEU 34 2HB LEU 34 -3.018 0.028 -5.789 232 HG LEU 34 HG LEU 34 -3.290 1.184 -7.576 233 1HD1 LEU 34 1HD1 LEU 34 -4.990 2.938 -8.126 234 2HD1 LEU 34 2HD1 LEU 34 -5.605 1.296 -8.010 235 3HD1 LEU 34 3HD1 LEU 34 -5.859 2.437 -6.677 236 1HD2 LEU 34 1HD2 LEU 34 -3.468 3.796 -6.485 237 2HD2 LEU 34 2HD2 LEU 34 -2.482 2.723 -5.463 238 3HD2 LEU 34 3HD2 LEU 34 -2.118 2.900 -7.168 239 H VAL 35 H VAL 35 -7.132 0.626 -6.468 240 HA VAL 35 HA VAL 35 -8.415 1.690 -4.079 241 HB VAL 35 HB VAL 35 -8.249 2.558 -6.558 242 1HG1 VAL 35 1HG1 VAL 35 -9.183 0.504 -7.615 243 2HG1 VAL 35 2HG1 VAL 35 -10.767 0.929 -6.946 244 3HG1 VAL 35 3HG1 VAL 35 -9.967 2.011 -8.096 245 1HG2 VAL 35 1HG2 VAL 35 -10.910 2.780 -5.132 246 2HG2 VAL 35 2HG2 VAL 35 -9.462 3.763 -4.826 247 3HG2 VAL 35 3HG2 VAL 35 -10.278 3.837 -6.405 248 H GLU 36 H GLU 36 -8.550 -1.447 -5.375 249 HA GLU 36 HA GLU 36 -11.103 -1.862 -3.871 250 1HB GLU 36 1HB GLU 36 -9.600 -3.630 -5.843 251 2HB GLU 36 2HB GLU 36 -10.915 -4.199 -4.813 252 1HG GLU 36 1HG GLU 36 -11.136 -1.935 -6.846 253 2HG GLU 36 2HG GLU 36 -11.695 -3.583 -7.072 254 H LEU 37 H LEU 37 -7.494 -2.562 -3.971 255 HA LEU 37 HA LEU 37 -8.043 -4.692 -2.043 256 1HB LEU 37 1HB LEU 37 -5.716 -5.214 -2.133 257 2HB LEU 37 2HB LEU 37 -6.481 -5.235 -3.706 258 HG LEU 37 HG LEU 37 -5.404 -3.014 -4.224 259 1HD1 LEU 37 1HD1 LEU 37 -3.290 -2.524 -2.857 260 2HD1 LEU 37 2HD1 LEU 37 -4.806 -2.007 -2.157 261 3HD1 LEU 37 3HD1 LEU 37 -4.032 -3.490 -1.563 262 1HD2 LEU 37 1HD2 LEU 37 -3.845 -5.549 -3.605 263 2HD2 LEU 37 2HD2 LEU 37 -4.468 -4.964 -5.155 264 3HD2 LEU 37 3HD2 LEU 37 -3.093 -4.157 -4.403 265 H LEU 38 H LEU 38 -7.266 -1.207 -1.943 266 HA LEU 38 HA LEU 38 -6.315 -1.585 0.656 267 1HB LEU 38 1HB LEU 38 -5.876 0.608 0.815 268 2HB LEU 38 2HB LEU 38 -5.825 0.441 -0.907 269 HG LEU 38 HG LEU 38 -8.360 1.437 0.549 270 1HD1 LEU 38 1HD1 LEU 38 -7.408 3.718 -0.115 271 2HD1 LEU 38 2HD1 LEU 38 -6.839 2.909 1.352 272 3HD1 LEU 38 3HD1 LEU 38 -5.828 2.883 -0.091 273 1HD2 LEU 38 1HD2 LEU 38 -7.290 1.584 -2.272 274 2HD2 LEU 38 2HD2 LEU 38 -8.798 0.836 -1.744 275 3HD2 LEU 38 3HD2 LEU 38 -8.606 2.596 -1.736 276 H VAL 39 H VAL 39 -9.364 -1.067 -0.905 277 HA VAL 39 HA VAL 39 -10.940 -0.234 1.364 278 HB VAL 39 HB VAL 39 -11.034 -0.499 -1.458 279 1HG1 VAL 39 1HG1 VAL 39 -12.482 -2.510 -1.330 280 2HG1 VAL 39 2HG1 VAL 39 -13.607 -1.622 -0.278 281 3HG1 VAL 39 3HG1 VAL 39 -13.354 -1.121 -1.958 282 1HG2 VAL 39 1HG2 VAL 39 -13.018 0.802 0.420 283 2HG2 VAL 39 2HG2 VAL 39 -11.519 1.502 -0.241 284 3HG2 VAL 39 3HG2 VAL 39 -12.853 1.118 -1.326 285 H SER 40 H SER 40 -10.487 -3.307 -0.411 286 HA SER 40 HA SER 40 -11.928 -5.035 1.293 287 1HB SER 40 1HB SER 40 -10.023 -5.117 -1.019 288 2HB SER 40 2HB SER 40 -9.990 -6.472 0.029 289 HG SER 40 HG SER 40 -12.139 -5.491 -1.536 290 H ALA 41 H ALA 41 -8.442 -3.884 1.231 291 HA ALA 41 HA ALA 41 -7.905 -5.679 3.466 292 1HB ALA 41 1HB ALA 41 -5.719 -4.535 3.567 293 2HB ALA 41 2HB ALA 41 -6.121 -5.159 1.956 294 3HB ALA 41 3HB ALA 41 -6.259 -3.442 2.268 295 H GLY 42 H GLY 42 -9.064 -2.326 3.231 296 1HA GLY 42 1HA GLY 42 -10.549 -1.571 4.895 297 2HA GLY 42 2HA GLY 42 -9.802 -2.644 6.090 298 H ILE 43 H ILE 43 -8.081 -0.641 3.820 299 HA ILE 43 HA ILE 43 -6.593 0.858 5.835 300 HB ILE 43 HB ILE 43 -6.817 0.855 2.809 301 1HG1 ILE 43 1HG1 ILE 43 -4.702 -0.110 2.533 302 2HG1 ILE 43 2HG1 ILE 43 -4.188 0.248 4.147 303 1HG2 ILE 43 1HG2 ILE 43 -4.847 2.481 4.521 304 2HG2 ILE 43 2HG2 ILE 43 -4.798 2.379 2.746 305 3HG2 ILE 43 3HG2 ILE 43 -6.156 3.164 3.554 306 1HD1 ILE 43 1HD1 ILE 43 -5.590 -1.535 5.059 307 2HD1 ILE 43 2HD1 ILE 43 -6.331 -1.759 3.472 308 3HD1 ILE 43 3HD1 ILE 43 -4.623 -2.170 3.712 309 H SER 44 H SER 44 -9.116 1.455 3.198 310 HA SER 44 HA SER 44 -10.128 3.821 4.705 311 1HB SER 44 1HB SER 44 -8.921 3.966 1.930 312 2HB SER 44 2HB SER 44 -9.891 5.229 2.720 313 HG SER 44 HG SER 44 -7.625 5.636 3.146 314 HA PRO 45 HA PRO 45 -13.173 0.992 3.079 315 1HB PRO 45 1HB PRO 45 -15.204 1.414 4.854 316 2HB PRO 45 2HB PRO 45 -13.690 0.589 5.336 317 1HG PRO 45 1HG PRO 45 -14.401 3.503 5.735 318 2HG PRO 45 2HG PRO 45 -13.762 2.339 6.942 319 1HD PRO 45 1HD PRO 45 -12.146 4.069 5.568 320 2HD PRO 45 2HD PRO 45 -11.595 2.423 6.012 321 H SER 46 H SER 46 -13.366 4.414 3.147 322 HA SER 46 HA SER 46 -16.147 4.459 2.091 323 1HB SER 46 1HB SER 46 -15.717 5.979 3.931 324 2HB SER 46 2HB SER 46 -14.349 6.645 3.038 325 HG SER 46 HG SER 46 -17.106 6.942 2.559 326 H LYS 47 H LYS 47 -16.106 4.036 -0.141 327 HA LYS 47 HA LYS 47 -13.764 3.894 -1.549 328 1HB LYS 47 1HB LYS 47 -16.637 4.037 -2.432 329 2HB LYS 47 2HB LYS 47 -15.364 4.158 -3.660 330 1HG LYS 47 1HG LYS 47 -14.318 2.104 -2.893 331 2HG LYS 47 2HG LYS 47 -15.511 1.923 -1.595 332 1HD LYS 47 1HD LYS 47 -17.291 1.539 -3.188 333 2HD LYS 47 2HD LYS 47 -16.230 1.963 -4.561 334 1HE LYS 47 1HE LYS 47 -14.775 0.062 -4.100 335 2HE LYS 47 2HE LYS 47 -15.669 -0.319 -2.627 336 1HZ LYS 47 1HZ LYS 47 -17.553 -0.934 -3.944 337 2HZ LYS 47 2HZ LYS 47 -16.835 -0.441 -5.347 338 3HZ LYS 47 3HZ LYS 47 -16.248 -1.729 -4.493 339 H ARG 48 H ARG 48 -15.747 6.930 -1.502 340 HA ARG 48 HA ARG 48 -14.002 8.209 -3.384 341 1HB ARG 48 1HB ARG 48 -16.282 9.039 -2.182 342 2HB ARG 48 2HB ARG 48 -15.141 9.888 -1.152 343 1HG ARG 48 1HG ARG 48 -15.649 10.160 -4.110 344 2HG ARG 48 2HG ARG 48 -15.774 11.391 -2.862 345 1HD ARG 48 1HD ARG 48 -13.214 10.260 -4.076 346 2HD ARG 48 2HD ARG 48 -13.940 11.814 -4.404 347 HE ARG 48 HE ARG 48 -12.470 10.950 -1.996 348 1HH1 ARG 48 2HH2 ARG 48 -13.545 13.634 -4.008 349 2HH1 ARG 48 1HH2 ARG 48 -12.958 14.879 -2.969 350 1HH2 ARG 48 2HH1 ARG 48 -11.578 12.607 -0.580 351 2HH2 ARG 48 1HH1 ARG 48 -11.622 14.237 -1.132 352 H GLN 49 H GLN 49 -13.803 7.874 0.185 353 HA GLN 49 HA GLN 49 -11.573 9.660 0.533 354 1HB GLN 49 1HB GLN 49 -13.280 8.416 2.243 355 2HB GLN 49 2HB GLN 49 -11.964 7.243 2.319 356 1HG GLN 49 1HG GLN 49 -11.707 10.229 2.907 357 2HG GLN 49 2HG GLN 49 -11.929 8.967 4.117 358 1HE2 GLN 49 1HE2 GLN 49 -9.599 10.338 1.776 359 2HE2 GLN 49 2HE2 GLN 49 -8.237 9.411 2.367 360 H ALA 50 H ALA 50 -11.939 6.149 0.218 361 HA ALA 50 HA ALA 50 -9.343 5.341 0.220 362 1HB ALA 50 1HB ALA 50 -10.170 3.312 -0.544 363 2HB ALA 50 2HB ALA 50 -11.662 4.042 0.016 364 3HB ALA 50 3HB ALA 50 -11.280 4.044 -1.716 365 H ARG 51 H ARG 51 -11.339 6.376 -2.574 366 HA ARG 51 HA ARG 51 -9.391 6.082 -4.544 367 1HB ARG 51 1HB ARG 51 -11.937 7.677 -4.292 368 2HB ARG 51 2HB ARG 51 -10.781 8.273 -5.475 369 1HG ARG 51 1HG ARG 51 -10.650 6.064 -6.523 370 2HG ARG 51 2HG ARG 51 -11.895 5.444 -5.398 371 1HD ARG 51 1HD ARG 51 -13.543 6.943 -6.288 372 2HD ARG 51 2HD ARG 51 -12.318 7.890 -7.141 373 HE ARG 51 HE ARG 51 -11.862 5.999 -8.581 374 1HH1 ARG 51 2HH2 ARG 51 -15.083 6.048 -7.009 375 2HH1 ARG 51 1HH2 ARG 51 -15.794 5.014 -8.207 376 1HH2 ARG 51 2HH1 ARG 51 -12.776 4.560 -10.022 377 2HH2 ARG 51 1HH1 ARG 51 -14.459 4.194 -10.033 378 H GLU 52 H GLU 52 -9.949 8.912 -2.452 379 HA GLU 52 HA GLU 52 -7.751 10.300 -3.885 380 1HB GLU 52 1HB GLU 52 -9.581 11.570 -2.670 381 2HB GLU 52 2HB GLU 52 -8.937 10.939 -1.145 382 1HG GLU 52 1HG GLU 52 -6.729 12.072 -1.632 383 2HG GLU 52 2HG GLU 52 -7.386 12.649 -3.156 384 H ASP 53 H ASP 53 -8.030 8.289 -0.975 385 HA ASP 53 HA ASP 53 -5.345 8.532 -0.196 386 1HB ASP 53 1HB ASP 53 -7.694 6.724 0.280 387 2HB ASP 53 2HB ASP 53 -6.141 6.045 0.543 388 H ILE 54 H ILE 54 -6.738 6.957 -2.883 389 HA ILE 54 HA ILE 54 -4.224 5.640 -3.452 390 HB ILE 54 HB ILE 54 -7.009 5.029 -3.962 391 1HG1 ILE 54 1HG1 ILE 54 -5.977 2.859 -4.548 392 2HG1 ILE 54 2HG1 ILE 54 -4.373 3.646 -4.457 393 1HG2 ILE 54 1HG2 ILE 54 -5.422 4.914 -6.543 394 2HG2 ILE 54 2HG2 ILE 54 -7.045 4.283 -6.236 395 3HG2 ILE 54 3HG2 ILE 54 -6.779 6.009 -6.210 396 1HD1 ILE 54 1HD1 ILE 54 -5.144 2.351 -2.410 397 2HD1 ILE 54 2HD1 ILE 54 -4.594 4.005 -2.117 398 3HD1 ILE 54 3HD1 ILE 54 -6.331 3.674 -2.193 399 H GLN 55 H GLN 55 -6.088 8.338 -4.652 400 HA GLN 55 HA GLN 55 -4.513 8.588 -7.103 401 1HB GLN 55 1HB GLN 55 -6.682 10.227 -5.746 402 2HB GLN 55 2HB GLN 55 -5.904 10.729 -7.232 403 1HG GLN 55 1HG GLN 55 -6.686 8.832 -8.457 404 2HG GLN 55 2HG GLN 55 -7.325 8.059 -7.011 405 1HE2 GLN 55 1HE2 GLN 55 -8.271 9.920 -9.651 406 2HE2 GLN 55 2HE2 GLN 55 -9.548 10.887 -8.893 407 H ASN 56 H ASN 56 -4.191 9.445 -3.812 408 HA ASN 56 HA ASN 56 -2.546 11.829 -4.572 409 1HB ASN 56 1HB ASN 56 -3.617 10.965 -1.866 410 2HB ASN 56 2HB ASN 56 -2.337 12.133 -2.030 411 1HD2 ASN 56 1HD2 ASN 56 -4.533 12.308 -4.722 412 2HD2 ASN 56 2HD2 ASN 56 -5.336 13.767 -4.257 413 H GLY 57 H GLY 57 -0.583 12.143 -4.109 414 1HA GLY 57 1HA GLY 57 1.247 9.947 -4.043 415 2HA GLY 57 2HA GLY 57 1.653 11.667 -3.835 416 H ALA 58 H ALA 58 -0.692 10.432 -1.624 417 HA ALA 58 HA ALA 58 1.199 10.441 0.638 418 1HB ALA 58 1HB ALA 58 -0.915 11.750 0.829 419 2HB ALA 58 2HB ALA 58 -1.845 10.263 0.537 420 3HB ALA 58 3HB ALA 58 -0.830 10.426 1.999 421 H ILE 59 H ILE 59 -0.239 8.210 -1.674 422 HA ILE 59 HA ILE 59 0.241 5.943 0.199 423 HB ILE 59 HB ILE 59 -1.818 5.995 -0.542 424 1HG1 ILE 59 1HG1 ILE 59 -0.972 3.896 -0.194 425 2HG1 ILE 59 2HG1 ILE 59 -2.287 3.908 -1.361 426 1HG2 ILE 59 1HG2 ILE 59 -0.718 6.405 -3.346 427 2HG2 ILE 59 2HG2 ILE 59 -2.182 5.456 -3.201 428 3HG2 ILE 59 3HG2 ILE 59 -2.168 7.102 -2.582 429 1HD1 ILE 59 1HD1 ILE 59 -0.556 3.784 -3.216 430 2HD1 ILE 59 2HD1 ILE 59 0.663 3.511 -1.946 431 3HD1 ILE 59 3HD1 ILE 59 -0.676 2.360 -2.175 432 H TYR 60 H TYR 60 2.268 6.134 0.407 433 HA TYR 60 HA TYR 60 4.103 5.778 -1.812 434 1HB TYR 60 1HB TYR 60 4.617 5.773 1.155 435 2HB TYR 60 2HB TYR 60 5.780 6.011 -0.121 436 HD1 TYR 60 1HD TYR 60 5.843 8.219 -1.324 437 HD2 TYR 60 2HD TYR 60 3.137 7.614 1.978 438 HE1 TYR 60 1HE TYR 60 5.673 10.662 -1.014 439 HE2 TYR 60 2HE TYR 60 3.020 10.033 2.337 440 HH TYR 60 HH TYR 60 4.852 12.360 0.299 441 H VAL 61 H VAL 61 3.920 3.778 -2.703 442 HA VAL 61 HA VAL 61 3.090 1.499 -0.967 443 HB VAL 61 HB VAL 61 2.101 1.864 -3.301 444 1HG1 VAL 61 1HG1 VAL 61 4.256 2.451 -4.461 445 2HG1 VAL 61 2HG1 VAL 61 4.781 0.781 -4.284 446 3HG1 VAL 61 3HG1 VAL 61 3.374 1.144 -5.263 447 1HG2 VAL 61 1HG2 VAL 61 1.850 -0.266 -2.223 448 2HG2 VAL 61 2HG2 VAL 61 2.241 -0.560 -3.917 449 3HG2 VAL 61 3HG2 VAL 61 3.490 -0.761 -2.671 450 H ASN 62 H ASN 62 4.831 0.082 -0.248 451 HA ASN 62 HA ASN 62 7.114 -0.683 -0.091 452 1HB ASN 62 1HB ASN 62 6.319 -0.389 -2.946 453 2HB ASN 62 2HB ASN 62 8.033 -0.435 -2.678 454 1HD2 ASN 62 1HD2 ASN 62 4.912 -2.060 -2.093 455 2HD2 ASN 62 2HD2 ASN 62 5.665 -3.664 -2.103 456 H GLY 63 H GLY 63 6.506 2.350 0.189 457 1HA GLY 63 1HA GLY 63 7.894 4.024 1.097 458 2HA GLY 63 2HA GLY 63 9.312 3.259 0.394 459 H GLU 64 H GLU 64 6.808 3.531 -2.025 460 HA GLU 64 HA GLU 64 8.232 5.817 -3.225 461 1HB GLU 64 1HB GLU 64 9.042 3.568 -3.844 462 2HB GLU 64 2HB GLU 64 7.440 3.194 -4.472 463 1HG GLU 64 1HG GLU 64 7.657 4.761 -6.260 464 2HG GLU 64 2HG GLU 64 8.990 5.607 -5.459 465 H ARG 65 H ARG 65 6.809 7.376 -3.765 466 HA ARG 65 HA ARG 65 3.981 7.236 -3.309 467 1HB ARG 65 1HB ARG 65 5.045 9.325 -3.048 468 2HB ARG 65 2HB ARG 65 5.954 9.183 -4.526 469 1HG ARG 65 1HG ARG 65 3.053 9.274 -5.039 470 2HG ARG 65 2HG ARG 65 3.633 10.652 -4.074 471 1HD ARG 65 1HD ARG 65 5.244 11.289 -5.677 472 2HD ARG 65 2HD ARG 65 5.087 9.763 -6.559 473 HE ARG 65 HE ARG 65 2.669 11.442 -6.495 474 1HH1 ARG 65 2HH2 ARG 65 5.672 10.679 -8.243 475 2HH1 ARG 65 1HH2 ARG 65 5.077 11.164 -9.792 476 1HH2 ARG 65 2HH1 ARG 65 1.855 12.015 -8.492 477 2HH2 ARG 65 1HH1 ARG 65 2.848 11.965 -9.937 478 H LEU 66 H LEU 66 2.694 5.847 -4.503 479 HA LEU 66 HA LEU 66 2.812 6.095 -7.467 480 1HB LEU 66 1HB LEU 66 3.156 3.576 -5.943 481 2HB LEU 66 2HB LEU 66 2.525 3.603 -7.585 482 HG LEU 66 HG LEU 66 5.244 4.695 -6.719 483 1HD1 LEU 66 1HD1 LEU 66 5.136 2.264 -6.635 484 2HD1 LEU 66 2HD1 LEU 66 4.500 2.215 -8.300 485 3HD1 LEU 66 3HD1 LEU 66 6.147 2.819 -7.970 486 1HD2 LEU 66 1HD2 LEU 66 4.040 4.422 -9.521 487 2HD2 LEU 66 2HD2 LEU 66 4.511 5.939 -8.716 488 3HD2 LEU 66 3HD2 LEU 66 5.738 4.780 -9.170 489 H GLN 67 H GLN 67 0.894 7.058 -7.751 490 HA GLN 67 HA GLN 67 -1.512 5.840 -6.507 491 1HB GLN 67 1HB GLN 67 -2.313 8.310 -6.657 492 2HB GLN 67 2HB GLN 67 -1.243 7.861 -5.351 493 1HG GLN 67 1HG GLN 67 -0.874 10.084 -6.185 494 2HG GLN 67 2HG GLN 67 0.561 9.152 -6.395 495 1HE2 GLN 67 1HE2 GLN 67 1.358 9.028 -8.676 496 2HE2 GLN 67 2HE2 GLN 67 0.427 9.698 -9.994 497 H ASP 68 H ASP 68 -1.362 4.519 -8.649 498 HA ASP 68 HA ASP 68 -3.622 5.632 -10.019 499 1HB ASP 68 1HB ASP 68 -1.248 6.250 -11.120 500 2HB ASP 68 2HB ASP 68 -1.364 4.598 -11.703 501 H VAL 69 H VAL 69 -4.790 3.896 -11.057 502 HA VAL 69 HA VAL 69 -4.330 1.158 -10.249 503 HB VAL 69 HB VAL 69 -6.485 2.330 -10.908 504 1HG1 VAL 69 1HG1 VAL 69 -5.631 1.883 -13.790 505 2HG1 VAL 69 2HG1 VAL 69 -7.175 2.520 -13.207 506 3HG1 VAL 69 3HG1 VAL 69 -5.711 3.462 -12.996 507 1HG2 VAL 69 1HG2 VAL 69 -6.113 -0.162 -10.767 508 2HG2 VAL 69 2HG2 VAL 69 -7.517 0.374 -11.703 509 3HG2 VAL 69 3HG2 VAL 69 -6.040 -0.170 -12.541 510 H GLY 70 H GLY 70 -3.315 3.194 -12.942 511 1HA GLY 70 1HA GLY 70 -2.018 1.154 -14.439 512 2HA GLY 70 2HA GLY 70 -1.628 2.878 -14.489 513 H ALA 71 H ALA 71 -1.192 2.524 -11.488 514 HA ALA 71 HA ALA 71 1.723 2.101 -11.793 515 1HB ALA 71 1HB ALA 71 0.933 4.266 -10.830 516 2HB ALA 71 2HB ALA 71 0.275 3.371 -9.434 517 3HB ALA 71 3HB ALA 71 2.012 3.350 -9.772 518 H ILE 72 H ILE 72 -1.006 1.017 -9.553 519 HA ILE 72 HA ILE 72 0.644 -1.371 -9.011 520 HB ILE 72 HB ILE 72 -0.862 -0.039 -6.876 521 1HG1 ILE 72 1HG1 ILE 72 2.143 0.246 -6.923 522 2HG1 ILE 72 2HG1 ILE 72 1.232 1.421 -7.833 523 1HG2 ILE 72 1HG2 ILE 72 -0.144 -2.460 -6.631 524 2HG2 ILE 72 2HG2 ILE 72 1.528 -2.001 -6.969 525 3HG2 ILE 72 3HG2 ILE 72 0.737 -1.456 -5.482 526 1HD1 ILE 72 1HD1 ILE 72 0.619 0.814 -4.937 527 2HD1 ILE 72 2HD1 ILE 72 1.462 2.249 -5.568 528 3HD1 ILE 72 3HD1 ILE 72 -0.222 1.973 -5.984 529 H LEU 73 H LEU 73 -0.637 -3.282 -9.281 530 HA LEU 73 HA LEU 73 -3.477 -3.101 -8.708 531 1HB LEU 73 1HB LEU 73 -2.043 -4.946 -10.593 532 2HB LEU 73 2HB LEU 73 -3.734 -5.044 -10.110 533 HG LEU 73 HG LEU 73 -2.509 -2.616 -11.515 534 1HD1 LEU 73 1HD1 LEU 73 -3.628 -3.414 -13.495 535 2HD1 LEU 73 2HD1 LEU 73 -2.633 -4.745 -12.905 536 3HD1 LEU 73 3HD1 LEU 73 -4.373 -4.739 -12.596 537 1HD2 LEU 73 1HD2 LEU 73 -5.377 -3.223 -10.845 538 2HD2 LEU 73 2HD2 LEU 73 -4.358 -1.801 -10.364 539 3HD2 LEU 73 3HD2 LEU 73 -4.839 -2.026 -12.031 540 H THR 74 H THR 74 -1.417 -5.989 -8.927 541 HA THR 74 HA THR 74 -1.712 -6.337 -6.066 542 HB THR 74 HB THR 74 -0.847 -8.706 -7.047 543 HG1 THR 74 1HG THR 74 -1.481 -8.953 -9.174 544 1HG2 THR 74 1HG2 THR 74 -3.181 -9.250 -7.282 545 2HG2 THR 74 2HG2 THR 74 -3.004 -8.133 -5.939 546 3HG2 THR 74 3HG2 THR 74 -3.614 -7.529 -7.484 547 H ALA 75 H ALA 75 0.078 -8.147 -5.411 548 HA ALA 75 HA ALA 75 2.421 -6.711 -4.734 549 1HB ALA 75 1HB ALA 75 1.736 -9.711 -4.823 550 2HB ALA 75 2HB ALA 75 3.198 -9.062 -4.082 551 3HB ALA 75 3HB ALA 75 1.606 -8.642 -3.406 552 H GLU 76 H GLU 76 1.863 -9.111 -7.392 553 HA GLU 76 HA GLU 76 4.586 -8.958 -8.309 554 1HB GLU 76 1HB GLU 76 3.723 -9.897 -10.395 555 2HB GLU 76 2HB GLU 76 3.256 -10.834 -9.007 556 1HG GLU 76 1HG GLU 76 1.061 -10.532 -9.331 557 2HG GLU 76 2HG GLU 76 1.208 -8.811 -9.663 558 H HIS 77 H HIS 77 2.001 -6.742 -8.449 559 HA HIS 77 HA HIS 77 3.030 -5.360 -10.834 560 1HB HIS 77 1HB HIS 77 0.552 -5.830 -10.177 561 2HB HIS 77 2HB HIS 77 0.768 -4.506 -9.046 562 HD1 HIS 77 1HD HIS 77 1.737 -2.127 -10.336 563 HD2 HIS 77 2HD HIS 77 -0.486 -5.041 -12.379 564 HE1 HIS 77 1HE HIS 77 0.212 -0.904 -11.845 565 H ARG 78 H ARG 78 3.953 -5.602 -7.567 566 HA ARG 78 HA ARG 78 5.081 -2.879 -7.794 567 1HB ARG 78 1HB ARG 78 3.376 -3.443 -5.838 568 2HB ARG 78 2HB ARG 78 4.819 -4.072 -5.082 569 1HG ARG 78 1HG ARG 78 4.053 -1.252 -5.764 570 2HG ARG 78 2HG ARG 78 4.667 -1.921 -4.285 571 1HD ARG 78 1HD ARG 78 6.457 -0.603 -4.986 572 2HD ARG 78 2HD ARG 78 6.954 -2.187 -5.587 573 HE ARG 78 HE ARG 78 5.478 -0.913 -7.626 574 1HH1 ARG 78 2HH2 ARG 78 8.475 0.026 -5.884 575 2HH1 ARG 78 1HH2 ARG 78 8.827 1.210 -7.101 576 1HH2 ARG 78 2HH1 ARG 78 6.318 0.180 -9.355 577 2HH2 ARG 78 1HH1 ARG 78 7.880 0.873 -9.282 578 H LEU 79 H LEU 79 5.800 -6.002 -5.936 579 HA LEU 79 HA LEU 79 8.577 -5.896 -6.661 580 1HB LEU 79 1HB LEU 79 8.226 -7.891 -4.835 581 2HB LEU 79 2HB LEU 79 8.670 -6.242 -4.444 582 HG LEU 79 HG LEU 79 5.831 -7.177 -4.288 583 1HD1 LEU 79 1HD1 LEU 79 8.113 -7.318 -2.227 584 2HD1 LEU 79 2HD1 LEU 79 6.424 -7.479 -1.782 585 3HD1 LEU 79 3HD1 LEU 79 7.173 -8.686 -2.858 586 1HD2 LEU 79 1HD2 LEU 79 7.105 -5.204 -2.399 587 2HD2 LEU 79 2HD2 LEU 79 6.768 -4.629 -4.025 588 3HD2 LEU 79 3HD2 LEU 79 5.446 -5.280 -3.049 589 H GLU 80 H GLU 80 9.210 -8.447 -6.590 590 HA GLU 80 HA GLU 80 8.530 -9.654 -8.987 591 1HB GLU 80 1HB GLU 80 9.659 -11.625 -8.041 592 2HB GLU 80 2HB GLU 80 10.553 -10.142 -7.688 593 1HG GLU 80 1HG GLU 80 9.819 -10.113 -5.397 594 2HG GLU 80 2HG GLU 80 8.579 -11.329 -5.683 595 H GLY 81 H GLY 81 6.369 -9.393 -6.446 596 1HA GLY 81 1HA GLY 81 4.216 -10.285 -6.444 597 2HA GLY 81 2HA GLY 81 4.787 -11.653 -7.392 598 H ARG 82 H ARG 82 5.012 -10.066 -4.241 599 HA ARG 82 HA ARG 82 4.894 -12.720 -2.913 600 1HB ARG 82 1HB ARG 82 7.319 -11.262 -3.158 601 2HB ARG 82 2HB ARG 82 6.768 -10.896 -1.540 602 1HG ARG 82 1HG ARG 82 8.175 -12.804 -1.405 603 2HG ARG 82 2HG ARG 82 6.521 -13.386 -1.133 604 1HD ARG 82 1HD ARG 82 6.409 -14.171 -3.476 605 2HD ARG 82 2HD ARG 82 8.006 -13.497 -3.807 606 HE ARG 82 HE ARG 82 7.396 -15.655 -1.841 607 1HH1 ARG 82 2HH2 ARG 82 9.608 -14.417 -4.376 608 2HH1 ARG 82 1HH2 ARG 82 10.424 -15.910 -4.589 609 1HH2 ARG 82 2HH1 ARG 82 8.782 -17.426 -1.769 610 2HH2 ARG 82 1HH1 ARG 82 10.155 -17.558 -2.819 611 H PHE 83 H PHE 83 5.158 -9.235 -2.062 612 HA PHE 83 HA PHE 83 2.562 -9.297 -0.677 613 1HB PHE 83 1HB PHE 83 5.234 -8.398 0.482 614 2HB PHE 83 2HB PHE 83 3.682 -8.047 1.206 615 HD1 PHE 83 1HD PHE 83 6.192 -10.707 0.575 616 HD2 PHE 83 2HD PHE 83 2.504 -9.682 2.567 617 HE1 PHE 83 1HE PHE 83 6.328 -12.788 1.911 618 HE2 PHE 83 2HE PHE 83 2.761 -11.664 4.020 619 HZ PHE 83 HZ PHE 83 4.596 -13.261 3.645 620 H THR 84 H THR 84 2.299 -6.738 0.003 621 HA THR 84 HA THR 84 4.057 -4.944 -1.423 622 HB THR 84 HB THR 84 1.390 -5.567 -2.460 623 HG1 THR 84 1HG THR 84 2.240 -4.584 -4.176 624 1HG2 THR 84 1HG2 THR 84 0.531 -3.605 -1.193 625 2HG2 THR 84 2HG2 THR 84 1.846 -2.613 -1.841 626 3HG2 THR 84 3HG2 THR 84 0.600 -3.270 -2.925 627 H VAL 85 H VAL 85 4.277 -3.072 -0.116 628 HA VAL 85 HA VAL 85 2.557 -2.931 2.309 629 HB VAL 85 HB VAL 85 5.361 -1.919 1.772 630 1HG1 VAL 85 1HG1 VAL 85 5.387 -1.109 4.110 631 2HG1 VAL 85 2HG1 VAL 85 4.241 -0.206 3.143 632 3HG1 VAL 85 3HG1 VAL 85 3.657 -1.464 4.265 633 1HG2 VAL 85 1HG2 VAL 85 5.937 -3.416 3.618 634 2HG2 VAL 85 2HG2 VAL 85 4.242 -3.882 3.825 635 3HG2 VAL 85 3HG2 VAL 85 5.131 -4.346 2.355 636 H ILE 86 H ILE 86 1.639 -1.010 2.765 637 HA ILE 86 HA ILE 86 1.320 1.033 0.614 638 HB ILE 86 HB ILE 86 -0.500 -0.322 2.645 639 1HG1 ILE 86 1HG1 ILE 86 -0.112 -1.645 0.520 640 2HG1 ILE 86 2HG1 ILE 86 -1.797 -1.198 0.745 641 1HG2 ILE 86 1HG2 ILE 86 -1.084 2.041 0.825 642 2HG2 ILE 86 2HG2 ILE 86 -2.390 1.054 1.517 643 3HG2 ILE 86 3HG2 ILE 86 -1.299 1.946 2.574 644 1HD1 ILE 86 1HD1 ILE 86 0.099 0.400 -1.032 645 2HD1 ILE 86 2HD1 ILE 86 -0.937 -0.911 -1.620 646 3HD1 ILE 86 3HD1 ILE 86 -1.659 0.551 -0.928 647 H ARG 87 H ARG 87 2.508 2.822 1.529 648 HA ARG 87 HA ARG 87 1.939 3.321 4.433 649 1HB ARG 87 1HB ARG 87 4.348 3.365 3.985 650 2HB ARG 87 2HB ARG 87 4.116 4.325 2.568 651 1HG ARG 87 1HG ARG 87 3.335 6.254 4.024 652 2HG ARG 87 2HG ARG 87 3.825 5.296 5.426 653 1HD ARG 87 1HD ARG 87 6.139 5.243 4.629 654 2HD ARG 87 2HD ARG 87 5.662 5.861 3.055 655 HE ARG 87 HE ARG 87 5.064 7.684 5.248 656 1HH1 ARG 87 2HH2 ARG 87 7.726 6.621 3.133 657 2HH1 ARG 87 1HH2 ARG 87 8.361 8.202 2.912 658 1HH2 ARG 87 2HH1 ARG 87 6.027 9.747 5.105 659 2HH2 ARG 87 1HH1 ARG 87 7.406 10.017 4.085 660 H ARG 88 H ARG 88 -0.263 3.739 3.763 661 HA ARG 88 HA ARG 88 -0.806 6.024 2.053 662 1HB ARG 88 1HB ARG 88 -2.339 4.187 1.986 663 2HB ARG 88 2HB ARG 88 -2.482 4.121 3.742 664 1HG ARG 88 1HG ARG 88 -4.409 5.111 2.428 665 2HG ARG 88 2HG ARG 88 -3.859 6.006 3.827 666 1HD ARG 88 1HD ARG 88 -2.675 6.675 1.127 667 2HD ARG 88 2HD ARG 88 -4.308 7.123 1.380 668 HE ARG 88 HE ARG 88 -2.230 8.646 2.034 669 1HH1 ARG 88 2HH2 ARG 88 -5.136 7.570 3.798 670 2HH1 ARG 88 1HH2 ARG 88 -5.253 9.024 4.653 671 1HH2 ARG 88 2HH1 ARG 88 -2.887 10.644 2.860 672 2HH2 ARG 88 1HH1 ARG 88 -4.026 10.722 4.124 673 H GLY 89 H GLY 89 0.463 7.506 3.128 674 1HA GLY 89 1HA GLY 89 1.370 8.491 5.192 675 2HA GLY 89 2HA GLY 89 0.248 9.534 4.335 676 H LYS 90 H LYS 90 -1.883 9.901 5.236 677 HA LYS 90 HA LYS 90 -1.730 10.236 8.023 678 1HB LYS 90 1HB LYS 90 -3.208 11.380 6.040 679 2HB LYS 90 2HB LYS 90 -4.451 10.386 6.784 680 1HG LYS 90 1HG LYS 90 -2.744 12.541 8.106 681 2HG LYS 90 2HG LYS 90 -4.417 12.689 7.594 682 1HD LYS 90 1HD LYS 90 -4.765 12.403 9.814 683 2HD LYS 90 2HD LYS 90 -4.818 10.716 9.317 684 1HE LYS 90 1HE LYS 90 -2.109 11.060 9.790 685 2HE LYS 90 2HE LYS 90 -2.758 12.267 10.891 686 1HZ LYS 90 1HZ LYS 90 -2.530 10.180 12.031 687 2HZ LYS 90 2HZ LYS 90 -4.145 10.388 11.808 688 3HZ LYS 90 3HZ LYS 90 -3.277 9.363 10.839 689 H LYS 91 H LYS 91 -2.791 7.430 6.283 690 HA LYS 91 HA LYS 91 -4.083 6.369 8.725 691 1HB LYS 91 1HB LYS 91 -4.968 6.020 6.223 692 2HB LYS 91 2HB LYS 91 -3.754 4.759 6.183 693 1HG LYS 91 1HG LYS 91 -5.756 3.735 6.912 694 2HG LYS 91 2HG LYS 91 -4.777 3.899 8.378 695 1HD LYS 91 1HD LYS 91 -6.137 5.507 9.328 696 2HD LYS 91 2HD LYS 91 -6.678 6.146 7.776 697 1HE LYS 91 1HE LYS 91 -8.484 5.016 9.050 698 2HE LYS 91 2HE LYS 91 -8.221 4.390 7.430 699 1HZ LYS 91 1HZ LYS 91 -8.511 2.588 8.952 700 2HZ LYS 91 2HZ LYS 91 -6.985 2.555 8.397 701 3HZ LYS 91 3HZ LYS 91 -7.256 3.093 9.919 702 H LYS 92 H LYS 92 -2.149 4.057 6.904 703 HA LYS 92 HA LYS 92 0.256 4.548 8.364 704 1HB LYS 92 1HB LYS 92 -1.709 3.443 9.871 705 2HB LYS 92 2HB LYS 92 -1.190 1.988 9.057 706 1HG LYS 92 1HG LYS 92 0.082 2.088 11.094 707 2HG LYS 92 2HG LYS 92 1.196 2.586 9.849 708 1HD LYS 92 1HD LYS 92 1.628 4.170 11.493 709 2HD LYS 92 2HD LYS 92 0.516 5.040 10.459 710 1HE LYS 92 1HE LYS 92 -0.242 5.435 12.671 711 2HE LYS 92 2HE LYS 92 -1.371 4.253 11.990 712 1HZ LYS 92 1HZ LYS 92 0.831 3.747 13.907 713 2HZ LYS 92 2HZ LYS 92 -0.783 3.517 14.141 714 3HZ LYS 92 3HZ LYS 92 0.038 2.530 13.140 715 H TYR 93 H TYR 93 0.804 1.730 8.347 716 HA TYR 93 HA TYR 93 1.976 1.543 5.641 717 1HB TYR 93 1HB TYR 93 2.949 0.284 8.143 718 2HB TYR 93 2HB TYR 93 3.716 0.385 6.546 719 HD1 TYR 93 1HD TYR 93 3.263 1.973 9.819 720 HD2 TYR 93 2HD TYR 93 4.822 2.477 5.850 721 HE1 TYR 93 1HE TYR 93 4.473 3.983 10.573 722 HE2 TYR 93 2HE TYR 93 6.079 4.486 6.613 723 HH TYR 93 HH TYR 93 6.625 5.284 9.745 724 H TYR 94 H TYR 94 -0.204 0.338 5.086 725 HA TYR 94 HA TYR 94 -0.762 -2.201 6.553 726 1HB TYR 94 1HB TYR 94 -2.017 -0.690 4.245 727 2HB TYR 94 2HB TYR 94 -2.582 -2.195 4.846 728 HD1 TYR 94 1HD TYR 94 -2.093 1.358 5.726 729 HD2 TYR 94 2HD TYR 94 -3.854 -2.395 6.897 730 HE1 TYR 94 1HE TYR 94 -3.437 2.519 7.436 731 HE2 TYR 94 2HE TYR 94 -5.274 -1.223 8.568 732 HH TYR 94 HH TYR 94 -5.851 0.850 9.497 733 H LEU 95 H LEU 95 -1.284 -4.059 5.264 734 HA LEU 95 HA LEU 95 0.960 -4.651 3.388 735 1HB LEU 95 1HB LEU 95 1.651 -5.219 5.613 736 2HB LEU 95 2HB LEU 95 0.160 -6.079 5.933 737 HG LEU 95 HG LEU 95 0.773 -7.850 4.340 738 1HD1 LEU 95 1HD1 LEU 95 3.182 -7.755 3.428 739 2HD1 LEU 95 2HD1 LEU 95 1.976 -6.812 2.573 740 3HD1 LEU 95 3HD1 LEU 95 3.089 -6.005 3.695 741 1HD2 LEU 95 1HD2 LEU 95 3.134 -7.155 6.146 742 2HD2 LEU 95 2HD2 LEU 95 1.669 -7.987 6.668 743 3HD2 LEU 95 3HD2 LEU 95 2.741 -8.761 5.502 744 H ILE 96 H ILE 96 0.470 -5.908 1.756 745 HA ILE 96 HA ILE 96 -2.287 -7.007 1.495 746 HB ILE 96 HB ILE 96 -0.569 -5.409 -0.421 747 1HG1 ILE 96 1HG1 ILE 96 -1.293 -3.839 1.308 748 2HG1 ILE 96 2HG1 ILE 96 -2.044 -3.477 -0.223 749 1HG2 ILE 96 1HG2 ILE 96 -2.389 -5.192 -1.927 750 2HG2 ILE 96 2HG2 ILE 96 -2.097 -6.902 -1.616 751 3HG2 ILE 96 3HG2 ILE 96 -3.473 -6.092 -0.845 752 1HD1 ILE 96 1HD1 ILE 96 -3.433 -4.943 2.058 753 2HD1 ILE 96 2HD1 ILE 96 -3.597 -3.223 1.673 754 3HD1 ILE 96 3HD1 ILE 96 -4.180 -4.443 0.533 755 H ARG 97 H ARG 97 -2.057 -9.217 0.936 756 HA ARG 97 HA ARG 97 0.024 -9.927 -1.026 757 1HB ARG 97 1HB ARG 97 0.123 -12.103 0.326 758 2HB ARG 97 2HB ARG 97 1.062 -10.725 0.862 759 1HG ARG 97 1HG ARG 97 -0.395 -10.352 2.726 760 2HG ARG 97 2HG ARG 97 -1.612 -11.492 2.093 761 1HD ARG 97 1HD ARG 97 -0.417 -13.367 2.647 762 2HD ARG 97 2HD ARG 97 1.145 -12.553 2.534 763 HE ARG 97 HE ARG 97 -0.275 -11.491 4.761 764 1HH1 ARG 97 2HH2 ARG 97 1.189 -14.620 3.735 765 2HH1 ARG 97 1HH2 ARG 97 1.592 -15.030 5.368 766 1HH2 ARG 97 2HH1 ARG 97 0.621 -12.059 6.916 767 2HH2 ARG 97 1HH1 ARG 97 1.238 -13.649 7.112 768 H TYR 98 H TYR 98 -0.425 -12.260 -1.857 769 HA TYR 98 HA TYR 98 -3.272 -12.830 -1.925 770 1HB TYR 98 1HB TYR 98 -2.425 -14.116 -4.087 771 2HB TYR 98 2HB TYR 98 -3.083 -12.500 -4.134 772 HD1 TYR 98 1HD TYR 98 -2.169 -11.500 -5.988 773 HD2 TYR 98 2HD TYR 98 0.425 -13.707 -3.296 774 HE1 TYR 98 1HE TYR 98 -0.246 -11.006 -7.432 775 HE2 TYR 98 2HE TYR 98 2.367 -13.127 -4.715 776 HH TYR 98 HH TYR 98 2.069 -12.165 -7.880 777 H ALA 99 H ALA 99 -3.642 -15.143 -2.258 778 HA ALA 99 HA ALA 99 -2.382 -16.733 -0.294 779 1HB ALA 99 1HB ALA 99 -4.295 -17.489 -2.560 780 2HB ALA 99 2HB ALA 99 -3.950 -18.461 -1.111 781 3HB ALA 99 3HB ALA 99 -4.763 -16.902 -0.946 Start of MODEL 15 1 1H ALA 1 1H ALA 1 15.161 -15.840 4.681 2 2H ALA 1 2H ALA 1 16.463 -15.063 4.077 3 3H ALA 1 3H ALA 1 16.158 -15.025 5.705 4 HA ALA 1 HA ALA 1 14.155 -13.816 5.356 5 1HB ALA 1 1HB ALA 1 15.175 -11.652 4.615 6 2HB ALA 1 2HB ALA 1 16.115 -12.509 5.843 7 3HB ALA 1 3HB ALA 1 16.644 -12.539 4.148 8 H LEU 2 H LEU 2 15.389 -12.376 2.419 9 HA LEU 2 HA LEU 2 14.200 -14.224 0.614 10 1HB LEU 2 1HB LEU 2 12.309 -12.463 1.340 11 2HB LEU 2 2HB LEU 2 13.238 -11.381 0.295 12 HG LEU 2 HG LEU 2 13.044 -13.270 -1.501 13 1HD1 LEU 2 1HD1 LEU 2 10.758 -14.106 0.361 14 2HD1 LEU 2 2HD1 LEU 2 11.096 -14.758 -1.257 15 3HD1 LEU 2 3HD1 LEU 2 12.225 -15.053 0.067 16 1HD2 LEU 2 1HD2 LEU 2 10.876 -12.490 -2.249 17 2HD2 LEU 2 2HD2 LEU 2 10.533 -11.804 -0.650 18 3HD2 LEU 2 3HD2 LEU 2 11.835 -11.142 -1.656 19 H PHE 3 H PHE 3 15.100 -13.683 -1.579 20 HA PHE 3 HA PHE 3 17.493 -11.953 -1.574 21 1HB PHE 3 1HB PHE 3 16.110 -13.702 -3.626 22 2HB PHE 3 2HB PHE 3 17.179 -12.417 -4.152 23 HD1 PHE 3 1HD PHE 3 19.083 -13.408 -5.025 24 HD2 PHE 3 2HD PHE 3 17.547 -14.835 -1.250 25 HE1 PHE 3 1HE PHE 3 21.102 -14.810 -4.721 26 HE2 PHE 3 2HE PHE 3 19.538 -16.251 -0.978 27 HZ PHE 3 HZ PHE 3 21.334 -16.237 -2.699 28 H SER 4 H SER 4 14.656 -11.985 -3.746 29 HA SER 4 HA SER 4 13.634 -10.450 -4.898 30 1HB SER 4 1HB SER 4 13.066 -9.588 -2.482 31 2HB SER 4 2HB SER 4 14.150 -8.249 -2.902 32 HG SER 4 HG SER 4 11.881 -9.222 -4.322 33 H GLY 5 H GLY 5 13.887 -8.089 -5.789 34 1HA GLY 5 1HA GLY 5 16.719 -7.260 -6.176 35 2HA GLY 5 2HA GLY 5 15.680 -7.548 -7.581 36 H ASP 6 H ASP 6 13.249 -6.523 -6.899 37 HA ASP 6 HA ASP 6 13.752 -3.675 -7.012 38 1HB ASP 6 1HB ASP 6 11.252 -5.414 -7.050 39 2HB ASP 6 2HB ASP 6 11.159 -3.656 -6.964 40 H ILE 7 H ILE 7 11.997 -5.779 -4.607 41 HA ILE 7 HA ILE 7 12.178 -3.529 -2.758 42 HB ILE 7 HB ILE 7 10.717 -4.741 -1.351 43 1HG1 ILE 7 1HG1 ILE 7 10.192 -6.926 -3.337 44 2HG1 ILE 7 2HG1 ILE 7 11.572 -7.094 -2.242 45 1HG2 ILE 7 1HG2 ILE 7 9.874 -3.293 -3.115 46 2HG2 ILE 7 2HG2 ILE 7 9.711 -4.684 -4.202 47 3HG2 ILE 7 3HG2 ILE 7 8.737 -4.594 -2.715 48 1HD1 ILE 7 1HD1 ILE 7 9.305 -8.099 -1.506 49 2HD1 ILE 7 2HD1 ILE 7 10.314 -7.268 -0.345 50 3HD1 ILE 7 3HD1 ILE 7 8.943 -6.412 -1.018 51 H ALA 8 H ALA 8 14.497 -4.747 -3.577 52 HA ALA 8 HA ALA 8 15.616 -6.480 -1.485 53 1HB ALA 8 1HB ALA 8 17.047 -4.780 -3.569 54 2HB ALA 8 2HB ALA 8 17.782 -6.020 -2.532 55 3HB ALA 8 3HB ALA 8 16.588 -6.493 -3.746 56 H ASN 9 H ASN 9 14.509 -3.342 -1.266 57 HA ASN 9 HA ASN 9 16.571 -2.315 0.546 58 1HB ASN 9 1HB ASN 9 14.099 -1.052 -0.755 59 2HB ASN 9 2HB ASN 9 15.325 -0.255 0.187 60 1HD2 ASN 9 1HD2 ASN 9 14.365 -1.067 -3.024 61 2HD2 ASN 9 2HD2 ASN 9 15.882 -0.885 -3.825 62 H LEU 10 H LEU 10 13.524 -3.912 0.219 63 HA LEU 10 HA LEU 10 12.757 -3.764 3.035 64 1HB LEU 10 1HB LEU 10 10.734 -2.900 2.838 65 2HB LEU 10 2HB LEU 10 11.912 -1.703 2.306 66 HG LEU 10 HG LEU 10 9.879 -3.139 0.538 67 1HD1 LEU 10 1HD1 LEU 10 9.099 -1.453 2.289 68 2HD1 LEU 10 2HD1 LEU 10 9.995 -0.234 1.369 69 3HD1 LEU 10 3HD1 LEU 10 8.674 -1.150 0.604 70 1HD2 LEU 10 1HD2 LEU 10 10.513 -1.502 -1.181 71 2HD2 LEU 10 2HD2 LEU 10 11.809 -0.884 -0.140 72 3HD2 LEU 10 3HD2 LEU 10 11.882 -2.547 -0.777 73 H THR 11 H THR 11 13.422 -6.113 2.687 74 HA THR 11 HA THR 11 12.186 -7.449 0.500 75 HB THR 11 HB THR 11 13.279 -9.459 1.483 76 HG1 THR 11 1HG THR 11 14.829 -8.735 3.267 77 1HG2 THR 11 1HG2 THR 11 15.131 -7.035 1.338 78 2HG2 THR 11 2HG2 THR 11 15.567 -8.740 1.072 79 3HG2 THR 11 3HG2 THR 11 14.491 -7.924 -0.062 80 H ALA 12 H ALA 12 11.348 -9.780 1.337 81 HA ALA 12 HA ALA 12 8.582 -9.187 2.283 82 1HB ALA 12 1HB ALA 12 8.913 -10.784 0.469 83 2HB ALA 12 2HB ALA 12 9.833 -11.861 1.570 84 3HB ALA 12 3HB ALA 12 8.116 -11.524 1.850 85 H ALA 13 H ALA 13 11.415 -10.835 3.621 86 HA ALA 13 HA ALA 13 10.099 -11.489 6.138 87 1HB ALA 13 1HB ALA 13 12.195 -12.601 5.450 88 2HB ALA 13 2HB ALA 13 13.049 -11.029 5.503 89 3HB ALA 13 3HB ALA 13 12.402 -11.745 6.991 90 H GLU 14 H GLU 14 11.637 -8.587 4.725 91 HA GLU 14 HA GLU 14 11.962 -7.192 7.217 92 1HB GLU 14 1HB GLU 14 13.177 -6.812 4.926 93 2HB GLU 14 2HB GLU 14 11.673 -6.060 4.421 94 1HG GLU 14 1HG GLU 14 12.938 -4.237 5.062 95 2HG GLU 14 2HG GLU 14 11.866 -4.478 6.425 96 H ILE 15 H ILE 15 9.536 -7.436 4.634 97 HA ILE 15 HA ILE 15 7.896 -5.327 5.585 98 HB ILE 15 HB ILE 15 7.659 -7.505 3.439 99 1HG1 ILE 15 1HG1 ILE 15 7.595 -4.489 3.313 100 2HG1 ILE 15 2HG1 ILE 15 9.076 -5.381 3.279 101 1HG2 ILE 15 1HG2 ILE 15 5.341 -7.264 4.320 102 2HG2 ILE 15 2HG2 ILE 15 5.427 -5.513 4.029 103 3HG2 ILE 15 3HG2 ILE 15 5.509 -6.658 2.687 104 1HD1 ILE 15 1HD1 ILE 15 6.858 -5.768 1.207 105 2HD1 ILE 15 2HD1 ILE 15 8.374 -4.897 0.978 106 3HD1 ILE 15 3HD1 ILE 15 8.394 -6.647 1.280 107 H GLU 16 H GLU 16 7.524 -8.914 5.841 108 HA GLU 16 HA GLU 16 5.200 -8.684 7.510 109 1HB GLU 16 1HB GLU 16 7.377 -10.760 7.368 110 2HB GLU 16 2HB GLU 16 5.951 -10.915 8.414 111 1HG GLU 16 1HG GLU 16 5.498 -10.313 5.494 112 2HG GLU 16 2HG GLU 16 5.997 -11.947 5.932 113 H GLN 17 H GLN 17 8.745 -8.668 8.476 114 HA GLN 17 HA GLN 17 8.019 -8.653 11.300 115 1HB GLN 17 1HB GLN 17 10.599 -7.911 9.892 116 2HB GLN 17 2HB GLN 17 10.409 -8.139 11.629 117 1HG GLN 17 1HG GLN 17 9.811 -10.436 9.720 118 2HG GLN 17 2HG GLN 17 11.467 -10.030 10.152 119 1HE2 GLN 17 1HE2 GLN 17 8.842 -11.998 11.063 120 2HE2 GLN 17 2HE2 GLN 17 9.488 -12.386 12.639 121 H GLY 18 H GLY 18 8.484 -6.344 8.713 122 1HA GLY 18 1HA GLY 18 9.108 -4.064 10.211 123 2HA GLY 18 2HA GLY 18 8.563 -4.118 8.530 124 H PHE 19 H PHE 19 6.142 -5.476 8.829 125 HA PHE 19 HA PHE 19 4.549 -3.192 9.873 126 1HB PHE 19 1HB PHE 19 4.230 -4.869 7.383 127 2HB PHE 19 2HB PHE 19 3.180 -3.547 7.845 128 HD1 PHE 19 1HD PHE 19 4.834 -1.372 8.734 129 HD2 PHE 19 2HD PHE 19 5.835 -4.304 5.760 130 HE1 PHE 19 1HE PHE 19 6.605 0.105 7.887 131 HE2 PHE 19 2HE PHE 19 7.670 -2.827 4.938 132 HZ PHE 19 HZ PHE 19 8.029 -0.612 5.985 133 H LYS 20 H LYS 20 5.270 -6.000 10.926 134 HA LYS 20 HA LYS 20 3.005 -7.303 11.827 135 1HB LYS 20 1HB LYS 20 4.997 -8.299 12.555 136 2HB LYS 20 2HB LYS 20 5.798 -6.755 12.759 137 1HG LYS 20 1HG LYS 20 4.608 -6.332 14.860 138 2HG LYS 20 2HG LYS 20 3.727 -7.863 14.663 139 1HD LYS 20 1HD LYS 20 5.377 -8.153 16.312 140 2HD LYS 20 2HD LYS 20 5.891 -9.081 14.918 141 1HE LYS 20 1HE LYS 20 6.920 -6.255 15.497 142 2HE LYS 20 2HE LYS 20 7.632 -7.691 16.239 143 1HZ LYS 20 1HZ LYS 20 8.905 -7.278 14.358 144 2HZ LYS 20 2HZ LYS 20 7.928 -8.538 13.911 145 3HZ LYS 20 3HZ LYS 20 7.641 -6.993 13.393 146 H ASP 21 H ASP 21 3.972 -4.255 12.488 147 HA ASP 21 HA ASP 21 2.542 -3.661 14.936 148 1HB ASP 21 1HB ASP 21 4.146 -2.119 12.905 149 2HB ASP 21 2HB ASP 21 2.999 -1.182 13.828 150 H VAL 22 H VAL 22 1.421 -3.944 11.690 151 HA VAL 22 HA VAL 22 -1.074 -2.482 12.228 152 HB VAL 22 HB VAL 22 -0.193 -2.385 9.451 153 1HG1 VAL 22 1HG1 VAL 22 -0.552 0.062 11.168 154 2HG1 VAL 22 2HG1 VAL 22 -1.002 -0.234 9.464 155 3HG1 VAL 22 3HG1 VAL 22 -1.948 -0.915 10.786 156 1HG2 VAL 22 1HG2 VAL 22 1.685 -0.980 11.419 157 2HG2 VAL 22 2HG2 VAL 22 2.118 -2.144 10.136 158 3HG2 VAL 22 3HG2 VAL 22 1.534 -0.526 9.740 159 HA PRO 23 HA PRO 23 -2.679 -6.330 10.737 160 1HB PRO 23 1HB PRO 23 -4.845 -5.866 9.199 161 2HB PRO 23 2HB PRO 23 -4.795 -5.284 10.892 162 1HG PRO 23 1HG PRO 23 -4.161 -3.746 8.375 163 2HG PRO 23 2HG PRO 23 -5.269 -3.298 9.707 164 1HD PRO 23 1HD PRO 23 -2.654 -2.466 9.515 165 2HD PRO 23 2HD PRO 23 -3.468 -2.692 11.105 166 H SER 24 H SER 24 -3.308 -7.571 8.696 167 HA SER 24 HA SER 24 -2.149 -6.490 6.237 168 1HB SER 24 1HB SER 24 -1.114 -8.569 5.557 169 2HB SER 24 2HB SER 24 -0.422 -8.039 7.097 170 HG SER 24 HG SER 24 -0.891 -10.254 6.974 171 H PHE 25 H PHE 25 -3.098 -7.683 4.238 172 HA PHE 25 HA PHE 25 -5.647 -9.069 4.802 173 1HB PHE 25 1HB PHE 25 -6.208 -6.783 4.298 174 2HB PHE 25 2HB PHE 25 -5.010 -6.718 3.005 175 HD1 PHE 25 1HD PHE 25 -8.340 -8.188 3.923 176 HD2 PHE 25 2HD PHE 25 -5.466 -7.409 0.786 177 HE1 PHE 25 1HE PHE 25 -9.996 -8.862 2.216 178 HE2 PHE 25 2HE PHE 25 -7.132 -8.065 -0.906 179 HZ PHE 25 HZ PHE 25 -9.392 -8.832 -0.198 180 H VAL 26 H VAL 26 -6.258 -10.366 2.847 181 HA VAL 26 HA VAL 26 -4.021 -11.126 1.169 182 HB VAL 26 HB VAL 26 -4.117 -12.524 3.254 183 1HG1 VAL 26 1HG1 VAL 26 -6.627 -12.636 3.441 184 2HG1 VAL 26 2HG1 VAL 26 -6.626 -13.769 2.081 185 3HG1 VAL 26 3HG1 VAL 26 -5.794 -14.197 3.588 186 1HG2 VAL 26 1HG2 VAL 26 -3.879 -14.686 2.082 187 2HG2 VAL 26 2HG2 VAL 26 -4.618 -13.975 0.635 188 3HG2 VAL 26 3HG2 VAL 26 -3.050 -13.375 1.239 189 H HIS 27 H HIS 27 -4.852 -11.265 -0.993 190 HA HIS 27 HA HIS 27 -7.663 -12.241 -1.119 191 1HB HIS 27 1HB HIS 27 -7.858 -11.098 -3.298 192 2HB HIS 27 2HB HIS 27 -7.759 -10.073 -1.880 193 HD1 HIS 27 1HD HIS 27 -7.211 -8.277 -3.930 194 HD2 HIS 27 2HD HIS 27 -4.266 -11.084 -2.874 195 HE1 HIS 27 1HE HIS 27 -5.013 -7.364 -4.768 196 H GLU 28 H GLU 28 -8.030 -13.118 -3.309 197 HA GLU 28 HA GLU 28 -6.869 -15.735 -3.094 198 1HB GLU 28 1HB GLU 28 -9.063 -14.560 -4.848 199 2HB GLU 28 2HB GLU 28 -8.730 -16.293 -4.681 200 1HG GLU 28 1HG GLU 28 -9.314 -16.327 -2.373 201 2HG GLU 28 2HG GLU 28 -9.387 -14.563 -2.281 202 H GLY 29 H GLY 29 -4.821 -14.020 -4.187 203 1HA GLY 29 1HA GLY 29 -3.383 -13.771 -6.002 204 2HA GLY 29 2HA GLY 29 -4.058 -15.271 -6.669 205 H GLY 30 H GLY 30 -3.713 -13.836 -8.761 206 1HA GLY 30 1HA GLY 30 -4.785 -12.984 -10.549 207 2HA GLY 30 2HA GLY 30 -6.271 -12.757 -9.594 208 H ASP 31 H ASP 31 -4.666 -10.934 -11.354 209 HA ASP 31 HA ASP 31 -3.609 -8.915 -9.575 210 1HB ASP 31 1HB ASP 31 -3.286 -7.457 -11.370 211 2HB ASP 31 2HB ASP 31 -2.824 -9.083 -11.899 212 H VAL 32 H VAL 32 -4.385 -6.577 -9.302 213 HA VAL 32 HA VAL 32 -7.272 -6.422 -9.270 214 HB VAL 32 HB VAL 32 -5.712 -7.069 -6.851 215 1HG1 VAL 32 1HG1 VAL 32 -7.747 -6.746 -5.429 216 2HG1 VAL 32 2HG1 VAL 32 -7.237 -5.244 -6.177 217 3HG1 VAL 32 3HG1 VAL 32 -8.615 -6.149 -6.852 218 1HG2 VAL 32 1HG2 VAL 32 -6.524 -9.135 -7.775 219 2HG2 VAL 32 2HG2 VAL 32 -7.511 -8.816 -6.378 220 3HG2 VAL 32 3HG2 VAL 32 -8.153 -8.465 -7.994 221 HA PRO 33 HA PRO 33 -5.950 -2.187 -9.253 222 1HB PRO 33 1HB PRO 33 -8.649 -1.626 -8.079 223 2HB PRO 33 2HB PRO 33 -7.876 -0.911 -9.526 224 1HG PRO 33 1HG PRO 33 -9.867 -2.753 -9.744 225 2HG PRO 33 2HG PRO 33 -8.465 -2.768 -10.859 226 1HD PRO 33 1HD PRO 33 -8.911 -4.495 -8.400 227 2HD PRO 33 2HD PRO 33 -8.325 -4.948 -10.025 228 H LEU 34 H LEU 34 -4.848 -0.953 -7.764 229 HA LEU 34 HA LEU 34 -4.813 -1.355 -5.041 230 1HB LEU 34 1HB LEU 34 -3.659 0.480 -4.707 231 2HB LEU 34 2HB LEU 34 -3.193 -0.176 -6.259 232 HG LEU 34 HG LEU 34 -4.659 2.333 -5.603 233 1HD1 LEU 34 1HD1 LEU 34 -2.190 1.744 -7.215 234 2HD1 LEU 34 2HD1 LEU 34 -2.842 3.360 -6.932 235 3HD1 LEU 34 3HD1 LEU 34 -2.257 2.413 -5.560 236 1HD2 LEU 34 1HD2 LEU 34 -4.828 2.778 -8.111 237 2HD2 LEU 34 2HD2 LEU 34 -4.468 1.059 -8.351 238 3HD2 LEU 34 3HD2 LEU 34 -5.960 1.566 -7.533 239 H VAL 35 H VAL 35 -7.310 0.414 -6.814 240 HA VAL 35 HA VAL 35 -8.667 1.377 -4.448 241 HB VAL 35 HB VAL 35 -8.668 2.602 -6.513 242 1HG1 VAL 35 1HG1 VAL 35 -10.377 0.378 -7.684 243 2HG1 VAL 35 2HG1 VAL 35 -10.091 1.970 -8.418 244 3HG1 VAL 35 3HG1 VAL 35 -8.742 0.866 -8.202 245 1HG2 VAL 35 1HG2 VAL 35 -10.495 2.894 -4.841 246 2HG2 VAL 35 2HG2 VAL 35 -10.908 3.367 -6.495 247 3HG2 VAL 35 3HG2 VAL 35 -11.514 1.833 -5.837 248 H GLU 36 H GLU 36 -8.646 -1.768 -5.738 249 HA GLU 36 HA GLU 36 -11.193 -2.290 -4.263 250 1HB GLU 36 1HB GLU 36 -9.553 -4.005 -6.181 251 2HB GLU 36 2HB GLU 36 -10.990 -4.555 -5.311 252 1HG GLU 36 1HG GLU 36 -10.862 -2.318 -7.386 253 2HG GLU 36 2HG GLU 36 -11.583 -3.911 -7.593 254 H LEU 37 H LEU 37 -7.624 -2.910 -4.231 255 HA LEU 37 HA LEU 37 -8.001 -5.044 -2.246 256 1HB LEU 37 1HB LEU 37 -5.595 -5.248 -2.228 257 2HB LEU 37 2HB LEU 37 -6.255 -5.346 -3.853 258 HG LEU 37 HG LEU 37 -5.688 -2.783 -3.939 259 1HD1 LEU 37 1HD1 LEU 37 -3.649 -2.120 -2.798 260 2HD1 LEU 37 2HD1 LEU 37 -4.835 -2.549 -1.568 261 3HD1 LEU 37 3HD1 LEU 37 -3.561 -3.690 -1.993 262 1HD2 LEU 37 1HD2 LEU 37 -3.468 -3.348 -4.872 263 2HD2 LEU 37 2HD2 LEU 37 -3.572 -4.965 -4.144 264 3HD2 LEU 37 3HD2 LEU 37 -4.716 -4.465 -5.412 265 H LEU 38 H LEU 38 -7.488 -1.456 -2.282 266 HA LEU 38 HA LEU 38 -6.549 -1.686 0.357 267 1HB LEU 38 1HB LEU 38 -5.761 0.348 0.172 268 2HB LEU 38 2HB LEU 38 -6.002 0.143 -1.528 269 HG LEU 38 HG LEU 38 -7.928 1.512 0.379 270 1HD1 LEU 38 1HD1 LEU 38 -7.071 3.630 -0.682 271 2HD1 LEU 38 2HD1 LEU 38 -5.863 2.758 0.258 272 3HD1 LEU 38 3HD1 LEU 38 -5.828 2.624 -1.488 273 1HD2 LEU 38 1HD2 LEU 38 -8.535 2.534 -2.094 274 2HD2 LEU 38 2HD2 LEU 38 -8.282 0.805 -2.414 275 3HD2 LEU 38 3HD2 LEU 38 -9.451 1.318 -1.207 276 H VAL 39 H VAL 39 -9.569 -1.325 -1.241 277 HA VAL 39 HA VAL 39 -11.094 -0.219 0.991 278 HB VAL 39 HB VAL 39 -11.317 -0.572 -1.741 279 1HG1 VAL 39 1HG1 VAL 39 -12.443 -2.742 -1.686 280 2HG1 VAL 39 2HG1 VAL 39 -13.640 -2.118 -0.524 281 3HG1 VAL 39 3HG1 VAL 39 -13.573 -1.499 -2.176 282 1HG2 VAL 39 1HG2 VAL 39 -13.320 0.777 -1.649 283 2HG2 VAL 39 2HG2 VAL 39 -13.539 0.382 0.069 284 3HG2 VAL 39 3HG2 VAL 39 -12.135 1.336 -0.472 285 H SER 40 H SER 40 -10.584 -3.291 -0.584 286 HA SER 40 HA SER 40 -12.035 -4.968 1.187 287 1HB SER 40 1HB SER 40 -10.878 -5.316 -1.215 288 2HB SER 40 2HB SER 40 -9.603 -6.036 -0.230 289 HG SER 40 HG SER 40 -11.557 -7.214 -1.166 290 H ALA 41 H ALA 41 -8.516 -3.970 1.067 291 HA ALA 41 HA ALA 41 -8.009 -5.455 3.490 292 1HB ALA 41 1HB ALA 41 -5.749 -4.448 3.367 293 2HB ALA 41 2HB ALA 41 -6.256 -5.157 1.821 294 3HB ALA 41 3HB ALA 41 -6.292 -3.426 2.024 295 H GLY 42 H GLY 42 -9.045 -2.099 2.943 296 1HA GLY 42 1HA GLY 42 -10.466 -1.221 4.641 297 2HA GLY 42 2HA GLY 42 -9.645 -2.215 5.851 298 H ILE 43 H ILE 43 -8.023 -0.359 3.399 299 HA ILE 43 HA ILE 43 -6.492 1.287 5.261 300 HB ILE 43 HB ILE 43 -6.794 1.039 2.251 301 1HG1 ILE 43 1HG1 ILE 43 -4.569 0.233 2.029 302 2HG1 ILE 43 2HG1 ILE 43 -4.186 0.520 3.695 303 1HG2 ILE 43 1HG2 ILE 43 -4.710 2.629 2.153 304 2HG2 ILE 43 2HG2 ILE 43 -6.202 3.418 2.674 305 3HG2 ILE 43 3HG2 ILE 43 -4.982 2.943 3.867 306 1HD1 ILE 43 1HD1 ILE 43 -4.575 -1.874 3.111 307 2HD1 ILE 43 2HD1 ILE 43 -5.662 -1.313 4.390 308 3HD1 ILE 43 3HD1 ILE 43 -6.259 -1.449 2.726 309 H SER 44 H SER 44 -9.130 1.662 2.667 310 HA SER 44 HA SER 44 -10.413 3.643 4.383 311 1HB SER 44 1HB SER 44 -8.874 4.462 1.956 312 2HB SER 44 2HB SER 44 -10.525 5.091 2.124 313 HG SER 44 HG SER 44 -8.338 5.894 3.457 314 HA PRO 45 HA PRO 45 -13.098 0.795 2.188 315 1HB PRO 45 1HB PRO 45 -15.146 0.615 3.948 316 2HB PRO 45 2HB PRO 45 -13.526 -0.076 4.293 317 1HG PRO 45 1HG PRO 45 -14.647 2.585 5.225 318 2HG PRO 45 2HG PRO 45 -13.830 1.321 6.203 319 1HD PRO 45 1HD PRO 45 -12.517 3.511 5.169 320 2HD PRO 45 2HD PRO 45 -11.715 1.925 5.387 321 H SER 46 H SER 46 -13.687 4.098 2.877 322 HA SER 46 HA SER 46 -16.438 4.158 1.778 323 1HB SER 46 1HB SER 46 -15.942 5.593 3.663 324 2HB SER 46 2HB SER 46 -14.621 6.324 2.743 325 HG SER 46 HG SER 46 -16.725 7.462 2.787 326 H LYS 47 H LYS 47 -16.610 4.139 -0.499 327 HA LYS 47 HA LYS 47 -14.389 3.907 -2.032 328 1HB LYS 47 1HB LYS 47 -16.872 3.376 -2.583 329 2HB LYS 47 2HB LYS 47 -16.895 4.982 -3.334 330 1HG LYS 47 1HG LYS 47 -14.849 4.219 -4.696 331 2HG LYS 47 2HG LYS 47 -15.093 2.606 -4.009 332 1HD LYS 47 1HD LYS 47 -17.433 2.623 -5.002 333 2HD LYS 47 2HD LYS 47 -17.051 4.191 -5.726 334 1HE LYS 47 1HE LYS 47 -16.611 2.716 -7.476 335 2HE LYS 47 2HE LYS 47 -15.003 3.004 -6.805 336 1HZ LYS 47 1HZ LYS 47 -16.713 0.628 -6.395 337 2HZ LYS 47 2HZ LYS 47 -15.285 0.696 -7.184 338 3HZ LYS 47 3HZ LYS 47 -15.305 0.858 -5.574 339 H ARG 48 H ARG 48 -15.926 7.103 -1.461 340 HA ARG 48 HA ARG 48 -14.186 8.543 -3.329 341 1HB ARG 48 1HB ARG 48 -16.020 9.817 -2.653 342 2HB ARG 48 2HB ARG 48 -15.776 9.440 -0.944 343 1HG ARG 48 1HG ARG 48 -15.145 11.757 -1.489 344 2HG ARG 48 2HG ARG 48 -13.857 10.810 -0.775 345 1HD ARG 48 1HD ARG 48 -12.608 11.894 -2.264 346 2HD ARG 48 2HD ARG 48 -13.045 10.564 -3.320 347 HE ARG 48 HE ARG 48 -14.942 12.103 -4.085 348 1HH1 ARG 48 2HH2 ARG 48 -11.682 13.428 -3.072 349 2HH1 ARG 48 1HH2 ARG 48 -11.736 14.672 -4.187 350 1HH2 ARG 48 2HH1 ARG 48 -14.935 13.878 -5.570 351 2HH2 ARG 48 1HH1 ARG 48 -13.592 14.960 -5.604 352 H GLN 49 H GLN 49 -13.945 7.795 0.203 353 HA GLN 49 HA GLN 49 -11.500 9.199 0.485 354 1HB GLN 49 1HB GLN 49 -13.144 8.094 2.297 355 2HB GLN 49 2HB GLN 49 -12.157 6.664 2.067 356 1HG GLN 49 1HG GLN 49 -11.376 8.022 3.998 357 2HG GLN 49 2HG GLN 49 -10.147 7.831 2.749 358 1HE2 GLN 49 1HE2 GLN 49 -9.055 9.636 2.193 359 2HE2 GLN 49 2HE2 GLN 49 -9.717 11.279 2.251 360 H ALA 50 H ALA 50 -12.227 5.797 -0.047 361 HA ALA 50 HA ALA 50 -9.768 4.730 -0.247 362 1HB ALA 50 1HB ALA 50 -12.032 3.578 -0.558 363 2HB ALA 50 2HB ALA 50 -12.039 4.128 -2.233 364 3HB ALA 50 3HB ALA 50 -10.798 3.010 -1.703 365 H ARG 51 H ARG 51 -11.540 6.145 -3.050 366 HA ARG 51 HA ARG 51 -9.336 5.757 -4.805 367 1HB ARG 51 1HB ARG 51 -11.910 6.093 -5.273 368 2HB ARG 51 2HB ARG 51 -11.488 7.809 -5.373 369 1HG ARG 51 1HG ARG 51 -9.882 7.295 -7.192 370 2HG ARG 51 2HG ARG 51 -10.167 5.561 -6.976 371 1HD ARG 51 1HD ARG 51 -12.680 6.128 -7.454 372 2HD ARG 51 2HD ARG 51 -12.063 7.662 -8.068 373 HE ARG 51 HE ARG 51 -11.038 6.568 -9.880 374 1HH1 ARG 51 2HH2 ARG 51 -12.573 4.080 -7.789 375 2HH1 ARG 51 1HH2 ARG 51 -12.454 2.870 -9.025 376 1HH2 ARG 51 2HH1 ARG 51 -10.903 4.898 -11.422 377 2HH2 ARG 51 1HH1 ARG 51 -11.438 3.302 -10.991 378 H GLU 52 H GLU 52 -10.038 8.444 -2.589 379 HA GLU 52 HA GLU 52 -7.887 9.996 -3.912 380 1HB GLU 52 1HB GLU 52 -9.952 11.069 -3.065 381 2HB GLU 52 2HB GLU 52 -9.480 10.636 -1.410 382 1HG GLU 52 1HG GLU 52 -7.391 11.976 -1.654 383 2HG GLU 52 2HG GLU 52 -7.784 12.354 -3.315 384 H ASP 53 H ASP 53 -8.264 7.861 -1.061 385 HA ASP 53 HA ASP 53 -5.753 8.414 0.105 386 1HB ASP 53 1HB ASP 53 -7.911 6.266 0.209 387 2HB ASP 53 2HB ASP 53 -6.327 5.866 0.730 388 H ILE 54 H ILE 54 -6.858 6.739 -2.692 389 HA ILE 54 HA ILE 54 -4.215 5.702 -3.215 390 HB ILE 54 HB ILE 54 -6.809 5.787 -4.792 391 1HG1 ILE 54 1HG1 ILE 54 -5.005 3.533 -3.809 392 2HG1 ILE 54 2HG1 ILE 54 -6.308 4.238 -2.845 393 1HG2 ILE 54 1HG2 ILE 54 -5.084 6.120 -6.515 394 2HG2 ILE 54 2HG2 ILE 54 -4.085 4.851 -5.796 395 3HG2 ILE 54 3HG2 ILE 54 -5.636 4.463 -6.590 396 1HD1 ILE 54 1HD1 ILE 54 -6.770 2.950 -5.490 397 2HD1 ILE 54 2HD1 ILE 54 -6.948 2.250 -3.866 398 3HD1 ILE 54 3HD1 ILE 54 -7.981 3.621 -4.361 399 H GLN 55 H GLN 55 -6.284 8.221 -4.830 400 HA GLN 55 HA GLN 55 -4.197 8.880 -6.588 401 1HB GLN 55 1HB GLN 55 -6.803 10.216 -5.833 402 2HB GLN 55 2HB GLN 55 -5.718 10.892 -7.050 403 1HG GLN 55 1HG GLN 55 -5.792 8.918 -8.402 404 2HG GLN 55 2HG GLN 55 -6.671 8.008 -7.179 405 1HE2 GLN 55 1HE2 GLN 55 -8.024 7.678 -9.264 406 2HE2 GLN 55 2HE2 GLN 55 -9.244 8.899 -9.615 407 H ASN 56 H ASN 56 -4.346 9.645 -3.323 408 HA ASN 56 HA ASN 56 -2.693 11.998 -3.692 409 1HB ASN 56 1HB ASN 56 -3.380 10.111 -1.339 410 2HB ASN 56 2HB ASN 56 -2.199 11.398 -1.128 411 1HD2 ASN 56 1HD2 ASN 56 -4.823 12.631 -2.975 412 2HD2 ASN 56 2HD2 ASN 56 -5.669 13.349 -1.626 413 H GLY 57 H GLY 57 -0.713 12.227 -3.747 414 1HA GLY 57 1HA GLY 57 1.188 10.057 -3.884 415 2HA GLY 57 2HA GLY 57 1.537 11.798 -3.955 416 H ALA 58 H ALA 58 -0.317 10.162 -1.547 417 HA ALA 58 HA ALA 58 1.816 10.218 0.517 418 1HB ALA 58 1HB ALA 58 0.109 10.691 2.248 419 2HB ALA 58 2HB ALA 58 0.372 12.035 1.125 420 3HB ALA 58 3HB ALA 58 -1.068 11.021 0.955 421 H ILE 59 H ILE 59 -0.118 8.159 -1.463 422 HA ILE 59 HA ILE 59 0.352 5.968 0.535 423 HB ILE 59 HB ILE 59 -1.787 6.108 -0.014 424 1HG1 ILE 59 1HG1 ILE 59 -0.934 3.951 0.278 425 2HG1 ILE 59 2HG1 ILE 59 -2.302 3.979 -0.839 426 1HG2 ILE 59 1HG2 ILE 59 -2.334 5.578 -2.592 427 2HG2 ILE 59 2HG2 ILE 59 -2.148 7.234 -2.012 428 3HG2 ILE 59 3HG2 ILE 59 -0.831 6.425 -2.886 429 1HD1 ILE 59 1HD1 ILE 59 -0.879 2.568 -1.950 430 2HD1 ILE 59 2HD1 ILE 59 -0.418 4.074 -2.712 431 3HD1 ILE 59 3HD1 ILE 59 0.591 3.422 -1.400 432 H TYR 60 H TYR 60 2.403 5.787 0.619 433 HA TYR 60 HA TYR 60 3.964 5.537 -1.780 434 1HB TYR 60 1HB TYR 60 5.061 5.227 1.003 435 2HB TYR 60 2HB TYR 60 5.800 5.779 -0.450 436 HD1 TYR 60 1HD TYR 60 3.531 6.872 2.262 437 HD2 TYR 60 2HD TYR 60 5.973 8.043 -1.073 438 HE1 TYR 60 1HE TYR 60 3.172 9.222 2.850 439 HE2 TYR 60 2HE TYR 60 5.669 10.404 -0.482 440 HH TYR 60 HH TYR 60 4.417 11.903 0.839 441 H VAL 61 H VAL 61 3.814 3.693 -2.827 442 HA VAL 61 HA VAL 61 3.019 1.210 -1.410 443 HB VAL 61 HB VAL 61 3.432 1.618 -4.418 444 1HG1 VAL 61 1HG1 VAL 61 3.794 -0.708 -3.700 445 2HG1 VAL 61 2HG1 VAL 61 2.293 -0.682 -2.750 446 3HG1 VAL 61 3HG1 VAL 61 2.243 -0.601 -4.513 447 1HG2 VAL 61 1HG2 VAL 61 0.867 1.236 -4.342 448 2HG2 VAL 61 2HG2 VAL 61 0.991 1.596 -2.653 449 3HG2 VAL 61 3HG2 VAL 61 1.455 2.840 -3.828 450 H ASN 62 H ASN 62 4.556 -0.296 -0.994 451 HA ASN 62 HA ASN 62 6.709 -1.197 -0.714 452 1HB ASN 62 1HB ASN 62 7.050 -0.208 -3.526 453 2HB ASN 62 2HB ASN 62 8.319 -0.991 -2.645 454 1HD2 ASN 62 1HD2 ASN 62 4.946 -2.011 -2.198 455 2HD2 ASN 62 2HD2 ASN 62 5.124 -3.464 -3.172 456 H GLY 63 H GLY 63 5.908 1.541 -0.005 457 1HA GLY 63 1HA GLY 63 6.870 3.111 1.423 458 2HA GLY 63 2HA GLY 63 8.479 2.499 1.012 459 H GLU 64 H GLU 64 6.613 3.215 -1.936 460 HA GLU 64 HA GLU 64 7.892 5.865 -2.061 461 1HB GLU 64 1HB GLU 64 9.352 5.212 -3.631 462 2HB GLU 64 2HB GLU 64 9.129 3.646 -2.938 463 1HG GLU 64 1HG GLU 64 8.941 3.163 -5.118 464 2HG GLU 64 2HG GLU 64 7.233 3.349 -4.745 465 H ARG 65 H ARG 65 6.774 7.339 -3.292 466 HA ARG 65 HA ARG 65 3.976 7.209 -3.015 467 1HB ARG 65 1HB ARG 65 5.230 9.287 -2.817 468 2HB ARG 65 2HB ARG 65 5.944 9.092 -4.391 469 1HG ARG 65 1HG ARG 65 3.036 9.240 -4.689 470 2HG ARG 65 2HG ARG 65 3.592 10.521 -3.626 471 1HD ARG 65 1HD ARG 65 3.542 11.285 -5.947 472 2HD ARG 65 2HD ARG 65 5.190 11.337 -5.292 473 HE ARG 65 HE ARG 65 5.171 8.898 -6.361 474 1HH1 ARG 65 2HH2 ARG 65 4.317 11.941 -7.965 475 2HH1 ARG 65 1HH2 ARG 65 4.501 11.266 -9.554 476 1HH2 ARG 65 2HH1 ARG 65 5.320 8.031 -8.285 477 2HH2 ARG 65 1HH1 ARG 65 5.066 8.897 -9.766 478 H LEU 66 H LEU 66 2.675 5.812 -4.241 479 HA LEU 66 HA LEU 66 2.769 6.266 -7.166 480 1HB LEU 66 1HB LEU 66 3.086 3.641 -5.793 481 2HB LEU 66 2HB LEU 66 2.479 3.843 -7.461 482 HG LEU 66 HG LEU 66 5.237 4.635 -6.476 483 1HD1 LEU 66 1HD1 LEU 66 5.879 2.745 -7.946 484 2HD1 LEU 66 2HD1 LEU 66 4.895 2.271 -6.517 485 3HD1 LEU 66 3HD1 LEU 66 4.160 2.349 -8.150 486 1HD2 LEU 66 1HD2 LEU 66 5.811 4.935 -8.827 487 2HD2 LEU 66 2HD2 LEU 66 4.156 4.554 -9.340 488 3HD2 LEU 66 3HD2 LEU 66 4.501 6.047 -8.432 489 H GLN 67 H GLN 67 0.728 7.089 -7.441 490 HA GLN 67 HA GLN 67 -1.500 6.322 -5.685 491 1HB GLN 67 1HB GLN 67 -2.051 8.661 -5.720 492 2HB GLN 67 2HB GLN 67 -0.433 8.482 -5.165 493 1HG GLN 67 1HG GLN 67 -1.725 9.888 -7.414 494 2HG GLN 67 2HG GLN 67 -0.530 10.437 -6.276 495 1HE2 GLN 67 1HE2 GLN 67 1.399 11.013 -7.435 496 2HE2 GLN 67 2HE2 GLN 67 1.969 10.111 -8.833 497 H ASP 68 H ASP 68 -0.928 5.032 -8.359 498 HA ASP 68 HA ASP 68 -3.518 5.687 -9.625 499 1HB ASP 68 1HB ASP 68 -1.693 6.934 -10.685 500 2HB ASP 68 2HB ASP 68 -0.802 5.447 -10.963 501 H VAL 69 H VAL 69 -4.274 4.076 -11.093 502 HA VAL 69 HA VAL 69 -3.875 1.256 -10.341 503 HB VAL 69 HB VAL 69 -6.041 2.565 -10.923 504 1HG1 VAL 69 1HG1 VAL 69 -6.765 2.592 -13.242 505 2HG1 VAL 69 2HG1 VAL 69 -5.270 3.528 -13.105 506 3HG1 VAL 69 3HG1 VAL 69 -5.244 1.892 -13.785 507 1HG2 VAL 69 1HG2 VAL 69 -7.179 0.633 -11.634 508 2HG2 VAL 69 2HG2 VAL 69 -5.711 -0.058 -12.354 509 3HG2 VAL 69 3HG2 VAL 69 -5.856 0.095 -10.585 510 H GLY 70 H GLY 70 -2.991 3.378 -13.113 511 1HA GLY 70 1HA GLY 70 -1.600 1.240 -14.472 512 2HA GLY 70 2HA GLY 70 -1.474 2.986 -14.781 513 H ALA 71 H ALA 71 -1.016 2.915 -11.639 514 HA ALA 71 HA ALA 71 1.903 2.522 -11.776 515 1HB ALA 71 1HB ALA 71 0.371 3.784 -9.514 516 2HB ALA 71 2HB ALA 71 2.107 3.439 -9.582 517 3HB ALA 71 3HB ALA 71 1.392 4.582 -10.723 518 H ILE 72 H ILE 72 -0.838 1.326 -9.510 519 HA ILE 72 HA ILE 72 0.618 -1.224 -9.571 520 HB ILE 72 HB ILE 72 -0.636 -0.202 -7.082 521 1HG1 ILE 72 1HG1 ILE 72 1.958 0.305 -6.542 522 2HG1 ILE 72 2HG1 ILE 72 1.990 0.830 -8.173 523 1HG2 ILE 72 1HG2 ILE 72 0.111 -2.566 -7.311 524 2HG2 ILE 72 2HG2 ILE 72 1.743 -2.008 -7.688 525 3HG2 ILE 72 3HG2 ILE 72 1.036 -1.719 -6.081 526 1HD1 ILE 72 1HD1 ILE 72 -0.158 1.770 -6.181 527 2HD1 ILE 72 2HD1 ILE 72 1.395 2.485 -6.221 528 3HD1 ILE 72 3HD1 ILE 72 0.370 2.609 -7.655 529 H LEU 73 H LEU 73 -0.645 -3.130 -9.671 530 HA LEU 73 HA LEU 73 -3.466 -3.051 -8.976 531 1HB LEU 73 1HB LEU 73 -1.991 -4.909 -10.816 532 2HB LEU 73 2HB LEU 73 -3.677 -5.004 -10.344 533 HG LEU 73 HG LEU 73 -2.464 -2.614 -11.812 534 1HD1 LEU 73 1HD1 LEU 73 -4.293 -4.760 -12.922 535 2HD1 LEU 73 2HD1 LEU 73 -3.614 -3.371 -13.797 536 3HD1 LEU 73 3HD1 LEU 73 -2.554 -4.666 -13.247 537 1HD2 LEU 73 1HD2 LEU 73 -4.795 -2.022 -12.310 538 2HD2 LEU 73 2HD2 LEU 73 -5.329 -3.234 -11.125 539 3HD2 LEU 73 3HD2 LEU 73 -4.325 -1.827 -10.627 540 H THR 74 H THR 74 -1.325 -5.859 -9.129 541 HA THR 74 HA THR 74 -1.735 -6.244 -6.301 542 HB THR 74 HB THR 74 -0.930 -8.653 -7.457 543 HG1 THR 74 1HG THR 74 -1.096 -8.454 -9.578 544 1HG2 THR 74 1HG2 THR 74 -3.655 -7.327 -7.464 545 2HG2 THR 74 2HG2 THR 74 -3.305 -9.075 -7.376 546 3HG2 THR 74 3HG2 THR 74 -2.904 -8.032 -6.041 547 H ALA 75 H ALA 75 -0.178 -8.119 -5.431 548 HA ALA 75 HA ALA 75 2.296 -6.961 -4.834 549 1HB ALA 75 1HB ALA 75 1.292 -8.763 -3.465 550 2HB ALA 75 2HB ALA 75 1.348 -9.890 -4.838 551 3HB ALA 75 3HB ALA 75 2.850 -9.336 -4.099 552 H GLU 76 H GLU 76 1.614 -9.624 -7.142 553 HA GLU 76 HA GLU 76 4.256 -9.581 -8.310 554 1HB GLU 76 1HB GLU 76 3.191 -11.087 -10.009 555 2HB GLU 76 2HB GLU 76 3.034 -11.596 -8.335 556 1HG GLU 76 1HG GLU 76 0.964 -12.058 -9.169 557 2HG GLU 76 2HG GLU 76 0.693 -10.522 -8.372 558 H HIS 77 H HIS 77 1.868 -7.279 -8.540 559 HA HIS 77 HA HIS 77 2.681 -6.487 -11.305 560 1HB HIS 77 1HB HIS 77 0.302 -6.272 -10.560 561 2HB HIS 77 2HB HIS 77 0.854 -5.118 -9.337 562 HD1 HIS 77 1HD HIS 77 2.025 -2.777 -10.360 563 HD2 HIS 77 2HD HIS 77 -0.569 -5.180 -12.632 564 HE1 HIS 77 1HE HIS 77 0.607 -1.213 -11.827 565 H ARG 78 H ARG 78 3.488 -6.021 -7.864 566 HA ARG 78 HA ARG 78 4.803 -3.479 -8.572 567 1HB ARG 78 1HB ARG 78 2.961 -3.663 -6.719 568 2HB ARG 78 2HB ARG 78 4.212 -4.356 -5.740 569 1HG ARG 78 1HG ARG 78 3.693 -1.552 -6.449 570 2HG ARG 78 2HG ARG 78 4.574 -2.218 -5.107 571 1HD ARG 78 1HD ARG 78 6.603 -2.454 -6.525 572 2HD ARG 78 2HD ARG 78 5.721 -1.836 -7.918 573 HE ARG 78 HE ARG 78 5.488 0.296 -6.880 574 1HH1 ARG 78 2HH2 ARG 78 8.115 -1.737 -5.556 575 2HH1 ARG 78 1HH2 ARG 78 9.289 -0.438 -5.741 576 1HH2 ARG 78 2HH1 ARG 78 7.122 2.011 -6.892 577 2HH2 ARG 78 1HH1 ARG 78 8.705 1.579 -6.380 578 H LEU 79 H LEU 79 5.384 -6.362 -6.268 579 HA LEU 79 HA LEU 79 8.236 -6.063 -6.774 580 1HB LEU 79 1HB LEU 79 7.749 -8.120 -4.990 581 2HB LEU 79 2HB LEU 79 8.250 -6.466 -4.629 582 HG LEU 79 HG LEU 79 5.376 -7.418 -4.514 583 1HD1 LEU 79 1HD1 LEU 79 6.816 -8.597 -2.829 584 2HD1 LEU 79 2HD1 LEU 79 7.522 -7.034 -2.416 585 3HD1 LEU 79 3HD1 LEU 79 5.869 -7.323 -1.979 586 1HD2 LEU 79 1HD2 LEU 79 6.088 -4.831 -4.586 587 2HD2 LEU 79 2HD2 LEU 79 4.852 -5.402 -3.489 588 3HD2 LEU 79 3HD2 LEU 79 6.515 -5.107 -2.913 589 H GLU 80 H GLU 80 9.173 -8.503 -6.787 590 HA GLU 80 HA GLU 80 8.492 -9.852 -9.127 591 1HB GLU 80 1HB GLU 80 9.917 -11.592 -8.321 592 2HB GLU 80 2HB GLU 80 10.546 -10.079 -7.672 593 1HG GLU 80 1HG GLU 80 8.932 -10.729 -5.608 594 2HG GLU 80 2HG GLU 80 9.162 -12.356 -6.247 595 H GLY 81 H GLY 81 6.797 -9.894 -6.075 596 1HA GLY 81 1HA GLY 81 4.460 -10.479 -6.292 597 2HA GLY 81 2HA GLY 81 4.992 -11.956 -7.084 598 H ARG 82 H ARG 82 4.875 -10.199 -4.038 599 HA ARG 82 HA ARG 82 4.240 -12.739 -2.759 600 1HB ARG 82 1HB ARG 82 6.483 -11.050 -1.551 601 2HB ARG 82 2HB ARG 82 5.553 -12.286 -0.694 602 1HG ARG 82 1HG ARG 82 6.293 -13.906 -2.584 603 2HG ARG 82 2HG ARG 82 7.473 -12.667 -3.004 604 1HD ARG 82 1HD ARG 82 8.663 -14.123 -1.586 605 2HD ARG 82 2HD ARG 82 8.231 -12.780 -0.538 606 HE ARG 82 HE ARG 82 7.132 -14.250 0.791 607 1HH1 ARG 82 2HH2 ARG 82 7.563 -15.812 -2.371 608 2HH1 ARG 82 1HH2 ARG 82 6.860 -17.309 -1.901 609 1HH2 ARG 82 2HH1 ARG 82 5.996 -16.160 1.379 610 2HH2 ARG 82 1HH1 ARG 82 5.951 -17.537 0.314 611 H PHE 83 H PHE 83 4.975 -9.353 -1.835 612 HA PHE 83 HA PHE 83 2.247 -9.130 -0.687 613 1HB PHE 83 1HB PHE 83 4.830 -7.975 0.427 614 2HB PHE 83 2HB PHE 83 3.255 -7.976 1.205 615 HD1 PHE 83 1HD PHE 83 2.611 -11.005 0.624 616 HD2 PHE 83 2HD PHE 83 6.048 -8.948 2.228 617 HE1 PHE 83 1HE PHE 83 3.181 -13.005 1.941 618 HE2 PHE 83 2HE PHE 83 6.593 -10.967 3.553 619 HZ PHE 83 HZ PHE 83 5.176 -12.959 3.421 620 H THR 84 H THR 84 2.226 -6.530 0.038 621 HA THR 84 HA THR 84 3.825 -4.850 -1.675 622 HB THR 84 HB THR 84 1.176 -5.407 -2.524 623 HG1 THR 84 1HG THR 84 1.715 -4.034 -4.111 624 1HG2 THR 84 1HG2 THR 84 1.435 -2.490 -1.668 625 2HG2 THR 84 2HG2 THR 84 0.129 -3.189 -2.645 626 3HG2 THR 84 3HG2 THR 84 0.308 -3.656 -0.957 627 H VAL 85 H VAL 85 4.452 -3.180 -0.371 628 HA VAL 85 HA VAL 85 3.331 -2.878 2.342 629 HB VAL 85 HB VAL 85 5.438 -1.081 1.047 630 1HG1 VAL 85 1HG1 VAL 85 4.681 -0.395 3.259 631 2HG1 VAL 85 2HG1 VAL 85 5.031 -2.004 3.909 632 3HG1 VAL 85 3HG1 VAL 85 6.354 -0.956 3.345 633 1HG2 VAL 85 1HG2 VAL 85 5.881 -3.845 2.149 634 2HG2 VAL 85 2HG2 VAL 85 6.375 -3.237 0.554 635 3HG2 VAL 85 3HG2 VAL 85 7.195 -2.653 2.002 636 H ILE 86 H ILE 86 1.840 -1.169 2.820 637 HA ILE 86 HA ILE 86 1.396 0.902 0.723 638 HB ILE 86 HB ILE 86 -0.570 -0.691 2.404 639 1HG1 ILE 86 1HG1 ILE 86 0.100 -1.740 0.259 640 2HG1 ILE 86 2HG1 ILE 86 -1.611 -1.326 0.289 641 1HG2 ILE 86 1HG2 ILE 86 -2.340 0.784 1.200 642 2HG2 ILE 86 2HG2 ILE 86 -1.461 1.532 2.534 643 3HG2 ILE 86 3HG2 ILE 86 -0.987 1.887 0.869 644 1HD1 ILE 86 1HD1 ILE 86 -1.223 0.662 -1.085 645 2HD1 ILE 86 2HD1 ILE 86 0.527 0.395 -1.034 646 3HD1 ILE 86 3HD1 ILE 86 -0.513 -0.731 -1.902 647 H ARG 87 H ARG 87 2.498 2.557 1.594 648 HA ARG 87 HA ARG 87 2.088 3.114 4.510 649 1HB ARG 87 1HB ARG 87 4.417 3.039 3.599 650 2HB ARG 87 2HB ARG 87 3.982 4.300 2.465 651 1HG ARG 87 1HG ARG 87 3.540 5.845 4.436 652 2HG ARG 87 2HG ARG 87 4.129 4.539 5.476 653 1HD ARG 87 1HD ARG 87 6.233 4.570 3.891 654 2HD ARG 87 2HD ARG 87 5.641 6.164 3.396 655 HE ARG 87 HE ARG 87 5.673 6.220 6.175 656 1HH1 ARG 87 2HH2 ARG 87 8.074 6.054 3.584 657 2HH1 ARG 87 1HH2 ARG 87 9.458 6.011 4.613 658 1HH2 ARG 87 2HH1 ARG 87 7.520 6.380 7.603 659 2HH2 ARG 87 1HH1 ARG 87 9.085 6.590 6.920 660 H ARG 88 H ARG 88 -0.179 3.741 4.202 661 HA ARG 88 HA ARG 88 -0.705 6.092 2.465 662 1HB ARG 88 1HB ARG 88 -2.496 4.492 2.527 663 2HB ARG 88 2HB ARG 88 -2.420 4.349 4.280 664 1HG ARG 88 1HG ARG 88 -4.393 5.616 3.575 665 2HG ARG 88 2HG ARG 88 -3.323 6.620 4.558 666 1HD ARG 88 1HD ARG 88 -2.408 7.636 2.488 667 2HD ARG 88 2HD ARG 88 -3.512 6.654 1.517 668 HE ARG 88 HE ARG 88 -5.325 7.798 2.990 669 1HH1 ARG 88 2HH2 ARG 88 -2.461 9.393 1.605 670 2HH1 ARG 88 1HH2 ARG 88 -3.366 10.825 1.129 671 1HH2 ARG 88 2HH1 ARG 88 -6.434 9.686 2.203 672 2HH2 ARG 88 1HH1 ARG 88 -5.544 11.006 1.487 673 H GLY 89 H GLY 89 0.534 7.772 3.325 674 1HA GLY 89 1HA GLY 89 1.196 8.214 6.030 675 2HA GLY 89 2HA GLY 89 1.091 9.446 4.758 676 H LYS 90 H LYS 90 0.356 9.809 7.490 677 HA LYS 90 HA LYS 90 -1.157 10.773 8.806 678 1HB LYS 90 1HB LYS 90 -2.304 11.792 6.791 679 2HB LYS 90 2HB LYS 90 -3.359 10.370 6.745 680 1HG LYS 90 1HG LYS 90 -4.145 10.873 9.043 681 2HG LYS 90 2HG LYS 90 -3.111 12.320 9.069 682 1HD LYS 90 1HD LYS 90 -4.321 13.223 7.101 683 2HD LYS 90 2HD LYS 90 -5.334 11.762 7.049 684 1HE LYS 90 1HE LYS 90 -6.164 12.283 9.346 685 2HE LYS 90 2HE LYS 90 -5.195 13.764 9.349 686 1HZ LYS 90 1HZ LYS 90 -7.388 13.157 7.454 687 2HZ LYS 90 2HZ LYS 90 -7.482 14.198 8.721 688 3HZ LYS 90 3HZ LYS 90 -6.493 14.535 7.454 689 H LYS 91 H LYS 91 -2.280 7.920 6.966 690 HA LYS 91 HA LYS 91 -2.865 6.566 9.537 691 1HB LYS 91 1HB LYS 91 -4.475 6.470 7.482 692 2HB LYS 91 2HB LYS 91 -3.292 5.366 6.794 693 1HG LYS 91 1HG LYS 91 -5.060 4.135 7.831 694 2HG LYS 91 2HG LYS 91 -3.606 3.862 8.794 695 1HD LYS 91 1HD LYS 91 -4.509 5.534 10.475 696 2HD LYS 91 2HD LYS 91 -5.974 5.657 9.463 697 1HE LYS 91 1HE LYS 91 -6.171 3.120 9.666 698 2HE LYS 91 2HE LYS 91 -4.863 3.166 10.846 699 1HZ LYS 91 1HZ LYS 91 -6.309 4.642 12.180 700 2HZ LYS 91 2HZ LYS 91 -7.549 4.377 11.077 701 3HZ LYS 91 3HZ LYS 91 -6.930 3.166 11.972 702 H LYS 92 H LYS 92 -1.917 3.934 8.203 703 HA LYS 92 HA LYS 92 0.932 4.400 8.772 704 1HB LYS 92 1HB LYS 92 -0.921 3.249 10.497 705 2HB LYS 92 2HB LYS 92 -0.297 1.855 9.661 706 1HG LYS 92 1HG LYS 92 1.155 2.099 11.508 707 2HG LYS 92 2HG LYS 92 2.057 2.787 10.170 708 1HD LYS 92 1HD LYS 92 2.392 4.314 11.930 709 2HD LYS 92 2HD LYS 92 1.206 5.088 10.890 710 1HE LYS 92 1HE LYS 92 0.513 5.433 13.140 711 2HE LYS 92 2HE LYS 92 -0.618 4.284 12.435 712 1HZ LYS 92 1HZ LYS 92 1.665 3.596 14.205 713 2HZ LYS 92 2HZ LYS 92 0.076 3.629 14.641 714 3HZ LYS 92 3HZ LYS 92 0.636 2.500 13.583 715 H TYR 93 H TYR 93 1.380 1.628 8.581 716 HA TYR 93 HA TYR 93 1.825 1.307 5.689 717 1HB TYR 93 1HB TYR 93 3.099 -0.300 7.878 718 2HB TYR 93 2HB TYR 93 3.575 -0.159 6.195 719 HD1 TYR 93 1HD TYR 93 5.009 1.736 5.501 720 HD2 TYR 93 2HD TYR 93 3.625 1.326 9.562 721 HE1 TYR 93 1HE TYR 93 6.571 3.508 6.219 722 HE2 TYR 93 2HE TYR 93 5.071 3.192 10.265 723 HH TYR 93 HH TYR 93 6.523 4.838 9.566 724 H TYR 94 H TYR 94 -0.217 0.253 5.020 725 HA TYR 94 HA TYR 94 -1.099 -2.107 6.593 726 1HB TYR 94 1HB TYR 94 -2.022 -0.694 4.081 727 2HB TYR 94 2HB TYR 94 -2.631 -2.216 4.588 728 HD1 TYR 94 1HD TYR 94 -4.118 -2.470 6.492 729 HD2 TYR 94 2HD TYR 94 -2.450 1.371 5.479 730 HE1 TYR 94 1HE TYR 94 -5.756 -1.396 7.974 731 HE2 TYR 94 2HE TYR 94 -4.132 2.472 6.888 732 HH TYR 94 HH TYR 94 -6.614 0.596 8.716 733 H LEU 95 H LEU 95 -1.322 -4.017 5.281 734 HA LEU 95 HA LEU 95 1.083 -4.492 3.620 735 1HB LEU 95 1HB LEU 95 1.404 -5.017 6.057 736 2HB LEU 95 2HB LEU 95 0.287 -6.370 5.818 737 HG LEU 95 HG LEU 95 3.014 -5.925 4.539 738 1HD1 LEU 95 1HD1 LEU 95 3.664 -7.938 5.825 739 2HD1 LEU 95 2HD1 LEU 95 3.055 -6.681 6.906 740 3HD1 LEU 95 3HD1 LEU 95 2.031 -8.060 6.488 741 1HD2 LEU 95 1HD2 LEU 95 1.023 -8.169 4.055 742 2HD2 LEU 95 2HD2 LEU 95 1.808 -7.095 2.856 743 3HD2 LEU 95 3HD2 LEU 95 2.754 -8.308 3.706 744 H ILE 96 H ILE 96 0.508 -5.575 1.893 745 HA ILE 96 HA ILE 96 -2.200 -6.915 1.742 746 HB ILE 96 HB ILE 96 -0.688 -5.526 -0.489 747 1HG1 ILE 96 1HG1 ILE 96 -1.403 -3.814 1.185 748 2HG1 ILE 96 2HG1 ILE 96 -2.156 -3.624 -0.364 749 1HG2 ILE 96 1HG2 ILE 96 -3.528 -6.611 -0.420 750 2HG2 ILE 96 2HG2 ILE 96 -2.785 -5.716 -1.766 751 3HG2 ILE 96 3HG2 ILE 96 -2.155 -7.284 -1.309 752 1HD1 ILE 96 1HD1 ILE 96 -3.478 -4.897 2.064 753 2HD1 ILE 96 2HD1 ILE 96 -3.721 -3.242 1.471 754 3HD1 ILE 96 3HD1 ILE 96 -4.255 -4.608 0.483 755 H ARG 97 H ARG 97 -2.043 -9.160 1.281 756 HA ARG 97 HA ARG 97 0.141 -9.983 -0.518 757 1HB ARG 97 1HB ARG 97 0.222 -12.025 0.870 758 2HB ARG 97 2HB ARG 97 0.832 -10.611 1.677 759 1HG ARG 97 1HG ARG 97 -1.056 -10.484 3.134 760 2HG ARG 97 2HG ARG 97 -1.973 -11.631 2.133 761 1HD ARG 97 1HD ARG 97 -0.132 -13.318 2.649 762 2HD ARG 97 2HD ARG 97 0.432 -12.194 3.896 763 HE ARG 97 HE ARG 97 -1.969 -12.343 4.800 764 1HH1 ARG 97 2HH2 ARG 97 -0.345 -15.168 3.347 765 2HH1 ARG 97 1HH2 ARG 97 -1.694 -16.239 3.622 766 1HH2 ARG 97 2HH1 ARG 97 -3.488 -13.745 5.445 767 2HH2 ARG 97 1HH1 ARG 97 -3.399 -15.462 5.154 768 H TYR 98 H TYR 98 -0.403 -12.447 -1.164 769 HA TYR 98 HA TYR 98 -3.261 -12.731 -1.536 770 1HB TYR 98 1HB TYR 98 -2.394 -14.187 -3.510 771 2HB TYR 98 2HB TYR 98 -2.786 -12.489 -3.718 772 HD1 TYR 98 1HD TYR 98 0.407 -14.135 -2.424 773 HD2 TYR 98 2HD TYR 98 -1.545 -11.903 -5.597 774 HE1 TYR 98 1HE TYR 98 2.526 -14.058 -3.700 775 HE2 TYR 98 2HE TYR 98 0.555 -11.890 -6.837 776 HH TYR 98 HH TYR 98 3.205 -13.933 -6.085 777 H ALA 99 H ALA 99 -3.878 -14.938 -1.804 778 HA ALA 99 HA ALA 99 -3.214 -16.537 0.418 779 1HB ALA 99 1HB ALA 99 -4.870 -18.084 -0.634 780 2HB ALA 99 2HB ALA 99 -5.454 -16.416 -0.569 781 3HB ALA 99 3HB ALA 99 -4.853 -17.094 -2.101 Start of MODEL 16 1 1H ALA 1 1H ALA 1 21.285 -5.931 -0.240 2 2H ALA 1 2H ALA 1 21.743 -6.968 -1.443 3 3H ALA 1 3H ALA 1 21.303 -5.433 -1.820 4 HA ALA 1 HA ALA 1 19.593 -7.540 -0.739 5 1HB ALA 1 1HB ALA 1 17.719 -6.030 -0.895 6 2HB ALA 1 2HB ALA 1 18.965 -5.264 0.105 7 3HB ALA 1 3HB ALA 1 18.718 -4.728 -1.560 8 H LEU 2 H LEU 2 19.492 -5.140 -3.435 9 HA LEU 2 HA LEU 2 20.121 -7.061 -5.440 10 1HB LEU 2 1HB LEU 2 17.722 -7.580 -5.193 11 2HB LEU 2 2HB LEU 2 17.291 -5.899 -5.426 12 HG LEU 2 HG LEU 2 16.810 -7.229 -7.364 13 1HD1 LEU 2 1HD1 LEU 2 17.554 -4.857 -7.700 14 2HD1 LEU 2 2HD1 LEU 2 19.161 -5.492 -8.152 15 3HD1 LEU 2 3HD1 LEU 2 17.745 -5.932 -9.100 16 1HD2 LEU 2 1HD2 LEU 2 18.474 -8.998 -7.126 17 2HD2 LEU 2 2HD2 LEU 2 18.553 -8.259 -8.734 18 3HD2 LEU 2 3HD2 LEU 2 19.781 -7.859 -7.525 19 H PHE 3 H PHE 3 21.653 -5.781 -6.203 20 HA PHE 3 HA PHE 3 22.100 -3.230 -5.355 21 1HB PHE 3 1HB PHE 3 23.766 -4.801 -6.050 22 2HB PHE 3 2HB PHE 3 23.219 -4.786 -7.705 23 HD1 PHE 3 1HD PHE 3 25.425 -3.319 -5.272 24 HD2 PHE 3 2HD PHE 3 23.635 -2.721 -9.156 25 HE1 PHE 3 1HE PHE 3 27.220 -1.752 -5.856 26 HE2 PHE 3 2HE PHE 3 25.475 -1.160 -9.734 27 HZ PHE 3 HZ PHE 3 27.275 -0.686 -8.102 28 H SER 4 H SER 4 20.650 -4.032 -8.599 29 HA SER 4 HA SER 4 19.454 -1.348 -8.595 30 1HB SER 4 1HB SER 4 21.345 -2.301 -10.790 31 2HB SER 4 2HB SER 4 20.261 -0.896 -10.924 32 HG SER 4 HG SER 4 21.782 -0.999 -8.619 33 H GLY 5 H GLY 5 17.339 -1.875 -8.852 34 1HA GLY 5 1HA GLY 5 16.032 -2.836 -10.945 35 2HA GLY 5 2HA GLY 5 16.552 -4.351 -10.185 36 H ASP 6 H ASP 6 14.592 -5.046 -9.217 37 HA ASP 6 HA ASP 6 12.773 -3.043 -8.177 38 1HB ASP 6 1HB ASP 6 12.549 -6.045 -7.710 39 2HB ASP 6 2HB ASP 6 11.280 -4.843 -7.564 40 H ILE 7 H ILE 7 11.848 -3.228 -5.987 41 HA ILE 7 HA ILE 7 13.878 -2.989 -3.985 42 HB ILE 7 HB ILE 7 11.764 -2.783 -2.476 43 1HG1 ILE 7 1HG1 ILE 7 9.798 -1.936 -3.465 44 2HG1 ILE 7 2HG1 ILE 7 10.455 -1.965 -5.079 45 1HG2 ILE 7 1HG2 ILE 7 13.229 -0.951 -2.997 46 2HG2 ILE 7 2HG2 ILE 7 12.588 -0.825 -4.652 47 3HG2 ILE 7 3HG2 ILE 7 11.579 -0.385 -3.265 48 1HD1 ILE 7 1HD1 ILE 7 10.355 -4.470 -5.063 49 2HD1 ILE 7 2HD1 ILE 7 9.606 -4.382 -3.451 50 3HD1 ILE 7 3HD1 ILE 7 8.794 -3.696 -4.873 51 H ALA 8 H ALA 8 14.994 -4.860 -3.821 52 HA ALA 8 HA ALA 8 13.697 -7.250 -2.683 53 1HB ALA 8 1HB ALA 8 15.964 -8.186 -2.681 54 2HB ALA 8 2HB ALA 8 15.573 -7.500 -4.270 55 3HB ALA 8 3HB ALA 8 16.633 -6.606 -3.144 56 H ASN 9 H ASN 9 14.626 -4.259 -1.528 57 HA ASN 9 HA ASN 9 15.493 -5.061 1.135 58 1HB ASN 9 1HB ASN 9 14.495 -2.460 -0.142 59 2HB ASN 9 2HB ASN 9 14.810 -2.624 1.566 60 1HD2 ASN 9 1HD2 ASN 9 16.325 -1.928 -1.483 61 2HD2 ASN 9 2HD2 ASN 9 17.939 -1.881 -0.831 62 H LEU 10 H LEU 10 12.559 -4.500 -0.670 63 HA LEU 10 HA LEU 10 10.758 -5.000 1.607 64 1HB LEU 10 1HB LEU 10 10.580 -4.399 -1.356 65 2HB LEU 10 2HB LEU 10 9.204 -5.018 -0.558 66 HG LEU 10 HG LEU 10 9.284 -2.636 -0.864 67 1HD1 LEU 10 1HD1 LEU 10 7.739 -3.278 0.811 68 2HD1 LEU 10 2HD1 LEU 10 9.032 -3.460 2.035 69 3HD1 LEU 10 3HD1 LEU 10 8.554 -1.865 1.437 70 1HD2 LEU 10 1HD2 LEU 10 11.359 -2.423 1.347 71 2HD2 LEU 10 2HD2 LEU 10 11.663 -2.092 -0.371 72 3HD2 LEU 10 3HD2 LEU 10 10.551 -1.078 0.550 73 H THR 11 H THR 11 12.308 -7.017 1.959 74 HA THR 11 HA THR 11 11.829 -9.265 0.157 75 HB THR 11 HB THR 11 12.956 -9.809 2.811 76 HG1 THR 11 1HG THR 11 14.405 -7.992 1.139 77 1HG2 THR 11 1HG2 THR 11 14.807 -10.758 1.551 78 2HG2 THR 11 2HG2 THR 11 13.265 -11.283 0.871 79 3HG2 THR 11 3HG2 THR 11 14.210 -10.019 0.047 80 H ALA 12 H ALA 12 10.991 -11.212 1.472 81 HA ALA 12 HA ALA 12 8.286 -10.442 2.315 82 1HB ALA 12 1HB ALA 12 7.992 -12.934 2.643 83 2HB ALA 12 2HB ALA 12 8.485 -12.450 1.005 84 3HB ALA 12 3HB ALA 12 9.660 -13.167 2.138 85 H ALA 13 H ALA 13 10.999 -11.965 4.028 86 HA ALA 13 HA ALA 13 9.584 -11.959 6.573 87 1HB ALA 13 1HB ALA 13 11.538 -13.381 6.302 88 2HB ALA 13 2HB ALA 13 12.581 -11.970 5.968 89 3HB ALA 13 3HB ALA 13 11.859 -12.195 7.574 90 H GLU 14 H GLU 14 11.370 -9.520 4.673 91 HA GLU 14 HA GLU 14 11.941 -7.851 6.937 92 1HB GLU 14 1HB GLU 14 12.967 -8.209 4.391 93 2HB GLU 14 2HB GLU 14 11.921 -6.841 4.087 94 1HG GLU 14 1HG GLU 14 13.832 -5.710 4.766 95 2HG GLU 14 2HG GLU 14 13.118 -5.925 6.358 96 H ILE 15 H ILE 15 9.507 -8.035 4.301 97 HA ILE 15 HA ILE 15 8.093 -5.716 5.088 98 HB ILE 15 HB ILE 15 7.605 -8.092 3.261 99 1HG1 ILE 15 1HG1 ILE 15 7.455 -5.070 2.910 100 2HG1 ILE 15 2HG1 ILE 15 8.917 -5.996 2.650 101 1HG2 ILE 15 1HG2 ILE 15 5.330 -7.213 2.698 102 2HG2 ILE 15 2HG2 ILE 15 5.432 -7.877 4.305 103 3HG2 ILE 15 3HG2 ILE 15 5.453 -6.113 4.082 104 1HD1 ILE 15 1HD1 ILE 15 7.562 -5.371 0.574 105 2HD1 ILE 15 2HD1 ILE 15 8.057 -7.065 0.701 106 3HD1 ILE 15 3HD1 ILE 15 6.384 -6.529 1.024 107 H GLU 16 H GLU 16 7.533 -9.225 5.752 108 HA GLU 16 HA GLU 16 5.252 -8.864 7.346 109 1HB GLU 16 1HB GLU 16 7.578 -10.776 7.442 110 2HB GLU 16 2HB GLU 16 6.382 -10.829 8.730 111 1HG GLU 16 1HG GLU 16 5.446 -10.986 5.851 112 2HG GLU 16 2HG GLU 16 6.149 -12.408 6.618 113 H GLN 17 H GLN 17 8.701 -8.824 8.572 114 HA GLN 17 HA GLN 17 7.599 -8.168 11.215 115 1HB GLN 17 1HB GLN 17 10.494 -8.019 10.447 116 2HB GLN 17 2HB GLN 17 9.764 -8.259 12.035 117 1HG GLN 17 1HG GLN 17 10.382 -10.248 9.888 118 2HG GLN 17 2HG GLN 17 10.672 -10.317 11.595 119 1HE2 GLN 17 1HE2 GLN 17 9.481 -12.396 9.801 120 2HE2 GLN 17 2HE2 GLN 17 7.938 -12.769 10.501 121 H GLY 18 H GLY 18 8.592 -6.439 8.327 122 1HA GLY 18 1HA GLY 18 9.454 -4.046 9.531 123 2HA GLY 18 2HA GLY 18 8.912 -4.294 7.857 124 H PHE 19 H PHE 19 6.325 -5.374 8.303 125 HA PHE 19 HA PHE 19 5.060 -2.789 9.099 126 1HB PHE 19 1HB PHE 19 4.496 -4.621 6.779 127 2HB PHE 19 2HB PHE 19 3.642 -3.132 7.165 128 HD1 PHE 19 1HD PHE 19 6.411 -4.456 5.378 129 HD2 PHE 19 2HD PHE 19 5.218 -1.008 7.613 130 HE1 PHE 19 1HE PHE 19 8.451 -3.263 4.596 131 HE2 PHE 19 2HE PHE 19 7.225 0.228 6.781 132 HZ PHE 19 HZ PHE 19 8.865 -0.933 5.323 133 H LYS 20 H LYS 20 5.237 -5.772 10.267 134 HA LYS 20 HA LYS 20 2.650 -6.228 11.317 135 1HB LYS 20 1HB LYS 20 5.472 -7.003 11.914 136 2HB LYS 20 2HB LYS 20 4.414 -7.103 13.307 137 1HG LYS 20 1HG LYS 20 2.812 -8.506 12.147 138 2HG LYS 20 2HG LYS 20 3.653 -8.277 10.609 139 1HD LYS 20 1HD LYS 20 5.707 -9.300 11.791 140 2HD LYS 20 2HD LYS 20 4.566 -9.858 13.038 141 1HE LYS 20 1HE LYS 20 3.249 -11.024 11.272 142 2HE LYS 20 2HE LYS 20 4.324 -10.363 10.034 143 1HZ LYS 20 1HZ LYS 20 5.010 -12.489 10.407 144 2HZ LYS 20 2HZ LYS 20 6.141 -11.584 11.219 145 3HZ LYS 20 3HZ LYS 20 4.982 -12.372 12.069 146 H ASP 21 H ASP 21 3.598 -3.291 11.459 147 HA ASP 21 HA ASP 21 2.981 -2.654 14.296 148 1HB ASP 21 1HB ASP 21 4.505 -1.127 13.178 149 2HB ASP 21 2HB ASP 21 3.425 -0.980 11.788 150 H VAL 22 H VAL 22 1.430 -3.196 11.101 151 HA VAL 22 HA VAL 22 -1.198 -2.460 12.206 152 HB VAL 22 HB VAL 22 -1.066 -2.255 9.351 153 1HG1 VAL 22 1HG1 VAL 22 -2.561 -0.957 11.036 154 2HG1 VAL 22 2HG1 VAL 22 -1.184 0.105 11.264 155 3HG1 VAL 22 3HG1 VAL 22 -1.942 -0.060 9.654 156 1HG2 VAL 22 1HG2 VAL 22 1.057 -0.472 10.611 157 2HG2 VAL 22 2HG2 VAL 22 1.320 -1.763 9.414 158 3HG2 VAL 22 3HG2 VAL 22 0.386 -0.327 8.980 159 HA PRO 23 HA PRO 23 -2.088 -6.614 10.706 160 1HB PRO 23 1HB PRO 23 -4.719 -6.543 9.978 161 2HB PRO 23 2HB PRO 23 -4.184 -6.410 11.679 162 1HG PRO 23 1HG PRO 23 -4.893 -4.170 9.761 163 2HG PRO 23 2HG PRO 23 -5.472 -4.422 11.438 164 1HD PRO 23 1HD PRO 23 -3.407 -2.776 10.752 165 2HD PRO 23 2HD PRO 23 -3.429 -3.645 12.323 166 H SER 24 H SER 24 -3.298 -7.644 8.646 167 HA SER 24 HA SER 24 -2.157 -6.291 6.263 168 1HB SER 24 1HB SER 24 -1.368 -8.504 5.507 169 2HB SER 24 2HB SER 24 -0.627 -8.036 7.046 170 HG SER 24 HG SER 24 -1.843 -9.465 8.124 171 H PHE 25 H PHE 25 -3.005 -7.621 4.154 172 HA PHE 25 HA PHE 25 -5.618 -8.884 4.671 173 1HB PHE 25 1HB PHE 25 -6.095 -6.639 4.016 174 2HB PHE 25 2HB PHE 25 -4.915 -6.714 2.697 175 HD1 PHE 25 1HD PHE 25 -8.126 -8.351 3.807 176 HD2 PHE 25 2HD PHE 25 -5.640 -7.059 0.522 177 HE1 PHE 25 1HE PHE 25 -9.866 -9.070 2.193 178 HE2 PHE 25 2HE PHE 25 -7.421 -7.680 -1.066 179 HZ PHE 25 HZ PHE 25 -9.528 -8.727 -0.238 180 H VAL 26 H VAL 26 -6.077 -10.401 3.046 181 HA VAL 26 HA VAL 26 -4.011 -10.978 1.103 182 HB VAL 26 HB VAL 26 -3.657 -12.303 3.184 183 1HG1 VAL 26 1HG1 VAL 26 -6.011 -12.927 3.658 184 2HG1 VAL 26 2HG1 VAL 26 -5.982 -13.973 2.224 185 3HG1 VAL 26 3HG1 VAL 26 -4.896 -14.315 3.572 186 1HG2 VAL 26 1HG2 VAL 26 -2.684 -12.905 0.963 187 2HG2 VAL 26 2HG2 VAL 26 -3.048 -14.339 1.930 188 3HG2 VAL 26 3HG2 VAL 26 -4.135 -13.855 0.606 189 H HIS 27 H HIS 27 -4.942 -11.137 -0.911 190 HA HIS 27 HA HIS 27 -7.776 -12.081 -0.963 191 1HB HIS 27 1HB HIS 27 -8.045 -10.866 -3.055 192 2HB HIS 27 2HB HIS 27 -7.822 -9.886 -1.651 193 HD1 HIS 27 1HD HIS 27 -7.345 -8.233 -3.952 194 HD2 HIS 27 2HD HIS 27 -4.392 -10.896 -2.680 195 HE1 HIS 27 1HE HIS 27 -5.139 -7.291 -4.745 196 H GLU 28 H GLU 28 -8.276 -12.945 -3.046 197 HA GLU 28 HA GLU 28 -6.979 -15.502 -3.033 198 1HB GLU 28 1HB GLU 28 -9.377 -14.485 -4.639 199 2HB GLU 28 2HB GLU 28 -8.885 -16.169 -4.551 200 1HG GLU 28 1HG GLU 28 -10.706 -15.899 -3.060 201 2HG GLU 28 2HG GLU 28 -9.250 -16.202 -2.116 202 H GLY 29 H GLY 29 -5.904 -13.081 -4.644 203 1HA GLY 29 1HA GLY 29 -4.150 -13.034 -6.258 204 2HA GLY 29 2HA GLY 29 -4.574 -14.671 -6.767 205 H GLY 30 H GLY 30 -4.067 -13.269 -8.850 206 1HA GLY 30 1HA GLY 30 -4.981 -12.498 -10.851 207 2HA GLY 30 2HA GLY 30 -6.554 -12.232 -10.061 208 H ASP 31 H ASP 31 -4.523 -10.360 -11.547 209 HA ASP 31 HA ASP 31 -3.653 -8.527 -9.528 210 1HB ASP 31 1HB ASP 31 -3.369 -6.884 -11.410 211 2HB ASP 31 2HB ASP 31 -2.371 -8.319 -11.368 212 H VAL 32 H VAL 32 -4.478 -6.534 -8.812 213 HA VAL 32 HA VAL 32 -7.366 -6.189 -9.219 214 HB VAL 32 HB VAL 32 -6.017 -7.204 -6.791 215 1HG1 VAL 32 1HG1 VAL 32 -8.744 -5.859 -6.691 216 2HG1 VAL 32 2HG1 VAL 32 -8.006 -6.787 -5.384 217 3HG1 VAL 32 3HG1 VAL 32 -7.264 -5.271 -5.892 218 1HG2 VAL 32 1HG2 VAL 32 -7.178 -8.825 -8.306 219 2HG2 VAL 32 2HG2 VAL 32 -7.887 -8.798 -6.700 220 3HG2 VAL 32 3HG2 VAL 32 -8.693 -7.960 -8.049 221 HA PRO 33 HA PRO 33 -5.988 -1.991 -9.005 222 1HB PRO 33 1HB PRO 33 -8.610 -1.583 -7.522 223 2HB PRO 33 2HB PRO 33 -7.945 -0.622 -8.868 224 1HG PRO 33 1HG PRO 33 -9.883 -2.442 -9.305 225 2HG PRO 33 2HG PRO 33 -8.501 -2.306 -10.446 226 1HD PRO 33 1HD PRO 33 -8.951 -4.363 -8.274 227 2HD PRO 33 2HD PRO 33 -8.250 -4.549 -9.909 228 H LEU 34 H LEU 34 -4.619 -0.762 -7.641 229 HA LEU 34 HA LEU 34 -4.296 -1.162 -4.987 230 1HB LEU 34 1HB LEU 34 -3.657 1.221 -4.751 231 2HB LEU 34 2HB LEU 34 -2.730 0.070 -5.660 232 HG LEU 34 HG LEU 34 -2.755 1.155 -7.479 233 1HD1 LEU 34 1HD1 LEU 34 -4.468 2.733 -8.434 234 2HD1 LEU 34 2HD1 LEU 34 -5.004 1.067 -8.309 235 3HD1 LEU 34 3HD1 LEU 34 -5.543 2.269 -7.120 236 1HD2 LEU 34 1HD2 LEU 34 -2.140 2.762 -5.603 237 2HD2 LEU 34 2HD2 LEU 34 -2.127 3.210 -7.312 238 3HD2 LEU 34 3HD2 LEU 34 -3.470 3.713 -6.309 239 H VAL 35 H VAL 35 -6.733 0.822 -6.490 240 HA VAL 35 HA VAL 35 -7.997 1.851 -4.068 241 HB VAL 35 HB VAL 35 -7.611 2.991 -6.286 242 1HG1 VAL 35 1HG1 VAL 35 -9.945 1.303 -7.229 243 2HG1 VAL 35 2HG1 VAL 35 -9.341 2.766 -8.026 244 3HG1 VAL 35 3HG1 VAL 35 -8.293 1.358 -7.893 245 1HG2 VAL 35 1HG2 VAL 35 -10.477 3.156 -5.429 246 2HG2 VAL 35 2HG2 VAL 35 -9.118 3.810 -4.481 247 3HG2 VAL 35 3HG2 VAL 35 -9.396 4.393 -6.131 248 H GLU 36 H GLU 36 -8.033 -1.182 -5.059 249 HA GLU 36 HA GLU 36 -10.763 -1.566 -3.975 250 1HB GLU 36 1HB GLU 36 -10.707 -2.144 -6.331 251 2HB GLU 36 2HB GLU 36 -9.279 -3.158 -6.096 252 1HG GLU 36 1HG GLU 36 -11.507 -4.298 -6.340 253 2HG GLU 36 2HG GLU 36 -10.432 -4.814 -5.031 254 H LEU 37 H LEU 37 -7.246 -2.589 -3.997 255 HA LEU 37 HA LEU 37 -7.802 -4.738 -2.084 256 1HB LEU 37 1HB LEU 37 -5.424 -5.081 -2.081 257 2HB LEU 37 2HB LEU 37 -6.042 -5.021 -3.722 258 HG LEU 37 HG LEU 37 -5.276 -2.502 -3.664 259 1HD1 LEU 37 1HD1 LEU 37 -3.515 -3.683 -1.506 260 2HD1 LEU 37 2HD1 LEU 37 -3.145 -2.186 -2.381 261 3HD1 LEU 37 3HD1 LEU 37 -4.540 -2.263 -1.318 262 1HD2 LEU 37 1HD2 LEU 37 -3.053 -3.208 -4.487 263 2HD2 LEU 37 2HD2 LEU 37 -3.328 -4.832 -3.822 264 3HD2 LEU 37 3HD2 LEU 37 -4.354 -4.206 -5.126 265 H LEU 38 H LEU 38 -7.065 -1.235 -2.063 266 HA LEU 38 HA LEU 38 -6.233 -1.439 0.623 267 1HB LEU 38 1HB LEU 38 -5.780 0.783 0.614 268 2HB LEU 38 2HB LEU 38 -5.747 0.463 -1.078 269 HG LEU 38 HG LEU 38 -6.757 2.499 -0.730 270 1HD1 LEU 38 1HD1 LEU 38 -9.376 1.242 -1.185 271 2HD1 LEU 38 2HD1 LEU 38 -8.540 2.456 -2.095 272 3HD1 LEU 38 3HD1 LEU 38 -8.066 0.738 -2.256 273 1HD2 LEU 38 1HD2 LEU 38 -8.691 3.145 0.413 274 2HD2 LEU 38 2HD2 LEU 38 -8.821 1.575 1.183 275 3HD2 LEU 38 3HD2 LEU 38 -7.402 2.636 1.471 276 H VAL 39 H VAL 39 -9.174 -0.952 -1.029 277 HA VAL 39 HA VAL 39 -10.840 0.035 1.082 278 HB VAL 39 HB VAL 39 -10.849 -0.268 -1.649 279 1HG1 VAL 39 1HG1 VAL 39 -11.978 -2.461 -1.746 280 2HG1 VAL 39 2HG1 VAL 39 -13.287 -1.844 -0.791 281 3HG1 VAL 39 3HG1 VAL 39 -12.948 -1.193 -2.424 282 1HG2 VAL 39 1HG2 VAL 39 -12.849 1.094 -1.647 283 2HG2 VAL 39 2HG2 VAL 39 -13.321 0.476 -0.035 284 3HG2 VAL 39 3HG2 VAL 39 -11.898 1.494 -0.208 285 H SER 40 H SER 40 -10.398 -3.052 -0.468 286 HA SER 40 HA SER 40 -11.896 -4.754 1.211 287 1HB SER 40 1HB SER 40 -9.747 -4.837 -0.923 288 2HB SER 40 2HB SER 40 -9.965 -6.216 0.045 289 HG SER 40 HG SER 40 -11.697 -5.156 -1.886 290 H ALA 41 H ALA 41 -8.351 -3.718 1.220 291 HA ALA 41 HA ALA 41 -7.947 -5.310 3.600 292 1HB ALA 41 1HB ALA 41 -5.684 -4.310 3.587 293 2HB ALA 41 2HB ALA 41 -6.157 -4.922 1.991 294 3HB ALA 41 3HB ALA 41 -6.187 -3.199 2.293 295 H GLY 42 H GLY 42 -9.162 -2.021 3.219 296 1HA GLY 42 1HA GLY 42 -10.525 -1.176 4.960 297 2HA GLY 42 2HA GLY 42 -9.642 -2.155 6.141 298 H ILE 43 H ILE 43 -7.957 -0.366 3.723 299 HA ILE 43 HA ILE 43 -6.487 1.279 5.625 300 HB ILE 43 HB ILE 43 -6.659 0.933 2.631 301 1HG1 ILE 43 1HG1 ILE 43 -4.620 -0.104 2.467 302 2HG1 ILE 43 2HG1 ILE 43 -4.031 0.465 3.997 303 1HG2 ILE 43 1HG2 ILE 43 -5.983 3.333 3.070 304 2HG2 ILE 43 2HG2 ILE 43 -4.650 2.755 4.073 305 3HG2 ILE 43 3HG2 ILE 43 -4.669 2.426 2.325 306 1HD1 ILE 43 1HD1 ILE 43 -6.221 -1.579 3.655 307 2HD1 ILE 43 2HD1 ILE 43 -4.519 -1.965 3.957 308 3HD1 ILE 43 3HD1 ILE 43 -5.478 -1.119 5.194 309 H SER 44 H SER 44 -9.037 1.746 3.024 310 HA SER 44 HA SER 44 -10.404 3.670 4.724 311 1HB SER 44 1HB SER 44 -9.185 4.558 2.094 312 2HB SER 44 2HB SER 44 -10.661 5.258 2.762 313 HG SER 44 HG SER 44 -8.031 5.419 3.594 314 HA PRO 45 HA PRO 45 -12.834 0.679 2.342 315 1HB PRO 45 1HB PRO 45 -14.934 0.349 4.021 316 2HB PRO 45 2HB PRO 45 -13.297 -0.299 4.381 317 1HG PRO 45 1HG PRO 45 -14.581 2.238 5.429 318 2HG PRO 45 2HG PRO 45 -13.692 0.985 6.349 319 1HD PRO 45 1HD PRO 45 -12.545 3.337 5.425 320 2HD PRO 45 2HD PRO 45 -11.613 1.827 5.642 321 H SER 46 H SER 46 -13.617 3.918 3.046 322 HA SER 46 HA SER 46 -16.397 3.806 2.019 323 1HB SER 46 1HB SER 46 -16.085 5.207 3.926 324 2HB SER 46 2HB SER 46 -14.756 6.045 3.118 325 HG SER 46 HG SER 46 -17.012 6.987 3.109 326 H LYS 47 H LYS 47 -16.368 3.529 -0.194 327 HA LYS 47 HA LYS 47 -14.159 3.553 -1.726 328 1HB LYS 47 1HB LYS 47 -17.069 3.691 -2.427 329 2HB LYS 47 2HB LYS 47 -15.917 3.994 -3.716 330 1HG LYS 47 1HG LYS 47 -16.472 1.678 -3.754 331 2HG LYS 47 2HG LYS 47 -14.781 1.867 -3.312 332 1HD LYS 47 1HD LYS 47 -15.345 1.383 -0.943 333 2HD LYS 47 2HD LYS 47 -17.060 1.196 -1.385 334 1HE LYS 47 1HE LYS 47 -16.450 -0.651 -2.935 335 2HE LYS 47 2HE LYS 47 -14.754 -0.408 -2.579 336 1HZ LYS 47 1HZ LYS 47 -15.530 -2.248 -1.407 337 2HZ LYS 47 2HZ LYS 47 -15.215 -1.135 -0.261 338 3HZ LYS 47 3HZ LYS 47 -16.773 -1.455 -0.684 339 H ARG 48 H ARG 48 -16.028 6.600 -1.321 340 HA ARG 48 HA ARG 48 -14.417 8.008 -3.307 341 1HB ARG 48 1HB ARG 48 -16.692 8.712 -2.382 342 2HB ARG 48 2HB ARG 48 -15.873 9.237 -0.918 343 1HG ARG 48 1HG ARG 48 -15.396 10.321 -3.744 344 2HG ARG 48 2HG ARG 48 -16.423 11.041 -2.512 345 1HD ARG 48 1HD ARG 48 -14.089 10.978 -1.122 346 2HD ARG 48 2HD ARG 48 -13.448 11.076 -2.768 347 HE ARG 48 HE ARG 48 -15.585 12.974 -2.088 348 1HH1 ARG 48 2HH2 ARG 48 -12.080 12.620 -2.678 349 2HH1 ARG 48 1HH2 ARG 48 -11.631 14.134 -2.215 350 1HH2 ARG 48 2HH1 ARG 48 -15.042 15.229 -1.683 351 2HH2 ARG 48 1HH1 ARG 48 -13.378 15.699 -1.754 352 H GLN 49 H GLN 49 -14.158 7.481 0.230 353 HA GLN 49 HA GLN 49 -11.929 9.242 0.664 354 1HB GLN 49 1HB GLN 49 -13.634 7.777 2.279 355 2HB GLN 49 2HB GLN 49 -12.205 6.763 2.335 356 1HG GLN 49 1HG GLN 49 -12.270 9.730 3.049 357 2HG GLN 49 2HG GLN 49 -12.470 8.400 4.182 358 1HE2 GLN 49 1HE2 GLN 49 -9.875 8.830 1.527 359 2HE2 GLN 49 2HE2 GLN 49 -8.619 8.619 2.679 360 H ALA 50 H ALA 50 -12.346 5.741 0.086 361 HA ALA 50 HA ALA 50 -9.776 4.881 -0.042 362 1HB ALA 50 1HB ALA 50 -11.766 3.947 -2.151 363 2HB ALA 50 2HB ALA 50 -10.584 3.034 -1.263 364 3HB ALA 50 3HB ALA 50 -12.042 3.616 -0.428 365 H ARG 51 H ARG 51 -11.717 6.246 -2.709 366 HA ARG 51 HA ARG 51 -9.651 6.015 -4.607 367 1HB ARG 51 1HB ARG 51 -12.278 7.548 -4.499 368 2HB ARG 51 2HB ARG 51 -11.133 7.873 -5.824 369 1HG ARG 51 1HG ARG 51 -11.069 5.663 -6.532 370 2HG ARG 51 2HG ARG 51 -11.794 5.029 -5.044 371 1HD ARG 51 1HD ARG 51 -13.976 5.829 -5.714 372 2HD ARG 51 2HD ARG 51 -13.297 6.513 -7.206 373 HE ARG 51 HE ARG 51 -13.543 3.635 -6.465 374 1HH1 ARG 51 2HH2 ARG 51 -12.353 5.924 -8.997 375 2HH1 ARG 51 1HH2 ARG 51 -11.596 4.611 -9.858 376 1HH2 ARG 51 2HH1 ARG 51 -12.544 2.065 -7.661 377 2HH2 ARG 51 1HH1 ARG 51 -11.769 2.470 -9.190 378 H GLU 52 H GLU 52 -10.323 8.695 -2.366 379 HA GLU 52 HA GLU 52 -7.946 9.949 -3.649 380 1HB GLU 52 1HB GLU 52 -9.929 11.032 -1.937 381 2HB GLU 52 2HB GLU 52 -8.418 11.166 -1.062 382 1HG GLU 52 1HG GLU 52 -7.627 12.829 -2.432 383 2HG GLU 52 2HG GLU 52 -7.954 11.936 -3.872 384 H ASP 53 H ASP 53 -8.460 7.719 -1.053 385 HA ASP 53 HA ASP 53 -5.846 8.056 0.065 386 1HB ASP 53 1HB ASP 53 -8.176 6.322 0.527 387 2HB ASP 53 2HB ASP 53 -6.719 5.360 0.435 388 H ILE 54 H ILE 54 -6.970 6.568 -2.795 389 HA ILE 54 HA ILE 54 -4.286 5.566 -3.182 390 HB ILE 54 HB ILE 54 -6.883 4.855 -4.342 391 1HG1 ILE 54 1HG1 ILE 54 -5.428 2.865 -4.965 392 2HG1 ILE 54 2HG1 ILE 54 -4.055 3.721 -4.230 393 1HG2 ILE 54 1HG2 ILE 54 -6.020 4.349 -6.677 394 2HG2 ILE 54 2HG2 ILE 54 -6.410 6.011 -6.346 395 3HG2 ILE 54 3HG2 ILE 54 -4.718 5.492 -6.381 396 1HD1 ILE 54 1HD1 ILE 54 -6.649 3.154 -2.830 397 2HD1 ILE 54 2HD1 ILE 54 -5.215 2.099 -2.717 398 3HD1 ILE 54 3HD1 ILE 54 -5.159 3.750 -2.082 399 H GLN 55 H GLN 55 -6.488 8.097 -4.567 400 HA GLN 55 HA GLN 55 -4.656 8.618 -6.656 401 1HB GLN 55 1HB GLN 55 -7.024 10.118 -5.512 402 2HB GLN 55 2HB GLN 55 -6.122 10.726 -6.885 403 1HG GLN 55 1HG GLN 55 -6.704 8.961 -8.301 404 2HG GLN 55 2HG GLN 55 -7.129 7.885 -6.982 405 1HE2 GLN 55 1HE2 GLN 55 -8.784 8.264 -9.228 406 2HE2 GLN 55 2HE2 GLN 55 -10.271 9.000 -8.620 407 H ASN 56 H ASN 56 -4.495 9.453 -3.333 408 HA ASN 56 HA ASN 56 -2.844 11.793 -3.977 409 1HB ASN 56 1HB ASN 56 -3.481 10.366 -1.321 410 2HB ASN 56 2HB ASN 56 -2.456 11.799 -1.410 411 1HD2 ASN 56 1HD2 ASN 56 -4.621 12.989 -3.494 412 2HD2 ASN 56 2HD2 ASN 56 -5.813 13.525 -2.338 413 H GLY 57 H GLY 57 -0.779 11.939 -4.034 414 1HA GLY 57 1HA GLY 57 0.903 9.590 -4.003 415 2HA GLY 57 2HA GLY 57 1.414 11.282 -4.142 416 H ALA 58 H ALA 58 -0.577 10.423 -1.430 417 HA ALA 58 HA ALA 58 1.811 10.271 0.356 418 1HB ALA 58 1HB ALA 58 -1.042 10.968 1.009 419 2HB ALA 58 2HB ALA 58 0.232 10.632 2.217 420 3HB ALA 58 3HB ALA 58 0.394 12.012 1.137 421 H ILE 59 H ILE 59 -0.343 8.236 -1.429 422 HA ILE 59 HA ILE 59 0.129 5.978 0.483 423 HB ILE 59 HB ILE 59 -2.017 6.149 -0.270 424 1HG1 ILE 59 1HG1 ILE 59 -1.279 4.026 0.185 425 2HG1 ILE 59 2HG1 ILE 59 -2.442 3.998 -1.138 426 1HG2 ILE 59 1HG2 ILE 59 -0.884 6.637 -2.976 427 2HG2 ILE 59 2HG2 ILE 59 -2.182 5.458 -2.955 428 3HG2 ILE 59 3HG2 ILE 59 -2.464 7.056 -2.276 429 1HD1 ILE 59 1HD1 ILE 59 0.543 3.550 -1.259 430 2HD1 ILE 59 2HD1 ILE 59 -0.783 2.520 -1.862 431 3HD1 ILE 59 3HD1 ILE 59 -0.370 4.003 -2.722 432 H TYR 60 H TYR 60 2.253 6.270 0.604 433 HA TYR 60 HA TYR 60 3.891 5.816 -1.710 434 1HB TYR 60 1HB TYR 60 4.777 5.575 1.163 435 2HB TYR 60 2HB TYR 60 5.694 5.948 -0.250 436 HD1 TYR 60 1HD TYR 60 5.864 8.221 -1.126 437 HD2 TYR 60 2HD TYR 60 3.490 7.328 2.356 438 HE1 TYR 60 1HE TYR 60 5.709 10.617 -0.634 439 HE2 TYR 60 2HE TYR 60 3.381 9.718 2.915 440 HH TYR 60 HH TYR 60 4.300 11.787 2.460 441 H VAL 61 H VAL 61 3.827 3.854 -2.564 442 HA VAL 61 HA VAL 61 2.704 1.595 -0.937 443 HB VAL 61 HB VAL 61 1.877 1.964 -3.326 444 1HG1 VAL 61 1HG1 VAL 61 4.205 2.603 -4.216 445 2HG1 VAL 61 2HG1 VAL 61 4.618 0.895 -4.162 446 3HG1 VAL 61 3HG1 VAL 61 3.306 1.457 -5.196 447 1HG2 VAL 61 1HG2 VAL 61 1.725 -0.266 -2.271 448 2HG2 VAL 61 2HG2 VAL 61 2.055 -0.397 -3.990 449 3HG2 VAL 61 3HG2 VAL 61 3.364 -0.646 -2.818 450 H ASN 62 H ASN 62 4.302 0.191 -0.188 451 HA ASN 62 HA ASN 62 6.278 -0.929 0.126 452 1HB ASN 62 1HB ASN 62 6.593 0.157 -2.626 453 2HB ASN 62 2HB ASN 62 8.090 -0.200 -1.808 454 1HD2 ASN 62 1HD2 ASN 62 7.637 -1.260 -3.949 455 2HD2 ASN 62 2HD2 ASN 62 7.200 -2.984 -3.810 456 H GLY 63 H GLY 63 6.852 2.192 -0.967 457 1HA GLY 63 1HA GLY 63 7.367 3.691 1.311 458 2HA GLY 63 2HA GLY 63 8.954 3.128 0.757 459 H GLU 64 H GLU 64 6.732 3.517 -1.959 460 HA GLU 64 HA GLU 64 8.057 6.038 -2.678 461 1HB GLU 64 1HB GLU 64 8.168 5.155 -4.960 462 2HB GLU 64 2HB GLU 64 9.257 4.375 -3.858 463 1HG GLU 64 1HG GLU 64 6.595 3.062 -4.546 464 2HG GLU 64 2HG GLU 64 7.910 3.049 -5.696 465 H ARG 65 H ARG 65 6.691 7.513 -3.496 466 HA ARG 65 HA ARG 65 3.880 7.350 -3.029 467 1HB ARG 65 1HB ARG 65 4.898 9.452 -2.794 468 2HB ARG 65 2HB ARG 65 5.878 9.286 -4.229 469 1HG ARG 65 1HG ARG 65 2.971 9.401 -4.782 470 2HG ARG 65 2HG ARG 65 3.622 10.828 -3.969 471 1HD ARG 65 1HD ARG 65 5.237 11.287 -5.632 472 2HD ARG 65 2HD ARG 65 5.029 9.705 -6.379 473 HE ARG 65 HE ARG 65 2.728 11.580 -6.345 474 1HH1 ARG 65 2HH2 ARG 65 5.315 10.073 -8.338 475 2HH1 ARG 65 1HH2 ARG 65 4.336 10.097 -9.770 476 1HH2 ARG 65 2HH1 ARG 65 1.622 11.776 -8.192 477 2HH2 ARG 65 1HH1 ARG 65 2.229 11.247 -9.747 478 H LEU 66 H LEU 66 2.588 5.905 -4.208 479 HA LEU 66 HA LEU 66 2.675 6.172 -7.170 480 1HB LEU 66 1HB LEU 66 3.047 3.683 -5.625 481 2HB LEU 66 2HB LEU 66 2.450 3.695 -7.281 482 HG LEU 66 HG LEU 66 5.170 4.749 -6.350 483 1HD1 LEU 66 1HD1 LEU 66 5.994 2.873 -7.766 484 2HD1 LEU 66 2HD1 LEU 66 5.142 2.373 -6.313 485 3HD1 LEU 66 3HD1 LEU 66 4.318 2.285 -7.893 486 1HD2 LEU 66 1HD2 LEU 66 3.990 4.593 -9.166 487 2HD2 LEU 66 2HD2 LEU 66 4.490 6.061 -8.319 488 3HD2 LEU 66 3HD2 LEU 66 5.689 4.882 -8.803 489 H GLN 67 H GLN 67 0.647 6.874 -7.530 490 HA GLN 67 HA GLN 67 -1.652 5.901 -5.975 491 1HB GLN 67 1HB GLN 67 -2.460 8.360 -6.445 492 2HB GLN 67 2HB GLN 67 -1.288 8.113 -5.162 493 1HG GLN 67 1HG GLN 67 -1.222 10.122 -6.617 494 2HG GLN 67 2HG GLN 67 0.250 9.370 -6.155 495 1HE2 GLN 67 1HE2 GLN 67 1.617 8.535 -8.028 496 2HE2 GLN 67 2HE2 GLN 67 0.995 8.551 -9.670 497 H ASP 68 H ASP 68 -0.602 4.952 -8.628 498 HA ASP 68 HA ASP 68 -2.908 5.641 -10.361 499 1HB ASP 68 1HB ASP 68 -0.857 6.706 -11.105 500 2HB ASP 68 2HB ASP 68 -0.001 5.165 -11.079 501 H VAL 69 H VAL 69 -3.852 3.903 -11.419 502 HA VAL 69 HA VAL 69 -3.721 1.301 -10.229 503 HB VAL 69 HB VAL 69 -5.668 2.482 -11.313 504 1HG1 VAL 69 1HG1 VAL 69 -4.581 3.276 -13.413 505 2HG1 VAL 69 2HG1 VAL 69 -4.472 1.595 -13.967 506 3HG1 VAL 69 3HG1 VAL 69 -6.047 2.330 -13.705 507 1HG2 VAL 69 1HG2 VAL 69 -5.685 0.052 -10.788 508 2HG2 VAL 69 2HG2 VAL 69 -6.721 0.489 -12.162 509 3HG2 VAL 69 3HG2 VAL 69 -5.144 -0.253 -12.456 510 H GLY 70 H GLY 70 -2.325 2.646 -13.223 511 1HA GLY 70 1HA GLY 70 -1.098 0.142 -13.967 512 2HA GLY 70 2HA GLY 70 -0.690 1.755 -14.586 513 H ALA 71 H ALA 71 -0.379 2.142 -11.414 514 HA ALA 71 HA ALA 71 2.524 1.536 -11.437 515 1HB ALA 71 1HB ALA 71 2.723 2.821 -9.444 516 2HB ALA 71 2HB ALA 71 1.923 3.809 -10.678 517 3HB ALA 71 3HB ALA 71 0.984 3.099 -9.332 518 H ILE 72 H ILE 72 -0.554 0.848 -9.431 519 HA ILE 72 HA ILE 72 0.817 -1.655 -8.723 520 HB ILE 72 HB ILE 72 -0.784 -0.194 -6.751 521 1HG1 ILE 72 1HG1 ILE 72 2.065 0.053 -6.255 522 2HG1 ILE 72 2HG1 ILE 72 1.693 0.972 -7.636 523 1HG2 ILE 72 1HG2 ILE 72 -0.151 -2.628 -6.431 524 2HG2 ILE 72 2HG2 ILE 72 1.540 -2.206 -6.663 525 3HG2 ILE 72 3HG2 ILE 72 0.674 -1.636 -5.229 526 1HD1 ILE 72 1HD1 ILE 72 0.104 1.221 -5.064 527 2HD1 ILE 72 2HD1 ILE 72 1.365 2.330 -5.610 528 3HD1 ILE 72 3HD1 ILE 72 -0.094 2.173 -6.569 529 H LEU 73 H LEU 73 -0.436 -3.446 -9.051 530 HA LEU 73 HA LEU 73 -3.292 -3.255 -8.556 531 1HB LEU 73 1HB LEU 73 -1.903 -5.045 -10.556 532 2HB LEU 73 2HB LEU 73 -3.574 -5.164 -10.027 533 HG LEU 73 HG LEU 73 -2.422 -2.696 -11.388 534 1HD1 LEU 73 1HD1 LEU 73 -3.614 -3.348 -13.363 535 2HD1 LEU 73 2HD1 LEU 73 -2.605 -4.715 -12.913 536 3HD1 LEU 73 3HD1 LEU 73 -4.326 -4.761 -12.537 537 1HD2 LEU 73 1HD2 LEU 73 -4.892 -2.229 -11.735 538 2HD2 LEU 73 2HD2 LEU 73 -5.197 -3.427 -10.493 539 3HD2 LEU 73 3HD2 LEU 73 -4.221 -1.954 -10.123 540 H THR 74 H THR 74 -1.214 -6.194 -8.943 541 HA THR 74 HA THR 74 -1.523 -6.679 -6.071 542 HB THR 74 HB THR 74 -0.803 -9.040 -7.128 543 HG1 THR 74 1HG THR 74 -0.887 -9.132 -9.232 544 1HG2 THR 74 1HG2 THR 74 -3.511 -7.714 -7.532 545 2HG2 THR 74 2HG2 THR 74 -3.167 -9.469 -7.456 546 3HG2 THR 74 3HG2 THR 74 -2.942 -8.444 -6.045 547 H ALA 75 H ALA 75 0.220 -8.411 -5.369 548 HA ALA 75 HA ALA 75 2.563 -7.034 -4.910 549 1HB ALA 75 1HB ALA 75 2.040 -10.040 -4.910 550 2HB ALA 75 2HB ALA 75 3.436 -9.276 -4.157 551 3HB ALA 75 3HB ALA 75 1.798 -8.946 -3.537 552 H GLU 76 H GLU 76 2.144 -9.434 -7.584 553 HA GLU 76 HA GLU 76 4.950 -8.987 -8.316 554 1HB GLU 76 1HB GLU 76 3.698 -11.157 -8.525 555 2HB GLU 76 2HB GLU 76 2.774 -10.453 -9.846 556 1HG GLU 76 1HG GLU 76 4.721 -10.411 -11.256 557 2HG GLU 76 2HG GLU 76 5.806 -10.630 -9.875 558 H HIS 77 H HIS 77 2.186 -7.169 -8.641 559 HA HIS 77 HA HIS 77 2.999 -5.913 -11.201 560 1HB HIS 77 1HB HIS 77 0.584 -6.228 -10.506 561 2HB HIS 77 2HB HIS 77 0.883 -5.081 -9.210 562 HD1 HIS 77 1HD HIS 77 1.940 -2.593 -10.173 563 HD2 HIS 77 2HD HIS 77 -0.539 -5.066 -12.480 564 HE1 HIS 77 1HE HIS 77 0.512 -1.065 -11.515 565 H ARG 78 H ARG 78 3.927 -5.973 -7.831 566 HA ARG 78 HA ARG 78 4.840 -3.185 -8.053 567 1HB ARG 78 1HB ARG 78 2.987 -3.814 -6.414 568 2HB ARG 78 2HB ARG 78 4.243 -4.500 -5.423 569 1HG ARG 78 1HG ARG 78 3.460 -2.121 -4.938 570 2HG ARG 78 2HG ARG 78 5.183 -2.352 -4.968 571 1HD ARG 78 1HD ARG 78 3.646 -1.301 -7.376 572 2HD ARG 78 2HD ARG 78 4.219 -0.256 -6.085 573 HE ARG 78 HE ARG 78 6.536 -1.010 -6.590 574 1HH1 ARG 78 2HH2 ARG 78 4.071 -0.806 -9.235 575 2HH1 ARG 78 1HH2 ARG 78 5.267 -0.578 -10.424 576 1HH2 ARG 78 2HH1 ARG 78 8.036 -0.743 -8.265 577 2HH2 ARG 78 1HH1 ARG 78 7.542 -0.753 -9.921 578 H LEU 79 H LEU 79 5.696 -6.094 -6.021 579 HA LEU 79 HA LEU 79 8.534 -5.604 -6.322 580 1HB LEU 79 1HB LEU 79 7.758 -7.896 -4.711 581 2HB LEU 79 2HB LEU 79 8.608 -6.433 -4.273 582 HG LEU 79 HG LEU 79 5.612 -6.803 -4.195 583 1HD1 LEU 79 1HD1 LEU 79 7.858 -6.904 -2.074 584 2HD1 LEU 79 2HD1 LEU 79 6.155 -6.817 -1.644 585 3HD1 LEU 79 3HD1 LEU 79 6.782 -8.229 -2.529 586 1HD2 LEU 79 1HD2 LEU 79 6.383 -4.390 -4.348 587 2HD2 LEU 79 2HD2 LEU 79 5.557 -4.789 -2.861 588 3HD2 LEU 79 3HD2 LEU 79 7.327 -4.669 -2.863 589 H GLU 80 H GLU 80 9.497 -8.055 -6.136 590 HA GLU 80 HA GLU 80 9.318 -9.481 -8.517 591 1HB GLU 80 1HB GLU 80 10.622 -11.119 -7.359 592 2HB GLU 80 2HB GLU 80 11.014 -9.581 -6.581 593 1HG GLU 80 1HG GLU 80 9.055 -10.212 -4.921 594 2HG GLU 80 2HG GLU 80 9.258 -11.842 -5.573 595 H GLY 81 H GLY 81 6.726 -9.307 -6.333 596 1HA GLY 81 1HA GLY 81 4.695 -10.422 -6.549 597 2HA GLY 81 2HA GLY 81 5.511 -11.734 -7.392 598 H ARG 82 H ARG 82 5.251 -10.148 -4.200 599 HA ARG 82 HA ARG 82 4.827 -12.813 -2.999 600 1HB ARG 82 1HB ARG 82 6.922 -10.939 -1.825 601 2HB ARG 82 2HB ARG 82 6.371 -12.495 -1.174 602 1HG ARG 82 1HG ARG 82 7.279 -13.611 -3.251 603 2HG ARG 82 2HG ARG 82 7.920 -12.035 -3.736 604 1HD ARG 82 1HD ARG 82 9.725 -13.155 -2.732 605 2HD ARG 82 2HD ARG 82 9.180 -11.981 -1.516 606 HE ARG 82 HE ARG 82 7.750 -14.327 -1.007 607 1HH1 ARG 82 2HH2 ARG 82 11.171 -13.416 -0.961 608 2HH1 ARG 82 1HH2 ARG 82 11.680 -14.980 -0.393 609 1HH2 ARG 82 2HH1 ARG 82 8.302 -16.040 0.140 610 2HH2 ARG 82 1HH1 ARG 82 9.937 -16.460 0.575 611 H PHE 83 H PHE 83 5.292 -9.384 -1.944 612 HA PHE 83 HA PHE 83 2.606 -9.406 -0.679 613 1HB PHE 83 1HB PHE 83 5.235 -8.489 0.568 614 2HB PHE 83 2HB PHE 83 3.642 -8.231 1.268 615 HD1 PHE 83 1HD PHE 83 2.580 -9.909 2.612 616 HD2 PHE 83 2HD PHE 83 6.149 -10.835 0.388 617 HE1 PHE 83 1HE PHE 83 2.804 -12.096 3.813 618 HE2 PHE 83 2HE PHE 83 6.193 -13.102 1.422 619 HZ PHE 83 HZ PHE 83 4.578 -13.674 3.196 620 H THR 84 H THR 84 2.514 -6.817 0.184 621 HA THR 84 HA THR 84 4.121 -4.975 -1.324 622 HB THR 84 HB THR 84 1.228 -5.441 -2.040 623 HG1 THR 84 1HG THR 84 3.168 -6.029 -3.223 624 1HG2 THR 84 1HG2 THR 84 1.145 -3.064 -1.363 625 2HG2 THR 84 2HG2 THR 84 2.626 -2.752 -2.305 626 3HG2 THR 84 3HG2 THR 84 1.118 -3.209 -3.127 627 H VAL 85 H VAL 85 3.890 -2.811 -0.272 628 HA VAL 85 HA VAL 85 2.498 -2.913 2.351 629 HB VAL 85 HB VAL 85 5.101 -1.509 1.682 630 1HG1 VAL 85 1HG1 VAL 85 3.708 -1.913 4.348 631 2HG1 VAL 85 2HG1 VAL 85 5.318 -1.195 4.103 632 3HG1 VAL 85 3HG1 VAL 85 3.897 -0.373 3.472 633 1HG2 VAL 85 1HG2 VAL 85 4.712 -4.045 3.306 634 2HG2 VAL 85 2HG2 VAL 85 5.466 -3.963 1.695 635 3HG2 VAL 85 3HG2 VAL 85 6.237 -3.157 3.043 636 H ILE 86 H ILE 86 1.501 -0.936 2.916 637 HA ILE 86 HA ILE 86 1.114 1.063 0.716 638 HB ILE 86 HB ILE 86 -0.750 -0.434 2.561 639 1HG1 ILE 86 1HG1 ILE 86 -0.134 -1.630 0.407 640 2HG1 ILE 86 2HG1 ILE 86 -1.850 -1.258 0.459 641 1HG2 ILE 86 1HG2 ILE 86 -1.361 1.955 0.765 642 2HG2 ILE 86 2HG2 ILE 86 -2.646 0.862 1.311 643 3HG2 ILE 86 3HG2 ILE 86 -1.720 1.794 2.485 644 1HD1 ILE 86 1HD1 ILE 86 0.142 0.551 -1.000 645 2HD1 ILE 86 2HD1 ILE 86 -0.689 -0.793 -1.777 646 3HD1 ILE 86 3HD1 ILE 86 -1.615 0.563 -1.111 647 H ARG 87 H ARG 87 2.130 2.880 1.560 648 HA ARG 87 HA ARG 87 1.742 3.308 4.479 649 1HB ARG 87 1HB ARG 87 3.816 4.658 2.733 650 2HB ARG 87 2HB ARG 87 3.717 4.649 4.463 651 1HG ARG 87 1HG ARG 87 4.228 2.111 4.313 652 2HG ARG 87 2HG ARG 87 4.561 2.390 2.595 653 1HD ARG 87 1HD ARG 87 6.152 4.244 3.333 654 2HD ARG 87 2HD ARG 87 5.927 3.658 4.992 655 HE ARG 87 HE ARG 87 6.867 1.765 2.881 656 1HH1 ARG 87 2HH2 ARG 87 7.804 3.705 5.731 657 2HH1 ARG 87 1HH2 ARG 87 9.247 2.766 5.994 658 1HH2 ARG 87 2HH1 ARG 87 8.852 0.807 3.081 659 2HH2 ARG 87 1HH1 ARG 87 9.859 1.167 4.489 660 H ARG 88 H ARG 88 -0.402 4.032 4.069 661 HA ARG 88 HA ARG 88 -0.687 6.441 2.377 662 1HB ARG 88 1HB ARG 88 -2.622 4.962 2.406 663 2HB ARG 88 2HB ARG 88 -2.628 4.938 4.151 664 1HG ARG 88 1HG ARG 88 -4.358 6.459 3.509 665 2HG ARG 88 2HG ARG 88 -3.094 7.422 4.188 666 1HD ARG 88 1HD ARG 88 -2.527 7.320 1.405 667 2HD ARG 88 2HD ARG 88 -4.256 7.492 1.502 668 HE ARG 88 HE ARG 88 -2.169 9.370 2.497 669 1HH1 ARG 88 2HH2 ARG 88 -5.670 9.072 1.644 670 2HH1 ARG 88 1HH2 ARG 88 -5.617 10.637 0.865 671 1HH2 ARG 88 2HH1 ARG 88 -2.564 11.637 2.230 672 2HH2 ARG 88 1HH1 ARG 88 -3.954 12.081 1.299 673 H GLY 89 H GLY 89 0.271 8.229 3.278 674 1HA GLY 89 1HA GLY 89 1.101 8.853 5.786 675 2HA GLY 89 2HA GLY 89 0.396 10.055 4.695 676 H LYS 90 H LYS 90 -2.216 9.589 4.625 677 HA LYS 90 HA LYS 90 -3.307 10.431 7.052 678 1HB LYS 90 1HB LYS 90 -4.137 10.652 4.618 679 2HB LYS 90 2HB LYS 90 -4.868 9.066 4.824 680 1HG LYS 90 1HG LYS 90 -5.731 10.657 7.070 681 2HG LYS 90 2HG LYS 90 -5.705 11.732 5.693 682 1HD LYS 90 1HD LYS 90 -7.887 10.804 5.910 683 2HD LYS 90 2HD LYS 90 -7.206 10.165 4.423 684 1HE LYS 90 1HE LYS 90 -6.945 8.542 6.992 685 2HE LYS 90 2HE LYS 90 -8.543 8.712 6.252 686 1HZ LYS 90 1HZ LYS 90 -6.556 6.959 5.444 687 2HZ LYS 90 2HZ LYS 90 -8.104 7.109 4.950 688 3HZ LYS 90 3HZ LYS 90 -6.947 7.928 4.173 689 H LYS 91 H LYS 91 -2.182 7.274 6.757 690 HA LYS 91 HA LYS 91 -3.476 6.795 9.211 691 1HB LYS 91 1HB LYS 91 -5.263 5.777 7.911 692 2HB LYS 91 2HB LYS 91 -4.120 4.782 7.019 693 1HG LYS 91 1HG LYS 91 -5.353 3.526 8.710 694 2HG LYS 91 2HG LYS 91 -3.623 3.462 8.993 695 1HD LYS 91 1HD LYS 91 -4.179 5.428 10.725 696 2HD LYS 91 2HD LYS 91 -5.796 4.729 10.649 697 1HE LYS 91 1HE LYS 91 -3.184 3.278 11.325 698 2HE LYS 91 2HE LYS 91 -4.370 3.810 12.503 699 1HZ LYS 91 1HZ LYS 91 -5.894 2.179 11.684 700 2HZ LYS 91 2HZ LYS 91 -4.928 1.775 10.416 701 3HZ LYS 91 3HZ LYS 91 -4.433 1.471 11.958 702 H LYS 92 H LYS 92 -1.981 4.056 7.283 703 HA LYS 92 HA LYS 92 0.528 4.478 8.559 704 1HB LYS 92 1HB LYS 92 -1.412 3.286 10.128 705 2HB LYS 92 2HB LYS 92 -0.831 1.893 9.248 706 1HG LYS 92 1HG LYS 92 0.434 1.980 11.204 707 2HG LYS 92 2HG LYS 92 1.554 2.589 10.003 708 1HD LYS 92 1HD LYS 92 -0.191 4.428 11.704 709 2HD LYS 92 2HD LYS 92 1.317 3.786 12.315 710 1HE LYS 92 1HE LYS 92 0.980 5.685 9.962 711 2HE LYS 92 2HE LYS 92 1.640 6.039 11.543 712 1HZ LYS 92 1HZ LYS 92 2.920 4.327 9.500 713 2HZ LYS 92 2HZ LYS 92 3.426 5.776 10.088 714 3HZ LYS 92 3HZ LYS 92 3.442 4.442 11.039 715 H TYR 93 H TYR 93 1.157 1.747 8.371 716 HA TYR 93 HA TYR 93 1.761 1.607 5.479 717 1HB TYR 93 1HB TYR 93 3.390 0.370 7.601 718 2HB TYR 93 2HB TYR 93 3.763 0.665 5.912 719 HD1 TYR 93 1HD TYR 93 5.546 1.149 8.292 720 HD2 TYR 93 2HD TYR 93 2.765 3.830 6.357 721 HE1 TYR 93 1HE TYR 93 6.914 3.065 8.981 722 HE2 TYR 93 2HE TYR 93 4.150 5.744 7.018 723 HH TYR 93 HH TYR 93 6.208 6.425 8.013 724 H TYR 94 H TYR 94 -0.301 0.271 5.145 725 HA TYR 94 HA TYR 94 -0.564 -2.112 6.836 726 1HB TYR 94 1HB TYR 94 -2.021 -0.992 4.419 727 2HB TYR 94 2HB TYR 94 -2.431 -2.483 5.173 728 HD1 TYR 94 1HD TYR 94 -2.438 1.174 5.646 729 HD2 TYR 94 2HD TYR 94 -3.543 -2.659 7.306 730 HE1 TYR 94 1HE TYR 94 -4.127 2.278 7.055 731 HE2 TYR 94 2HE TYR 94 -5.177 -1.571 8.763 732 HH TYR 94 HH TYR 94 -6.452 0.403 8.945 733 H LEU 95 H LEU 95 -0.950 -4.161 5.746 734 HA LEU 95 HA LEU 95 1.258 -4.745 3.824 735 1HB LEU 95 1HB LEU 95 1.786 -5.471 6.031 736 2HB LEU 95 2HB LEU 95 0.219 -6.212 6.256 737 HG LEU 95 HG LEU 95 0.766 -8.021 4.714 738 1HD1 LEU 95 1HD1 LEU 95 3.210 -6.341 4.119 739 2HD1 LEU 95 2HD1 LEU 95 3.197 -8.100 3.844 740 3HD1 LEU 95 3HD1 LEU 95 2.080 -7.073 2.971 741 1HD2 LEU 95 1HD2 LEU 95 3.140 -7.469 6.560 742 2HD2 LEU 95 2HD2 LEU 95 1.600 -8.174 7.078 743 3HD2 LEU 95 3HD2 LEU 95 2.628 -9.053 5.943 744 H ILE 96 H ILE 96 0.746 -5.927 2.097 745 HA ILE 96 HA ILE 96 -2.039 -6.962 1.788 746 HB ILE 96 HB ILE 96 -0.301 -5.428 -0.185 747 1HG1 ILE 96 1HG1 ILE 96 -1.197 -3.873 1.499 748 2HG1 ILE 96 2HG1 ILE 96 -1.847 -3.582 -0.084 749 1HG2 ILE 96 1HG2 ILE 96 -1.640 -7.084 -1.368 750 2HG2 ILE 96 2HG2 ILE 96 -3.120 -6.497 -0.596 751 3HG2 ILE 96 3HG2 ILE 96 -2.206 -5.466 -1.728 752 1HD1 ILE 96 1HD1 ILE 96 -3.985 -4.701 0.575 753 2HD1 ILE 96 2HD1 ILE 96 -3.303 -5.005 2.185 754 3HD1 ILE 96 3HD1 ILE 96 -3.568 -3.345 1.633 755 H ARG 97 H ARG 97 -1.999 -9.123 1.182 756 HA ARG 97 HA ARG 97 0.120 -9.961 -0.688 757 1HB ARG 97 1HB ARG 97 -0.112 -12.207 0.594 758 2HB ARG 97 2HB ARG 97 0.972 -10.955 1.187 759 1HG ARG 97 1HG ARG 97 -0.425 -10.453 3.026 760 2HG ARG 97 2HG ARG 97 -1.817 -11.268 2.301 761 1HD ARG 97 1HD ARG 97 -0.795 -13.450 2.573 762 2HD ARG 97 2HD ARG 97 0.706 -12.739 3.144 763 HE ARG 97 HE ARG 97 -1.764 -13.200 4.631 764 1HH1 ARG 97 2HH2 ARG 97 1.222 -11.343 4.641 765 2HH1 ARG 97 1HH2 ARG 97 1.530 -11.496 6.325 766 1HH2 ARG 97 2HH1 ARG 97 -1.661 -13.099 6.859 767 2HH2 ARG 97 1HH1 ARG 97 -0.254 -12.470 7.681 768 H TYR 98 H TYR 98 -0.512 -12.225 -1.627 769 HA TYR 98 HA TYR 98 -3.367 -12.513 -1.836 770 1HB TYR 98 1HB TYR 98 -2.642 -13.703 -4.026 771 2HB TYR 98 2HB TYR 98 -3.011 -11.993 -4.022 772 HD1 TYR 98 1HD TYR 98 -1.941 -11.544 -6.073 773 HD2 TYR 98 2HD TYR 98 0.333 -13.455 -2.902 774 HE1 TYR 98 1HE TYR 98 0.101 -11.361 -7.403 775 HE2 TYR 98 2HE TYR 98 2.370 -13.208 -4.215 776 HH TYR 98 HH TYR 98 2.251 -12.347 -7.602 777 H ALA 99 H ALA 99 -3.993 -14.703 -2.186 778 HA ALA 99 HA ALA 99 -2.220 -16.764 -1.276 779 1HB ALA 99 1HB ALA 99 -5.112 -16.253 -0.454 780 2HB ALA 99 2HB ALA 99 -4.226 -17.747 -0.088 781 3HB ALA 99 3HB ALA 99 -3.683 -16.207 0.605 Start of MODEL 17 1 1H ALA 1 1H ALA 1 14.596 -16.271 0.132 2 2H ALA 1 2H ALA 1 13.750 -15.532 1.349 3 3H ALA 1 3H ALA 1 13.059 -16.758 0.496 4 HA ALA 1 HA ALA 1 13.116 -15.446 -1.507 5 1HB ALA 1 1HB ALA 1 11.404 -13.808 -0.873 6 2HB ALA 1 2HB ALA 1 11.071 -15.409 -0.203 7 3HB ALA 1 3HB ALA 1 11.717 -14.121 0.845 8 H LEU 2 H LEU 2 14.827 -14.365 -2.449 9 HA LEU 2 HA LEU 2 15.118 -11.606 -1.679 10 1HB LEU 2 1HB LEU 2 16.830 -12.987 -0.250 11 2HB LEU 2 2HB LEU 2 17.707 -13.202 -1.747 12 HG LEU 2 HG LEU 2 16.978 -10.564 -0.398 13 1HD1 LEU 2 1HD1 LEU 2 18.742 -11.879 0.737 14 2HD1 LEU 2 2HD1 LEU 2 19.671 -11.942 -0.776 15 3HD1 LEU 2 3HD1 LEU 2 19.391 -10.388 0.043 16 1HD2 LEU 2 1HD2 LEU 2 17.057 -10.091 -2.780 17 2HD2 LEU 2 2HD2 LEU 2 18.528 -9.482 -2.036 18 3HD2 LEU 2 3HD2 LEU 2 18.578 -11.006 -2.955 19 H PHE 3 H PHE 3 14.335 -11.128 -3.718 20 HA PHE 3 HA PHE 3 16.145 -11.848 -5.971 21 1HB PHE 3 1HB PHE 3 13.740 -12.667 -6.193 22 2HB PHE 3 2HB PHE 3 13.263 -10.973 -6.283 23 HD1 PHE 3 1HD PHE 3 12.724 -10.408 -8.526 24 HD2 PHE 3 2HD PHE 3 16.027 -13.099 -7.812 25 HE1 PHE 3 1HE PHE 3 13.182 -10.506 -10.948 26 HE2 PHE 3 2HE PHE 3 16.531 -13.104 -10.227 27 HZ PHE 3 HZ PHE 3 15.115 -11.781 -11.804 28 H SER 4 H SER 4 16.508 -9.978 -7.481 29 HA SER 4 HA SER 4 16.855 -7.546 -5.801 30 1HB SER 4 1HB SER 4 19.093 -7.499 -6.996 31 2HB SER 4 2HB SER 4 18.857 -8.842 -5.866 32 HG SER 4 HG SER 4 19.693 -9.207 -8.162 33 H GLY 5 H GLY 5 17.629 -5.642 -7.088 34 1HA GLY 5 1HA GLY 5 17.623 -4.247 -8.972 35 2HA GLY 5 2HA GLY 5 16.495 -5.325 -9.812 36 H ASP 6 H ASP 6 14.522 -5.765 -7.949 37 HA ASP 6 HA ASP 6 13.226 -3.157 -7.782 38 1HB ASP 6 1HB ASP 6 12.198 -5.838 -6.806 39 2HB ASP 6 2HB ASP 6 11.278 -4.355 -6.926 40 H ILE 7 H ILE 7 11.843 -3.248 -5.623 41 HA ILE 7 HA ILE 7 13.228 -2.327 -3.347 42 HB ILE 7 HB ILE 7 10.768 -2.726 -2.451 43 1HG1 ILE 7 1HG1 ILE 7 9.055 -2.595 -4.229 44 2HG1 ILE 7 2HG1 ILE 7 10.231 -2.801 -5.478 45 1HG2 ILE 7 1HG2 ILE 7 10.077 -0.649 -3.704 46 2HG2 ILE 7 2HG2 ILE 7 11.604 -0.556 -2.836 47 3HG2 ILE 7 3HG2 ILE 7 11.564 -0.773 -4.622 48 1HD1 ILE 7 1HD1 ILE 7 9.647 -4.871 -3.313 49 2HD1 ILE 7 2HD1 ILE 7 8.933 -4.805 -4.932 50 3HD1 ILE 7 3HD1 ILE 7 10.670 -5.114 -4.743 51 H ALA 8 H ALA 8 14.686 -4.242 -3.483 52 HA ALA 8 HA ALA 8 13.939 -6.757 -2.204 53 1HB ALA 8 1HB ALA 8 16.317 -7.271 -2.280 54 2HB ALA 8 2HB ALA 8 15.834 -6.554 -3.828 55 3HB ALA 8 3HB ALA 8 16.714 -5.580 -2.624 56 H ASN 9 H ASN 9 14.301 -3.673 -1.015 57 HA ASN 9 HA ASN 9 15.199 -4.328 1.700 58 1HB ASN 9 1HB ASN 9 13.990 -1.884 0.294 59 2HB ASN 9 2HB ASN 9 14.158 -1.977 2.038 60 1HD2 ASN 9 1HD2 ASN 9 15.990 -1.473 -0.984 61 2HD2 ASN 9 2HD2 ASN 9 17.532 -1.369 -0.158 62 H LEU 10 H LEU 10 12.321 -4.428 -0.254 63 HA LEU 10 HA LEU 10 10.615 -5.069 2.098 64 1HB LEU 10 1HB LEU 10 10.048 -4.160 -0.747 65 2HB LEU 10 2HB LEU 10 8.859 -5.009 0.161 66 HG LEU 10 HG LEU 10 9.584 -3.089 1.956 67 1HD1 LEU 10 1HD1 LEU 10 9.769 -1.746 -0.700 68 2HD1 LEU 10 2HD1 LEU 10 9.587 -0.933 0.860 69 3HD1 LEU 10 3HD1 LEU 10 11.030 -1.895 0.524 70 1HD2 LEU 10 1HD2 LEU 10 7.541 -1.922 1.585 71 2HD2 LEU 10 2HD2 LEU 10 7.196 -3.086 0.250 72 3HD2 LEU 10 3HD2 LEU 10 7.445 -3.629 1.880 73 H THR 11 H THR 11 12.104 -7.054 2.263 74 HA THR 11 HA THR 11 11.358 -9.123 0.338 75 HB THR 11 HB THR 11 12.697 -10.394 2.354 76 HG1 THR 11 1HG THR 11 14.625 -8.737 2.353 77 1HG2 THR 11 1HG2 THR 11 13.256 -10.566 -0.042 78 2HG2 THR 11 2HG2 THR 11 13.910 -8.916 -0.052 79 3HG2 THR 11 3HG2 THR 11 14.723 -10.205 0.859 80 H ALA 12 H ALA 12 10.455 -11.057 1.428 81 HA ALA 12 HA ALA 12 7.849 -10.257 2.433 82 1HB ALA 12 1HB ALA 12 7.398 -12.722 2.495 83 2HB ALA 12 2HB ALA 12 8.137 -12.239 0.952 84 3HB ALA 12 3HB ALA 12 9.113 -13.048 2.200 85 H ALA 13 H ALA 13 10.523 -11.878 4.105 86 HA ALA 13 HA ALA 13 8.986 -11.985 6.603 87 1HB ALA 13 1HB ALA 13 11.994 -12.114 6.134 88 2HB ALA 13 2HB ALA 13 11.166 -12.430 7.669 89 3HB ALA 13 3HB ALA 13 10.892 -13.500 6.276 90 H GLU 14 H GLU 14 11.031 -9.612 4.868 91 HA GLU 14 HA GLU 14 11.468 -7.940 7.150 92 1HB GLU 14 1HB GLU 14 12.648 -8.401 4.736 93 2HB GLU 14 2HB GLU 14 11.664 -7.042 4.259 94 1HG GLU 14 1HG GLU 14 13.812 -6.165 4.966 95 2HG GLU 14 2HG GLU 14 12.684 -5.768 6.264 96 H ILE 15 H ILE 15 9.028 -8.305 4.670 97 HA ILE 15 HA ILE 15 7.764 -5.795 5.157 98 HB ILE 15 HB ILE 15 7.209 -8.270 3.498 99 1HG1 ILE 15 1HG1 ILE 15 7.070 -5.305 3.004 100 2HG1 ILE 15 2HG1 ILE 15 8.578 -6.172 2.879 101 1HG2 ILE 15 1HG2 ILE 15 5.077 -6.251 4.291 102 2HG2 ILE 15 2HG2 ILE 15 4.955 -7.204 2.812 103 3HG2 ILE 15 3HG2 ILE 15 4.993 -8.026 4.360 104 1HD1 ILE 15 1HD1 ILE 15 6.953 -5.703 0.755 105 2HD1 ILE 15 2HD1 ILE 15 8.078 -7.086 0.862 106 3HD1 ILE 15 3HD1 ILE 15 6.364 -7.292 1.213 107 H GLU 16 H GLU 16 6.918 -9.204 5.890 108 HA GLU 16 HA GLU 16 4.734 -8.568 7.582 109 1HB GLU 16 1HB GLU 16 6.639 -10.792 7.284 110 2HB GLU 16 2HB GLU 16 5.993 -10.641 8.914 111 1HG GLU 16 1HG GLU 16 4.242 -10.821 6.425 112 2HG GLU 16 2HG GLU 16 4.646 -12.202 7.456 113 H GLN 17 H GLN 17 8.199 -8.629 8.513 114 HA GLN 17 HA GLN 17 7.432 -7.954 11.265 115 1HB GLN 17 1HB GLN 17 9.133 -9.725 10.391 116 2HB GLN 17 2HB GLN 17 10.206 -8.324 10.166 117 1HG GLN 17 1HG GLN 17 10.635 -9.420 12.279 118 2HG GLN 17 2HG GLN 17 9.952 -7.810 12.567 119 1HE2 GLN 17 1HE2 GLN 17 9.454 -8.653 14.683 120 2HE2 GLN 17 2HE2 GLN 17 8.010 -9.659 14.981 121 H GLY 18 H GLY 18 8.526 -6.353 8.326 122 1HA GLY 18 1HA GLY 18 9.571 -4.004 9.521 123 2HA GLY 18 2HA GLY 18 8.948 -4.202 7.873 124 H PHE 19 H PHE 19 6.303 -5.248 8.489 125 HA PHE 19 HA PHE 19 5.251 -2.546 9.265 126 1HB PHE 19 1HB PHE 19 4.482 -4.381 7.008 127 2HB PHE 19 2HB PHE 19 3.731 -2.866 7.361 128 HD1 PHE 19 1HD PHE 19 5.609 -0.778 7.643 129 HD2 PHE 19 2HD PHE 19 6.270 -4.444 5.536 130 HE1 PHE 19 1HE PHE 19 7.576 0.213 6.557 131 HE2 PHE 19 2HE PHE 19 8.318 -3.479 4.494 132 HZ PHE 19 HZ PHE 19 8.965 -1.141 5.004 133 H LYS 20 H LYS 20 5.536 -5.273 10.658 134 HA LYS 20 HA LYS 20 3.005 -6.107 11.477 135 1HB LYS 20 1HB LYS 20 5.503 -7.001 11.959 136 2HB LYS 20 2HB LYS 20 5.326 -6.123 13.433 137 1HG LYS 20 1HG LYS 20 3.348 -7.385 14.052 138 2HG LYS 20 2HG LYS 20 3.228 -8.112 12.453 139 1HD LYS 20 1HD LYS 20 5.846 -8.668 13.716 140 2HD LYS 20 2HD LYS 20 4.491 -9.169 14.722 141 1HE LYS 20 1HE LYS 20 4.978 -11.057 13.354 142 2HE LYS 20 2HE LYS 20 3.481 -10.345 12.752 143 1HZ LYS 20 1HZ LYS 20 6.149 -10.194 11.559 144 2HZ LYS 20 2HZ LYS 20 4.769 -10.869 10.913 145 3HZ LYS 20 3HZ LYS 20 4.891 -9.251 11.025 146 H ASP 21 H ASP 21 3.854 -3.003 11.859 147 HA ASP 21 HA ASP 21 2.792 -2.512 14.571 148 1HB ASP 21 1HB ASP 21 4.508 -1.023 13.419 149 2HB ASP 21 2HB ASP 21 3.189 -0.473 12.366 150 H VAL 22 H VAL 22 1.564 -2.833 11.292 151 HA VAL 22 HA VAL 22 -1.181 -2.182 12.179 152 HB VAL 22 HB VAL 22 -0.680 -1.857 9.310 153 1HG1 VAL 22 1HG1 VAL 22 -2.627 -0.871 10.712 154 2HG1 VAL 22 2HG1 VAL 22 -1.478 0.351 11.241 155 3HG1 VAL 22 3HG1 VAL 22 -1.873 0.180 9.511 156 1HG2 VAL 22 1HG2 VAL 22 1.578 -1.081 9.902 157 2HG2 VAL 22 2HG2 VAL 22 0.587 0.280 9.399 158 3HG2 VAL 22 3HG2 VAL 22 0.914 0.023 11.121 159 HA PRO 23 HA PRO 23 -1.656 -6.332 10.855 160 1HB PRO 23 1HB PRO 23 -4.240 -6.649 10.148 161 2HB PRO 23 2HB PRO 23 -3.811 -6.060 11.786 162 1HG PRO 23 1HG PRO 23 -4.568 -4.408 9.352 163 2HG PRO 23 2HG PRO 23 -5.262 -4.336 11.000 164 1HD PRO 23 1HD PRO 23 -3.238 -2.722 10.016 165 2HD PRO 23 2HD PRO 23 -3.391 -3.111 11.762 166 H SER 24 H SER 24 -2.502 -7.742 9.031 167 HA SER 24 HA SER 24 -1.989 -6.493 6.399 168 1HB SER 24 1HB SER 24 -1.254 -8.775 5.632 169 2HB SER 24 2HB SER 24 -0.194 -8.058 6.849 170 HG SER 24 HG SER 24 -0.691 -9.474 8.248 171 H PHE 25 H PHE 25 -3.081 -7.581 4.581 172 HA PHE 25 HA PHE 25 -5.587 -9.053 5.162 173 1HB PHE 25 1HB PHE 25 -6.228 -6.811 4.610 174 2HB PHE 25 2HB PHE 25 -4.964 -6.686 3.384 175 HD1 PHE 25 1HD PHE 25 -5.297 -7.228 1.123 176 HD2 PHE 25 2HD PHE 25 -8.232 -8.400 4.075 177 HE1 PHE 25 1HE PHE 25 -6.873 -7.829 -0.679 178 HE2 PHE 25 2HE PHE 25 -9.773 -9.039 2.251 179 HZ PHE 25 HZ PHE 25 -9.133 -8.722 -0.108 180 H VAL 26 H VAL 26 -6.119 -10.393 3.156 181 HA VAL 26 HA VAL 26 -3.873 -10.951 1.475 182 HB VAL 26 HB VAL 26 -3.806 -12.393 3.530 183 1HG1 VAL 26 1HG1 VAL 26 -5.153 -14.330 3.714 184 2HG1 VAL 26 2HG1 VAL 26 -6.247 -12.939 3.635 185 3HG1 VAL 26 3HG1 VAL 26 -6.016 -13.983 2.210 186 1HG2 VAL 26 1HG2 VAL 26 -3.902 -13.756 0.805 187 2HG2 VAL 26 2HG2 VAL 26 -2.492 -12.986 1.571 188 3HG2 VAL 26 3HG2 VAL 26 -3.176 -14.452 2.266 189 H HIS 27 H HIS 27 -4.763 -11.115 -0.745 190 HA HIS 27 HA HIS 27 -7.472 -12.388 -0.732 191 1HB HIS 27 1HB HIS 27 -8.061 -11.069 -2.685 192 2HB HIS 27 2HB HIS 27 -7.745 -10.093 -1.274 193 HD1 HIS 27 1HD HIS 27 -7.641 -8.661 -3.915 194 HD2 HIS 27 2HD HIS 27 -4.291 -10.655 -2.312 195 HE1 HIS 27 1HE HIS 27 -5.511 -7.508 -4.757 196 H GLU 28 H GLU 28 -7.795 -12.801 -3.352 197 HA GLU 28 HA GLU 28 -6.539 -15.364 -3.338 198 1HB GLU 28 1HB GLU 28 -9.015 -14.402 -4.058 199 2HB GLU 28 2HB GLU 28 -8.269 -14.521 -5.639 200 1HG GLU 28 1HG GLU 28 -9.094 -16.638 -5.541 201 2HG GLU 28 2HG GLU 28 -7.604 -16.979 -4.667 202 H GLY 29 H GLY 29 -5.233 -12.756 -4.397 203 1HA GLY 29 1HA GLY 29 -3.474 -12.207 -5.874 204 2HA GLY 29 2HA GLY 29 -3.425 -13.897 -6.396 205 H GLY 30 H GLY 30 -3.071 -12.514 -8.477 206 1HA GLY 30 1HA GLY 30 -3.929 -12.255 -10.633 207 2HA GLY 30 2HA GLY 30 -5.583 -12.466 -10.017 208 H ASP 31 H ASP 31 -3.992 -10.264 -11.624 209 HA ASP 31 HA ASP 31 -3.505 -8.083 -10.110 210 1HB ASP 31 1HB ASP 31 -3.518 -6.692 -11.886 211 2HB ASP 31 2HB ASP 31 -2.938 -8.263 -12.446 212 H VAL 32 H VAL 32 -4.483 -6.297 -9.221 213 HA VAL 32 HA VAL 32 -7.387 -5.982 -9.271 214 HB VAL 32 HB VAL 32 -5.822 -7.313 -7.200 215 1HG1 VAL 32 1HG1 VAL 32 -6.754 -5.432 -5.897 216 2HG1 VAL 32 2HG1 VAL 32 -8.377 -5.770 -6.535 217 3HG1 VAL 32 3HG1 VAL 32 -7.609 -6.909 -5.440 218 1HG2 VAL 32 1HG2 VAL 32 -8.738 -7.801 -7.959 219 2HG2 VAL 32 2HG2 VAL 32 -7.379 -8.726 -8.587 220 3HG2 VAL 32 3HG2 VAL 32 -7.736 -8.813 -6.884 221 HA PRO 33 HA PRO 33 -5.367 -2.224 -8.859 222 1HB PRO 33 1HB PRO 33 -7.424 -0.447 -8.699 223 2HB PRO 33 2HB PRO 33 -7.161 -1.456 -10.155 224 1HG PRO 33 1HG PRO 33 -9.018 -1.993 -7.835 225 2HG PRO 33 2HG PRO 33 -9.404 -2.067 -9.584 226 1HD PRO 33 1HD PRO 33 -8.716 -4.317 -8.092 227 2HD PRO 33 2HD PRO 33 -8.255 -4.162 -9.810 228 H LEU 34 H LEU 34 -4.558 -0.732 -7.567 229 HA LEU 34 HA LEU 34 -4.328 -1.117 -4.934 230 1HB LEU 34 1HB LEU 34 -3.652 1.248 -4.709 231 2HB LEU 34 2HB LEU 34 -2.779 0.100 -5.684 232 HG LEU 34 HG LEU 34 -2.794 1.210 -7.425 233 1HD1 LEU 34 1HD1 LEU 34 -4.992 1.077 -8.319 234 2HD1 LEU 34 2HD1 LEU 34 -5.620 2.241 -7.124 235 3HD1 LEU 34 3HD1 LEU 34 -4.531 2.760 -8.412 236 1HD2 LEU 34 1HD2 LEU 34 -2.186 3.286 -7.282 237 2HD2 LEU 34 2HD2 LEU 34 -3.561 3.805 -6.336 238 3HD2 LEU 34 3HD2 LEU 34 -2.236 2.898 -5.563 239 H VAL 35 H VAL 35 -6.900 0.715 -6.445 240 HA VAL 35 HA VAL 35 -8.140 1.657 -3.981 241 HB VAL 35 HB VAL 35 -7.855 2.671 -6.394 242 1HG1 VAL 35 1HG1 VAL 35 -9.736 2.470 -7.888 243 2HG1 VAL 35 2HG1 VAL 35 -8.998 0.879 -7.647 244 3HG1 VAL 35 3HG1 VAL 35 -10.510 1.287 -6.824 245 1HG2 VAL 35 1HG2 VAL 35 -9.470 4.221 -5.995 246 2HG2 VAL 35 2HG2 VAL 35 -10.509 3.095 -5.066 247 3HG2 VAL 35 3HG2 VAL 35 -8.977 3.677 -4.386 248 H GLU 36 H GLU 36 -8.340 -1.396 -5.391 249 HA GLU 36 HA GLU 36 -10.891 -1.762 -3.880 250 1HB GLU 36 1HB GLU 36 -9.619 -3.497 -6.022 251 2HB GLU 36 2HB GLU 36 -10.963 -3.992 -4.997 252 1HG GLU 36 1HG GLU 36 -10.981 -1.684 -6.989 253 2HG GLU 36 2HG GLU 36 -11.808 -3.232 -7.143 254 H LEU 37 H LEU 37 -7.312 -2.543 -4.005 255 HA LEU 37 HA LEU 37 -7.834 -4.709 -2.087 256 1HB LEU 37 1HB LEU 37 -5.489 -5.131 -2.088 257 2HB LEU 37 2HB LEU 37 -6.165 -5.156 -3.698 258 HG LEU 37 HG LEU 37 -5.210 -2.820 -4.043 259 1HD1 LEU 37 1HD1 LEU 37 -3.109 -2.392 -2.612 260 2HD1 LEU 37 2HD1 LEU 37 -4.648 -1.976 -1.887 261 3HD1 LEU 37 3HD1 LEU 37 -3.843 -3.489 -1.420 262 1HD2 LEU 37 1HD2 LEU 37 -4.231 -4.757 -5.072 263 2HD2 LEU 37 2HD2 LEU 37 -2.917 -3.765 -4.452 264 3HD2 LEU 37 3HD2 LEU 37 -3.415 -5.232 -3.571 265 H LEU 38 H LEU 38 -7.213 -1.201 -2.019 266 HA LEU 38 HA LEU 38 -6.393 -1.404 0.639 267 1HB LEU 38 1HB LEU 38 -5.882 0.754 0.472 268 2HB LEU 38 2HB LEU 38 -6.141 0.572 -1.220 269 HG LEU 38 HG LEU 38 -8.309 1.494 0.713 270 1HD1 LEU 38 1HD1 LEU 38 -7.393 3.406 0.928 271 2HD1 LEU 38 2HD1 LEU 38 -6.013 2.934 -0.066 272 3HD1 LEU 38 3HD1 LEU 38 -7.425 3.692 -0.810 273 1HD2 LEU 38 1HD2 LEU 38 -8.520 0.689 -1.982 274 2HD2 LEU 38 2HD2 LEU 38 -9.729 1.463 -0.955 275 3HD2 LEU 38 3HD2 LEU 38 -8.692 2.447 -1.983 276 H VAL 39 H VAL 39 -9.398 -1.259 -1.087 277 HA VAL 39 HA VAL 39 -11.061 -0.203 1.011 278 HB VAL 39 HB VAL 39 -11.071 -0.553 -1.729 279 1HG1 VAL 39 1HG1 VAL 39 -13.244 -1.589 -2.366 280 2HG1 VAL 39 2HG1 VAL 39 -12.173 -2.809 -1.720 281 3HG1 VAL 39 3HG1 VAL 39 -13.478 -2.166 -0.707 282 1HG2 VAL 39 1HG2 VAL 39 -12.136 1.267 -0.459 283 2HG2 VAL 39 2HG2 VAL 39 -13.138 0.697 -1.787 284 3HG2 VAL 39 3HG2 VAL 39 -13.533 0.224 -0.120 285 H SER 40 H SER 40 -10.462 -3.266 -0.478 286 HA SER 40 HA SER 40 -11.815 -5.007 1.317 287 1HB SER 40 1HB SER 40 -10.262 -5.271 -1.050 288 2HB SER 40 2HB SER 40 -9.395 -6.177 0.178 289 HG SER 40 HG SER 40 -11.986 -6.482 -0.862 290 H ALA 41 H ALA 41 -8.332 -3.829 1.219 291 HA ALA 41 HA ALA 41 -7.845 -5.344 3.650 292 1HB ALA 41 1HB ALA 41 -6.092 -5.053 2.014 293 2HB ALA 41 2HB ALA 41 -6.118 -3.319 2.205 294 3HB ALA 41 3HB ALA 41 -5.597 -4.340 3.563 295 H GLY 42 H GLY 42 -9.131 -2.110 3.146 296 1HA GLY 42 1HA GLY 42 -10.457 -1.179 4.849 297 2HA GLY 42 2HA GLY 42 -9.652 -2.192 6.059 298 H ILE 43 H ILE 43 -8.046 -0.338 3.603 299 HA ILE 43 HA ILE 43 -6.508 1.367 5.423 300 HB ILE 43 HB ILE 43 -6.828 0.987 2.449 301 1HG1 ILE 43 1HG1 ILE 43 -4.630 0.134 2.224 302 2HG1 ILE 43 2HG1 ILE 43 -4.173 0.570 3.843 303 1HG2 ILE 43 1HG2 ILE 43 -6.226 3.420 2.865 304 2HG2 ILE 43 2HG2 ILE 43 -4.850 2.907 3.840 305 3HG2 ILE 43 3HG2 ILE 43 -4.876 2.588 2.099 306 1HD1 ILE 43 1HD1 ILE 43 -4.566 -1.865 3.470 307 2HD1 ILE 43 2HD1 ILE 43 -5.575 -1.199 4.766 308 3HD1 ILE 43 3HD1 ILE 43 -6.274 -1.475 3.160 309 H SER 44 H SER 44 -9.059 1.624 2.784 310 HA SER 44 HA SER 44 -10.506 3.529 4.413 311 1HB SER 44 1HB SER 44 -9.097 4.374 1.898 312 2HB SER 44 2HB SER 44 -10.755 4.892 2.169 313 HG SER 44 HG SER 44 -8.430 5.624 3.476 314 HA PRO 45 HA PRO 45 -12.991 0.568 2.009 315 1HB PRO 45 1HB PRO 45 -14.981 0.096 3.753 316 2HB PRO 45 2HB PRO 45 -13.313 -0.472 4.068 317 1HG PRO 45 1HG PRO 45 -14.632 2.067 5.104 318 2HG PRO 45 2HG PRO 45 -13.801 0.798 6.055 319 1HD PRO 45 1HD PRO 45 -12.519 3.040 5.227 320 2HD PRO 45 2HD PRO 45 -11.678 1.462 5.301 321 H SER 46 H SER 46 -13.756 3.766 2.948 322 HA SER 46 HA SER 46 -16.500 3.799 1.858 323 1HB SER 46 1HB SER 46 -16.110 4.987 3.928 324 2HB SER 46 2HB SER 46 -14.766 5.842 3.174 325 HG SER 46 HG SER 46 -16.419 7.236 3.135 326 H LYS 47 H LYS 47 -16.617 3.992 -0.389 327 HA LYS 47 HA LYS 47 -14.410 4.035 -1.953 328 1HB LYS 47 1HB LYS 47 -17.276 4.688 -2.619 329 2HB LYS 47 2HB LYS 47 -16.024 4.762 -3.871 330 1HG LYS 47 1HG LYS 47 -15.341 2.473 -3.452 331 2HG LYS 47 2HG LYS 47 -16.476 2.331 -2.107 332 1HD LYS 47 1HD LYS 47 -18.394 2.490 -3.624 333 2HD LYS 47 2HD LYS 47 -17.317 2.905 -4.972 334 1HE LYS 47 1HE LYS 47 -17.776 0.615 -5.322 335 2HE LYS 47 2HE LYS 47 -16.157 0.685 -4.649 336 1HZ LYS 47 1HZ LYS 47 -17.207 0.108 -2.452 337 2HZ LYS 47 2HZ LYS 47 -18.608 -0.222 -3.273 338 3HZ LYS 47 3HZ LYS 47 -17.251 -1.021 -3.627 339 H ARG 48 H ARG 48 -15.988 7.127 -1.029 340 HA ARG 48 HA ARG 48 -14.343 8.685 -2.863 341 1HB ARG 48 1HB ARG 48 -16.371 9.594 -1.687 342 2HB ARG 48 2HB ARG 48 -15.489 9.592 -0.166 343 1HG ARG 48 1HG ARG 48 -14.703 11.172 -2.665 344 2HG ARG 48 2HG ARG 48 -15.680 11.811 -1.360 345 1HD ARG 48 1HD ARG 48 -12.730 11.088 -1.223 346 2HD ARG 48 2HD ARG 48 -13.446 12.681 -1.180 347 HE ARG 48 HE ARG 48 -14.601 11.381 0.971 348 1HH1 ARG 48 2HH2 ARG 48 -11.247 12.433 0.035 349 2HH1 ARG 48 1HH2 ARG 48 -10.610 12.206 1.547 350 1HH2 ARG 48 2HH1 ARG 48 -13.693 11.320 3.150 351 2HH2 ARG 48 1HH1 ARG 48 -11.965 11.493 3.288 352 H GLN 49 H GLN 49 -13.939 7.657 0.564 353 HA GLN 49 HA GLN 49 -11.455 9.034 0.930 354 1HB GLN 49 1HB GLN 49 -13.333 7.354 2.445 355 2HB GLN 49 2HB GLN 49 -11.769 6.639 2.561 356 1HG GLN 49 1HG GLN 49 -12.718 9.254 3.632 357 2HG GLN 49 2HG GLN 49 -11.968 7.931 4.471 358 1HE2 GLN 49 1HE2 GLN 49 -9.583 7.428 3.404 359 2HE2 GLN 49 2HE2 GLN 49 -8.554 8.788 3.169 360 H ALA 50 H ALA 50 -12.339 5.642 0.102 361 HA ALA 50 HA ALA 50 -9.847 4.515 -0.230 362 1HB ALA 50 1HB ALA 50 -12.205 4.197 -2.158 363 2HB ALA 50 2HB ALA 50 -10.931 3.045 -1.881 364 3HB ALA 50 3HB ALA 50 -12.096 3.407 -0.580 365 H ARG 51 H ARG 51 -11.696 6.236 -2.795 366 HA ARG 51 HA ARG 51 -9.523 5.898 -4.609 367 1HB ARG 51 1HB ARG 51 -12.085 7.564 -4.704 368 2HB ARG 51 2HB ARG 51 -10.948 7.496 -6.062 369 1HG ARG 51 1HG ARG 51 -11.286 5.207 -6.440 370 2HG ARG 51 2HG ARG 51 -11.966 4.913 -4.831 371 1HD ARG 51 1HD ARG 51 -14.026 6.088 -5.521 372 2HD ARG 51 2HD ARG 51 -13.323 6.285 -7.149 373 HE ARG 51 HE ARG 51 -13.303 3.524 -6.135 374 1HH1 ARG 51 2HH2 ARG 51 -15.244 5.871 -7.937 375 2HH1 ARG 51 1HH2 ARG 51 -16.141 4.662 -8.801 376 1HH2 ARG 51 2HH1 ARG 51 -14.313 1.970 -7.447 377 2HH2 ARG 51 1HH1 ARG 51 -15.679 2.317 -8.378 378 H GLU 52 H GLU 52 -10.157 8.494 -2.269 379 HA GLU 52 HA GLU 52 -7.958 10.008 -3.545 380 1HB GLU 52 1HB GLU 52 -9.846 11.161 -2.415 381 2HB GLU 52 2HB GLU 52 -9.463 10.319 -0.912 382 1HG GLU 52 1HG GLU 52 -7.188 11.527 -0.925 383 2HG GLU 52 2HG GLU 52 -7.767 12.469 -2.287 384 H ASP 53 H ASP 53 -8.326 7.681 -0.820 385 HA ASP 53 HA ASP 53 -5.704 8.083 0.178 386 1HB ASP 53 1HB ASP 53 -7.960 6.117 0.524 387 2HB ASP 53 2HB ASP 53 -6.377 5.489 0.702 388 H ILE 54 H ILE 54 -6.965 6.626 -2.649 389 HA ILE 54 HA ILE 54 -4.350 5.486 -3.128 390 HB ILE 54 HB ILE 54 -6.991 4.748 -4.072 391 1HG1 ILE 54 1HG1 ILE 54 -5.579 2.791 -4.948 392 2HG1 ILE 54 2HG1 ILE 54 -4.176 3.649 -4.275 393 1HG2 ILE 54 1HG2 ILE 54 -6.445 4.266 -6.494 394 2HG2 ILE 54 2HG2 ILE 54 -6.782 5.936 -6.120 395 3HG2 ILE 54 3HG2 ILE 54 -5.109 5.399 -6.384 396 1HD1 ILE 54 1HD1 ILE 54 -5.005 2.011 -2.703 397 2HD1 ILE 54 2HD1 ILE 54 -5.251 3.648 -2.067 398 3HD1 ILE 54 3HD1 ILE 54 -6.619 2.752 -2.772 399 H GLN 55 H GLN 55 -6.467 8.001 -4.685 400 HA GLN 55 HA GLN 55 -4.431 8.536 -6.584 401 1HB GLN 55 1HB GLN 55 -6.966 9.966 -5.738 402 2HB GLN 55 2HB GLN 55 -5.878 10.628 -6.956 403 1HG GLN 55 1HG GLN 55 -5.999 8.592 -8.295 404 2HG GLN 55 2HG GLN 55 -7.056 7.839 -7.107 405 1HE2 GLN 55 1HE2 GLN 55 -6.915 10.095 -9.774 406 2HE2 GLN 55 2HE2 GLN 55 -8.641 10.447 -9.793 407 H ASN 56 H ASN 56 -4.408 9.263 -3.292 408 HA ASN 56 HA ASN 56 -2.919 11.695 -3.749 409 1HB ASN 56 1HB ASN 56 -3.578 10.031 -1.259 410 2HB ASN 56 2HB ASN 56 -2.313 11.239 -1.163 411 1HD2 ASN 56 1HD2 ASN 56 -5.044 12.084 -3.211 412 2HD2 ASN 56 2HD2 ASN 56 -5.722 13.233 -2.075 413 H GLY 57 H GLY 57 -0.924 12.127 -3.768 414 1HA GLY 57 1HA GLY 57 1.026 10.023 -4.029 415 2HA GLY 57 2HA GLY 57 1.345 11.759 -4.071 416 H ALA 58 H ALA 58 -0.364 10.051 -1.617 417 HA ALA 58 HA ALA 58 1.878 10.132 0.316 418 1HB ALA 58 1HB ALA 58 0.272 11.912 0.896 419 2HB ALA 58 2HB ALA 58 -1.008 10.678 0.984 420 3HB ALA 58 3HB ALA 58 0.373 10.623 2.112 421 H ILE 59 H ILE 59 -0.265 8.078 -1.537 422 HA ILE 59 HA ILE 59 0.190 5.880 0.434 423 HB ILE 59 HB ILE 59 -1.932 6.056 -0.269 424 1HG1 ILE 59 1HG1 ILE 59 -1.117 3.940 0.120 425 2HG1 ILE 59 2HG1 ILE 59 -2.401 3.917 -1.099 426 1HG2 ILE 59 1HG2 ILE 59 -2.324 7.091 -2.262 427 2HG2 ILE 59 2HG2 ILE 59 -0.851 6.452 -3.044 428 3HG2 ILE 59 3HG2 ILE 59 -2.281 5.451 -2.900 429 1HD1 ILE 59 1HD1 ILE 59 -0.424 3.951 -2.836 430 2HD1 ILE 59 2HD1 ILE 59 0.544 3.437 -1.431 431 3HD1 ILE 59 3HD1 ILE 59 -0.836 2.462 -1.999 432 H TYR 60 H TYR 60 2.230 5.744 0.600 433 HA TYR 60 HA TYR 60 3.986 5.441 -1.686 434 1HB TYR 60 1HB TYR 60 4.518 5.259 1.286 435 2HB TYR 60 2HB TYR 60 5.710 5.291 0.022 436 HD1 TYR 60 1HD TYR 60 6.462 7.412 -0.942 437 HD2 TYR 60 2HD TYR 60 3.172 7.291 1.854 438 HE1 TYR 60 1HE TYR 60 6.585 9.864 -0.681 439 HE2 TYR 60 2HE TYR 60 3.294 9.715 2.128 440 HH TYR 60 HH TYR 60 5.740 11.755 0.524 441 H VAL 61 H VAL 61 3.891 3.503 -2.702 442 HA VAL 61 HA VAL 61 3.241 1.103 -1.111 443 HB VAL 61 HB VAL 61 3.609 1.221 -4.138 444 1HG1 VAL 61 1HG1 VAL 61 3.815 -1.015 -2.860 445 2HG1 VAL 61 2HG1 VAL 61 2.154 -0.750 -2.313 446 3HG1 VAL 61 3HG1 VAL 61 2.493 -0.952 -4.032 447 1HG2 VAL 61 1HG2 VAL 61 1.705 2.609 -3.695 448 2HG2 VAL 61 2HG2 VAL 61 0.997 0.983 -3.924 449 3HG2 VAL 61 3HG2 VAL 61 1.258 1.605 -2.312 450 H ASN 62 H ASN 62 4.848 -0.255 -0.560 451 HA ASN 62 HA ASN 62 7.032 -0.995 -0.240 452 1HB ASN 62 1HB ASN 62 7.090 -0.503 -3.174 453 2HB ASN 62 2HB ASN 62 8.590 -0.769 -2.294 454 1HD2 ASN 62 1HD2 ASN 62 5.452 -2.057 -2.949 455 2HD2 ASN 62 2HD2 ASN 62 6.040 -3.730 -2.801 456 H GLY 63 H GLY 63 6.199 1.985 0.024 457 1HA GLY 63 1HA GLY 63 7.280 3.791 1.095 458 2HA GLY 63 2HA GLY 63 8.850 3.080 0.730 459 H GLU 64 H GLU 64 6.780 3.195 -2.113 460 HA GLU 64 HA GLU 64 8.095 5.672 -3.047 461 1HB GLU 64 1HB GLU 64 8.701 3.261 -4.006 462 2HB GLU 64 2HB GLU 64 7.179 3.477 -4.870 463 1HG GLU 64 1HG GLU 64 8.769 4.374 -6.350 464 2HG GLU 64 2HG GLU 64 8.135 5.819 -5.556 465 H ARG 65 H ARG 65 6.671 7.249 -3.656 466 HA ARG 65 HA ARG 65 3.862 6.978 -3.108 467 1HB ARG 65 1HB ARG 65 4.722 9.045 -2.671 468 2HB ARG 65 2HB ARG 65 5.761 9.091 -4.069 469 1HG ARG 65 1HG ARG 65 2.802 9.151 -4.567 470 2HG ARG 65 2HG ARG 65 3.545 10.536 -3.789 471 1HD ARG 65 1HD ARG 65 5.317 10.267 -5.815 472 2HD ARG 65 2HD ARG 65 3.893 9.603 -6.597 473 HE ARG 65 HE ARG 65 3.911 12.234 -5.183 474 1HH1 ARG 65 2HH2 ARG 65 3.322 10.591 -8.358 475 2HH1 ARG 65 1HH2 ARG 65 2.688 12.026 -9.034 476 1HH2 ARG 65 2HH1 ARG 65 3.210 14.004 -6.126 477 2HH2 ARG 65 1HH1 ARG 65 2.859 14.071 -7.833 478 H LEU 66 H LEU 66 2.513 5.776 -4.344 479 HA LEU 66 HA LEU 66 2.660 5.955 -7.311 480 1HB LEU 66 1HB LEU 66 2.928 3.516 -5.607 481 2HB LEU 66 2HB LEU 66 2.382 3.477 -7.294 482 HG LEU 66 HG LEU 66 5.077 4.544 -6.359 483 1HD1 LEU 66 1HD1 LEU 66 5.930 2.496 -7.372 484 2HD1 LEU 66 2HD1 LEU 66 4.805 2.160 -6.033 485 3HD1 LEU 66 3HD1 LEU 66 4.258 1.973 -7.727 486 1HD2 LEU 66 1HD2 LEU 66 4.104 3.969 -9.198 487 2HD2 LEU 66 2HD2 LEU 66 4.361 5.591 -8.526 488 3HD2 LEU 66 3HD2 LEU 66 5.724 4.489 -8.719 489 H GLN 67 H GLN 67 0.577 6.877 -7.620 490 HA GLN 67 HA GLN 67 -1.677 5.978 -6.004 491 1HB GLN 67 1HB GLN 67 -2.230 8.390 -5.863 492 2HB GLN 67 2HB GLN 67 -0.697 8.131 -5.136 493 1HG GLN 67 1HG GLN 67 -1.662 9.628 -7.522 494 2HG GLN 67 2HG GLN 67 -0.788 10.183 -6.133 495 1HE2 GLN 67 1HE2 GLN 67 1.424 8.262 -6.203 496 2HE2 GLN 67 2HE2 GLN 67 2.363 8.717 -7.643 497 H ASP 68 H ASP 68 -1.161 4.948 -8.675 498 HA ASP 68 HA ASP 68 -3.635 5.951 -9.936 499 1HB ASP 68 1HB ASP 68 -1.593 7.168 -10.782 500 2HB ASP 68 2HB ASP 68 -0.976 5.623 -11.354 501 H VAL 69 H VAL 69 -4.390 4.501 -11.590 502 HA VAL 69 HA VAL 69 -3.966 1.610 -11.093 503 HB VAL 69 HB VAL 69 -6.126 2.091 -11.713 504 1HG1 VAL 69 1HG1 VAL 69 -5.150 3.795 -14.047 505 2HG1 VAL 69 2HG1 VAL 69 -6.844 3.330 -13.781 506 3HG1 VAL 69 3HG1 VAL 69 -6.023 4.366 -12.615 507 1HG2 VAL 69 1HG2 VAL 69 -5.211 0.158 -12.915 508 2HG2 VAL 69 2HG2 VAL 69 -6.554 0.915 -13.773 509 3HG2 VAL 69 3HG2 VAL 69 -4.892 1.188 -14.329 510 H GLY 70 H GLY 70 -2.709 0.358 -12.265 511 1HA GLY 70 1HA GLY 70 -0.961 -0.240 -13.673 512 2HA GLY 70 2HA GLY 70 -1.107 1.318 -14.511 513 H ALA 71 H ALA 71 -0.896 2.274 -11.473 514 HA ALA 71 HA ALA 71 2.058 2.404 -11.334 515 1HB ALA 71 1HB ALA 71 0.667 4.360 -10.593 516 2HB ALA 71 2HB ALA 71 0.137 3.380 -9.202 517 3HB ALA 71 3HB ALA 71 1.844 3.766 -9.425 518 H ILE 72 H ILE 72 -0.665 1.040 -9.179 519 HA ILE 72 HA ILE 72 0.955 -1.408 -9.040 520 HB ILE 72 HB ILE 72 -0.668 -0.485 -6.735 521 1HG1 ILE 72 1HG1 ILE 72 1.827 0.158 -5.913 522 2HG1 ILE 72 2HG1 ILE 72 1.988 0.674 -7.531 523 1HG2 ILE 72 1HG2 ILE 72 1.821 -2.237 -7.020 524 2HG2 ILE 72 2HG2 ILE 72 0.956 -1.930 -5.493 525 3HG2 ILE 72 3HG2 ILE 72 0.169 -2.824 -6.778 526 1HD1 ILE 72 1HD1 ILE 72 1.084 2.414 -5.864 527 2HD1 ILE 72 2HD1 ILE 72 0.047 2.216 -7.272 528 3HD1 ILE 72 3HD1 ILE 72 -0.370 1.475 -5.711 529 H LEU 73 H LEU 73 -0.328 -3.352 -9.083 530 HA LEU 73 HA LEU 73 -3.182 -3.182 -8.689 531 1HB LEU 73 1HB LEU 73 -1.812 -4.821 -10.800 532 2HB LEU 73 2HB LEU 73 -3.495 -4.935 -10.305 533 HG LEU 73 HG LEU 73 -2.265 -2.398 -11.518 534 1HD1 LEU 73 1HD1 LEU 73 -3.492 -3.034 -13.540 535 2HD1 LEU 73 2HD1 LEU 73 -2.393 -4.341 -13.110 536 3HD1 LEU 73 3HD1 LEU 73 -4.113 -4.487 -12.731 537 1HD2 LEU 73 1HD2 LEU 73 -4.088 -1.659 -10.287 538 2HD2 LEU 73 2HD2 LEU 73 -4.612 -1.767 -11.948 539 3HD2 LEU 73 3HD2 LEU 73 -5.117 -3.040 -10.841 540 H THR 74 H THR 74 -1.075 -6.056 -9.239 541 HA THR 74 HA THR 74 -1.500 -6.767 -6.448 542 HB THR 74 HB THR 74 -0.611 -9.014 -7.648 543 HG1 THR 74 1HG THR 74 -1.035 -8.983 -9.834 544 1HG2 THR 74 1HG2 THR 74 -2.930 -9.415 -8.308 545 2HG2 THR 74 2HG2 THR 74 -2.845 -8.727 -6.702 546 3HG2 THR 74 3HG2 THR 74 -3.323 -7.686 -8.036 547 H ALA 75 H ALA 75 0.331 -8.539 -5.797 548 HA ALA 75 HA ALA 75 2.628 -7.045 -5.114 549 1HB ALA 75 1HB ALA 75 2.180 -9.089 -3.845 550 2HB ALA 75 2HB ALA 75 2.152 -10.084 -5.318 551 3HB ALA 75 3HB ALA 75 3.656 -9.351 -4.714 552 H GLU 76 H GLU 76 2.059 -9.264 -7.875 553 HA GLU 76 HA GLU 76 4.840 -9.134 -8.653 554 1HB GLU 76 1HB GLU 76 3.295 -11.067 -8.910 555 2HB GLU 76 2HB GLU 76 2.343 -10.162 -10.083 556 1HG GLU 76 1HG GLU 76 4.143 -10.204 -11.688 557 2HG GLU 76 2HG GLU 76 5.305 -10.743 -10.472 558 H HIS 77 H HIS 77 2.330 -6.955 -8.844 559 HA HIS 77 HA HIS 77 3.311 -5.552 -11.257 560 1HB HIS 77 1HB HIS 77 0.902 -5.987 -10.722 561 2HB HIS 77 2HB HIS 77 1.077 -4.871 -9.371 562 HD1 HIS 77 1HD HIS 77 2.337 -2.395 -10.364 563 HD2 HIS 77 2HD HIS 77 -0.261 -4.790 -12.573 564 HE1 HIS 77 1HE HIS 77 0.710 -0.830 -11.433 565 H ARG 78 H ARG 78 4.156 -5.876 -7.911 566 HA ARG 78 HA ARG 78 5.295 -3.150 -8.009 567 1HB ARG 78 1HB ARG 78 3.385 -3.683 -6.202 568 2HB ARG 78 2HB ARG 78 4.740 -4.288 -5.309 569 1HG ARG 78 1HG ARG 78 3.971 -1.477 -5.940 570 2HG ARG 78 2HG ARG 78 4.663 -2.175 -4.528 571 1HD ARG 78 1HD ARG 78 6.189 -0.571 -5.328 572 2HD ARG 78 2HD ARG 78 6.914 -2.161 -5.616 573 HE ARG 78 HE ARG 78 5.454 -1.044 -7.908 574 1HH1 ARG 78 2HH2 ARG 78 8.588 -0.726 -6.348 575 2HH1 ARG 78 1HH2 ARG 78 9.518 -1.236 -7.739 576 1HH2 ARG 78 2HH1 ARG 78 6.656 -1.324 -9.872 577 2HH2 ARG 78 1HH1 ARG 78 8.363 -1.572 -9.774 578 H LEU 79 H LEU 79 5.767 -6.253 -6.090 579 HA LEU 79 HA LEU 79 8.633 -6.059 -6.566 580 1HB LEU 79 1HB LEU 79 7.724 -8.394 -5.123 581 2HB LEU 79 2HB LEU 79 8.717 -7.053 -4.573 582 HG LEU 79 HG LEU 79 5.728 -7.283 -4.404 583 1HD1 LEU 79 1HD1 LEU 79 6.354 -7.521 -1.884 584 2HD1 LEU 79 2HD1 LEU 79 6.955 -8.856 -2.903 585 3HD1 LEU 79 3HD1 LEU 79 8.041 -7.565 -2.371 586 1HD2 LEU 79 1HD2 LEU 79 7.457 -5.363 -2.793 587 2HD2 LEU 79 2HD2 LEU 79 6.698 -4.828 -4.286 588 3HD2 LEU 79 3HD2 LEU 79 5.688 -5.418 -2.950 589 H GLU 80 H GLU 80 9.392 -8.501 -6.756 590 HA GLU 80 HA GLU 80 8.956 -9.657 -9.229 591 1HB GLU 80 1HB GLU 80 10.129 -11.537 -8.238 592 2HB GLU 80 2HB GLU 80 10.766 -10.063 -7.497 593 1HG GLU 80 1HG GLU 80 9.200 -10.396 -5.554 594 2HG GLU 80 2HG GLU 80 8.670 -11.911 -6.261 595 H GLY 81 H GLY 81 6.700 -9.645 -6.590 596 1HA GLY 81 1HA GLY 81 4.497 -10.499 -6.792 597 2HA GLY 81 2HA GLY 81 5.138 -11.817 -7.759 598 H ARG 82 H ARG 82 5.107 -10.385 -4.526 599 HA ARG 82 HA ARG 82 4.513 -13.018 -3.482 600 1HB ARG 82 1HB ARG 82 6.745 -11.461 -2.095 601 2HB ARG 82 2HB ARG 82 6.047 -13.018 -1.611 602 1HG ARG 82 1HG ARG 82 7.036 -14.092 -3.604 603 2HG ARG 82 2HG ARG 82 7.765 -12.530 -4.053 604 1HD ARG 82 1HD ARG 82 8.826 -12.498 -1.732 605 2HD ARG 82 2HD ARG 82 8.317 -14.170 -1.549 606 HE ARG 82 HE ARG 82 10.304 -13.032 -3.443 607 1HH1 ARG 82 2HH2 ARG 82 8.898 -16.015 -2.080 608 2HH1 ARG 82 1HH2 ARG 82 9.736 -17.055 -3.181 609 1HH2 ARG 82 2HH1 ARG 82 11.386 -14.366 -4.823 610 2HH2 ARG 82 1HH1 ARG 82 11.332 -16.094 -4.687 611 H PHE 83 H PHE 83 5.278 -9.727 -2.235 612 HA PHE 83 HA PHE 83 2.695 -9.668 -0.762 613 1HB PHE 83 1HB PHE 83 5.540 -9.141 0.170 614 2HB PHE 83 2HB PHE 83 4.180 -8.400 0.965 615 HD1 PHE 83 1HD PHE 83 5.404 -11.853 0.060 616 HD2 PHE 83 2HD PHE 83 3.256 -9.352 2.806 617 HE1 PHE 83 1HE PHE 83 5.133 -13.783 1.590 618 HE2 PHE 83 2HE PHE 83 3.107 -11.256 4.408 619 HZ PHE 83 HZ PHE 83 4.007 -13.466 3.782 620 H THR 84 H THR 84 2.646 -7.145 0.124 621 HA THR 84 HA THR 84 4.250 -5.272 -1.338 622 HB THR 84 HB THR 84 1.438 -5.808 -2.162 623 HG1 THR 84 1HG THR 84 3.326 -6.151 -3.360 624 1HG2 THR 84 1HG2 THR 84 1.012 -3.555 -1.303 625 2HG2 THR 84 2HG2 THR 84 2.486 -2.970 -2.119 626 3HG2 THR 84 3HG2 THR 84 1.097 -3.538 -3.072 627 H VAL 85 H VAL 85 3.729 -2.962 -0.295 628 HA VAL 85 HA VAL 85 2.261 -3.097 2.270 629 HB VAL 85 HB VAL 85 5.074 -2.033 1.780 630 1HG1 VAL 85 1HG1 VAL 85 3.929 -0.435 3.253 631 2HG1 VAL 85 2HG1 VAL 85 3.367 -1.766 4.297 632 3HG1 VAL 85 3HG1 VAL 85 5.098 -1.377 4.168 633 1HG2 VAL 85 1HG2 VAL 85 4.098 -4.104 3.785 634 2HG2 VAL 85 2HG2 VAL 85 4.875 -4.510 2.235 635 3HG2 VAL 85 3HG2 VAL 85 5.765 -3.600 3.428 636 H ILE 86 H ILE 86 1.253 -1.190 2.731 637 HA ILE 86 HA ILE 86 1.141 0.921 0.645 638 HB ILE 86 HB ILE 86 -0.966 -0.500 2.340 639 1HG1 ILE 86 1HG1 ILE 86 -0.296 -1.703 0.230 640 2HG1 ILE 86 2HG1 ILE 86 -2.000 -1.243 0.277 641 1HG2 ILE 86 1HG2 ILE 86 -1.267 1.932 0.575 642 2HG2 ILE 86 2HG2 ILE 86 -2.655 0.971 1.108 643 3HG2 ILE 86 3HG2 ILE 86 -1.662 1.827 2.292 644 1HD1 ILE 86 1HD1 ILE 86 -0.816 -0.827 -1.950 645 2HD1 ILE 86 2HD1 ILE 86 -1.654 0.576 -1.263 646 3HD1 ILE 86 3HD1 ILE 86 0.103 0.426 -1.113 647 H ARG 87 H ARG 87 2.262 2.572 1.660 648 HA ARG 87 HA ARG 87 1.603 3.096 4.538 649 1HB ARG 87 1HB ARG 87 3.995 2.782 4.072 650 2HB ARG 87 2HB ARG 87 3.977 4.139 2.970 651 1HG ARG 87 1HG ARG 87 2.867 4.691 5.696 652 2HG ARG 87 2HG ARG 87 4.565 4.231 5.658 653 1HD ARG 87 1HD ARG 87 3.455 6.546 4.078 654 2HD ARG 87 2HD ARG 87 4.175 6.668 5.684 655 HE ARG 87 HE ARG 87 6.030 5.279 4.151 656 1HH1 ARG 87 2HH2 ARG 87 4.797 8.627 4.498 657 2HH1 ARG 87 1HH2 ARG 87 6.257 9.307 3.821 658 1HH2 ARG 87 2HH1 ARG 87 7.942 6.259 3.374 659 2HH2 ARG 87 1HH1 ARG 87 8.010 7.982 3.193 660 H ARG 88 H ARG 88 -0.453 3.915 4.106 661 HA ARG 88 HA ARG 88 -0.646 6.268 2.310 662 1HB ARG 88 1HB ARG 88 -2.562 4.836 2.154 663 2HB ARG 88 2HB ARG 88 -2.717 4.735 3.908 664 1HG ARG 88 1HG ARG 88 -4.420 6.163 2.989 665 2HG ARG 88 2HG ARG 88 -3.386 7.075 4.046 666 1HD ARG 88 1HD ARG 88 -2.375 7.316 1.356 667 2HD ARG 88 2HD ARG 88 -4.093 7.547 1.289 668 HE ARG 88 HE ARG 88 -2.119 9.239 2.747 669 1HH1 ARG 88 2HH2 ARG 88 -5.582 9.150 1.761 670 2HH1 ARG 88 1HH2 ARG 88 -5.518 10.759 1.140 671 1HH2 ARG 88 2HH1 ARG 88 -2.380 11.501 2.529 672 2HH2 ARG 88 1HH1 ARG 88 -3.716 12.061 1.548 673 H GLY 89 H GLY 89 0.245 8.080 3.247 674 1HA GLY 89 1HA GLY 89 0.735 8.517 5.951 675 2HA GLY 89 2HA GLY 89 0.612 9.772 4.718 676 H LYS 90 H LYS 90 -2.400 8.250 4.907 677 HA LYS 90 HA LYS 90 -3.637 10.311 6.565 678 1HB LYS 90 1HB LYS 90 -4.706 9.031 4.507 679 2HB LYS 90 2HB LYS 90 -4.949 7.722 5.657 680 1HG LYS 90 1HG LYS 90 -6.973 8.896 5.648 681 2HG LYS 90 2HG LYS 90 -6.168 9.460 7.121 682 1HD LYS 90 1HD LYS 90 -5.346 11.467 5.760 683 2HD LYS 90 2HD LYS 90 -6.366 10.893 4.423 684 1HE LYS 90 1HE LYS 90 -8.362 11.066 5.861 685 2HE LYS 90 2HE LYS 90 -7.339 11.506 7.241 686 1HZ LYS 90 1HZ LYS 90 -7.825 13.110 4.828 687 2HZ LYS 90 2HZ LYS 90 -8.238 13.467 6.394 688 3HZ LYS 90 3HZ LYS 90 -6.664 13.485 5.978 689 H LYS 91 H LYS 91 -2.763 6.834 6.783 690 HA LYS 91 HA LYS 91 -2.858 7.040 9.745 691 1HB LYS 91 1HB LYS 91 -4.863 5.896 9.315 692 2HB LYS 91 2HB LYS 91 -4.121 4.813 8.139 693 1HG LYS 91 1HG LYS 91 -2.997 3.574 9.759 694 2HG LYS 91 2HG LYS 91 -3.041 4.859 10.977 695 1HD LYS 91 1HD LYS 91 -5.208 4.341 11.638 696 2HD LYS 91 2HD LYS 91 -5.624 3.598 10.103 697 1HE LYS 91 1HE LYS 91 -3.916 1.763 10.620 698 2HE LYS 91 2HE LYS 91 -3.763 2.451 12.245 699 1HZ LYS 91 1HZ LYS 91 -6.125 1.978 12.569 700 2HZ LYS 91 2HZ LYS 91 -6.248 1.365 11.057 701 3HZ LYS 91 3HZ LYS 91 -5.322 0.608 12.184 702 H LYS 92 H LYS 92 -1.869 4.192 7.659 703 HA LYS 92 HA LYS 92 0.873 4.635 8.478 704 1HB LYS 92 1HB LYS 92 -0.773 3.729 10.432 705 2HB LYS 92 2HB LYS 92 -0.592 2.217 9.585 706 1HG LYS 92 1HG LYS 92 0.998 2.222 11.353 707 2HG LYS 92 2HG LYS 92 1.943 2.536 9.916 708 1HD LYS 92 1HD LYS 92 2.808 4.195 11.297 709 2HD LYS 92 2HD LYS 92 1.466 5.096 10.609 710 1HE LYS 92 1HE LYS 92 1.146 5.500 12.852 711 2HE LYS 92 2HE LYS 92 0.098 4.092 12.644 712 1HZ LYS 92 1HZ LYS 92 1.938 2.713 13.565 713 2HZ LYS 92 2HZ LYS 92 2.880 4.076 13.692 714 3HZ LYS 92 3HZ LYS 92 1.544 3.937 14.584 715 H TYR 93 H TYR 93 1.386 1.912 8.398 716 HA TYR 93 HA TYR 93 1.574 1.328 5.528 717 1HB TYR 93 1HB TYR 93 3.373 -0.312 6.696 718 2HB TYR 93 2HB TYR 93 3.687 1.222 5.951 719 HD1 TYR 93 1HD TYR 93 3.782 -0.621 9.068 720 HD2 TYR 93 2HD TYR 93 3.742 3.338 7.394 721 HE1 TYR 93 1HE TYR 93 4.864 0.261 11.098 722 HE2 TYR 93 2HE TYR 93 4.666 4.263 9.450 723 HH TYR 93 HH TYR 93 5.741 2.124 12.148 724 H TYR 94 H TYR 94 -0.492 0.299 5.282 725 HA TYR 94 HA TYR 94 -1.099 -2.083 6.915 726 1HB TYR 94 1HB TYR 94 -2.270 -0.894 4.374 727 2HB TYR 94 2HB TYR 94 -2.944 -2.166 5.336 728 HD1 TYR 94 1HD TYR 94 -4.359 -1.753 7.195 729 HD2 TYR 94 2HD TYR 94 -2.203 1.509 5.351 730 HE1 TYR 94 1HE TYR 94 -5.888 -0.153 8.232 731 HE2 TYR 94 2HE TYR 94 -3.736 3.130 6.429 732 HH TYR 94 HH TYR 94 -6.510 2.037 8.426 733 H LEU 95 H LEU 95 -1.285 -4.057 5.772 734 HA LEU 95 HA LEU 95 1.007 -4.371 3.889 735 1HB LEU 95 1HB LEU 95 1.341 -4.735 6.340 736 2HB LEU 95 2HB LEU 95 0.249 -6.115 6.227 737 HG LEU 95 HG LEU 95 2.870 -5.742 4.731 738 1HD1 LEU 95 1HD1 LEU 95 3.047 -6.025 7.232 739 2HD1 LEU 95 2HD1 LEU 95 2.275 -7.612 7.051 740 3HD1 LEU 95 3HD1 LEU 95 3.831 -7.270 6.270 741 1HD2 LEU 95 1HD2 LEU 95 1.827 -7.303 3.375 742 2HD2 LEU 95 2HD2 LEU 95 2.577 -8.356 4.584 743 3HD2 LEU 95 3HD2 LEU 95 0.858 -7.987 4.713 744 H ILE 96 H ILE 96 0.687 -5.703 2.231 745 HA ILE 96 HA ILE 96 -2.074 -6.823 1.911 746 HB ILE 96 HB ILE 96 -0.439 -5.423 -0.221 747 1HG1 ILE 96 1HG1 ILE 96 -1.127 -3.705 1.425 748 2HG1 ILE 96 2HG1 ILE 96 -1.950 -3.526 -0.106 749 1HG2 ILE 96 1HG2 ILE 96 -1.996 -7.121 -1.074 750 2HG2 ILE 96 2HG2 ILE 96 -3.336 -6.385 -0.199 751 3HG2 ILE 96 3HG2 ILE 96 -2.531 -5.501 -1.513 752 1HD1 ILE 96 1HD1 ILE 96 -4.014 -4.453 0.826 753 2HD1 ILE 96 2HD1 ILE 96 -3.196 -4.769 2.375 754 3HD1 ILE 96 3HD1 ILE 96 -3.420 -3.106 1.806 755 H ARG 97 H ARG 97 -1.999 -8.968 1.613 756 HA ARG 97 HA ARG 97 0.225 -10.073 0.087 757 1HB ARG 97 1HB ARG 97 -0.077 -12.082 1.673 758 2HB ARG 97 2HB ARG 97 0.965 -10.721 2.062 759 1HG ARG 97 1HG ARG 97 -0.864 -9.857 3.588 760 2HG ARG 97 2HG ARG 97 -1.720 -11.392 3.285 761 1HD ARG 97 1HD ARG 97 0.512 -12.498 4.017 762 2HD ARG 97 2HD ARG 97 0.973 -10.901 4.596 763 HE ARG 97 HE ARG 97 -0.607 -10.985 6.310 764 1HH1 ARG 97 2HH2 ARG 97 -0.451 -14.078 4.616 765 2HH1 ARG 97 1HH2 ARG 97 -1.758 -14.816 5.468 766 1HH2 ARG 97 2HH1 ARG 97 -1.677 -12.202 7.913 767 2HH2 ARG 97 1HH1 ARG 97 -2.139 -13.847 7.583 768 H TYR 98 H TYR 98 -0.341 -12.382 -0.638 769 HA TYR 98 HA TYR 98 -2.976 -12.405 -1.820 770 1HB TYR 98 1HB TYR 98 -0.300 -12.913 -3.098 771 2HB TYR 98 2HB TYR 98 -1.817 -12.693 -3.843 772 HD1 TYR 98 1HD TYR 98 0.760 -10.789 -1.905 773 HD2 TYR 98 2HD TYR 98 -2.471 -10.541 -4.731 774 HE1 TYR 98 1HE TYR 98 0.943 -8.334 -1.882 775 HE2 TYR 98 2HE TYR 98 -2.208 -8.111 -4.800 776 HH TYR 98 HH TYR 98 -1.198 -6.248 -3.902 777 H ALA 99 H ALA 99 -3.415 -14.351 -2.491 778 HA ALA 99 HA ALA 99 -2.583 -16.806 -1.317 779 1HB ALA 99 1HB ALA 99 -4.837 -16.469 -2.213 780 2HB ALA 99 2HB ALA 99 -4.172 -16.334 -3.867 781 3HB ALA 99 3HB ALA 99 -4.078 -17.864 -2.994 Start of MODEL 18 1 1H ALA 1 1H ALA 1 12.895 -15.122 4.135 2 2H ALA 1 2H ALA 1 11.527 -14.805 3.271 3 3H ALA 1 3H ALA 1 11.578 -16.116 4.275 4 HA ALA 1 HA ALA 1 13.236 -17.134 2.967 5 1HB ALA 1 1HB ALA 1 10.928 -16.175 1.221 6 2HB ALA 1 2HB ALA 1 11.929 -17.624 0.964 7 3HB ALA 1 3HB ALA 1 10.857 -17.535 2.367 8 H LEU 2 H LEU 2 14.790 -17.057 1.453 9 HA LEU 2 HA LEU 2 16.032 -14.564 0.796 10 1HB LEU 2 1HB LEU 2 16.405 -17.405 -0.253 11 2HB LEU 2 2HB LEU 2 17.479 -16.070 -0.651 12 HG LEU 2 HG LEU 2 16.988 -17.066 2.186 13 1HD1 LEU 2 1HD1 LEU 2 19.137 -18.187 2.022 14 2HD1 LEU 2 2HD1 LEU 2 18.057 -18.787 0.756 15 3HD1 LEU 2 3HD1 LEU 2 19.342 -17.633 0.344 16 1HD2 LEU 2 1HD2 LEU 2 19.107 -15.195 1.043 17 2HD2 LEU 2 2HD2 LEU 2 17.771 -14.728 2.111 18 3HD2 LEU 2 3HD2 LEU 2 19.046 -15.794 2.709 19 H PHE 3 H PHE 3 14.634 -13.220 -0.392 20 HA PHE 3 HA PHE 3 14.549 -13.655 -3.200 21 1HB PHE 3 1HB PHE 3 12.408 -14.869 -1.926 22 2HB PHE 3 2HB PHE 3 11.764 -13.263 -2.139 23 HD1 PHE 3 1HD PHE 3 10.129 -13.570 -3.819 24 HD2 PHE 3 2HD PHE 3 14.032 -15.319 -4.424 25 HE1 PHE 3 1HE PHE 3 9.498 -14.210 -6.134 26 HE2 PHE 3 2HE PHE 3 13.400 -15.911 -6.732 27 HZ PHE 3 HZ PHE 3 11.143 -15.388 -7.585 28 H SER 4 H SER 4 12.539 -11.605 -3.749 29 HA SER 4 HA SER 4 12.413 -9.445 -4.002 30 1HB SER 4 1HB SER 4 13.175 -9.097 -1.124 31 2HB SER 4 2HB SER 4 12.261 -7.999 -2.154 32 HG SER 4 HG SER 4 10.930 -10.165 -2.424 33 H GLY 5 H GLY 5 14.104 -9.940 -5.457 34 1HA GLY 5 1HA GLY 5 16.764 -8.876 -5.123 35 2HA GLY 5 2HA GLY 5 15.872 -9.113 -6.638 36 H ASP 6 H ASP 6 13.587 -7.472 -5.709 37 HA ASP 6 HA ASP 6 14.466 -4.874 -6.610 38 1HB ASP 6 1HB ASP 6 11.883 -5.985 -5.438 39 2HB ASP 6 2HB ASP 6 12.064 -4.261 -5.738 40 H ILE 7 H ILE 7 12.569 -5.474 -3.716 41 HA ILE 7 HA ILE 7 13.906 -3.266 -2.411 42 HB ILE 7 HB ILE 7 12.072 -3.506 -0.790 43 1HG1 ILE 7 1HG1 ILE 7 11.369 -5.822 -1.177 44 2HG1 ILE 7 2HG1 ILE 7 10.055 -4.653 -1.213 45 1HG2 ILE 7 1HG2 ILE 7 12.160 -1.828 -2.576 46 2HG2 ILE 7 2HG2 ILE 7 11.254 -2.900 -3.650 47 3HG2 ILE 7 3HG2 ILE 7 10.515 -2.274 -2.153 48 1HD1 ILE 7 1HD1 ILE 7 10.173 -4.908 -3.790 49 2HD1 ILE 7 2HD1 ILE 7 11.211 -6.331 -3.433 50 3HD1 ILE 7 3HD1 ILE 7 9.605 -6.268 -2.805 51 H ALA 8 H ALA 8 15.671 -4.470 -2.313 52 HA ALA 8 HA ALA 8 16.218 -6.368 -0.118 53 1HB ALA 8 1HB ALA 8 17.720 -6.130 -2.142 54 2HB ALA 8 2HB ALA 8 18.268 -4.577 -1.459 55 3HB ALA 8 3HB ALA 8 18.547 -6.082 -0.573 56 H ASN 9 H ASN 9 14.929 -3.402 0.212 57 HA ASN 9 HA ASN 9 16.420 -2.717 2.685 58 1HB ASN 9 1HB ASN 9 14.663 -1.132 0.759 59 2HB ASN 9 2HB ASN 9 14.631 -0.758 2.469 60 1HD2 ASN 9 1HD2 ASN 9 17.394 -1.725 0.399 61 2HD2 ASN 9 2HD2 ASN 9 18.320 -0.267 0.682 62 H LEU 10 H LEU 10 13.787 -4.419 1.233 63 HA LEU 10 HA LEU 10 12.465 -4.840 3.750 64 1HB LEU 10 1HB LEU 10 10.337 -3.940 3.247 65 2HB LEU 10 2HB LEU 10 11.562 -2.742 3.541 66 HG LEU 10 HG LEU 10 10.271 -3.213 0.801 67 1HD1 LEU 10 1HD1 LEU 10 8.879 -2.299 2.786 68 2HD1 LEU 10 2HD1 LEU 10 9.906 -0.872 2.656 69 3HD1 LEU 10 3HD1 LEU 10 8.935 -1.387 1.269 70 1HD2 LEU 10 1HD2 LEU 10 12.082 -0.966 1.861 71 2HD2 LEU 10 2HD2 LEU 10 12.622 -2.189 0.726 72 3HD2 LEU 10 3HD2 LEU 10 11.366 -1.079 0.237 73 H THR 11 H THR 11 13.190 -6.985 3.064 74 HA THR 11 HA THR 11 12.195 -8.258 0.761 75 HB THR 11 HB THR 11 13.020 -9.777 3.161 76 HG1 THR 11 1HG THR 11 15.304 -8.780 2.281 77 1HG2 THR 11 1HG2 THR 11 14.419 -9.683 0.491 78 2HG2 THR 11 2HG2 THR 11 14.523 -10.939 1.730 79 3HG2 THR 11 3HG2 THR 11 13.016 -10.729 0.821 80 H ALA 12 H ALA 12 11.020 -10.430 1.308 81 HA ALA 12 HA ALA 12 8.353 -9.763 2.355 82 1HB ALA 12 1HB ALA 12 7.862 -12.193 1.931 83 2HB ALA 12 2HB ALA 12 8.514 -11.331 0.523 84 3HB ALA 12 3HB ALA 12 9.566 -12.409 1.454 85 H ALA 13 H ALA 13 10.797 -11.909 3.783 86 HA ALA 13 HA ALA 13 9.271 -12.231 6.197 87 1HB ALA 13 1HB ALA 13 12.272 -12.415 5.678 88 2HB ALA 13 2HB ALA 13 11.506 -12.865 7.207 89 3HB ALA 13 3HB ALA 13 11.097 -13.750 5.728 90 H GLU 14 H GLU 14 11.329 -9.643 5.009 91 HA GLU 14 HA GLU 14 11.843 -8.333 7.516 92 1HB GLU 14 1HB GLU 14 12.896 -8.254 4.932 93 2HB GLU 14 2HB GLU 14 11.880 -6.828 4.931 94 1HG GLU 14 1HG GLU 14 13.871 -5.945 5.704 95 2HG GLU 14 2HG GLU 14 13.068 -6.283 7.240 96 H ILE 15 H ILE 15 9.541 -8.106 4.835 97 HA ILE 15 HA ILE 15 8.181 -5.783 5.750 98 HB ILE 15 HB ILE 15 7.683 -7.869 3.548 99 1HG1 ILE 15 1HG1 ILE 15 7.860 -4.856 3.457 100 2HG1 ILE 15 2HG1 ILE 15 9.275 -5.886 3.395 101 1HG2 ILE 15 1HG2 ILE 15 5.472 -7.503 4.475 102 2HG2 ILE 15 2HG2 ILE 15 5.719 -5.741 4.494 103 3HG2 ILE 15 3HG2 ILE 15 5.618 -6.636 2.957 104 1HD1 ILE 15 1HD1 ILE 15 8.481 -5.263 1.114 105 2HD1 ILE 15 2HD1 ILE 15 8.552 -7.012 1.404 106 3HD1 ILE 15 3HD1 ILE 15 6.997 -6.181 1.384 107 H GLU 16 H GLU 16 7.546 -9.316 5.974 108 HA GLU 16 HA GLU 16 5.252 -9.032 7.601 109 1HB GLU 16 1HB GLU 16 7.430 -11.127 7.948 110 2HB GLU 16 2HB GLU 16 5.867 -11.126 8.762 111 1HG GLU 16 1HG GLU 16 4.896 -11.013 6.290 112 2HG GLU 16 2HG GLU 16 6.496 -11.678 5.882 113 H GLN 17 H GLN 17 8.672 -9.148 8.933 114 HA GLN 17 HA GLN 17 7.518 -8.714 11.609 115 1HB GLN 17 1HB GLN 17 10.428 -8.477 10.736 116 2HB GLN 17 2HB GLN 17 9.817 -8.511 12.393 117 1HG GLN 17 1HG GLN 17 9.877 -10.746 10.373 118 2HG GLN 17 2HG GLN 17 10.680 -10.685 11.926 119 1HE2 GLN 17 1HE2 GLN 17 8.439 -12.436 10.526 120 2HE2 GLN 17 2HE2 GLN 17 7.292 -12.690 11.799 121 H GLY 18 H GLY 18 8.710 -6.785 8.958 122 1HA GLY 18 1HA GLY 18 9.449 -4.475 10.311 123 2HA GLY 18 2HA GLY 18 9.085 -4.624 8.585 124 H PHE 19 H PHE 19 6.396 -5.706 8.972 125 HA PHE 19 HA PHE 19 5.069 -3.138 9.711 126 1HB PHE 19 1HB PHE 19 4.556 -5.159 7.519 127 2HB PHE 19 2HB PHE 19 3.406 -3.913 7.970 128 HD1 PHE 19 1HD PHE 19 3.555 -1.766 7.036 129 HD2 PHE 19 2HD PHE 19 7.043 -4.287 6.937 130 HE1 PHE 19 1HE PHE 19 4.867 0.032 5.890 131 HE2 PHE 19 2HE PHE 19 8.343 -2.485 5.889 132 HZ PHE 19 HZ PHE 19 7.273 -0.282 5.448 133 H LYS 20 H LYS 20 5.385 -6.184 10.950 134 HA LYS 20 HA LYS 20 2.808 -6.944 11.633 135 1HB LYS 20 1HB LYS 20 5.497 -7.725 12.328 136 2HB LYS 20 2HB LYS 20 4.586 -7.636 13.817 137 1HG LYS 20 1HG LYS 20 2.887 -9.188 12.933 138 2HG LYS 20 2HG LYS 20 3.676 -9.186 11.356 139 1HD LYS 20 1HD LYS 20 4.260 -11.217 12.517 140 2HD LYS 20 2HD LYS 20 5.695 -10.202 12.319 141 1HE LYS 20 1HE LYS 20 5.361 -9.373 14.683 142 2HE LYS 20 2HE LYS 20 3.998 -10.488 14.847 143 1HZ LYS 20 1HZ LYS 20 6.827 -11.261 14.372 144 2HZ LYS 20 2HZ LYS 20 5.998 -11.378 15.784 145 3HZ LYS 20 3HZ LYS 20 5.576 -12.326 14.526 146 H ASP 21 H ASP 21 3.817 -4.027 12.606 147 HA ASP 21 HA ASP 21 2.552 -3.972 15.296 148 1HB ASP 21 1HB ASP 21 4.482 -2.477 14.676 149 2HB ASP 21 2HB ASP 21 3.439 -1.696 13.476 150 H VAL 22 H VAL 22 1.650 -3.827 11.948 151 HA VAL 22 HA VAL 22 -1.154 -3.355 12.662 152 HB VAL 22 HB VAL 22 -0.355 -1.398 11.594 153 1HG1 VAL 22 1HG1 VAL 22 1.710 -2.083 10.527 154 2HG1 VAL 22 2HG1 VAL 22 0.827 -3.150 9.400 155 3HG1 VAL 22 3HG1 VAL 22 0.694 -1.392 9.296 156 1HG2 VAL 22 1HG2 VAL 22 -2.547 -1.981 10.840 157 2HG2 VAL 22 2HG2 VAL 22 -1.656 -1.109 9.605 158 3HG2 VAL 22 3HG2 VAL 22 -1.856 -2.857 9.435 159 HA PRO 23 HA PRO 23 -1.064 -7.319 10.512 160 1HB PRO 23 1HB PRO 23 -3.629 -7.898 10.085 161 2HB PRO 23 2HB PRO 23 -3.017 -7.670 11.747 162 1HG PRO 23 1HG PRO 23 -4.514 -5.676 10.029 163 2HG PRO 23 2HG PRO 23 -4.754 -6.091 11.750 164 1HD PRO 23 1HD PRO 23 -3.260 -3.965 10.737 165 2HD PRO 23 2HD PRO 23 -3.033 -4.565 12.392 166 H SER 24 H SER 24 -2.050 -8.334 8.468 167 HA SER 24 HA SER 24 -1.680 -6.401 6.226 168 1HB SER 24 1HB SER 24 -0.994 -8.500 4.920 169 2HB SER 24 2HB SER 24 0.097 -7.961 6.199 170 HG SER 24 HG SER 24 -0.488 -9.514 7.512 171 H PHE 25 H PHE 25 -2.783 -7.399 4.131 172 HA PHE 25 HA PHE 25 -5.312 -8.831 4.810 173 1HB PHE 25 1HB PHE 25 -5.927 -6.614 4.218 174 2HB PHE 25 2HB PHE 25 -4.774 -6.589 2.880 175 HD1 PHE 25 1HD PHE 25 -5.361 -7.213 0.699 176 HD2 PHE 25 2HD PHE 25 -7.985 -8.247 3.975 177 HE1 PHE 25 1HE PHE 25 -7.080 -7.959 -0.898 178 HE2 PHE 25 2HE PHE 25 -9.689 -8.996 2.354 179 HZ PHE 25 HZ PHE 25 -9.232 -8.903 -0.067 180 H VAL 26 H VAL 26 -5.960 -10.285 3.025 181 HA VAL 26 HA VAL 26 -3.901 -10.905 1.107 182 HB VAL 26 HB VAL 26 -3.590 -12.245 3.184 183 1HG1 VAL 26 1HG1 VAL 26 -6.053 -13.777 2.313 184 2HG1 VAL 26 2HG1 VAL 26 -4.970 -14.146 3.664 185 3HG1 VAL 26 3HG1 VAL 26 -5.974 -12.679 3.713 186 1HG2 VAL 26 1HG2 VAL 26 -3.125 -14.331 1.958 187 2HG2 VAL 26 2HG2 VAL 26 -4.180 -13.811 0.635 188 3HG2 VAL 26 3HG2 VAL 26 -2.678 -12.928 0.985 189 H HIS 27 H HIS 27 -4.907 -11.137 -0.941 190 HA HIS 27 HA HIS 27 -7.609 -12.394 -0.857 191 1HB HIS 27 1HB HIS 27 -8.199 -11.168 -2.852 192 2HB HIS 27 2HB HIS 27 -7.953 -10.179 -1.447 193 HD1 HIS 27 1HD HIS 27 -7.871 -8.277 -3.373 194 HD2 HIS 27 2HD HIS 27 -4.593 -10.887 -2.995 195 HE1 HIS 27 1HE HIS 27 -5.878 -7.162 -4.520 196 H GLU 28 H GLU 28 -7.941 -13.070 -3.392 197 HA GLU 28 HA GLU 28 -6.327 -15.532 -3.236 198 1HB GLU 28 1HB GLU 28 -8.903 -14.902 -4.709 199 2HB GLU 28 2HB GLU 28 -8.127 -16.485 -4.662 200 1HG GLU 28 1HG GLU 28 -9.062 -16.991 -2.727 201 2HG GLU 28 2HG GLU 28 -8.336 -15.604 -1.937 202 H GLY 29 H GLY 29 -4.666 -13.585 -4.350 203 1HA GLY 29 1HA GLY 29 -3.497 -12.876 -6.202 204 2HA GLY 29 2HA GLY 29 -3.730 -14.513 -6.801 205 H GLY 30 H GLY 30 -3.583 -13.047 -8.908 206 1HA GLY 30 1HA GLY 30 -4.707 -12.295 -10.767 207 2HA GLY 30 2HA GLY 30 -6.262 -12.560 -9.959 208 H ASP 31 H ASP 31 -4.815 -10.214 -11.415 209 HA ASP 31 HA ASP 31 -4.099 -8.294 -9.492 210 1HB ASP 31 1HB ASP 31 -3.822 -6.751 -11.194 211 2HB ASP 31 2HB ASP 31 -3.296 -8.306 -11.794 212 H VAL 32 H VAL 32 -4.936 -6.255 -8.858 213 HA VAL 32 HA VAL 32 -7.791 -5.800 -9.072 214 HB VAL 32 HB VAL 32 -6.344 -6.801 -6.691 215 1HG1 VAL 32 1HG1 VAL 32 -8.143 -6.268 -5.110 216 2HG1 VAL 32 2HG1 VAL 32 -7.561 -4.773 -5.832 217 3HG1 VAL 32 3HG1 VAL 32 -9.087 -5.507 -6.386 218 1HG2 VAL 32 1HG2 VAL 32 -9.032 -7.604 -7.865 219 2HG2 VAL 32 2HG2 VAL 32 -7.543 -8.553 -7.849 220 3HG2 VAL 32 3HG2 VAL 32 -8.402 -8.257 -6.338 221 HA PRO 33 HA PRO 33 -5.992 -1.834 -8.961 222 1HB PRO 33 1HB PRO 33 -8.102 -0.209 -8.485 223 2HB PRO 33 2HB PRO 33 -7.886 -1.100 -10.020 224 1HG PRO 33 1HG PRO 33 -9.555 -1.864 -7.647 225 2HG PRO 33 2HG PRO 33 -10.036 -1.886 -9.370 226 1HD PRO 33 1HD PRO 33 -9.187 -4.147 -8.040 227 2HD PRO 33 2HD PRO 33 -8.775 -3.894 -9.753 228 H LEU 34 H LEU 34 -4.849 -0.575 -7.581 229 HA LEU 34 HA LEU 34 -4.747 -0.901 -4.953 230 1HB LEU 34 1HB LEU 34 -3.995 1.468 -4.678 231 2HB LEU 34 2HB LEU 34 -3.073 0.243 -5.498 232 HG LEU 34 HG LEU 34 -3.044 1.244 -7.470 233 1HD1 LEU 34 1HD1 LEU 34 -5.225 1.480 -8.236 234 2HD1 LEU 34 2HD1 LEU 34 -5.692 2.522 -6.889 235 3HD1 LEU 34 3HD1 LEU 34 -4.636 3.137 -8.179 236 1HD2 LEU 34 1HD2 LEU 34 -2.274 3.339 -7.282 237 2HD2 LEU 34 2HD2 LEU 34 -3.288 3.753 -5.904 238 3HD2 LEU 34 3HD2 LEU 34 -1.955 2.585 -5.727 239 H VAL 35 H VAL 35 -7.303 1.001 -6.435 240 HA VAL 35 HA VAL 35 -8.397 1.942 -3.915 241 HB VAL 35 HB VAL 35 -8.500 3.339 -5.826 242 1HG1 VAL 35 1HG1 VAL 35 -9.930 2.769 -7.834 243 2HG1 VAL 35 2HG1 VAL 35 -8.404 1.913 -7.717 244 3HG1 VAL 35 3HG1 VAL 35 -9.927 1.089 -7.270 245 1HG2 VAL 35 1HG2 VAL 35 -10.766 4.008 -5.975 246 2HG2 VAL 35 2HG2 VAL 35 -11.356 2.442 -5.409 247 3HG2 VAL 35 3HG2 VAL 35 -10.441 3.500 -4.306 248 H GLU 36 H GLU 36 -8.721 -1.142 -5.428 249 HA GLU 36 HA GLU 36 -11.145 -1.591 -3.731 250 1HB GLU 36 1HB GLU 36 -9.972 -3.312 -5.914 251 2HB GLU 36 2HB GLU 36 -11.265 -3.813 -4.836 252 1HG GLU 36 1HG GLU 36 -11.497 -1.383 -6.665 253 2HG GLU 36 2HG GLU 36 -11.941 -3.012 -7.152 254 H LEU 37 H LEU 37 -7.563 -2.227 -3.999 255 HA LEU 37 HA LEU 37 -7.827 -4.567 -2.264 256 1HB LEU 37 1HB LEU 37 -5.451 -4.766 -2.323 257 2HB LEU 37 2HB LEU 37 -6.042 -4.522 -3.960 258 HG LEU 37 HG LEU 37 -5.513 -2.013 -3.469 259 1HD1 LEU 37 1HD1 LEU 37 -3.733 -1.421 -2.083 260 2HD1 LEU 37 2HD1 LEU 37 -4.684 -2.471 -1.023 261 3HD1 LEU 37 3HD1 LEU 37 -3.251 -3.097 -1.833 262 1HD2 LEU 37 1HD2 LEU 37 -3.327 -4.042 -4.018 263 2HD2 LEU 37 2HD2 LEU 37 -4.432 -3.330 -5.213 264 3HD2 LEU 37 3HD2 LEU 37 -3.212 -2.330 -4.409 265 H LEU 38 H LEU 38 -7.270 -1.002 -1.961 266 HA LEU 38 HA LEU 38 -6.407 -1.417 0.661 267 1HB LEU 38 1HB LEU 38 -5.931 0.766 0.775 268 2HB LEU 38 2HB LEU 38 -6.071 0.685 -0.953 269 HG LEU 38 HG LEU 38 -8.369 1.540 0.897 270 1HD1 LEU 38 1HD1 LEU 38 -7.048 3.228 1.369 271 2HD1 LEU 38 2HD1 LEU 38 -6.060 3.072 -0.082 272 3HD1 LEU 38 3HD1 LEU 38 -7.658 3.860 -0.156 273 1HD2 LEU 38 1HD2 LEU 38 -9.642 1.467 -0.905 274 2HD2 LEU 38 2HD2 LEU 38 -8.635 2.653 -1.706 275 3HD2 LEU 38 3HD2 LEU 38 -8.299 0.933 -1.911 276 H VAL 39 H VAL 39 -9.433 -0.979 -0.937 277 HA VAL 39 HA VAL 39 -11.079 -0.208 1.278 278 HB VAL 39 HB VAL 39 -11.097 -0.390 -1.521 279 1HG1 VAL 39 1HG1 VAL 39 -13.287 -1.285 -2.146 280 2HG1 VAL 39 2HG1 VAL 39 -12.238 -2.570 -1.612 281 3HG1 VAL 39 3HG1 VAL 39 -13.494 -1.975 -0.521 282 1HG2 VAL 39 1HG2 VAL 39 -13.436 0.493 0.168 283 2HG2 VAL 39 2HG2 VAL 39 -11.979 1.445 -0.204 284 3HG2 VAL 39 3HG2 VAL 39 -13.040 0.965 -1.502 285 H SER 40 H SER 40 -10.368 -3.137 -0.456 286 HA SER 40 HA SER 40 -11.849 -5.023 1.058 287 1HB SER 40 1HB SER 40 -10.871 -5.141 -1.337 288 2HB SER 40 2HB SER 40 -9.320 -5.528 -0.572 289 HG SER 40 HG SER 40 -10.409 -7.350 -1.201 290 H ALA 41 H ALA 41 -8.418 -3.765 1.160 291 HA ALA 41 HA ALA 41 -7.851 -5.541 3.399 292 1HB ALA 41 1HB ALA 41 -5.657 -4.346 3.421 293 2HB ALA 41 2HB ALA 41 -6.121 -5.007 1.832 294 3HB ALA 41 3HB ALA 41 -6.272 -3.301 2.123 295 H GLY 42 H GLY 42 -9.088 -2.233 3.257 296 1HA GLY 42 1HA GLY 42 -10.492 -1.545 5.046 297 2HA GLY 42 2HA GLY 42 -9.582 -2.566 6.168 298 H ILE 43 H ILE 43 -8.030 -0.531 3.797 299 HA ILE 43 HA ILE 43 -6.631 1.099 5.777 300 HB ILE 43 HB ILE 43 -6.821 0.931 2.767 301 1HG1 ILE 43 1HG1 ILE 43 -4.459 0.276 2.671 302 2HG1 ILE 43 2HG1 ILE 43 -4.295 0.393 4.408 303 1HG2 ILE 43 1HG2 ILE 43 -6.298 3.345 3.476 304 2HG2 ILE 43 2HG2 ILE 43 -4.891 2.738 4.357 305 3HG2 ILE 43 3HG2 ILE 43 -4.960 2.608 2.589 306 1HD1 ILE 43 1HD1 ILE 43 -5.788 -1.515 4.705 307 2HD1 ILE 43 2HD1 ILE 43 -6.190 -1.452 2.984 308 3HD1 ILE 43 3HD1 ILE 43 -4.547 -1.920 3.508 309 H SER 44 H SER 44 -9.243 1.493 3.184 310 HA SER 44 HA SER 44 -10.630 3.454 4.832 311 1HB SER 44 1HB SER 44 -9.266 4.243 2.236 312 2HB SER 44 2HB SER 44 -10.735 5.043 2.834 313 HG SER 44 HG SER 44 -8.645 5.988 3.479 314 HA PRO 45 HA PRO 45 -13.251 0.705 2.417 315 1HB PRO 45 1HB PRO 45 -15.486 0.733 3.942 316 2HB PRO 45 2HB PRO 45 -13.974 -0.070 4.500 317 1HG PRO 45 1HG PRO 45 -14.980 2.713 5.193 318 2HG PRO 45 2HG PRO 45 -14.425 1.436 6.315 319 1HD PRO 45 1HD PRO 45 -12.773 3.433 5.423 320 2HD PRO 45 2HD PRO 45 -12.162 1.782 5.732 321 H SER 46 H SER 46 -13.674 4.071 2.942 322 HA SER 46 HA SER 46 -16.456 4.104 1.929 323 1HB SER 46 1HB SER 46 -15.409 5.520 3.934 324 2HB SER 46 2HB SER 46 -14.977 6.600 2.595 325 HG SER 46 HG SER 46 -17.529 5.641 3.391 326 H LYS 47 H LYS 47 -16.692 4.183 -0.284 327 HA LYS 47 HA LYS 47 -14.437 3.917 -1.822 328 1HB LYS 47 1HB LYS 47 -17.168 3.645 -2.304 329 2HB LYS 47 2HB LYS 47 -16.708 4.923 -3.428 330 1HG LYS 47 1HG LYS 47 -16.416 2.882 -4.621 331 2HG LYS 47 2HG LYS 47 -14.784 3.397 -4.180 332 1HD LYS 47 1HD LYS 47 -14.950 1.850 -2.156 333 2HD LYS 47 2HD LYS 47 -16.487 1.269 -2.768 334 1HE LYS 47 1HE LYS 47 -14.244 1.256 -4.748 335 2HE LYS 47 2HE LYS 47 -13.993 0.204 -3.357 336 1HZ LYS 47 1HZ LYS 47 -15.068 -0.923 -5.157 337 2HZ LYS 47 2HZ LYS 47 -15.988 -0.942 -3.831 338 3HZ LYS 47 3HZ LYS 47 -16.381 0.078 -5.090 339 H ARG 48 H ARG 48 -16.025 7.066 -1.261 340 HA ARG 48 HA ARG 48 -14.437 8.402 -3.304 341 1HB ARG 48 1HB ARG 48 -16.653 9.170 -2.340 342 2HB ARG 48 2HB ARG 48 -15.814 9.629 -0.857 343 1HG ARG 48 1HG ARG 48 -14.801 10.660 -3.508 344 2HG ARG 48 2HG ARG 48 -16.305 11.327 -2.863 345 1HD ARG 48 1HD ARG 48 -15.217 12.105 -0.853 346 2HD ARG 48 2HD ARG 48 -13.704 11.303 -1.311 347 HE ARG 48 HE ARG 48 -14.346 12.951 -3.448 348 1HH1 ARG 48 2HH2 ARG 48 -13.605 13.498 0.006 349 2HH1 ARG 48 1HH2 ARG 48 -12.891 15.058 -0.249 350 1HH2 ARG 48 2HH1 ARG 48 -13.223 14.927 -3.798 351 2HH2 ARG 48 1HH1 ARG 48 -12.524 15.787 -2.493 352 H GLN 49 H GLN 49 -14.098 7.713 0.200 353 HA GLN 49 HA GLN 49 -11.808 9.412 0.533 354 1HB GLN 49 1HB GLN 49 -13.389 8.223 2.366 355 2HB GLN 49 2HB GLN 49 -12.306 6.851 2.155 356 1HG GLN 49 1HG GLN 49 -11.634 8.258 4.073 357 2HG GLN 49 2HG GLN 49 -10.383 8.196 2.832 358 1HE2 GLN 49 1HE2 GLN 49 -9.638 10.145 1.989 359 2HE2 GLN 49 2HE2 GLN 49 -10.462 11.684 2.154 360 H ALA 50 H ALA 50 -12.290 5.974 0.085 361 HA ALA 50 HA ALA 50 -9.749 5.051 -0.074 362 1HB ALA 50 1HB ALA 50 -10.801 3.245 -1.525 363 2HB ALA 50 2HB ALA 50 -11.782 3.661 -0.095 364 3HB ALA 50 3HB ALA 50 -12.217 4.254 -1.702 365 H ARG 51 H ARG 51 -11.801 6.263 -2.770 366 HA ARG 51 HA ARG 51 -9.954 6.039 -4.811 367 1HB ARG 51 1HB ARG 51 -12.308 7.903 -4.359 368 2HB ARG 51 2HB ARG 51 -11.258 8.161 -5.752 369 1HG ARG 51 1HG ARG 51 -11.642 5.960 -6.594 370 2HG ARG 51 2HG ARG 51 -12.592 5.488 -5.184 371 1HD ARG 51 1HD ARG 51 -14.314 7.125 -5.732 372 2HD ARG 51 2HD ARG 51 -13.359 7.758 -7.070 373 HE ARG 51 HE ARG 51 -15.102 5.516 -7.086 374 1HH1 ARG 51 2HH2 ARG 51 -12.174 6.708 -8.746 375 2HH1 ARG 51 1HH2 ARG 51 -12.050 5.297 -9.768 376 1HH2 ARG 51 2HH1 ARG 51 -15.079 3.845 -8.650 377 2HH2 ARG 51 1HH1 ARG 51 -13.930 3.878 -9.943 378 H GLU 52 H GLU 52 -10.346 8.790 -2.579 379 HA GLU 52 HA GLU 52 -8.142 10.141 -4.083 380 1HB GLU 52 1HB GLU 52 -10.005 11.424 -2.914 381 2HB GLU 52 2HB GLU 52 -9.358 10.829 -1.375 382 1HG GLU 52 1HG GLU 52 -7.233 12.062 -1.744 383 2HG GLU 52 2HG GLU 52 -7.783 12.583 -3.319 384 H ASP 53 H ASP 53 -8.408 8.161 -1.139 385 HA ASP 53 HA ASP 53 -5.801 8.643 -0.184 386 1HB ASP 53 1HB ASP 53 -8.003 6.545 0.065 387 2HB ASP 53 2HB ASP 53 -6.428 6.180 0.623 388 H ILE 54 H ILE 54 -7.061 6.893 -2.851 389 HA ILE 54 HA ILE 54 -4.472 5.685 -3.294 390 HB ILE 54 HB ILE 54 -7.199 5.182 -4.291 391 1HG1 ILE 54 1HG1 ILE 54 -6.142 2.971 -4.709 392 2HG1 ILE 54 2HG1 ILE 54 -4.570 3.650 -4.261 393 1HG2 ILE 54 1HG2 ILE 54 -6.691 4.371 -6.541 394 2HG2 ILE 54 2HG2 ILE 54 -6.516 6.087 -6.445 395 3HG2 ILE 54 3HG2 ILE 54 -5.062 5.078 -6.457 396 1HD1 ILE 54 1HD1 ILE 54 -6.956 3.722 -2.444 397 2HD1 ILE 54 2HD1 ILE 54 -5.771 2.389 -2.450 398 3HD1 ILE 54 3HD1 ILE 54 -5.261 4.028 -2.021 399 H GLN 55 H GLN 55 -6.457 8.108 -5.087 400 HA GLN 55 HA GLN 55 -4.299 8.412 -6.975 401 1HB GLN 55 1HB GLN 55 -6.917 9.790 -6.424 402 2HB GLN 55 2HB GLN 55 -5.746 10.586 -7.478 403 1HG GLN 55 1HG GLN 55 -5.656 8.792 -9.019 404 2HG GLN 55 2HG GLN 55 -6.442 7.671 -7.924 405 1HE2 GLN 55 1HE2 GLN 55 -7.010 10.121 -10.332 406 2HE2 GLN 55 2HE2 GLN 55 -8.772 9.999 -10.310 407 H ASN 56 H ASN 56 -4.557 9.506 -3.775 408 HA ASN 56 HA ASN 56 -2.846 11.774 -4.378 409 1HB ASN 56 1HB ASN 56 -4.009 10.673 -1.819 410 2HB ASN 56 2HB ASN 56 -2.404 11.354 -1.671 411 1HD2 ASN 56 1HD2 ASN 56 -5.534 12.207 -3.215 412 2HD2 ASN 56 2HD2 ASN 56 -5.299 13.946 -3.054 413 H GLY 57 H GLY 57 -0.856 12.038 -4.188 414 1HA GLY 57 1HA GLY 57 0.959 9.748 -4.044 415 2HA GLY 57 2HA GLY 57 1.415 11.433 -4.364 416 H ALA 58 H ALA 58 -0.539 10.017 -1.938 417 HA ALA 58 HA ALA 58 1.434 10.254 0.260 418 1HB ALA 58 1HB ALA 58 -0.112 12.181 0.419 419 2HB ALA 58 2HB ALA 58 -1.462 11.040 0.549 420 3HB ALA 58 3HB ALA 58 -0.151 11.082 1.790 421 H ILE 59 H ILE 59 -0.269 8.096 -1.720 422 HA ILE 59 HA ILE 59 0.160 6.066 0.385 423 HB ILE 59 HB ILE 59 -1.981 6.138 -0.259 424 1HG1 ILE 59 1HG1 ILE 59 -1.094 3.970 0.137 425 2HG1 ILE 59 2HG1 ILE 59 -2.544 3.995 -0.875 426 1HG2 ILE 59 1HG2 ILE 59 -2.530 5.510 -2.790 427 2HG2 ILE 59 2HG2 ILE 59 -2.311 7.175 -2.296 428 3HG2 ILE 59 3HG2 ILE 59 -0.995 6.296 -3.117 429 1HD1 ILE 59 1HD1 ILE 59 -0.912 2.397 -1.759 430 2HD1 ILE 59 2HD1 ILE 59 -1.130 3.706 -2.913 431 3HD1 ILE 59 3HD1 ILE 59 0.285 3.697 -1.841 432 H TYR 60 H TYR 60 2.262 6.154 0.456 433 HA TYR 60 HA TYR 60 3.966 5.782 -1.870 434 1HB TYR 60 1HB TYR 60 4.900 5.554 0.967 435 2HB TYR 60 2HB TYR 60 5.709 6.176 -0.435 436 HD1 TYR 60 1HD TYR 60 3.613 7.003 2.435 437 HD2 TYR 60 2HD TYR 60 5.151 8.484 -1.306 438 HE1 TYR 60 1HE TYR 60 3.039 9.288 3.125 439 HE2 TYR 60 2HE TYR 60 4.566 10.799 -0.633 440 HH TYR 60 HH TYR 60 3.551 11.574 2.644 441 H VAL 61 H VAL 61 4.401 3.895 -2.683 442 HA VAL 61 HA VAL 61 3.825 1.492 -0.994 443 HB VAL 61 HB VAL 61 3.592 1.662 -3.995 444 1HG1 VAL 61 1HG1 VAL 61 4.113 -0.634 -3.128 445 2HG1 VAL 61 2HG1 VAL 61 2.678 -0.520 -2.081 446 3HG1 VAL 61 3HG1 VAL 61 2.502 -0.519 -3.844 447 1HG2 VAL 61 1HG2 VAL 61 1.055 1.259 -3.162 448 2HG2 VAL 61 2HG2 VAL 61 1.670 1.991 -1.694 449 3HG2 VAL 61 3HG2 VAL 61 1.758 2.883 -3.243 450 H ASN 62 H ASN 62 5.310 0.078 -0.758 451 HA ASN 62 HA ASN 62 7.372 -0.930 -0.612 452 1HB ASN 62 1HB ASN 62 7.141 -0.433 -3.501 453 2HB ASN 62 2HB ASN 62 8.784 -0.450 -2.972 454 1HD2 ASN 62 1HD2 ASN 62 7.466 -2.652 -0.772 455 2HD2 ASN 62 2HD2 ASN 62 7.824 -4.019 -1.793 456 H GLY 63 H GLY 63 7.290 2.356 -1.395 457 1HA GLY 63 1HA GLY 63 8.829 3.357 0.635 458 2HA GLY 63 2HA GLY 63 9.995 2.977 -0.627 459 H GLU 64 H GLU 64 7.221 3.771 -2.455 460 HA GLU 64 HA GLU 64 8.050 6.590 -2.587 461 1HB GLU 64 1HB GLU 64 8.689 6.307 -4.918 462 2HB GLU 64 2HB GLU 64 9.693 5.346 -3.840 463 1HG GLU 64 1HG GLU 64 8.102 3.353 -4.456 464 2HG GLU 64 2HG GLU 64 7.556 4.396 -5.777 465 H ARG 65 H ARG 65 6.741 7.771 -4.084 466 HA ARG 65 HA ARG 65 4.046 7.364 -3.272 467 1HB ARG 65 1HB ARG 65 5.082 9.573 -3.286 468 2HB ARG 65 2HB ARG 65 5.701 9.369 -4.908 469 1HG ARG 65 1HG ARG 65 2.814 9.347 -4.984 470 2HG ARG 65 2HG ARG 65 3.420 10.734 -4.048 471 1HD ARG 65 1HD ARG 65 4.797 11.490 -5.899 472 2HD ARG 65 2HD ARG 65 4.427 10.030 -6.815 473 HE ARG 65 HE ARG 65 2.244 11.959 -6.120 474 1HH1 ARG 65 2HH2 ARG 65 4.481 10.844 -8.670 475 2HH1 ARG 65 1HH2 ARG 65 3.366 11.208 -9.943 476 1HH2 ARG 65 2HH1 ARG 65 0.751 12.381 -7.939 477 2HH2 ARG 65 1HH1 ARG 65 1.399 12.164 -9.534 478 H LEU 66 H LEU 66 2.729 5.803 -4.281 479 HA LEU 66 HA LEU 66 2.761 5.822 -7.277 480 1HB LEU 66 1HB LEU 66 3.115 3.531 -5.419 481 2HB LEU 66 2HB LEU 66 2.585 3.365 -7.115 482 HG LEU 66 HG LEU 66 5.223 4.589 -6.202 483 1HD1 LEU 66 1HD1 LEU 66 6.188 2.538 -7.143 484 2HD1 LEU 66 2HD1 LEU 66 5.078 2.191 -5.806 485 3HD1 LEU 66 3HD1 LEU 66 4.550 1.924 -7.496 486 1HD2 LEU 66 1HD2 LEU 66 4.580 5.569 -8.374 487 2HD2 LEU 66 2HD2 LEU 66 5.884 4.413 -8.590 488 3HD2 LEU 66 3HD2 LEU 66 4.229 3.949 -9.016 489 H GLN 67 H GLN 67 0.831 6.728 -7.634 490 HA GLN 67 HA GLN 67 -1.575 5.943 -6.155 491 1HB GLN 67 1HB GLN 67 -2.036 8.357 -6.102 492 2HB GLN 67 2HB GLN 67 -0.484 8.107 -5.398 493 1HG GLN 67 1HG GLN 67 -1.454 9.563 -7.755 494 2HG GLN 67 2HG GLN 67 -0.243 10.006 -6.566 495 1HE2 GLN 67 1HE2 GLN 67 1.993 8.550 -6.864 496 2HE2 GLN 67 2HE2 GLN 67 2.451 8.372 -8.543 497 H ASP 68 H ASP 68 -0.953 4.603 -8.555 498 HA ASP 68 HA ASP 68 -3.120 5.642 -10.243 499 1HB ASP 68 1HB ASP 68 -0.758 6.403 -11.024 500 2HB ASP 68 2HB ASP 68 -0.523 4.713 -11.485 501 H VAL 69 H VAL 69 -4.249 4.025 -11.369 502 HA VAL 69 HA VAL 69 -4.102 1.343 -10.388 503 HB VAL 69 HB VAL 69 -5.860 2.947 -11.940 504 1HG1 VAL 69 1HG1 VAL 69 -6.568 1.597 -13.823 505 2HG1 VAL 69 2HG1 VAL 69 -4.905 2.133 -14.058 506 3HG1 VAL 69 3HG1 VAL 69 -5.236 0.457 -13.561 507 1HG2 VAL 69 1HG2 VAL 69 -6.562 1.500 -10.158 508 2HG2 VAL 69 2HG2 VAL 69 -7.441 1.077 -11.633 509 3HG2 VAL 69 3HG2 VAL 69 -6.098 0.057 -11.089 510 H GLY 70 H GLY 70 -2.527 2.906 -13.192 511 1HA GLY 70 1HA GLY 70 -1.517 0.370 -14.163 512 2HA GLY 70 2HA GLY 70 -1.006 1.997 -14.662 513 H ALA 71 H ALA 71 -0.737 2.218 -11.493 514 HA ALA 71 HA ALA 71 2.180 1.741 -11.545 515 1HB ALA 71 1HB ALA 71 1.253 3.787 -10.419 516 2HB ALA 71 2HB ALA 71 0.544 2.734 -9.174 517 3HB ALA 71 3HB ALA 71 2.292 2.780 -9.404 518 H ILE 72 H ILE 72 -0.669 0.656 -9.561 519 HA ILE 72 HA ILE 72 0.775 -1.850 -8.900 520 HB ILE 72 HB ILE 72 -0.611 -0.117 -6.874 521 1HG1 ILE 72 1HG1 ILE 72 2.385 -0.388 -6.878 522 2HG1 ILE 72 2HG1 ILE 72 1.769 0.799 -7.946 523 1HG2 ILE 72 1HG2 ILE 72 0.709 -1.586 -5.286 524 2HG2 ILE 72 2HG2 ILE 72 -0.449 -2.493 -6.266 525 3HG2 ILE 72 3HG2 ILE 72 1.274 -2.524 -6.680 526 1HD1 ILE 72 1HD1 ILE 72 0.677 2.093 -6.389 527 2HD1 ILE 72 2HD1 ILE 72 0.686 0.814 -5.168 528 3HD1 ILE 72 3HD1 ILE 72 2.200 1.623 -5.621 529 H LEU 73 H LEU 73 -0.608 -3.590 -9.028 530 HA LEU 73 HA LEU 73 -3.456 -3.198 -8.458 531 1HB LEU 73 1HB LEU 73 -2.312 -5.051 -10.497 532 2HB LEU 73 2HB LEU 73 -3.988 -4.960 -9.954 533 HG LEU 73 HG LEU 73 -2.535 -2.637 -11.293 534 1HD1 LEU 73 1HD1 LEU 73 -4.742 -4.408 -12.382 535 2HD1 LEU 73 2HD1 LEU 73 -3.806 -3.194 -13.247 536 3HD1 LEU 73 3HD1 LEU 73 -3.032 -4.705 -12.755 537 1HD2 LEU 73 1HD2 LEU 73 -4.765 -1.730 -11.683 538 2HD2 LEU 73 2HD2 LEU 73 -5.439 -2.975 -10.609 539 3HD2 LEU 73 3HD2 LEU 73 -4.268 -1.733 -10.002 540 H THR 74 H THR 74 -1.201 -5.984 -8.918 541 HA THR 74 HA THR 74 -1.660 -6.788 -6.111 542 HB THR 74 HB THR 74 -1.100 -9.103 -7.363 543 HG1 THR 74 1HG THR 74 -1.224 -8.927 -9.454 544 1HG2 THR 74 1HG2 THR 74 -3.767 -7.615 -7.408 545 2HG2 THR 74 2HG2 THR 74 -3.537 -9.377 -7.580 546 3HG2 THR 74 3HG2 THR 74 -3.117 -8.573 -6.070 547 H ALA 75 H ALA 75 0.038 -8.524 -5.420 548 HA ALA 75 HA ALA 75 2.354 -7.079 -4.993 549 1HB ALA 75 1HB ALA 75 3.273 -9.279 -4.170 550 2HB ALA 75 2HB ALA 75 1.637 -8.946 -3.545 551 3HB ALA 75 3HB ALA 75 1.887 -10.098 -4.873 552 H GLU 76 H GLU 76 1.832 -9.376 -7.654 553 HA GLU 76 HA GLU 76 4.626 -9.144 -8.424 554 1HB GLU 76 1HB GLU 76 3.026 -11.144 -8.710 555 2HB GLU 76 2HB GLU 76 2.334 -10.295 -10.066 556 1HG GLU 76 1HG GLU 76 5.332 -10.756 -9.889 557 2HG GLU 76 2HG GLU 76 4.279 -12.087 -10.328 558 H HIS 77 H HIS 77 1.960 -7.164 -8.713 559 HA HIS 77 HA HIS 77 2.786 -5.750 -11.181 560 1HB HIS 77 1HB HIS 77 0.379 -6.266 -10.502 561 2HB HIS 77 2HB HIS 77 0.614 -5.011 -9.271 562 HD1 HIS 77 1HD HIS 77 1.748 -2.622 -10.539 563 HD2 HIS 77 2HD HIS 77 -0.881 -5.279 -12.378 564 HE1 HIS 77 1HE HIS 77 0.142 -1.206 -11.821 565 H ARG 78 H ARG 78 3.771 -6.016 -7.900 566 HA ARG 78 HA ARG 78 4.691 -3.189 -7.938 567 1HB ARG 78 1HB ARG 78 3.003 -4.050 -6.089 568 2HB ARG 78 2HB ARG 78 4.434 -4.726 -5.372 569 1HG ARG 78 1HG ARG 78 3.630 -1.833 -5.685 570 2HG ARG 78 2HG ARG 78 4.181 -2.710 -4.279 571 1HD ARG 78 1HD ARG 78 5.804 -1.147 -4.799 572 2HD ARG 78 2HD ARG 78 6.457 -2.744 -5.207 573 HE ARG 78 HE ARG 78 5.368 -1.154 -7.439 574 1HH1 ARG 78 2HH2 ARG 78 8.310 -2.162 -5.607 575 2HH1 ARG 78 1HH2 ARG 78 9.346 -1.819 -6.935 576 1HH2 ARG 78 2HH1 ARG 78 6.770 -0.657 -9.087 577 2HH2 ARG 78 1HH1 ARG 78 8.502 -0.779 -8.874 578 H LEU 79 H LEU 79 5.613 -6.144 -6.124 579 HA LEU 79 HA LEU 79 8.425 -5.870 -6.705 580 1HB LEU 79 1HB LEU 79 7.521 -8.225 -5.198 581 2HB LEU 79 2HB LEU 79 8.624 -6.950 -4.746 582 HG LEU 79 HG LEU 79 5.601 -6.938 -4.372 583 1HD1 LEU 79 1HD1 LEU 79 6.332 -7.173 -1.890 584 2HD1 LEU 79 2HD1 LEU 79 6.675 -8.591 -2.923 585 3HD1 LEU 79 3HD1 LEU 79 7.954 -7.470 -2.470 586 1HD2 LEU 79 1HD2 LEU 79 6.578 -4.645 -4.376 587 2HD2 LEU 79 2HD2 LEU 79 5.979 -5.095 -2.785 588 3HD2 LEU 79 3HD2 LEU 79 7.729 -5.158 -3.160 589 H GLU 80 H GLU 80 9.304 -8.270 -6.915 590 HA GLU 80 HA GLU 80 8.882 -9.740 -9.164 591 1HB GLU 80 1HB GLU 80 10.072 -11.436 -7.921 592 2HB GLU 80 2HB GLU 80 10.634 -9.856 -7.352 593 1HG GLU 80 1HG GLU 80 8.674 -10.203 -5.529 594 2HG GLU 80 2HG GLU 80 8.854 -11.894 -5.963 595 H GLY 81 H GLY 81 6.479 -9.444 -6.747 596 1HA GLY 81 1HA GLY 81 4.443 -10.570 -6.555 597 2HA GLY 81 2HA GLY 81 5.113 -11.921 -7.446 598 H ARG 82 H ARG 82 5.098 -10.203 -4.393 599 HA ARG 82 HA ARG 82 5.035 -12.754 -2.995 600 1HB ARG 82 1HB ARG 82 7.063 -10.608 -2.211 601 2HB ARG 82 2HB ARG 82 6.485 -11.836 -1.096 602 1HG ARG 82 1HG ARG 82 7.945 -12.406 -3.709 603 2HG ARG 82 2HG ARG 82 8.681 -12.334 -2.121 604 1HD ARG 82 1HD ARG 82 8.220 -14.441 -1.733 605 2HD ARG 82 2HD ARG 82 6.486 -14.136 -1.842 606 HE ARG 82 HE ARG 82 6.978 -14.370 -4.428 607 1HH1 ARG 82 2HH2 ARG 82 8.138 -16.351 -1.743 608 2HH1 ARG 82 1HH2 ARG 82 8.539 -17.726 -2.679 609 1HH2 ARG 82 2HH1 ARG 82 7.460 -16.318 -5.769 610 2HH2 ARG 82 1HH1 ARG 82 7.972 -17.746 -4.990 611 H PHE 83 H PHE 83 5.376 -9.393 -1.782 612 HA PHE 83 HA PHE 83 2.493 -9.375 -1.042 613 1HB PHE 83 1HB PHE 83 4.762 -8.261 0.631 614 2HB PHE 83 2HB PHE 83 3.061 -8.432 1.071 615 HD1 PHE 83 1HD PHE 83 5.739 -9.345 2.486 616 HD2 PHE 83 2HD PHE 83 2.685 -11.394 0.209 617 HE1 PHE 83 1HE PHE 83 6.134 -11.417 3.764 618 HE2 PHE 83 2HE PHE 83 3.090 -13.442 1.504 619 HZ PHE 83 HZ PHE 83 4.787 -13.435 3.310 620 H THR 84 H THR 84 2.432 -6.767 -0.032 621 HA THR 84 HA THR 84 4.099 -4.973 -1.599 622 HB THR 84 HB THR 84 1.217 -5.517 -2.235 623 HG1 THR 84 1HG THR 84 3.132 -6.021 -3.452 624 1HG2 THR 84 1HG2 THR 84 0.958 -3.284 -3.299 625 2HG2 THR 84 2HG2 THR 84 1.021 -3.136 -1.540 626 3HG2 THR 84 3HG2 THR 84 2.464 -2.754 -2.528 627 H VAL 85 H VAL 85 4.314 -3.003 -0.567 628 HA VAL 85 HA VAL 85 3.345 -2.951 2.242 629 HB VAL 85 HB VAL 85 5.770 -1.657 0.923 630 1HG1 VAL 85 1HG1 VAL 85 4.995 -0.561 3.034 631 2HG1 VAL 85 2HG1 VAL 85 5.134 -2.132 3.844 632 3HG1 VAL 85 3HG1 VAL 85 6.588 -1.333 3.196 633 1HG2 VAL 85 1HG2 VAL 85 5.662 -4.172 2.613 634 2HG2 VAL 85 2HG2 VAL 85 6.031 -4.108 0.870 635 3HG2 VAL 85 3HG2 VAL 85 7.126 -3.352 2.019 636 H ILE 86 H ILE 86 1.765 -1.401 2.550 637 HA ILE 86 HA ILE 86 1.558 0.868 0.643 638 HB ILE 86 HB ILE 86 -0.248 -0.484 2.712 639 1HG1 ILE 86 1HG1 ILE 86 -0.080 -1.645 0.519 640 2HG1 ILE 86 2HG1 ILE 86 -1.709 -1.117 0.926 641 1HG2 ILE 86 1HG2 ILE 86 -0.845 1.802 2.968 642 2HG2 ILE 86 2HG2 ILE 86 -0.879 2.064 1.211 643 3HG2 ILE 86 3HG2 ILE 86 -2.107 1.050 1.995 644 1HD1 ILE 86 1HD1 ILE 86 0.124 0.432 -0.948 645 2HD1 ILE 86 2HD1 ILE 86 -1.073 -0.751 -1.483 646 3HD1 ILE 86 3HD1 ILE 86 -1.608 0.708 -0.637 647 H ARG 87 H ARG 87 2.116 2.958 1.448 648 HA ARG 87 HA ARG 87 1.827 3.340 4.392 649 1HB ARG 87 1HB ARG 87 3.862 4.682 2.590 650 2HB ARG 87 2HB ARG 87 3.560 5.033 4.272 651 1HG ARG 87 1HG ARG 87 5.396 3.766 4.518 652 2HG ARG 87 2HG ARG 87 4.211 2.462 4.616 653 1HD ARG 87 1HD ARG 87 4.725 1.752 2.379 654 2HD ARG 87 2HD ARG 87 5.583 3.249 2.017 655 HE ARG 87 HE ARG 87 6.587 0.947 3.553 656 1HH1 ARG 87 2HH2 ARG 87 7.166 4.422 2.894 657 2HH1 ARG 87 1HH2 ARG 87 8.880 4.243 2.796 658 1HH2 ARG 87 2HH1 ARG 87 8.974 0.876 3.919 659 2HH2 ARG 87 1HH1 ARG 87 9.862 2.246 3.432 660 H ARG 88 H ARG 88 -0.389 3.868 4.010 661 HA ARG 88 HA ARG 88 -1.014 6.150 2.244 662 1HB ARG 88 1HB ARG 88 -2.682 4.300 2.435 663 2HB ARG 88 2HB ARG 88 -2.674 4.456 4.159 664 1HG ARG 88 1HG ARG 88 -4.679 5.436 3.132 665 2HG ARG 88 2HG ARG 88 -3.812 6.601 4.109 666 1HD ARG 88 1HD ARG 88 -3.514 6.477 1.093 667 2HD ARG 88 2HD ARG 88 -4.802 7.368 1.873 668 HE ARG 88 HE ARG 88 -1.913 7.989 2.019 669 1HH1 ARG 88 2HH2 ARG 88 -5.329 9.287 2.138 670 2HH1 ARG 88 1HH2 ARG 88 -4.732 10.857 2.519 671 1HH2 ARG 88 2HH1 ARG 88 -1.361 10.099 2.765 672 2HH2 ARG 88 1HH1 ARG 88 -2.637 11.278 2.933 673 H GLY 89 H GLY 89 0.205 7.905 3.188 674 1HA GLY 89 1HA GLY 89 1.053 8.265 5.679 675 2HA GLY 89 2HA GLY 89 0.542 9.619 4.689 676 H LYS 90 H LYS 90 -2.214 9.447 4.745 677 HA LYS 90 HA LYS 90 -2.873 10.633 7.238 678 1HB LYS 90 1HB LYS 90 -3.870 11.162 5.031 679 2HB LYS 90 2HB LYS 90 -4.556 9.535 4.953 680 1HG LYS 90 1HG LYS 90 -6.225 11.147 5.373 681 2HG LYS 90 2HG LYS 90 -6.119 10.034 6.719 682 1HD LYS 90 1HD LYS 90 -4.676 11.876 7.869 683 2HD LYS 90 2HD LYS 90 -5.225 12.936 6.559 684 1HE LYS 90 1HE LYS 90 -6.966 11.387 8.526 685 2HE LYS 90 2HE LYS 90 -6.620 13.119 8.632 686 1HZ LYS 90 1HZ LYS 90 -7.976 11.959 6.271 687 2HZ LYS 90 2HZ LYS 90 -8.804 12.420 7.600 688 3HZ LYS 90 3HZ LYS 90 -7.940 13.522 6.735 689 H LYS 91 H LYS 91 -2.870 7.293 6.374 690 HA LYS 91 HA LYS 91 -4.756 6.569 8.574 691 1HB LYS 91 1HB LYS 91 -5.520 5.833 6.291 692 2HB LYS 91 2HB LYS 91 -3.974 5.041 6.041 693 1HG LYS 91 1HG LYS 91 -5.432 3.322 6.621 694 2HG LYS 91 2HG LYS 91 -4.501 3.606 8.097 695 1HD LYS 91 1HD LYS 91 -6.336 4.733 9.153 696 2HD LYS 91 2HD LYS 91 -7.210 4.859 7.610 697 1HE LYS 91 1HE LYS 91 -7.132 2.267 7.566 698 2HE LYS 91 2HE LYS 91 -6.684 2.356 9.273 699 1HZ LYS 91 1HZ LYS 91 -9.096 2.120 8.772 700 2HZ LYS 91 2HZ LYS 91 -8.731 3.382 9.744 701 3HZ LYS 91 3HZ LYS 91 -9.099 3.639 8.134 702 H LYS 92 H LYS 92 -2.442 4.282 7.126 703 HA LYS 92 HA LYS 92 -0.227 5.156 8.644 704 1HB LYS 92 1HB LYS 92 -2.007 3.690 10.115 705 2HB LYS 92 2HB LYS 92 -1.228 2.376 9.283 706 1HG LYS 92 1HG LYS 92 0.055 2.614 11.276 707 2HG LYS 92 2HG LYS 92 1.034 3.429 10.098 708 1HD LYS 92 1HD LYS 92 0.994 4.804 12.054 709 2HD LYS 92 2HD LYS 92 0.065 5.622 10.814 710 1HE LYS 92 1HE LYS 92 -1.132 5.832 12.888 711 2HE LYS 92 2HE LYS 92 -2.049 4.728 11.861 712 1HZ LYS 92 1HZ LYS 92 -1.021 2.877 13.112 713 2HZ LYS 92 2HZ LYS 92 -0.235 3.969 14.077 714 3HZ LYS 92 3HZ LYS 92 -1.882 3.863 14.083 715 H TYR 93 H TYR 93 0.874 2.543 8.610 716 HA TYR 93 HA TYR 93 1.533 1.991 5.855 717 1HB TYR 93 1HB TYR 93 2.568 1.064 8.575 718 2HB TYR 93 2HB TYR 93 3.057 0.395 7.045 719 HD1 TYR 93 1HD TYR 93 5.331 0.860 8.133 720 HD2 TYR 93 2HD TYR 93 2.773 4.051 6.743 721 HE1 TYR 93 1HE TYR 93 7.257 2.365 8.021 722 HE2 TYR 93 2HE TYR 93 4.689 5.558 6.655 723 HH TYR 93 HH TYR 93 8.007 4.365 7.040 724 H TYR 94 H TYR 94 0.774 0.038 5.114 725 HA TYR 94 HA TYR 94 -0.488 -2.063 6.816 726 1HB TYR 94 1HB TYR 94 -1.603 -0.446 4.528 727 2HB TYR 94 2HB TYR 94 -1.927 -2.099 4.561 728 HD1 TYR 94 1HD TYR 94 -3.664 -3.013 6.031 729 HD2 TYR 94 2HD TYR 94 -2.272 1.040 6.532 730 HE1 TYR 94 1HE TYR 94 -5.645 -2.497 7.410 731 HE2 TYR 94 2HE TYR 94 -4.171 1.519 8.005 732 HH TYR 94 HH TYR 94 -6.755 -0.896 8.692 733 H LEU 95 H LEU 95 -0.868 -3.881 5.343 734 HA LEU 95 HA LEU 95 1.323 -4.403 3.413 735 1HB LEU 95 1HB LEU 95 2.110 -5.130 5.572 736 2HB LEU 95 2HB LEU 95 0.641 -5.985 5.909 737 HG LEU 95 HG LEU 95 1.157 -7.686 4.216 738 1HD1 LEU 95 1HD1 LEU 95 3.410 -5.830 3.441 739 2HD1 LEU 95 2HD1 LEU 95 3.468 -7.584 3.113 740 3HD1 LEU 95 3HD1 LEU 95 2.193 -6.614 2.413 741 1HD2 LEU 95 1HD2 LEU 95 3.633 -7.056 5.890 742 2HD2 LEU 95 2HD2 LEU 95 2.213 -7.913 6.475 743 3HD2 LEU 95 3HD2 LEU 95 3.200 -8.641 5.207 744 H ILE 96 H ILE 96 0.655 -5.625 1.760 745 HA ILE 96 HA ILE 96 -2.115 -6.717 1.736 746 HB ILE 96 HB ILE 96 -0.636 -5.140 -0.418 747 1HG1 ILE 96 1HG1 ILE 96 -1.327 -3.618 1.450 748 2HG1 ILE 96 2HG1 ILE 96 -2.056 -3.255 -0.078 749 1HG2 ILE 96 1HG2 ILE 96 -3.476 -6.246 -0.392 750 2HG2 ILE 96 2HG2 ILE 96 -2.783 -5.208 -1.656 751 3HG2 ILE 96 3HG2 ILE 96 -2.124 -6.803 -1.387 752 1HD1 ILE 96 1HD1 ILE 96 -4.173 -4.297 0.636 753 2HD1 ILE 96 2HD1 ILE 96 -3.422 -4.731 2.196 754 3HD1 ILE 96 3HD1 ILE 96 -3.640 -3.028 1.744 755 H ARG 97 H ARG 97 -2.020 -8.898 1.091 756 HA ARG 97 HA ARG 97 0.079 -9.664 -0.822 757 1HB ARG 97 1HB ARG 97 0.164 -11.806 0.603 758 2HB ARG 97 2HB ARG 97 1.018 -10.379 1.179 759 1HG ARG 97 1HG ARG 97 -0.711 -9.941 2.828 760 2HG ARG 97 2HG ARG 97 -1.663 -11.308 2.206 761 1HD ARG 97 1HD ARG 97 0.357 -12.762 2.826 762 2HD ARG 97 2HD ARG 97 1.001 -11.356 3.665 763 HE ARG 97 HE ARG 97 -0.970 -11.336 5.115 764 1HH1 ARG 97 2HH2 ARG 97 -0.502 -14.382 3.256 765 2HH1 ARG 97 1HH2 ARG 97 -1.711 -15.227 4.172 766 1HH2 ARG 97 2HH1 ARG 97 -2.333 -12.624 6.486 767 2HH2 ARG 97 1HH1 ARG 97 -2.511 -14.316 6.140 768 H TYR 98 H TYR 98 -0.431 -11.982 -1.679 769 HA TYR 98 HA TYR 98 -3.282 -12.384 -1.826 770 1HB TYR 98 1HB TYR 98 -2.598 -13.606 -3.951 771 2HB TYR 98 2HB TYR 98 -2.881 -11.874 -4.013 772 HD1 TYR 98 1HD TYR 98 0.235 -13.761 -2.956 773 HD2 TYR 98 2HD TYR 98 -1.682 -11.309 -5.961 774 HE1 TYR 98 1HE TYR 98 2.319 -13.680 -4.223 775 HE2 TYR 98 2HE TYR 98 0.416 -11.303 -7.272 776 HH TYR 98 HH TYR 98 3.111 -13.373 -6.508 777 H ALA 99 H ALA 99 -3.741 -14.648 -2.199 778 HA ALA 99 HA ALA 99 -2.820 -16.421 -0.264 779 1HB ALA 99 1HB ALA 99 -4.146 -18.116 -1.483 780 2HB ALA 99 2HB ALA 99 -5.026 -16.584 -1.307 781 3HB ALA 99 3HB ALA 99 -4.287 -17.014 -2.865 Start of MODEL 19 1 1H ALA 1 1H ALA 1 20.214 -13.387 1.853 2 2H ALA 1 2H ALA 1 21.010 -12.240 2.756 3 3H ALA 1 3H ALA 1 20.455 -13.622 3.451 4 HA ALA 1 HA ALA 1 18.968 -11.951 4.074 5 1HB ALA 1 1HB ALA 1 17.860 -10.530 2.385 6 2HB ALA 1 2HB ALA 1 19.614 -10.360 2.272 7 3HB ALA 1 3HB ALA 1 18.741 -11.354 1.085 8 H LEU 2 H LEU 2 16.395 -11.946 2.857 9 HA LEU 2 HA LEU 2 15.680 -14.749 2.367 10 1HB LEU 2 1HB LEU 2 14.175 -12.891 3.358 11 2HB LEU 2 2HB LEU 2 14.017 -12.293 1.713 12 HG LEU 2 HG LEU 2 13.197 -15.003 2.855 13 1HD1 LEU 2 1HD1 LEU 2 10.944 -14.280 2.133 14 2HD1 LEU 2 2HD1 LEU 2 11.671 -13.134 3.264 15 3HD1 LEU 2 3HD1 LEU 2 11.629 -12.761 1.518 16 1HD2 LEU 2 1HD2 LEU 2 12.247 -15.430 0.507 17 2HD2 LEU 2 2HD2 LEU 2 13.354 -14.168 -0.045 18 3HD2 LEU 2 3HD2 LEU 2 13.989 -15.637 0.711 19 H PHE 3 H PHE 3 15.207 -11.872 0.171 20 HA PHE 3 HA PHE 3 17.300 -12.851 -1.615 21 1HB PHE 3 1HB PHE 3 15.011 -13.796 -2.332 22 2HB PHE 3 2HB PHE 3 14.576 -12.140 -2.735 23 HD1 PHE 3 1HD PHE 3 17.468 -14.533 -3.274 24 HD2 PHE 3 2HD PHE 3 14.834 -11.588 -5.027 25 HE1 PHE 3 1HE PHE 3 18.543 -14.862 -5.474 26 HE2 PHE 3 2HE PHE 3 15.868 -11.981 -7.230 27 HZ PHE 3 HZ PHE 3 17.731 -13.628 -7.463 28 H SER 4 H SER 4 16.885 -10.791 -3.624 29 HA SER 4 HA SER 4 16.384 -8.265 -2.365 30 1HB SER 4 1HB SER 4 19.246 -9.028 -3.115 31 2HB SER 4 2HB SER 4 18.701 -7.353 -2.909 32 HG SER 4 HG SER 4 18.048 -9.114 -0.869 33 H GLY 5 H GLY 5 16.827 -6.487 -4.097 34 1HA GLY 5 1HA GLY 5 17.393 -6.603 -6.711 35 2HA GLY 5 2HA GLY 5 15.817 -7.415 -6.682 36 H ASP 6 H ASP 6 13.968 -6.266 -6.098 37 HA ASP 6 HA ASP 6 14.053 -3.385 -6.675 38 1HB ASP 6 1HB ASP 6 11.842 -5.412 -6.077 39 2HB ASP 6 2HB ASP 6 11.525 -3.687 -6.185 40 H ILE 7 H ILE 7 12.820 -5.395 -4.058 41 HA ILE 7 HA ILE 7 12.690 -3.047 -2.354 42 HB ILE 7 HB ILE 7 11.283 -4.402 -0.956 43 1HG1 ILE 7 1HG1 ILE 7 11.588 -6.453 -3.217 44 2HG1 ILE 7 2HG1 ILE 7 12.051 -6.686 -1.519 45 1HG2 ILE 7 1HG2 ILE 7 10.486 -2.859 -2.729 46 2HG2 ILE 7 2HG2 ILE 7 10.314 -4.249 -3.823 47 3HG2 ILE 7 3HG2 ILE 7 9.356 -4.153 -2.322 48 1HD1 ILE 7 1HD1 ILE 7 10.036 -7.902 -2.047 49 2HD1 ILE 7 2HD1 ILE 7 9.610 -6.566 -0.949 50 3HD1 ILE 7 3HD1 ILE 7 9.318 -6.438 -2.705 51 H ALA 8 H ALA 8 15.120 -3.569 -2.686 52 HA ALA 8 HA ALA 8 16.308 -5.625 -1.055 53 1HB ALA 8 1HB ALA 8 18.476 -4.508 -1.472 54 2HB ALA 8 2HB ALA 8 17.530 -4.588 -2.970 55 3HB ALA 8 3HB ALA 8 17.633 -3.061 -2.059 56 H ASN 9 H ASN 9 14.890 -2.722 -0.137 57 HA ASN 9 HA ASN 9 16.384 -2.349 2.364 58 1HB ASN 9 1HB ASN 9 14.120 -0.857 0.977 59 2HB ASN 9 2HB ASN 9 14.817 -0.427 2.518 60 1HD2 ASN 9 1HD2 ASN 9 15.324 -0.520 -0.967 61 2HD2 ASN 9 2HD2 ASN 9 16.848 0.340 -0.984 62 H LEU 10 H LEU 10 13.655 -4.012 1.021 63 HA LEU 10 HA LEU 10 12.365 -4.513 3.607 64 1HB LEU 10 1HB LEU 10 10.378 -3.512 3.215 65 2HB LEU 10 2HB LEU 10 11.640 -2.302 3.095 66 HG LEU 10 HG LEU 10 9.972 -3.357 0.778 67 1HD1 LEU 10 1HD1 LEU 10 10.014 -0.582 1.996 68 2HD1 LEU 10 2HD1 LEU 10 8.827 -1.306 0.893 69 3HD1 LEU 10 3HD1 LEU 10 8.935 -1.839 2.583 70 1HD2 LEU 10 1HD2 LEU 10 11.926 -1.021 0.775 71 2HD2 LEU 10 2HD2 LEU 10 12.271 -2.592 0.029 72 3HD2 LEU 10 3HD2 LEU 10 10.939 -1.609 -0.574 73 H THR 11 H THR 11 13.178 -6.707 2.930 74 HA THR 11 HA THR 11 11.898 -7.941 0.619 75 HB THR 11 HB THR 11 12.870 -10.036 1.640 76 HG1 THR 11 1HG THR 11 14.324 -9.656 3.416 77 1HG2 THR 11 1HG2 THR 11 15.264 -9.413 1.372 78 2HG2 THR 11 2HG2 THR 11 14.286 -8.674 0.086 79 3HG2 THR 11 3HG2 THR 11 14.854 -7.692 1.454 80 H ALA 12 H ALA 12 10.959 -10.220 1.456 81 HA ALA 12 HA ALA 12 8.255 -9.448 2.340 82 1HB ALA 12 1HB ALA 12 8.602 -11.140 0.566 83 2HB ALA 12 2HB ALA 12 9.357 -12.231 1.753 84 3HB ALA 12 3HB ALA 12 7.659 -11.787 1.917 85 H ALA 13 H ALA 13 10.903 -11.286 3.781 86 HA ALA 13 HA ALA 13 9.449 -11.836 6.259 87 1HB ALA 13 1HB ALA 13 11.454 -13.137 5.710 88 2HB ALA 13 2HB ALA 13 12.449 -11.656 5.674 89 3HB ALA 13 3HB ALA 13 11.732 -12.208 7.199 90 H GLU 14 H GLU 14 11.455 -9.198 4.988 91 HA GLU 14 HA GLU 14 11.743 -7.826 7.500 92 1HB GLU 14 1HB GLU 14 13.321 -8.033 5.532 93 2HB GLU 14 2HB GLU 14 12.212 -7.045 4.608 94 1HG GLU 14 1HG GLU 14 12.702 -5.089 5.858 95 2HG GLU 14 2HG GLU 14 13.268 -6.019 7.249 96 H ILE 15 H ILE 15 9.434 -7.930 4.891 97 HA ILE 15 HA ILE 15 8.123 -5.459 5.480 98 HB ILE 15 HB ILE 15 7.692 -7.758 3.552 99 1HG1 ILE 15 1HG1 ILE 15 7.726 -4.764 3.180 100 2HG1 ILE 15 2HG1 ILE 15 9.171 -5.697 3.161 101 1HG2 ILE 15 1HG2 ILE 15 5.548 -5.696 4.156 102 2HG2 ILE 15 2HG2 ILE 15 5.575 -6.759 2.746 103 3HG2 ILE 15 3HG2 ILE 15 5.428 -7.453 4.346 104 1HD1 ILE 15 1HD1 ILE 15 8.384 -7.018 1.226 105 2HD1 ILE 15 2HD1 ILE 15 6.869 -6.095 1.183 106 3HD1 ILE 15 3HD1 ILE 15 8.394 -5.279 0.866 107 H GLU 16 H GLU 16 7.263 -8.979 5.901 108 HA GLU 16 HA GLU 16 4.954 -8.408 7.474 109 1HB GLU 16 1HB GLU 16 6.903 -10.713 7.710 110 2HB GLU 16 2HB GLU 16 5.446 -10.530 8.698 111 1HG GLU 16 1HG GLU 16 4.336 -10.250 6.217 112 2HG GLU 16 2HG GLU 16 5.677 -11.346 5.851 113 H GLN 17 H GLN 17 8.421 -8.601 8.577 114 HA GLN 17 HA GLN 17 7.578 -8.239 11.345 115 1HB GLN 17 1HB GLN 17 9.593 -9.557 10.506 116 2HB GLN 17 2HB GLN 17 10.358 -7.998 10.166 117 1HG GLN 17 1HG GLN 17 11.042 -7.916 12.322 118 2HG GLN 17 2HG GLN 17 9.375 -7.788 12.836 119 1HE2 GLN 17 1HE2 GLN 17 11.648 -10.380 11.693 120 2HE2 GLN 17 2HE2 GLN 17 11.192 -11.541 12.930 121 H GLY 18 H GLY 18 8.658 -6.248 8.560 122 1HA GLY 18 1HA GLY 18 9.442 -3.988 9.999 123 2HA GLY 18 2HA GLY 18 8.969 -4.062 8.293 124 H PHE 19 H PHE 19 6.368 -5.178 8.684 125 HA PHE 19 HA PHE 19 4.980 -2.678 9.499 126 1HB PHE 19 1HB PHE 19 4.471 -4.552 7.172 127 2HB PHE 19 2HB PHE 19 3.566 -3.095 7.557 128 HD1 PHE 19 1HD PHE 19 5.099 -0.912 7.891 129 HD2 PHE 19 2HD PHE 19 6.266 -4.338 5.637 130 HE1 PHE 19 1HE PHE 19 6.816 0.466 6.665 131 HE2 PHE 19 2HE PHE 19 8.087 -3.035 4.559 132 HZ PHE 19 HZ PHE 19 8.314 -0.617 5.024 133 H LYS 20 H LYS 20 5.547 -5.410 10.812 134 HA LYS 20 HA LYS 20 3.185 -6.633 11.655 135 1HB LYS 20 1HB LYS 20 5.835 -6.977 12.106 136 2HB LYS 20 2HB LYS 20 5.485 -6.069 13.539 137 1HG LYS 20 1HG LYS 20 5.194 -8.173 14.350 138 2HG LYS 20 2HG LYS 20 3.531 -7.921 13.802 139 1HD LYS 20 1HD LYS 20 4.066 -9.168 11.699 140 2HD LYS 20 2HD LYS 20 5.748 -9.340 12.251 141 1HE LYS 20 1HE LYS 20 4.759 -10.402 14.389 142 2HE LYS 20 2HE LYS 20 3.249 -10.556 13.484 143 1HZ LYS 20 1HZ LYS 20 4.534 -11.914 11.853 144 2HZ LYS 20 2HZ LYS 20 5.865 -11.763 12.786 145 3HZ LYS 20 3HZ LYS 20 4.551 -12.556 13.362 146 H ASP 21 H ASP 21 3.474 -3.440 11.763 147 HA ASP 21 HA ASP 21 2.566 -2.676 14.450 148 1HB ASP 21 1HB ASP 21 3.299 -1.359 11.834 149 2HB ASP 21 2HB ASP 21 2.048 -0.557 12.765 150 H VAL 22 H VAL 22 1.153 -3.543 11.205 151 HA VAL 22 HA VAL 22 -1.548 -3.079 12.212 152 HB VAL 22 HB VAL 22 -1.394 -2.757 9.429 153 1HG1 VAL 22 1HG1 VAL 22 -2.881 -1.480 11.022 154 2HG1 VAL 22 2HG1 VAL 22 -1.470 -0.560 11.534 155 3HG1 VAL 22 3HG1 VAL 22 -2.072 -0.413 9.872 156 1HG2 VAL 22 1HG2 VAL 22 0.034 -0.896 8.950 157 2HG2 VAL 22 2HG2 VAL 22 0.809 -1.013 10.532 158 3HG2 VAL 22 3HG2 VAL 22 0.972 -2.342 9.352 159 HA PRO 23 HA PRO 23 -1.994 -7.168 10.347 160 1HB PRO 23 1HB PRO 23 -4.485 -7.222 9.285 161 2HB PRO 23 2HB PRO 23 -4.257 -7.066 11.049 162 1HG PRO 23 1HG PRO 23 -4.706 -4.847 9.014 163 2HG PRO 23 2HG PRO 23 -5.576 -5.122 10.548 164 1HD PRO 23 1HD PRO 23 -3.487 -3.389 10.301 165 2HD PRO 23 2HD PRO 23 -3.814 -4.265 11.825 166 H SER 24 H SER 24 -2.621 -8.090 8.191 167 HA SER 24 HA SER 24 -1.901 -6.281 5.960 168 1HB SER 24 1HB SER 24 -1.179 -8.366 4.761 169 2HB SER 24 2HB SER 24 -0.244 -8.102 6.244 170 HG SER 24 HG SER 24 -1.269 -9.680 7.267 171 H PHE 25 H PHE 25 -3.017 -7.284 3.842 172 HA PHE 25 HA PHE 25 -5.568 -8.690 4.474 173 1HB PHE 25 1HB PHE 25 -6.159 -6.514 3.804 174 2HB PHE 25 2HB PHE 25 -5.005 -6.541 2.450 175 HD1 PHE 25 1HD PHE 25 -5.711 -7.137 0.289 176 HD2 PHE 25 2HD PHE 25 -8.095 -8.340 3.692 177 HE1 PHE 25 1HE PHE 25 -7.408 -8.089 -1.226 178 HE2 PHE 25 2HE PHE 25 -9.772 -9.308 2.162 179 HZ PHE 25 HZ PHE 25 -9.439 -9.196 -0.302 180 H VAL 26 H VAL 26 -6.057 -10.262 2.846 181 HA VAL 26 HA VAL 26 -3.967 -10.869 0.969 182 HB VAL 26 HB VAL 26 -3.496 -11.954 3.134 183 1HG1 VAL 26 1HG1 VAL 26 -5.728 -12.583 3.860 184 2HG1 VAL 26 2HG1 VAL 26 -5.849 -13.757 2.522 185 3HG1 VAL 26 3HG1 VAL 26 -4.619 -13.965 3.784 186 1HG2 VAL 26 1HG2 VAL 26 -2.605 -12.754 0.941 187 2HG2 VAL 26 2HG2 VAL 26 -2.787 -14.048 2.127 188 3HG2 VAL 26 3HG2 VAL 26 -3.983 -13.862 0.820 189 H HIS 27 H HIS 27 -4.885 -11.424 -1.001 190 HA HIS 27 HA HIS 27 -7.543 -12.766 -0.834 191 1HB HIS 27 1HB HIS 27 -8.081 -11.851 -3.028 192 2HB HIS 27 2HB HIS 27 -7.981 -10.685 -1.717 193 HD1 HIS 27 1HD HIS 27 -7.896 -8.947 -3.773 194 HD2 HIS 27 2HD HIS 27 -4.578 -11.460 -3.236 195 HE1 HIS 27 1HE HIS 27 -5.914 -7.762 -4.864 196 H GLU 28 H GLU 28 -7.861 -13.818 -3.077 197 HA GLU 28 HA GLU 28 -6.274 -16.148 -2.722 198 1HB GLU 28 1HB GLU 28 -8.571 -15.584 -4.660 199 2HB GLU 28 2HB GLU 28 -7.969 -17.189 -4.258 200 1HG GLU 28 1HG GLU 28 -10.034 -16.752 -3.066 201 2HG GLU 28 2HG GLU 28 -8.692 -16.973 -1.947 202 H GLY 29 H GLY 29 -5.430 -13.794 -4.560 203 1HA GLY 29 1HA GLY 29 -3.419 -13.968 -6.121 204 2HA GLY 29 2HA GLY 29 -4.257 -15.362 -6.827 205 H GLY 30 H GLY 30 -3.789 -13.589 -8.798 206 1HA GLY 30 1HA GLY 30 -5.059 -12.678 -10.436 207 2HA GLY 30 2HA GLY 30 -6.335 -12.252 -9.277 208 H ASP 31 H ASP 31 -5.047 -10.533 -11.075 209 HA ASP 31 HA ASP 31 -3.934 -8.570 -9.236 210 1HB ASP 31 1HB ASP 31 -3.310 -7.082 -10.983 211 2HB ASP 31 2HB ASP 31 -2.459 -8.616 -11.025 212 H VAL 32 H VAL 32 -4.762 -6.438 -9.032 213 HA VAL 32 HA VAL 32 -7.621 -6.163 -9.409 214 HB VAL 32 HB VAL 32 -6.401 -6.894 -6.767 215 1HG1 VAL 32 1HG1 VAL 32 -8.623 -6.765 -5.712 216 2HG1 VAL 32 2HG1 VAL 32 -8.154 -5.210 -6.386 217 3HG1 VAL 32 3HG1 VAL 32 -9.327 -6.244 -7.249 218 1HG2 VAL 32 1HG2 VAL 32 -6.801 -8.997 -7.851 219 2HG2 VAL 32 2HG2 VAL 32 -8.063 -8.812 -6.652 220 3HG2 VAL 32 3HG2 VAL 32 -8.425 -8.492 -8.362 221 HA PRO 33 HA PRO 33 -5.765 -2.248 -8.928 222 1HB PRO 33 1HB PRO 33 -7.893 -0.538 -8.825 223 2HB PRO 33 2HB PRO 33 -7.488 -1.478 -10.292 224 1HG PRO 33 1HG PRO 33 -9.474 -2.198 -8.149 225 2HG PRO 33 2HG PRO 33 -9.751 -2.157 -9.924 226 1HD PRO 33 1HD PRO 33 -9.147 -4.470 -8.614 227 2HD PRO 33 2HD PRO 33 -8.439 -4.147 -10.225 228 H LEU 34 H LEU 34 -4.941 -0.889 -7.468 229 HA LEU 34 HA LEU 34 -5.039 -1.339 -4.800 230 1HB LEU 34 1HB LEU 34 -3.694 0.335 -4.399 231 2HB LEU 34 2HB LEU 34 -3.304 -0.317 -5.968 232 HG LEU 34 HG LEU 34 -4.446 2.327 -5.249 233 1HD1 LEU 34 1HD1 LEU 34 -2.505 3.186 -6.485 234 2HD1 LEU 34 2HD1 LEU 34 -2.030 2.062 -5.202 235 3HD1 LEU 34 3HD1 LEU 34 -2.057 1.532 -6.901 236 1HD2 LEU 34 1HD2 LEU 34 -5.818 1.709 -7.202 237 2HD2 LEU 34 2HD2 LEU 34 -4.581 2.865 -7.728 238 3HD2 LEU 34 3HD2 LEU 34 -4.358 1.152 -8.055 239 H VAL 35 H VAL 35 -7.564 0.362 -6.425 240 HA VAL 35 HA VAL 35 -8.791 1.399 -3.952 241 HB VAL 35 HB VAL 35 -9.310 2.428 -6.176 242 1HG1 VAL 35 1HG1 VAL 35 -10.719 1.530 -7.801 243 2HG1 VAL 35 2HG1 VAL 35 -9.429 0.348 -7.550 244 3HG1 VAL 35 3HG1 VAL 35 -11.042 0.080 -6.854 245 1HG2 VAL 35 1HG2 VAL 35 -11.688 2.736 -5.790 246 2HG2 VAL 35 2HG2 VAL 35 -11.736 1.293 -4.760 247 3HG2 VAL 35 3HG2 VAL 35 -10.810 2.721 -4.248 248 H GLU 36 H GLU 36 -9.498 -1.543 -5.940 249 HA GLU 36 HA GLU 36 -11.552 -2.217 -4.028 250 1HB GLU 36 1HB GLU 36 -10.173 -3.887 -6.177 251 2HB GLU 36 2HB GLU 36 -11.606 -4.374 -5.265 252 1HG GLU 36 1HG GLU 36 -11.372 -2.076 -7.245 253 2HG GLU 36 2HG GLU 36 -12.294 -3.546 -7.444 254 H LEU 37 H LEU 37 -8.018 -2.870 -4.225 255 HA LEU 37 HA LEU 37 -8.384 -5.012 -2.210 256 1HB LEU 37 1HB LEU 37 -6.136 -5.534 -2.375 257 2HB LEU 37 2HB LEU 37 -6.865 -5.526 -3.967 258 HG LEU 37 HG LEU 37 -5.712 -3.384 -4.490 259 1HD1 LEU 37 1HD1 LEU 37 -5.217 -2.237 -2.485 260 2HD1 LEU 37 2HD1 LEU 37 -4.583 -3.703 -1.693 261 3HD1 LEU 37 3HD1 LEU 37 -3.668 -2.874 -2.965 262 1HD2 LEU 37 1HD2 LEU 37 -3.409 -4.506 -4.508 263 2HD2 LEU 37 2HD2 LEU 37 -4.131 -5.824 -3.582 264 3HD2 LEU 37 3HD2 LEU 37 -4.742 -5.427 -5.205 265 H LEU 38 H LEU 38 -7.635 -1.505 -2.326 266 HA LEU 38 HA LEU 38 -6.578 -1.763 0.290 267 1HB LEU 38 1HB LEU 38 -6.312 0.515 0.479 268 2HB LEU 38 2HB LEU 38 -6.070 0.196 -1.201 269 HG LEU 38 HG LEU 38 -8.674 0.904 -1.357 270 1HD1 LEU 38 1HD1 LEU 38 -9.147 2.760 0.260 271 2HD1 LEU 38 2HD1 LEU 38 -9.109 1.212 1.054 272 3HD1 LEU 38 3HD1 LEU 38 -7.712 2.298 1.182 273 1HD2 LEU 38 1HD2 LEU 38 -8.113 3.061 -1.951 274 2HD2 LEU 38 2HD2 LEU 38 -6.795 3.173 -0.799 275 3HD2 LEU 38 3HD2 LEU 38 -6.630 2.160 -2.269 276 H VAL 39 H VAL 39 -9.718 -1.208 -1.131 277 HA VAL 39 HA VAL 39 -11.066 -0.373 1.313 278 HB VAL 39 HB VAL 39 -11.571 -0.824 -1.523 279 1HG1 VAL 39 1HG1 VAL 39 -13.457 -2.212 -0.757 280 2HG1 VAL 39 2HG1 VAL 39 -13.937 -0.948 0.400 281 3HG1 VAL 39 3HG1 VAL 39 -14.074 -0.671 -1.350 282 1HG2 VAL 39 1HG2 VAL 39 -12.451 1.254 -1.638 283 2HG2 VAL 39 2HG2 VAL 39 -12.789 1.326 0.106 284 3HG2 VAL 39 3HG2 VAL 39 -11.112 1.345 -0.501 285 H SER 40 H SER 40 -10.788 -3.444 -0.593 286 HA SER 40 HA SER 40 -12.231 -5.048 1.247 287 1HB SER 40 1HB SER 40 -11.535 -5.568 -1.184 288 2HB SER 40 2HB SER 40 -9.934 -5.961 -0.529 289 HG SER 40 HG SER 40 -10.969 -7.522 0.785 290 H ALA 41 H ALA 41 -8.770 -3.918 1.067 291 HA ALA 41 HA ALA 41 -8.066 -5.618 3.299 292 1HB ALA 41 1HB ALA 41 -6.692 -3.167 2.108 293 2HB ALA 41 2HB ALA 41 -5.960 -4.285 3.284 294 3HB ALA 41 3HB ALA 41 -6.401 -4.858 1.677 295 H GLY 42 H GLY 42 -9.576 -2.471 3.116 296 1HA GLY 42 1HA GLY 42 -10.862 -1.587 4.885 297 2HA GLY 42 2HA GLY 42 -10.027 -2.650 6.038 298 H ILE 43 H ILE 43 -8.231 -0.903 3.634 299 HA ILE 43 HA ILE 43 -6.762 0.685 5.575 300 HB ILE 43 HB ILE 43 -6.861 0.304 2.586 301 1HG1 ILE 43 1HG1 ILE 43 -4.856 -0.798 2.544 302 2HG1 ILE 43 2HG1 ILE 43 -4.185 0.032 3.911 303 1HG2 ILE 43 1HG2 ILE 43 -4.859 1.766 2.387 304 2HG2 ILE 43 2HG2 ILE 43 -6.282 2.699 2.880 305 3HG2 ILE 43 3HG2 ILE 43 -5.056 2.267 4.081 306 1HD1 ILE 43 1HD1 ILE 43 -4.548 -2.361 4.376 307 2HD1 ILE 43 2HD1 ILE 43 -5.489 -1.336 5.484 308 3HD1 ILE 43 3HD1 ILE 43 -6.284 -2.145 4.133 309 H SER 44 H SER 44 -9.353 1.282 2.943 310 HA SER 44 HA SER 44 -10.396 3.462 4.598 311 1HB SER 44 1HB SER 44 -8.788 4.094 2.129 312 2HB SER 44 2HB SER 44 -10.269 4.998 2.469 313 HG SER 44 HG SER 44 -7.899 5.382 3.526 314 HA PRO 45 HA PRO 45 -13.030 0.626 2.310 315 1HB PRO 45 1HB PRO 45 -15.168 0.494 3.974 316 2HB PRO 45 2HB PRO 45 -13.580 -0.248 4.372 317 1HG PRO 45 1HG PRO 45 -14.717 2.385 5.337 318 2HG PRO 45 2HG PRO 45 -13.883 1.118 6.292 319 1HD PRO 45 1HD PRO 45 -12.656 3.396 5.263 320 2HD PRO 45 2HD PRO 45 -11.778 1.871 5.590 321 H SER 46 H SER 46 -13.575 3.928 2.904 322 HA SER 46 HA SER 46 -16.315 3.938 1.756 323 1HB SER 46 1HB SER 46 -15.242 5.425 3.833 324 2HB SER 46 2HB SER 46 -15.066 6.526 2.475 325 HG SER 46 HG SER 46 -17.412 5.276 3.443 326 H LYS 47 H LYS 47 -16.032 3.635 -0.458 327 HA LYS 47 HA LYS 47 -13.712 3.917 -1.761 328 1HB LYS 47 1HB LYS 47 -16.458 4.091 -3.036 329 2HB LYS 47 2HB LYS 47 -14.942 3.916 -3.930 330 1HG LYS 47 1HG LYS 47 -14.443 1.876 -2.459 331 2HG LYS 47 2HG LYS 47 -16.133 1.941 -1.945 332 1HD LYS 47 1HD LYS 47 -16.859 1.619 -4.293 333 2HD LYS 47 2HD LYS 47 -15.163 1.701 -4.834 334 1HE LYS 47 1HE LYS 47 -14.650 -0.277 -3.367 335 2HE LYS 47 2HE LYS 47 -16.382 -0.452 -3.035 336 1HZ LYS 47 1HZ LYS 47 -15.035 -0.632 -5.675 337 2HZ LYS 47 2HZ LYS 47 -15.425 -1.857 -4.842 338 3HZ LYS 47 3HZ LYS 47 -16.672 -0.921 -5.430 339 H ARG 48 H ARG 48 -15.641 6.805 -1.139 340 HA ARG 48 HA ARG 48 -14.363 8.498 -3.017 341 1HB ARG 48 1HB ARG 48 -14.816 10.138 -0.925 342 2HB ARG 48 2HB ARG 48 -15.812 9.850 -2.342 343 1HG ARG 48 1HG ARG 48 -17.279 9.759 -0.700 344 2HG ARG 48 2HG ARG 48 -16.966 8.038 -0.967 345 1HD ARG 48 1HD ARG 48 -15.445 8.002 0.983 346 2HD ARG 48 2HD ARG 48 -15.563 9.745 1.182 347 HE ARG 48 HE ARG 48 -17.355 7.695 2.144 348 1HH1 ARG 48 2HH2 ARG 48 -17.161 11.168 1.364 349 2HH1 ARG 48 1HH2 ARG 48 -18.466 11.621 2.386 350 1HH2 ARG 48 2HH1 ARG 48 -19.116 8.288 3.475 351 2HH2 ARG 48 1HH1 ARG 48 -19.613 9.929 3.624 352 H GLN 49 H GLN 49 -13.778 7.729 0.382 353 HA GLN 49 HA GLN 49 -11.471 9.328 0.868 354 1HB GLN 49 1HB GLN 49 -13.279 7.759 2.346 355 2HB GLN 49 2HB GLN 49 -11.817 6.795 2.422 356 1HG GLN 49 1HG GLN 49 -11.791 9.765 3.108 357 2HG GLN 49 2HG GLN 49 -12.363 8.557 4.255 358 1HE2 GLN 49 1HE2 GLN 49 -9.435 8.812 2.021 359 2HE2 GLN 49 2HE2 GLN 49 -8.342 8.216 3.196 360 H ALA 50 H ALA 50 -12.042 5.854 0.136 361 HA ALA 50 HA ALA 50 -9.502 4.974 -0.175 362 1HB ALA 50 1HB ALA 50 -11.710 3.703 -0.564 363 2HB ALA 50 2HB ALA 50 -11.646 4.291 -2.233 364 3HB ALA 50 3HB ALA 50 -10.361 3.264 -1.636 365 H ARG 51 H ARG 51 -11.422 6.496 -2.892 366 HA ARG 51 HA ARG 51 -9.108 6.316 -4.565 367 1HB ARG 51 1HB ARG 51 -11.877 7.237 -4.974 368 2HB ARG 51 2HB ARG 51 -10.696 8.256 -5.799 369 1HG ARG 51 1HG ARG 51 -9.598 6.149 -6.697 370 2HG ARG 51 2HG ARG 51 -10.975 5.235 -6.060 371 1HD ARG 51 1HD ARG 51 -12.499 6.480 -7.525 372 2HD ARG 51 2HD ARG 51 -11.184 7.528 -8.068 373 HE ARG 51 HE ARG 51 -11.739 4.767 -8.859 374 1HH1 ARG 51 2HH2 ARG 51 -9.342 7.437 -9.042 375 2HH1 ARG 51 1HH2 ARG 51 -8.483 6.767 -10.335 376 1HH2 ARG 51 2HH1 ARG 51 -10.544 3.850 -10.619 377 2HH2 ARG 51 1HH1 ARG 51 -9.172 4.666 -11.246 378 H GLU 52 H GLU 52 -9.970 8.839 -2.226 379 HA GLU 52 HA GLU 52 -7.744 10.405 -3.461 380 1HB GLU 52 1HB GLU 52 -9.553 11.634 -2.207 381 2HB GLU 52 2HB GLU 52 -9.000 10.837 -0.721 382 1HG GLU 52 1HG GLU 52 -6.690 11.831 -1.118 383 2HG GLU 52 2HG GLU 52 -7.300 12.622 -2.551 384 H ASP 53 H ASP 53 -8.100 8.146 -0.726 385 HA ASP 53 HA ASP 53 -5.464 8.364 0.194 386 1HB ASP 53 1HB ASP 53 -7.759 6.403 0.306 387 2HB ASP 53 2HB ASP 53 -6.250 5.612 0.291 388 H ILE 54 H ILE 54 -6.659 7.007 -2.721 389 HA ILE 54 HA ILE 54 -4.134 5.676 -3.228 390 HB ILE 54 HB ILE 54 -6.595 6.221 -4.973 391 1HG1 ILE 54 1HG1 ILE 54 -5.645 3.514 -3.969 392 2HG1 ILE 54 2HG1 ILE 54 -6.764 4.518 -3.096 393 1HG2 ILE 54 1HG2 ILE 54 -4.706 6.097 -6.510 394 2HG2 ILE 54 2HG2 ILE 54 -4.105 4.642 -5.720 395 3HG2 ILE 54 3HG2 ILE 54 -5.625 4.613 -6.653 396 1HD1 ILE 54 1HD1 ILE 54 -7.191 3.104 -5.672 397 2HD1 ILE 54 2HD1 ILE 54 -8.289 3.365 -4.276 398 3HD1 ILE 54 3HD1 ILE 54 -8.042 4.637 -5.453 399 H GLN 55 H GLN 55 -6.044 8.508 -4.495 400 HA GLN 55 HA GLN 55 -3.960 8.876 -6.452 401 1HB GLN 55 1HB GLN 55 -6.570 10.281 -5.824 402 2HB GLN 55 2HB GLN 55 -5.480 10.806 -7.103 403 1HG GLN 55 1HG GLN 55 -5.527 8.674 -8.214 404 2HG GLN 55 2HG GLN 55 -6.466 7.934 -6.918 405 1HE2 GLN 55 1HE2 GLN 55 -8.513 9.436 -6.414 406 2HE2 GLN 55 2HE2 GLN 55 -9.432 9.983 -7.827 407 H ASN 56 H ASN 56 -4.151 9.871 -3.183 408 HA ASN 56 HA ASN 56 -2.384 12.146 -3.863 409 1HB ASN 56 1HB ASN 56 -2.958 10.658 -1.232 410 2HB ASN 56 2HB ASN 56 -1.873 12.042 -1.352 411 1HD2 ASN 56 1HD2 ASN 56 -4.105 13.296 -3.311 412 2HD2 ASN 56 2HD2 ASN 56 -5.205 13.940 -2.108 413 H GLY 57 H GLY 57 -0.323 12.113 -4.025 414 1HA GLY 57 1HA GLY 57 1.358 9.853 -3.998 415 2HA GLY 57 2HA GLY 57 1.863 11.544 -3.802 416 H ALA 58 H ALA 58 -0.376 10.536 -1.451 417 HA ALA 58 HA ALA 58 1.550 10.482 0.753 418 1HB ALA 58 1HB ALA 58 -1.491 10.120 0.677 419 2HB ALA 58 2HB ALA 58 -0.498 10.300 2.129 420 3HB ALA 58 3HB ALA 58 -0.652 11.660 1.002 421 H ILE 59 H ILE 59 -0.043 8.163 -1.489 422 HA ILE 59 HA ILE 59 0.634 5.932 0.366 423 HB ILE 59 HB ILE 59 -1.413 6.150 -0.148 424 1HG1 ILE 59 1HG1 ILE 59 -0.785 3.968 0.145 425 2HG1 ILE 59 2HG1 ILE 59 -2.066 4.084 -1.039 426 1HG2 ILE 59 1HG2 ILE 59 -0.635 6.491 -3.041 427 2HG2 ILE 59 2HG2 ILE 59 -2.127 5.615 -2.726 428 3HG2 ILE 59 3HG2 ILE 59 -1.942 7.244 -2.102 429 1HD1 ILE 59 1HD1 ILE 59 0.775 3.478 -1.613 430 2HD1 ILE 59 2HD1 ILE 59 -0.671 2.470 -1.912 431 3HD1 ILE 59 3HD1 ILE 59 -0.404 3.915 -2.887 432 H TYR 60 H TYR 60 2.633 6.027 0.434 433 HA TYR 60 HA TYR 60 4.405 5.633 -1.805 434 1HB TYR 60 1HB TYR 60 4.818 5.479 1.182 435 2HB TYR 60 2HB TYR 60 6.095 5.498 -0.009 436 HD1 TYR 60 1HD TYR 60 6.823 7.593 -1.029 437 HD2 TYR 60 2HD TYR 60 3.429 7.532 1.648 438 HE1 TYR 60 1HE TYR 60 6.814 10.049 -0.981 439 HE2 TYR 60 2HE TYR 60 3.432 9.975 1.710 440 HH TYR 60 HH TYR 60 5.601 11.847 1.186 441 H VAL 61 H VAL 61 4.220 3.761 -2.841 442 HA VAL 61 HA VAL 61 3.463 1.314 -1.336 443 HB VAL 61 HB VAL 61 3.670 1.752 -4.353 444 1HG1 VAL 61 1HG1 VAL 61 3.065 -0.691 -2.637 445 2HG1 VAL 61 2HG1 VAL 61 2.667 -0.597 -4.355 446 3HG1 VAL 61 3HG1 VAL 61 4.358 -0.489 -3.842 447 1HG2 VAL 61 1HG2 VAL 61 1.435 1.487 -2.341 448 2HG2 VAL 61 2HG2 VAL 61 1.631 2.697 -3.646 449 3HG2 VAL 61 3HG2 VAL 61 1.154 1.024 -4.001 450 H ASN 62 H ASN 62 5.032 -0.107 -0.838 451 HA ASN 62 HA ASN 62 7.122 -1.090 -0.694 452 1HB ASN 62 1HB ASN 62 7.255 -0.265 -3.565 453 2HB ASN 62 2HB ASN 62 8.684 -0.855 -2.758 454 1HD2 ASN 62 1HD2 ASN 62 5.346 -1.901 -2.048 455 2HD2 ASN 62 2HD2 ASN 62 5.582 -3.474 -2.819 456 H GLY 63 H GLY 63 6.552 1.959 -0.203 457 1HA GLY 63 1HA GLY 63 7.902 3.384 1.192 458 2HA GLY 63 2HA GLY 63 9.346 2.785 0.375 459 H GLU 64 H GLU 64 7.076 3.278 -2.149 460 HA GLU 64 HA GLU 64 8.291 5.902 -2.684 461 1HB GLU 64 1HB GLU 64 9.558 4.012 -3.637 462 2HB GLU 64 2HB GLU 64 8.087 3.466 -4.431 463 1HG GLU 64 1HG GLU 64 9.519 4.619 -6.009 464 2HG GLU 64 2HG GLU 64 8.017 5.520 -5.797 465 H ARG 65 H ARG 65 6.873 7.376 -3.324 466 HA ARG 65 HA ARG 65 4.123 7.254 -3.228 467 1HB ARG 65 1HB ARG 65 5.377 9.293 -3.092 468 2HB ARG 65 2HB ARG 65 6.155 9.027 -4.632 469 1HG ARG 65 1HG ARG 65 3.257 9.229 -5.036 470 2HG ARG 65 2HG ARG 65 3.837 10.552 -4.040 471 1HD ARG 65 1HD ARG 65 3.936 11.236 -6.355 472 2HD ARG 65 2HD ARG 65 5.570 11.129 -5.703 473 HE ARG 65 HE ARG 65 5.523 8.763 -6.753 474 1HH1 ARG 65 2HH2 ARG 65 3.956 11.518 -8.330 475 2HH1 ARG 65 1HH2 ARG 65 4.018 10.819 -9.915 476 1HH2 ARG 65 2HH1 ARG 65 5.730 7.888 -8.735 477 2HH2 ARG 65 1HH1 ARG 65 5.138 8.638 -10.170 478 H LEU 66 H LEU 66 2.840 5.789 -4.413 479 HA LEU 66 HA LEU 66 2.891 6.130 -7.345 480 1HB LEU 66 1HB LEU 66 3.161 3.614 -5.758 481 2HB LEU 66 2HB LEU 66 2.420 3.672 -7.368 482 HG LEU 66 HG LEU 66 5.290 4.346 -6.686 483 1HD1 LEU 66 1HD1 LEU 66 4.066 2.172 -8.418 484 2HD1 LEU 66 2HD1 LEU 66 5.757 2.330 -7.922 485 3HD1 LEU 66 3HD1 LEU 66 4.478 1.939 -6.719 486 1HD2 LEU 66 1HD2 LEU 66 5.561 4.392 -9.220 487 2HD2 LEU 66 2HD2 LEU 66 3.810 4.489 -9.370 488 3HD2 LEU 66 3HD2 LEU 66 4.705 5.790 -8.567 489 H GLN 67 H GLN 67 0.951 7.186 -7.404 490 HA GLN 67 HA GLN 67 -1.316 6.325 -5.699 491 1HB GLN 67 1HB GLN 67 -1.768 8.746 -5.592 492 2HB GLN 67 2HB GLN 67 -0.101 8.516 -5.230 493 1HG GLN 67 1HG GLN 67 -1.529 9.779 -7.551 494 2HG GLN 67 2HG GLN 67 -0.448 10.489 -6.381 495 1HE2 GLN 67 1HE2 GLN 67 -0.594 8.536 -9.315 496 2HE2 GLN 67 2HE2 GLN 67 1.070 8.721 -9.772 497 H ASP 68 H ASP 68 -1.042 4.831 -8.010 498 HA ASP 68 HA ASP 68 -3.266 5.816 -9.691 499 1HB ASP 68 1HB ASP 68 -0.886 6.636 -10.407 500 2HB ASP 68 2HB ASP 68 -0.651 4.987 -10.962 501 H VAL 69 H VAL 69 -4.003 4.214 -11.183 502 HA VAL 69 HA VAL 69 -4.005 1.370 -10.275 503 HB VAL 69 HB VAL 69 -6.075 2.616 -10.872 504 1HG1 VAL 69 1HG1 VAL 69 -6.720 3.105 -13.155 505 2HG1 VAL 69 2HG1 VAL 69 -5.315 4.077 -12.701 506 3HG1 VAL 69 3HG1 VAL 69 -5.118 2.654 -13.746 507 1HG2 VAL 69 1HG2 VAL 69 -5.485 0.306 -12.737 508 2HG2 VAL 69 2HG2 VAL 69 -5.967 0.178 -11.032 509 3HG2 VAL 69 3HG2 VAL 69 -7.091 0.859 -12.224 510 H GLY 70 H GLY 70 -2.927 3.458 -12.951 511 1HA GLY 70 1HA GLY 70 -1.553 1.286 -14.315 512 2HA GLY 70 2HA GLY 70 -1.368 3.023 -14.626 513 H ALA 71 H ALA 71 -0.972 2.523 -11.390 514 HA ALA 71 HA ALA 71 1.946 2.103 -11.530 515 1HB ALA 71 1HB ALA 71 1.521 4.206 -10.436 516 2HB ALA 71 2HB ALA 71 0.418 3.428 -9.277 517 3HB ALA 71 3HB ALA 71 2.136 2.976 -9.325 518 H ILE 72 H ILE 72 -0.819 1.174 -9.212 519 HA ILE 72 HA ILE 72 0.410 -1.488 -9.355 520 HB ILE 72 HB ILE 72 -0.653 -0.392 -6.808 521 1HG1 ILE 72 1HG1 ILE 72 2.037 -0.208 -6.448 522 2HG1 ILE 72 2HG1 ILE 72 2.008 0.350 -8.051 523 1HG2 ILE 72 1HG2 ILE 72 1.440 -2.488 -7.547 524 2HG2 ILE 72 2HG2 ILE 72 0.945 -2.098 -5.885 525 3HG2 ILE 72 3HG2 ILE 72 -0.203 -2.828 -7.006 526 1HD1 ILE 72 1HD1 ILE 72 1.797 2.030 -6.090 527 2HD1 ILE 72 2HD1 ILE 72 0.606 2.269 -7.383 528 3HD1 ILE 72 3HD1 ILE 72 0.161 1.492 -5.864 529 H LEU 73 H LEU 73 -0.926 -3.153 -9.646 530 HA LEU 73 HA LEU 73 -3.739 -2.926 -8.848 531 1HB LEU 73 1HB LEU 73 -2.414 -4.917 -10.658 532 2HB LEU 73 2HB LEU 73 -4.105 -4.897 -10.185 533 HG LEU 73 HG LEU 73 -2.761 -2.590 -11.661 534 1HD1 LEU 73 1HD1 LEU 73 -4.703 -4.644 -12.789 535 2HD1 LEU 73 2HD1 LEU 73 -3.890 -3.314 -13.654 536 3HD1 LEU 73 3HD1 LEU 73 -2.955 -4.678 -13.068 537 1HD2 LEU 73 1HD2 LEU 73 -5.650 -3.061 -11.013 538 2HD2 LEU 73 2HD2 LEU 73 -4.573 -1.682 -10.543 539 3HD2 LEU 73 3HD2 LEU 73 -5.056 -1.908 -12.217 540 H THR 74 H THR 74 -1.605 -5.858 -8.846 541 HA THR 74 HA THR 74 -2.007 -5.968 -5.933 542 HB THR 74 HB THR 74 -1.644 -8.486 -6.516 543 HG1 THR 74 1HG THR 74 -2.148 -8.970 -8.610 544 1HG2 THR 74 1HG2 THR 74 -4.083 -8.585 -7.003 545 2HG2 THR 74 2HG2 THR 74 -3.686 -7.453 -5.727 546 3HG2 THR 74 3HG2 THR 74 -4.045 -6.835 -7.330 547 H ALA 75 H ALA 75 -0.442 -7.960 -5.188 548 HA ALA 75 HA ALA 75 2.035 -6.834 -4.711 549 1HB ALA 75 1HB ALA 75 1.017 -9.732 -4.623 550 2HB ALA 75 2HB ALA 75 2.570 -9.227 -3.965 551 3HB ALA 75 3HB ALA 75 1.063 -8.581 -3.269 552 H GLU 76 H GLU 76 1.453 -9.516 -7.049 553 HA GLU 76 HA GLU 76 4.198 -9.439 -7.976 554 1HB GLU 76 1HB GLU 76 3.438 -10.898 -9.753 555 2HB GLU 76 2HB GLU 76 2.813 -11.437 -8.208 556 1HG GLU 76 1HG GLU 76 0.607 -10.248 -8.775 557 2HG GLU 76 2HG GLU 76 1.270 -9.934 -10.378 558 H HIS 77 H HIS 77 1.609 -7.286 -8.415 559 HA HIS 77 HA HIS 77 2.472 -6.380 -11.112 560 1HB HIS 77 1HB HIS 77 0.071 -6.435 -10.436 561 2HB HIS 77 2HB HIS 77 0.433 -5.255 -9.193 562 HD1 HIS 77 1HD HIS 77 1.752 -2.880 -10.378 563 HD2 HIS 77 2HD HIS 77 -0.976 -5.281 -12.462 564 HE1 HIS 77 1HE HIS 77 0.375 -1.318 -11.779 565 H ARG 78 H ARG 78 3.364 -6.030 -7.737 566 HA ARG 78 HA ARG 78 4.552 -3.365 -8.293 567 1HB ARG 78 1HB ARG 78 2.821 -3.808 -6.381 568 2HB ARG 78 2HB ARG 78 4.118 -4.630 -5.590 569 1HG ARG 78 1HG ARG 78 3.754 -1.670 -6.100 570 2HG ARG 78 2HG ARG 78 4.162 -2.545 -4.650 571 1HD ARG 78 1HD ARG 78 6.078 -1.333 -5.207 572 2HD ARG 78 2HD ARG 78 6.395 -3.037 -5.619 573 HE ARG 78 HE ARG 78 5.614 -1.365 -7.884 574 1HH1 ARG 78 2HH2 ARG 78 8.308 -2.425 -5.790 575 2HH1 ARG 78 1HH2 ARG 78 9.523 -2.104 -6.976 576 1HH2 ARG 78 2HH1 ARG 78 7.151 -1.247 -9.509 577 2HH2 ARG 78 1HH1 ARG 78 8.788 -1.788 -9.269 578 H LEU 79 H LEU 79 5.443 -6.171 -6.061 579 HA LEU 79 HA LEU 79 8.211 -5.809 -6.856 580 1HB LEU 79 1HB LEU 79 8.251 -7.495 -4.804 581 2HB LEU 79 2HB LEU 79 8.221 -5.748 -4.621 582 HG LEU 79 HG LEU 79 5.550 -7.162 -4.468 583 1HD1 LEU 79 1HD1 LEU 79 5.871 -7.640 -2.108 584 2HD1 LEU 79 2HD1 LEU 79 7.210 -8.478 -2.952 585 3HD1 LEU 79 3HD1 LEU 79 7.430 -6.957 -2.057 586 1HD2 LEU 79 1HD2 LEU 79 6.921 -4.993 -2.851 587 2HD2 LEU 79 2HD2 LEU 79 5.902 -4.689 -4.278 588 3HD2 LEU 79 3HD2 LEU 79 5.214 -5.408 -2.827 589 H GLU 80 H GLU 80 9.320 -7.932 -6.781 590 HA GLU 80 HA GLU 80 9.200 -9.618 -8.704 591 1HB GLU 80 1HB GLU 80 10.288 -11.270 -7.247 592 2HB GLU 80 2HB GLU 80 10.811 -9.610 -6.943 593 1HG GLU 80 1HG GLU 80 9.112 -9.572 -4.991 594 2HG GLU 80 2HG GLU 80 8.970 -11.302 -5.224 595 H GLY 81 H GLY 81 7.186 -10.319 -5.837 596 1HA GLY 81 1HA GLY 81 4.892 -11.331 -6.821 597 2HA GLY 81 2HA GLY 81 6.029 -12.662 -7.098 598 H ARG 82 H ARG 82 5.144 -10.349 -4.477 599 HA ARG 82 HA ARG 82 4.689 -12.646 -2.714 600 1HB ARG 82 1HB ARG 82 6.806 -10.576 -1.983 601 2HB ARG 82 2HB ARG 82 5.952 -11.517 -0.770 602 1HG ARG 82 1HG ARG 82 7.683 -12.716 -2.961 603 2HG ARG 82 2HG ARG 82 8.197 -12.401 -1.315 604 1HD ARG 82 1HD ARG 82 6.451 -13.907 -0.424 605 2HD ARG 82 2HD ARG 82 5.920 -14.293 -2.063 606 HE ARG 82 HE ARG 82 8.148 -15.411 -0.629 607 1HH1 ARG 82 2HH2 ARG 82 6.941 -14.738 -3.953 608 2HH1 ARG 82 1HH2 ARG 82 8.012 -15.883 -4.677 609 1HH2 ARG 82 2HH1 ARG 82 9.552 -16.822 -1.606 610 2HH2 ARG 82 1HH1 ARG 82 9.424 -17.227 -3.303 611 H PHE 83 H PHE 83 5.150 -9.224 -1.924 612 HA PHE 83 HA PHE 83 2.312 -9.118 -1.008 613 1HB PHE 83 1HB PHE 83 4.756 -8.016 0.426 614 2HB PHE 83 2HB PHE 83 3.092 -8.092 1.001 615 HD1 PHE 83 1HD PHE 83 5.694 -9.051 2.395 616 HD2 PHE 83 2HD PHE 83 2.636 -11.122 0.141 617 HE1 PHE 83 1HE PHE 83 6.061 -11.109 3.712 618 HE2 PHE 83 2HE PHE 83 3.043 -13.127 1.438 619 HZ PHE 83 HZ PHE 83 4.705 -13.131 3.259 620 H THR 84 H THR 84 2.311 -6.538 -0.015 621 HA THR 84 HA THR 84 3.894 -4.682 -1.506 622 HB THR 84 HB THR 84 1.229 -5.382 -2.461 623 HG1 THR 84 1HG THR 84 3.019 -5.458 -3.624 624 1HG2 THR 84 1HG2 THR 84 1.856 -2.411 -2.110 625 2HG2 THR 84 2HG2 THR 84 0.611 -3.076 -3.190 626 3HG2 THR 84 3HG2 THR 84 0.454 -3.252 -1.438 627 H VAL 85 H VAL 85 4.522 -3.284 -0.194 628 HA VAL 85 HA VAL 85 3.263 -2.791 2.404 629 HB VAL 85 HB VAL 85 5.628 -1.478 0.946 630 1HG1 VAL 85 1HG1 VAL 85 4.955 -1.355 3.914 631 2HG1 VAL 85 2HG1 VAL 85 6.389 -0.660 3.118 632 3HG1 VAL 85 3HG1 VAL 85 4.790 -0.013 2.762 633 1HG2 VAL 85 1HG2 VAL 85 7.064 -2.846 2.373 634 2HG2 VAL 85 2HG2 VAL 85 5.636 -3.672 3.030 635 3HG2 VAL 85 3HG2 VAL 85 6.085 -3.848 1.317 636 H ILE 86 H ILE 86 1.879 -1.094 2.755 637 HA ILE 86 HA ILE 86 1.485 0.994 0.674 638 HB ILE 86 HB ILE 86 -0.273 -0.434 2.710 639 1HG1 ILE 86 1HG1 ILE 86 0.017 -1.685 0.556 640 2HG1 ILE 86 2HG1 ILE 86 -1.650 -1.164 0.819 641 1HG2 ILE 86 1HG2 ILE 86 -2.163 0.994 1.654 642 2HG2 ILE 86 2HG2 ILE 86 -1.084 1.744 2.822 643 3HG2 ILE 86 3HG2 ILE 86 -0.829 2.048 1.093 644 1HD1 ILE 86 1HD1 ILE 86 -0.926 -0.824 -1.533 645 2HD1 ILE 86 2HD1 ILE 86 -1.373 0.700 -0.753 646 3HD1 ILE 86 3HD1 ILE 86 0.336 0.277 -0.971 647 H ARG 87 H ARG 87 2.744 2.697 1.521 648 HA ARG 87 HA ARG 87 2.361 3.272 4.443 649 1HB ARG 87 1HB ARG 87 4.664 3.244 4.175 650 2HB ARG 87 2HB ARG 87 4.623 3.881 2.554 651 1HG ARG 87 1HG ARG 87 4.009 6.140 3.461 652 2HG ARG 87 2HG ARG 87 4.087 5.505 5.085 653 1HD ARG 87 1HD ARG 87 6.361 5.505 3.056 654 2HD ARG 87 2HD ARG 87 6.089 6.777 4.260 655 HE ARG 87 HE ARG 87 6.245 4.553 5.808 656 1HH1 ARG 87 2HH2 ARG 87 8.429 5.931 3.346 657 2HH1 ARG 87 1HH2 ARG 87 9.870 5.501 4.164 658 1HH2 ARG 87 2HH1 ARG 87 8.181 4.167 7.013 659 2HH2 ARG 87 1HH1 ARG 87 9.726 4.448 6.329 660 H ARG 88 H ARG 88 0.234 3.777 4.058 661 HA ARG 88 HA ARG 88 -0.610 5.914 2.262 662 1HB ARG 88 1HB ARG 88 -1.819 3.729 2.662 663 2HB ARG 88 2HB ARG 88 -2.002 4.126 4.348 664 1HG ARG 88 1HG ARG 88 -4.068 4.795 3.630 665 2HG ARG 88 2HG ARG 88 -3.216 6.308 3.294 666 1HD ARG 88 1HD ARG 88 -4.451 5.715 1.326 667 2HD ARG 88 2HD ARG 88 -2.780 5.484 0.995 668 HE ARG 88 HE ARG 88 -3.712 3.053 1.947 669 1HH1 ARG 88 2HH2 ARG 88 -4.334 4.981 -0.927 670 2HH1 ARG 88 1HH2 ARG 88 -4.702 3.658 -1.970 671 1HH2 ARG 88 2HH1 ARG 88 -3.830 1.223 0.487 672 2HH2 ARG 88 1HH1 ARG 88 -4.318 1.470 -1.142 673 H GLY 89 H GLY 89 0.448 7.752 3.191 674 1HA GLY 89 1HA GLY 89 0.881 8.250 5.868 675 2HA GLY 89 2HA GLY 89 0.676 9.511 4.638 676 H LYS 90 H LYS 90 -2.197 8.604 4.161 677 HA LYS 90 HA LYS 90 -3.582 10.123 6.076 678 1HB LYS 90 1HB LYS 90 -4.379 9.527 3.811 679 2HB LYS 90 2HB LYS 90 -4.717 7.882 4.363 680 1HG LYS 90 1HG LYS 90 -5.844 10.244 5.883 681 2HG LYS 90 2HG LYS 90 -6.580 9.820 4.348 682 1HD LYS 90 1HD LYS 90 -7.508 7.861 5.126 683 2HD LYS 90 2HD LYS 90 -6.205 7.529 6.238 684 1HE LYS 90 1HE LYS 90 -8.196 8.064 7.516 685 2HE LYS 90 2HE LYS 90 -6.946 9.298 7.767 686 1HZ LYS 90 1HZ LYS 90 -9.284 9.538 5.980 687 2HZ LYS 90 2HZ LYS 90 -9.066 10.317 7.437 688 3HZ LYS 90 3HZ LYS 90 -8.128 10.698 6.162 689 H LYS 91 H LYS 91 -2.525 6.736 6.347 690 HA LYS 91 HA LYS 91 -3.870 6.632 8.975 691 1HB LYS 91 1HB LYS 91 -5.394 5.607 7.230 692 2HB LYS 91 2HB LYS 91 -4.162 4.391 6.949 693 1HG LYS 91 1HG LYS 91 -5.675 3.394 8.460 694 2HG LYS 91 2HG LYS 91 -4.324 3.873 9.491 695 1HD LYS 91 1HD LYS 91 -5.684 5.970 10.085 696 2HD LYS 91 2HD LYS 91 -7.015 5.273 9.138 697 1HE LYS 91 1HE LYS 91 -6.826 3.195 10.613 698 2HE LYS 91 2HE LYS 91 -5.665 4.083 11.606 699 1HZ LYS 91 1HZ LYS 91 -7.422 5.742 11.987 700 2HZ LYS 91 2HZ LYS 91 -8.496 4.803 11.156 701 3HZ LYS 91 3HZ LYS 91 -7.818 4.269 12.566 702 H LYS 92 H LYS 92 -1.830 4.134 7.015 703 HA LYS 92 HA LYS 92 0.194 4.306 8.958 704 1HB LYS 92 1HB LYS 92 -2.070 2.806 9.691 705 2HB LYS 92 2HB LYS 92 -1.125 1.626 8.837 706 1HG LYS 92 1HG LYS 92 -0.479 1.395 11.076 707 2HG LYS 92 2HG LYS 92 0.857 2.305 10.410 708 1HD LYS 92 1HD LYS 92 -1.492 3.718 11.696 709 2HD LYS 92 2HD LYS 92 -0.319 2.924 12.725 710 1HE LYS 92 1HE LYS 92 0.384 5.138 10.748 711 2HE LYS 92 2HE LYS 92 0.000 5.388 12.449 712 1HZ LYS 92 1HZ LYS 92 2.270 3.756 11.493 713 2HZ LYS 92 2HZ LYS 92 2.379 5.264 12.092 714 3HZ LYS 92 3HZ LYS 92 1.867 4.028 13.063 715 H TYR 93 H TYR 93 1.220 1.996 8.607 716 HA TYR 93 HA TYR 93 2.034 1.775 5.771 717 1HB TYR 93 1HB TYR 93 3.415 0.557 8.091 718 2HB TYR 93 2HB TYR 93 3.921 0.616 6.395 719 HD1 TYR 93 1HD TYR 93 3.023 3.946 6.696 720 HD2 TYR 93 2HD TYR 93 5.737 1.126 8.504 721 HE1 TYR 93 1HE TYR 93 4.566 5.786 7.305 722 HE2 TYR 93 2HE TYR 93 7.310 2.904 9.022 723 HH TYR 93 HH TYR 93 6.769 6.304 7.978 724 H TYR 94 H TYR 94 0.049 0.463 5.218 725 HA TYR 94 HA TYR 94 -0.496 -2.042 6.755 726 1HB TYR 94 1HB TYR 94 -1.761 -0.536 4.436 727 2HB TYR 94 2HB TYR 94 -2.238 -2.135 4.876 728 HD1 TYR 94 1HD TYR 94 -2.433 1.380 5.810 729 HD2 TYR 94 2HD TYR 94 -3.190 -2.664 7.136 730 HE1 TYR 94 1HE TYR 94 -3.933 2.227 7.586 731 HE2 TYR 94 2HE TYR 94 -4.706 -1.821 8.878 732 HH TYR 94 HH TYR 94 -5.445 0.073 10.004 733 H LEU 95 H LEU 95 -0.976 -3.908 5.399 734 HA LEU 95 HA LEU 95 1.159 -4.363 3.420 735 1HB LEU 95 1HB LEU 95 1.857 -5.198 5.568 736 2HB LEU 95 2HB LEU 95 0.359 -6.063 5.791 737 HG LEU 95 HG LEU 95 0.940 -7.649 4.015 738 1HD1 LEU 95 1HD1 LEU 95 3.267 -5.763 3.541 739 2HD1 LEU 95 2HD1 LEU 95 3.311 -7.471 3.053 740 3HD1 LEU 95 3HD1 LEU 95 2.099 -6.391 2.362 741 1HD2 LEU 95 1HD2 LEU 95 1.906 -7.997 6.326 742 2HD2 LEU 95 2HD2 LEU 95 2.888 -8.709 5.039 743 3HD2 LEU 95 3HD2 LEU 95 3.371 -7.174 5.801 744 H ILE 96 H ILE 96 0.511 -5.499 1.679 745 HA ILE 96 HA ILE 96 -2.280 -6.591 1.494 746 HB ILE 96 HB ILE 96 -0.621 -4.972 -0.452 747 1HG1 ILE 96 1HG1 ILE 96 -1.482 -3.472 1.248 748 2HG1 ILE 96 2HG1 ILE 96 -2.256 -3.168 -0.300 749 1HG2 ILE 96 1HG2 ILE 96 -3.446 -5.921 -0.911 750 2HG2 ILE 96 2HG2 ILE 96 -2.476 -4.880 -1.981 751 3HG2 ILE 96 3HG2 ILE 96 -1.978 -6.539 -1.698 752 1HD1 ILE 96 1HD1 ILE 96 -3.513 -4.653 2.049 753 2HD1 ILE 96 2HD1 ILE 96 -3.857 -2.996 1.538 754 3HD1 ILE 96 3HD1 ILE 96 -4.302 -4.350 0.491 755 H ARG 97 H ARG 97 -2.145 -8.788 0.834 756 HA ARG 97 HA ARG 97 -0.046 -9.513 -1.091 757 1HB ARG 97 1HB ARG 97 0.231 -11.558 0.405 758 2HB ARG 97 2HB ARG 97 0.960 -10.054 0.951 759 1HG ARG 97 1HG ARG 97 -0.650 -9.763 2.661 760 2HG ARG 97 2HG ARG 97 -1.669 -11.067 2.024 761 1HD ARG 97 1HD ARG 97 0.059 -12.727 2.538 762 2HD ARG 97 2HD ARG 97 1.165 -11.436 3.057 763 HE ARG 97 HE ARG 97 -1.292 -11.316 4.539 764 1HH1 ARG 97 2HH2 ARG 97 1.744 -13.263 4.385 765 2HH1 ARG 97 1HH2 ARG 97 1.994 -12.997 6.097 766 1HH2 ARG 97 2HH1 ARG 97 -1.186 -11.726 6.783 767 2HH2 ARG 97 1HH1 ARG 97 0.031 -12.812 7.393 768 H TYR 98 H TYR 98 -0.371 -11.911 -1.787 769 HA TYR 98 HA TYR 98 -3.192 -12.578 -1.893 770 1HB TYR 98 1HB TYR 98 -2.361 -13.994 -3.834 771 2HB TYR 98 2HB TYR 98 -2.677 -12.300 -4.123 772 HD1 TYR 98 1HD TYR 98 -1.279 -11.625 -5.853 773 HD2 TYR 98 2HD TYR 98 0.371 -14.240 -2.805 774 HE1 TYR 98 1HE TYR 98 0.913 -11.609 -6.963 775 HE2 TYR 98 2HE TYR 98 2.540 -14.127 -3.869 776 HH TYR 98 HH TYR 98 3.399 -13.845 -6.120 777 H ALA 99 H ALA 99 -3.426 -14.902 -1.983 778 HA ALA 99 HA ALA 99 -1.445 -16.596 -0.793 779 1HB ALA 99 1HB ALA 99 -4.370 -16.224 0.020 780 2HB ALA 99 2HB ALA 99 -3.430 -17.657 0.472 781 3HB ALA 99 3HB ALA 99 -2.932 -16.068 1.056 Start of MODEL 20 1 1H ALA 1 1H ALA 1 15.454 -15.091 -7.377 2 2H ALA 1 2H ALA 1 14.835 -14.257 -8.669 3 3H ALA 1 3H ALA 1 16.309 -13.865 -8.054 4 HA ALA 1 HA ALA 1 13.703 -13.553 -6.769 5 1HB ALA 1 1HB ALA 1 14.846 -12.565 -4.855 6 2HB ALA 1 2HB ALA 1 15.425 -14.215 -5.116 7 3HB ALA 1 3HB ALA 1 16.431 -12.837 -5.621 8 H LEU 2 H LEU 2 15.611 -10.917 -6.058 9 HA LEU 2 HA LEU 2 14.527 -9.267 -8.222 10 1HB LEU 2 1HB LEU 2 16.399 -8.739 -5.864 11 2HB LEU 2 2HB LEU 2 16.110 -7.566 -7.141 12 HG LEU 2 HG LEU 2 13.670 -7.605 -6.653 13 1HD1 LEU 2 1HD1 LEU 2 14.497 -9.191 -4.178 14 2HD1 LEU 2 2HD1 LEU 2 12.925 -8.401 -4.417 15 3HD1 LEU 2 3HD1 LEU 2 13.392 -9.728 -5.464 16 1HD2 LEU 2 1HD2 LEU 2 13.899 -6.194 -4.618 17 2HD2 LEU 2 2HD2 LEU 2 15.539 -6.838 -4.373 18 3HD2 LEU 2 3HD2 LEU 2 15.175 -5.843 -5.797 19 H PHE 3 H PHE 3 15.768 -8.347 -9.836 20 HA PHE 3 HA PHE 3 18.644 -8.887 -10.100 21 1HB PHE 3 1HB PHE 3 17.511 -10.754 -11.320 22 2HB PHE 3 2HB PHE 3 16.625 -9.584 -12.273 23 HD1 PHE 3 1HD PHE 3 17.536 -8.934 -14.393 24 HD2 PHE 3 2HD PHE 3 20.132 -10.573 -11.363 25 HE1 PHE 3 1HE PHE 3 19.418 -8.988 -16.008 26 HE2 PHE 3 2HE PHE 3 22.008 -10.595 -12.977 27 HZ PHE 3 HZ PHE 3 21.648 -9.815 -15.314 28 H SER 4 H SER 4 15.651 -7.447 -11.464 29 HA SER 4 HA SER 4 16.979 -4.987 -12.321 30 1HB SER 4 1HB SER 4 14.047 -5.775 -11.959 31 2HB SER 4 2HB SER 4 14.615 -4.234 -12.613 32 HG SER 4 HG SER 4 14.904 -6.842 -13.716 33 H GLY 5 H GLY 5 15.904 -2.913 -11.248 34 1HA GLY 5 1HA GLY 5 17.024 -2.985 -8.545 35 2HA GLY 5 2HA GLY 5 16.636 -1.575 -9.541 36 H ASP 6 H ASP 6 14.766 -4.372 -8.242 37 HA ASP 6 HA ASP 6 12.505 -2.611 -7.632 38 1HB ASP 6 1HB ASP 6 12.784 -5.521 -6.798 39 2HB ASP 6 2HB ASP 6 11.327 -4.548 -6.808 40 H ILE 7 H ILE 7 11.579 -3.228 -5.290 41 HA ILE 7 HA ILE 7 13.073 -1.804 -3.351 42 HB ILE 7 HB ILE 7 11.137 -2.380 -1.902 43 1HG1 ILE 7 1HG1 ILE 7 9.110 -3.113 -3.637 44 2HG1 ILE 7 2HG1 ILE 7 10.370 -4.119 -4.288 45 1HG2 ILE 7 1HG2 ILE 7 11.332 -0.370 -3.316 46 2HG2 ILE 7 2HG2 ILE 7 10.503 -1.220 -4.639 47 3HG2 ILE 7 3HG2 ILE 7 9.666 -0.882 -3.111 48 1HD1 ILE 7 1HD1 ILE 7 9.214 -5.470 -2.788 49 2HD1 ILE 7 2HD1 ILE 7 10.637 -5.115 -1.950 50 3HD1 ILE 7 3HD1 ILE 7 9.136 -4.228 -1.537 51 H ALA 8 H ALA 8 15.021 -2.980 -3.448 52 HA ALA 8 HA ALA 8 15.275 -5.617 -2.344 53 1HB ALA 8 1HB ALA 8 16.873 -4.750 -3.990 54 2HB ALA 8 2HB ALA 8 17.365 -3.459 -2.872 55 3HB ALA 8 3HB ALA 8 17.723 -5.154 -2.484 56 H ASN 9 H ASN 9 14.917 -2.592 -0.934 57 HA ASN 9 HA ASN 9 16.161 -3.224 1.642 58 1HB ASN 9 1HB ASN 9 14.376 -0.990 0.553 59 2HB ASN 9 2HB ASN 9 14.679 -1.170 2.261 60 1HD2 ASN 9 1HD2 ASN 9 16.436 -1.003 -0.816 61 2HD2 ASN 9 2HD2 ASN 9 17.932 -0.380 -0.103 62 H LEU 10 H LEU 10 13.132 -3.776 0.000 63 HA LEU 10 HA LEU 10 11.699 -4.408 2.547 64 1HB LEU 10 1HB LEU 10 11.009 -3.777 -0.284 65 2HB LEU 10 2HB LEU 10 9.824 -4.364 0.843 66 HG LEU 10 HG LEU 10 9.795 -2.037 0.319 67 1HD1 LEU 10 1HD1 LEU 10 10.215 -2.631 3.280 68 2HD1 LEU 10 2HD1 LEU 10 9.327 -1.234 2.642 69 3HD1 LEU 10 3HD1 LEU 10 8.719 -2.871 2.355 70 1HD2 LEU 10 1HD2 LEU 10 12.234 -1.606 2.031 71 2HD2 LEU 10 2HD2 LEU 10 12.129 -1.405 0.251 72 3HD2 LEU 10 3HD2 LEU 10 11.196 -0.367 1.337 73 H THR 11 H THR 11 12.987 -6.579 2.701 74 HA THR 11 HA THR 11 12.353 -8.630 0.782 75 HB THR 11 HB THR 11 13.234 -9.252 3.542 76 HG1 THR 11 1HG THR 11 14.813 -7.929 3.574 77 1HG2 THR 11 1HG2 THR 11 13.272 -11.011 1.844 78 2HG2 THR 11 2HG2 THR 11 14.298 -9.999 0.806 79 3HG2 THR 11 3HG2 THR 11 14.922 -10.606 2.348 80 H ALA 12 H ALA 12 11.419 -10.660 1.975 81 HA ALA 12 HA ALA 12 8.600 -10.139 2.590 82 1HB ALA 12 1HB ALA 12 9.312 -12.206 1.385 83 2HB ALA 12 2HB ALA 12 10.241 -12.723 2.811 84 3HB ALA 12 3HB ALA 12 8.477 -12.614 2.896 85 H ALA 13 H ALA 13 11.210 -11.380 4.663 86 HA ALA 13 HA ALA 13 9.515 -11.232 7.025 87 1HB ALA 13 1HB ALA 13 11.614 -11.525 8.272 88 2HB ALA 13 2HB ALA 13 11.509 -12.704 6.949 89 3HB ALA 13 3HB ALA 13 12.552 -11.265 6.792 90 H GLU 14 H GLU 14 11.348 -8.913 5.169 91 HA GLU 14 HA GLU 14 11.727 -6.970 7.289 92 1HB GLU 14 1HB GLU 14 12.543 -7.405 4.531 93 2HB GLU 14 2HB GLU 14 11.717 -5.873 4.580 94 1HG GLU 14 1HG GLU 14 13.918 -5.257 4.993 95 2HG GLU 14 2HG GLU 14 13.281 -5.345 6.633 96 H ILE 15 H ILE 15 9.454 -7.530 4.529 97 HA ILE 15 HA ILE 15 7.862 -5.278 5.201 98 HB ILE 15 HB ILE 15 7.698 -7.642 3.275 99 1HG1 ILE 15 1HG1 ILE 15 7.386 -4.634 3.023 100 2HG1 ILE 15 2HG1 ILE 15 8.917 -5.469 2.864 101 1HG2 ILE 15 1HG2 ILE 15 5.449 -6.977 2.561 102 2HG2 ILE 15 2HG2 ILE 15 5.425 -7.581 4.197 103 3HG2 ILE 15 3HG2 ILE 15 5.346 -5.827 3.908 104 1HD1 ILE 15 1HD1 ILE 15 8.195 -6.623 0.860 105 2HD1 ILE 15 2HD1 ILE 15 6.531 -6.000 1.020 106 3HD1 ILE 15 3HD1 ILE 15 7.823 -4.893 0.662 107 H GLU 16 H GLU 16 7.387 -8.817 5.857 108 HA GLU 16 HA GLU 16 5.027 -8.269 7.335 109 1HB GLU 16 1HB GLU 16 7.041 -10.473 7.762 110 2HB GLU 16 2HB GLU 16 5.496 -10.323 8.634 111 1HG GLU 16 1HG GLU 16 4.378 -10.206 6.300 112 2HG GLU 16 2HG GLU 16 5.901 -10.847 5.671 113 H GLN 17 H GLN 17 8.462 -8.259 8.671 114 HA GLN 17 HA GLN 17 7.379 -7.812 11.351 115 1HB GLN 17 1HB GLN 17 10.164 -7.333 10.257 116 2HB GLN 17 2HB GLN 17 9.682 -7.295 11.957 117 1HG GLN 17 1HG GLN 17 9.448 -9.826 10.272 118 2HG GLN 17 2HG GLN 17 10.907 -9.391 11.155 119 1HE2 GLN 17 1HE2 GLN 17 10.978 -9.783 13.378 120 2HE2 GLN 17 2HE2 GLN 17 9.647 -10.448 14.292 121 H GLY 18 H GLY 18 8.280 -5.897 8.507 122 1HA GLY 18 1HA GLY 18 8.889 -3.467 9.751 123 2HA GLY 18 2HA GLY 18 8.380 -3.720 8.062 124 H PHE 19 H PHE 19 5.979 -4.942 8.361 125 HA PHE 19 HA PHE 19 4.410 -2.550 9.174 126 1HB PHE 19 1HB PHE 19 4.040 -4.495 6.909 127 2HB PHE 19 2HB PHE 19 3.062 -3.058 7.220 128 HD1 PHE 19 1HD PHE 19 5.835 -4.208 5.382 129 HD2 PHE 19 2HD PHE 19 4.656 -0.859 7.777 130 HE1 PHE 19 1HE PHE 19 7.817 -2.943 4.601 131 HE2 PHE 19 2HE PHE 19 6.543 0.461 6.878 132 HZ PHE 19 HZ PHE 19 8.166 -0.601 5.305 133 H LYS 20 H LYS 20 4.818 -5.593 10.306 134 HA LYS 20 HA LYS 20 2.313 -6.183 11.454 135 1HB LYS 20 1HB LYS 20 5.189 -6.859 11.930 136 2HB LYS 20 2HB LYS 20 4.163 -7.045 13.336 137 1HG LYS 20 1HG LYS 20 2.636 -8.503 12.225 138 2HG LYS 20 2HG LYS 20 3.345 -8.182 10.649 139 1HD LYS 20 1HD LYS 20 3.987 -10.356 11.340 140 2HD LYS 20 2HD LYS 20 5.434 -9.363 11.342 141 1HE LYS 20 1HE LYS 20 3.815 -9.825 13.881 142 2HE LYS 20 2HE LYS 20 4.953 -11.037 13.296 143 1HZ LYS 20 1HZ LYS 20 6.039 -9.672 14.859 144 2HZ LYS 20 2HZ LYS 20 6.709 -9.451 13.408 145 3HZ LYS 20 3HZ LYS 20 5.728 -8.271 14.024 146 H ASP 21 H ASP 21 3.110 -3.273 11.577 147 HA ASP 21 HA ASP 21 2.623 -2.466 14.386 148 1HB ASP 21 1HB ASP 21 3.996 -1.097 12.798 149 2HB ASP 21 2HB ASP 21 2.657 -1.039 11.667 150 H VAL 22 H VAL 22 1.057 -2.980 11.181 151 HA VAL 22 HA VAL 22 -1.628 -2.790 12.418 152 HB VAL 22 HB VAL 22 -0.711 -0.832 11.086 153 1HG1 VAL 22 1HG1 VAL 22 -1.269 -2.606 8.712 154 2HG1 VAL 22 2HG1 VAL 22 -0.836 -0.882 8.659 155 3HG1 VAL 22 3HG1 VAL 22 0.333 -2.082 9.255 156 1HG2 VAL 22 1HG2 VAL 22 -3.209 -1.234 11.518 157 2HG2 VAL 22 2HG2 VAL 22 -2.630 0.028 10.433 158 3HG2 VAL 22 3HG2 VAL 22 -3.247 -1.444 9.741 159 HA PRO 23 HA PRO 23 -1.934 -6.811 10.601 160 1HB PRO 23 1HB PRO 23 -4.526 -7.221 10.062 161 2HB PRO 23 2HB PRO 23 -4.011 -6.769 11.720 162 1HG PRO 23 1HG PRO 23 -5.141 -4.987 9.563 163 2HG PRO 23 2HG PRO 23 -5.571 -5.059 11.298 164 1HD PRO 23 1HD PRO 23 -3.726 -3.345 10.027 165 2HD PRO 23 2HD PRO 23 -3.781 -3.578 11.795 166 H SER 24 H SER 24 -2.924 -8.035 8.621 167 HA SER 24 HA SER 24 -2.094 -6.513 6.231 168 1HB SER 24 1HB SER 24 -1.452 -8.990 5.524 169 2HB SER 24 2HB SER 24 -0.401 -8.054 6.583 170 HG SER 24 HG SER 24 -0.850 -9.213 8.240 171 H PHE 25 H PHE 25 -2.900 -7.902 4.164 172 HA PHE 25 HA PHE 25 -5.503 -9.216 4.638 173 1HB PHE 25 1HB PHE 25 -5.987 -6.944 4.026 174 2HB PHE 25 2HB PHE 25 -4.880 -7.022 2.651 175 HD1 PHE 25 1HD PHE 25 -8.166 -8.290 3.960 176 HD2 PHE 25 2HD PHE 25 -5.581 -7.879 0.525 177 HE1 PHE 25 1HE PHE 25 -9.996 -9.053 2.467 178 HE2 PHE 25 2HE PHE 25 -7.405 -8.607 -0.947 179 HZ PHE 25 HZ PHE 25 -9.608 -9.229 0.011 180 H VAL 26 H VAL 26 -6.042 -10.635 2.776 181 HA VAL 26 HA VAL 26 -3.971 -11.077 0.868 182 HB VAL 26 HB VAL 26 -3.561 -12.470 2.848 183 1HG1 VAL 26 1HG1 VAL 26 -6.133 -13.893 2.138 184 2HG1 VAL 26 2HG1 VAL 26 -4.877 -14.496 3.228 185 3HG1 VAL 26 3HG1 VAL 26 -5.755 -13.014 3.641 186 1HG2 VAL 26 1HG2 VAL 26 -3.116 -14.535 1.612 187 2HG2 VAL 26 2HG2 VAL 26 -4.267 -14.032 0.348 188 3HG2 VAL 26 3HG2 VAL 26 -2.762 -13.121 0.622 189 H HIS 27 H HIS 27 -4.974 -11.437 -1.200 190 HA HIS 27 HA HIS 27 -7.739 -12.499 -1.062 191 1HB HIS 27 1HB HIS 27 -7.937 -11.602 -3.405 192 2HB HIS 27 2HB HIS 27 -8.093 -10.482 -2.058 193 HD1 HIS 27 1HD HIS 27 -7.714 -8.721 -4.100 194 HD2 HIS 27 2HD HIS 27 -4.438 -11.121 -3.031 195 HE1 HIS 27 1HE HIS 27 -5.600 -7.547 -4.936 196 H GLU 28 H GLU 28 -8.181 -14.167 -2.274 197 HA GLU 28 HA GLU 28 -5.943 -15.658 -3.546 198 1HB GLU 28 1HB GLU 28 -7.339 -16.975 -2.080 199 2HB GLU 28 2HB GLU 28 -8.778 -16.631 -3.046 200 1HG GLU 28 1HG GLU 28 -7.958 -17.846 -4.926 201 2HG GLU 28 2HG GLU 28 -6.287 -17.659 -4.447 202 H GLY 29 H GLY 29 -5.791 -13.783 -4.804 203 1HA GLY 29 1HA GLY 29 -7.675 -13.732 -7.134 204 2HA GLY 29 2HA GLY 29 -7.228 -12.251 -6.258 205 H GLY 30 H GLY 30 -6.914 -12.856 -9.094 206 1HA GLY 30 1HA GLY 30 -4.049 -12.742 -9.571 207 2HA GLY 30 2HA GLY 30 -5.389 -12.622 -10.739 208 H ASP 31 H ASP 31 -4.622 -10.668 -11.543 209 HA ASP 31 HA ASP 31 -3.714 -8.504 -9.872 210 1HB ASP 31 1HB ASP 31 -3.420 -7.147 -11.694 211 2HB ASP 31 2HB ASP 31 -2.942 -8.770 -12.196 212 H VAL 32 H VAL 32 -4.696 -6.542 -9.280 213 HA VAL 32 HA VAL 32 -7.575 -6.349 -9.497 214 HB VAL 32 HB VAL 32 -6.065 -7.382 -7.184 215 1HG1 VAL 32 1HG1 VAL 32 -7.873 -6.894 -5.541 216 2HG1 VAL 32 2HG1 VAL 32 -7.123 -5.412 -6.120 217 3HG1 VAL 32 3HG1 VAL 32 -8.707 -5.927 -6.751 218 1HG2 VAL 32 1HG2 VAL 32 -7.431 -9.002 -8.448 219 2HG2 VAL 32 2HG2 VAL 32 -8.046 -8.852 -6.822 220 3HG2 VAL 32 3HG2 VAL 32 -8.878 -8.025 -8.157 221 HA PRO 33 HA PRO 33 -6.438 -2.072 -9.251 222 1HB PRO 33 1HB PRO 33 -9.024 -1.877 -7.660 223 2HB PRO 33 2HB PRO 33 -8.481 -0.850 -9.008 224 1HG PRO 33 1HG PRO 33 -10.330 -2.790 -9.385 225 2HG PRO 33 2HG PRO 33 -9.019 -2.546 -10.595 226 1HD PRO 33 1HD PRO 33 -9.193 -4.654 -8.430 227 2HD PRO 33 2HD PRO 33 -8.625 -4.787 -10.121 228 H LEU 34 H LEU 34 -4.916 -1.124 -7.814 229 HA LEU 34 HA LEU 34 -4.654 -1.733 -5.165 230 1HB LEU 34 1HB LEU 34 -3.312 0.009 -4.823 231 2HB LEU 34 2HB LEU 34 -3.049 -0.578 -6.444 232 HG LEU 34 HG LEU 34 -4.307 1.967 -5.533 233 1HD1 LEU 34 1HD1 LEU 34 -1.909 1.939 -5.596 234 2HD1 LEU 34 2HD1 LEU 34 -1.949 1.460 -7.313 235 3HD1 LEU 34 3HD1 LEU 34 -2.544 3.052 -6.811 236 1HD2 LEU 34 1HD2 LEU 34 -5.743 1.402 -7.417 237 2HD2 LEU 34 2HD2 LEU 34 -4.580 2.597 -7.989 238 3HD2 LEU 34 3HD2 LEU 34 -4.333 0.881 -8.355 239 H VAL 35 H VAL 35 -7.114 0.357 -6.477 240 HA VAL 35 HA VAL 35 -8.014 1.260 -3.844 241 HB VAL 35 HB VAL 35 -7.858 2.709 -5.823 242 1HG1 VAL 35 1HG1 VAL 35 -10.282 1.155 -6.831 243 2HG1 VAL 35 2HG1 VAL 35 -9.669 2.660 -7.516 244 3HG1 VAL 35 3HG1 VAL 35 -8.670 1.207 -7.586 245 1HG2 VAL 35 1HG2 VAL 35 -9.218 3.405 -3.933 246 2HG2 VAL 35 2HG2 VAL 35 -9.809 4.022 -5.483 247 3HG2 VAL 35 3HG2 VAL 35 -10.660 2.689 -4.695 248 H GLU 36 H GLU 36 -8.463 -1.585 -5.375 249 HA GLU 36 HA GLU 36 -11.084 -2.035 -4.057 250 1HB GLU 36 1HB GLU 36 -11.036 -2.685 -6.387 251 2HB GLU 36 2HB GLU 36 -9.494 -3.499 -6.197 252 1HG GLU 36 1HG GLU 36 -11.389 -4.983 -6.451 253 2HG GLU 36 2HG GLU 36 -10.372 -5.283 -5.036 254 H LEU 37 H LEU 37 -7.521 -2.903 -4.092 255 HA LEU 37 HA LEU 37 -8.099 -5.004 -2.124 256 1HB LEU 37 1HB LEU 37 -5.722 -5.482 -2.164 257 2HB LEU 37 2HB LEU 37 -6.574 -5.704 -3.675 258 HG LEU 37 HG LEU 37 -5.597 -3.507 -4.473 259 1HD1 LEU 37 1HD1 LEU 37 -3.493 -3.879 -2.362 260 2HD1 LEU 37 2HD1 LEU 37 -3.679 -2.557 -3.478 261 3HD1 LEU 37 3HD1 LEU 37 -4.808 -2.690 -2.150 262 1HD2 LEU 37 1HD2 LEU 37 -3.275 -4.671 -4.742 263 2HD2 LEU 37 2HD2 LEU 37 -3.984 -6.004 -3.841 264 3HD2 LEU 37 3HD2 LEU 37 -4.700 -5.482 -5.390 265 H LEU 38 H LEU 38 -7.258 -1.518 -2.085 266 HA LEU 38 HA LEU 38 -6.290 -1.846 0.501 267 1HB LEU 38 1HB LEU 38 -5.729 0.322 0.488 268 2HB LEU 38 2HB LEU 38 -5.964 0.166 -1.225 269 HG LEU 38 HG LEU 38 -8.060 1.202 0.738 270 1HD1 LEU 38 1HD1 LEU 38 -7.446 3.438 -0.555 271 2HD1 LEU 38 2HD1 LEU 38 -6.659 2.920 0.923 272 3HD1 LEU 38 3HD1 LEU 38 -5.861 2.635 -0.617 273 1HD2 LEU 38 1HD2 LEU 38 -8.431 0.328 -1.901 274 2HD2 LEU 38 2HD2 LEU 38 -9.547 1.205 -0.852 275 3HD2 LEU 38 3HD2 LEU 38 -8.508 2.093 -1.948 276 H VAL 39 H VAL 39 -9.382 -1.582 -0.942 277 HA VAL 39 HA VAL 39 -10.876 -0.436 1.267 278 HB VAL 39 HB VAL 39 -11.001 -0.726 -1.478 279 1HG1 VAL 39 1HG1 VAL 39 -13.499 -2.133 -0.434 280 2HG1 VAL 39 2HG1 VAL 39 -13.192 -1.603 -2.105 281 3HG1 VAL 39 3HG1 VAL 39 -12.244 -2.900 -1.418 282 1HG2 VAL 39 1HG2 VAL 39 -11.830 1.193 -0.247 283 2HG2 VAL 39 2HG2 VAL 39 -12.995 0.664 -1.450 284 3HG2 VAL 39 3HG2 VAL 39 -13.269 0.273 0.262 285 H SER 40 H SER 40 -10.386 -3.470 -0.298 286 HA SER 40 HA SER 40 -11.737 -5.242 1.478 287 1HB SER 40 1HB SER 40 -10.107 -5.382 -0.916 288 2HB SER 40 2HB SER 40 -9.424 -6.471 0.275 289 HG SER 40 HG SER 40 -11.236 -7.168 -1.220 290 H ALA 41 H ALA 41 -8.268 -4.098 1.219 291 HA ALA 41 HA ALA 41 -7.615 -5.682 3.524 292 1HB ALA 41 1HB ALA 41 -6.032 -3.537 2.060 293 2HB ALA 41 2HB ALA 41 -5.367 -4.626 3.295 294 3HB ALA 41 3HB ALA 41 -5.985 -5.261 1.754 295 H GLY 42 H GLY 42 -8.781 -2.365 3.233 296 1HA GLY 42 1HA GLY 42 -10.077 -1.557 5.031 297 2HA GLY 42 2HA GLY 42 -9.193 -2.605 6.157 298 H ILE 43 H ILE 43 -7.779 -0.614 3.699 299 HA ILE 43 HA ILE 43 -6.227 1.048 5.550 300 HB ILE 43 HB ILE 43 -6.692 0.884 2.554 301 1HG1 ILE 43 1HG1 ILE 43 -4.383 0.282 2.255 302 2HG1 ILE 43 2HG1 ILE 43 -4.039 0.464 3.949 303 1HG2 ILE 43 1HG2 ILE 43 -4.785 2.783 4.085 304 2HG2 ILE 43 2HG2 ILE 43 -4.814 2.620 2.322 305 3HG2 ILE 43 3HG2 ILE 43 -6.204 3.303 3.169 306 1HD1 ILE 43 1HD1 ILE 43 -5.973 -1.566 2.826 307 2HD1 ILE 43 2HD1 ILE 43 -4.254 -1.906 3.112 308 3HD1 ILE 43 3HD1 ILE 43 -5.322 -1.538 4.476 309 H SER 44 H SER 44 -8.905 1.388 3.032 310 HA SER 44 HA SER 44 -10.249 3.372 4.725 311 1HB SER 44 1HB SER 44 -8.770 4.093 2.205 312 2HB SER 44 2HB SER 44 -10.324 4.865 2.572 313 HG SER 44 HG SER 44 -7.987 5.499 3.586 314 HA PRO 45 HA PRO 45 -12.881 0.436 2.518 315 1HB PRO 45 1HB PRO 45 -14.968 0.345 4.231 316 2HB PRO 45 2HB PRO 45 -13.351 -0.350 4.626 317 1HG PRO 45 1HG PRO 45 -14.464 2.345 5.460 318 2HG PRO 45 2HG PRO 45 -13.732 1.080 6.504 319 1HD PRO 45 1HD PRO 45 -12.277 3.166 5.509 320 2HD PRO 45 2HD PRO 45 -11.569 1.529 5.692 321 H SER 46 H SER 46 -13.393 3.747 2.965 322 HA SER 46 HA SER 46 -16.152 3.823 1.874 323 1HB SER 46 1HB SER 46 -15.779 5.154 3.845 324 2HB SER 46 2HB SER 46 -14.393 5.925 3.061 325 HG SER 46 HG SER 46 -16.692 6.919 3.037 326 H LYS 47 H LYS 47 -16.161 3.783 -0.401 327 HA LYS 47 HA LYS 47 -13.896 3.824 -1.909 328 1HB LYS 47 1HB LYS 47 -16.785 4.006 -2.480 329 2HB LYS 47 2HB LYS 47 -15.766 4.697 -3.747 330 1HG LYS 47 1HG LYS 47 -14.455 2.660 -3.933 331 2HG LYS 47 2HG LYS 47 -15.341 1.898 -2.601 332 1HD LYS 47 1HD LYS 47 -17.455 2.085 -3.900 333 2HD LYS 47 2HD LYS 47 -16.558 2.914 -5.185 334 1HE LYS 47 1HE LYS 47 -16.795 0.760 -5.994 335 2HE LYS 47 2HE LYS 47 -15.124 0.842 -5.422 336 1HZ LYS 47 1HZ LYS 47 -15.911 -0.343 -3.397 337 2HZ LYS 47 2HZ LYS 47 -17.400 -0.492 -4.091 338 3HZ LYS 47 3HZ LYS 47 -16.109 -1.183 -4.793 339 H ARG 48 H ARG 48 -15.762 6.825 -1.222 340 HA ARG 48 HA ARG 48 -14.200 8.486 -2.920 341 1HB ARG 48 1HB ARG 48 -16.319 9.045 -1.470 342 2HB ARG 48 2HB ARG 48 -15.198 9.377 -0.165 343 1HG ARG 48 1HG ARG 48 -15.518 10.800 -2.819 344 2HG ARG 48 2HG ARG 48 -15.843 11.435 -1.218 345 1HD ARG 48 1HD ARG 48 -13.122 10.932 -2.478 346 2HD ARG 48 2HD ARG 48 -13.902 12.478 -2.177 347 HE ARG 48 HE ARG 48 -13.493 10.994 0.283 348 1HH1 ARG 48 2HH2 ARG 48 -11.888 13.147 -2.081 349 2HH1 ARG 48 1HH2 ARG 48 -10.597 13.538 -0.971 350 1HH2 ARG 48 2HH1 ARG 48 -11.574 11.517 1.693 351 2HH2 ARG 48 1HH1 ARG 48 -10.394 12.556 1.021 352 H GLN 49 H GLN 49 -13.694 7.551 0.504 353 HA GLN 49 HA GLN 49 -11.330 9.104 0.812 354 1HB GLN 49 1HB GLN 49 -12.731 7.873 2.686 355 2HB GLN 49 2HB GLN 49 -11.798 6.456 2.283 356 1HG GLN 49 1HG GLN 49 -10.827 7.832 4.202 357 2HG GLN 49 2HG GLN 49 -9.715 7.474 2.881 358 1HE2 GLN 49 1HE2 GLN 49 -8.351 9.196 2.521 359 2HE2 GLN 49 2HE2 GLN 49 -8.898 10.845 2.289 360 H ALA 50 H ALA 50 -11.882 5.695 0.203 361 HA ALA 50 HA ALA 50 -9.407 4.720 -0.175 362 1HB ALA 50 1HB ALA 50 -11.529 3.431 -0.398 363 2HB ALA 50 2HB ALA 50 -11.785 4.142 -2.001 364 3HB ALA 50 3HB ALA 50 -10.432 3.079 -1.753 365 H ARG 51 H ARG 51 -11.354 6.255 -2.814 366 HA ARG 51 HA ARG 51 -9.315 6.134 -4.775 367 1HB ARG 51 1HB ARG 51 -11.798 7.854 -4.428 368 2HB ARG 51 2HB ARG 51 -10.682 8.142 -5.766 369 1HG ARG 51 1HG ARG 51 -10.961 5.920 -6.636 370 2HG ARG 51 2HG ARG 51 -11.920 5.414 -5.237 371 1HD ARG 51 1HD ARG 51 -13.807 6.180 -6.118 372 2HD ARG 51 2HD ARG 51 -13.119 7.789 -6.403 373 HE ARG 51 HE ARG 51 -12.104 6.123 -8.405 374 1HH1 ARG 51 2HH2 ARG 51 -15.261 7.339 -7.365 375 2HH1 ARG 51 1HH2 ARG 51 -15.940 7.450 -8.951 376 1HH2 ARG 51 2HH1 ARG 51 -12.939 6.289 -10.527 377 2HH2 ARG 51 1HH1 ARG 51 -14.519 6.940 -10.832 378 H GLU 52 H GLU 52 -9.956 8.641 -2.328 379 HA GLU 52 HA GLU 52 -7.738 10.235 -3.504 380 1HB GLU 52 1HB GLU 52 -9.527 11.404 -2.223 381 2HB GLU 52 2HB GLU 52 -9.195 10.397 -0.815 382 1HG GLU 52 1HG GLU 52 -6.830 11.475 -0.740 383 2HG GLU 52 2HG GLU 52 -7.414 12.584 -1.973 384 H ASP 53 H ASP 53 -8.043 7.871 -0.894 385 HA ASP 53 HA ASP 53 -5.463 8.133 0.124 386 1HB ASP 53 1HB ASP 53 -7.751 6.183 0.237 387 2HB ASP 53 2HB ASP 53 -6.192 5.507 0.485 388 H ILE 54 H ILE 54 -6.639 6.832 -2.818 389 HA ILE 54 HA ILE 54 -3.963 5.846 -3.326 390 HB ILE 54 HB ILE 54 -6.633 4.810 -3.932 391 1HG1 ILE 54 1HG1 ILE 54 -3.934 3.405 -3.833 392 2HG1 ILE 54 2HG1 ILE 54 -4.720 4.010 -2.356 393 1HG2 ILE 54 1HG2 ILE 54 -5.971 3.496 -5.929 394 2HG2 ILE 54 2HG2 ILE 54 -6.135 5.205 -6.236 395 3HG2 ILE 54 3HG2 ILE 54 -4.514 4.437 -6.072 396 1HD1 ILE 54 1HD1 ILE 54 -5.255 1.681 -2.714 397 2HD1 ILE 54 2HD1 ILE 54 -6.691 2.753 -2.797 398 3HD1 ILE 54 3HD1 ILE 54 -5.991 2.121 -4.267 399 H GLN 55 H GLN 55 -6.031 8.372 -4.460 400 HA GLN 55 HA GLN 55 -4.181 8.817 -6.701 401 1HB GLN 55 1HB GLN 55 -6.732 10.131 -5.710 402 2HB GLN 55 2HB GLN 55 -5.699 10.856 -6.947 403 1HG GLN 55 1HG GLN 55 -5.770 8.821 -8.299 404 2HG GLN 55 2HG GLN 55 -6.736 7.994 -7.080 405 1HE2 GLN 55 1HE2 GLN 55 -6.785 10.321 -9.702 406 2HE2 GLN 55 2HE2 GLN 55 -8.536 10.430 -9.800 407 H ASN 56 H ASN 56 -4.181 9.412 -3.336 408 HA ASN 56 HA ASN 56 -2.661 11.807 -3.692 409 1HB ASN 56 1HB ASN 56 -3.410 10.053 -1.292 410 2HB ASN 56 2HB ASN 56 -2.065 11.146 -1.104 411 1HD2 ASN 56 1HD2 ASN 56 -4.858 12.201 -3.021 412 2HD2 ASN 56 2HD2 ASN 56 -5.348 13.400 -1.844 413 H GLY 57 H GLY 57 -0.660 12.251 -3.830 414 1HA GLY 57 1HA GLY 57 1.370 10.362 -4.101 415 2HA GLY 57 2HA GLY 57 1.610 12.066 -3.707 416 H ALA 58 H ALA 58 -0.326 10.532 -1.385 417 HA ALA 58 HA ALA 58 1.889 10.367 0.572 418 1HB ALA 58 1HB ALA 58 0.020 11.911 1.136 419 2HB ALA 58 2HB ALA 58 -1.113 10.536 1.023 420 3HB ALA 58 3HB ALA 58 0.146 10.557 2.275 421 H ILE 59 H ILE 59 0.123 8.256 -1.527 422 HA ILE 59 HA ILE 59 0.367 5.939 0.356 423 HB ILE 59 HB ILE 59 -1.724 6.352 -0.268 424 1HG1 ILE 59 1HG1 ILE 59 -1.211 4.177 0.168 425 2HG1 ILE 59 2HG1 ILE 59 -2.421 4.245 -1.113 426 1HG2 ILE 59 1HG2 ILE 59 -0.628 6.736 -3.035 427 2HG2 ILE 59 2HG2 ILE 59 -1.963 5.618 -3.025 428 3HG2 ILE 59 3HG2 ILE 59 -2.199 7.242 -2.370 429 1HD1 ILE 59 1HD1 ILE 59 -1.005 2.614 -1.898 430 2HD1 ILE 59 2HD1 ILE 59 -0.366 4.013 -2.746 431 3HD1 ILE 59 3HD1 ILE 59 0.459 3.421 -1.279 432 H TYR 60 H TYR 60 2.342 5.667 0.474 433 HA TYR 60 HA TYR 60 4.062 5.348 -1.823 434 1HB TYR 60 1HB TYR 60 4.598 5.129 1.128 435 2HB TYR 60 2HB TYR 60 5.799 5.150 -0.115 436 HD1 TYR 60 1HD TYR 60 6.719 7.200 -0.969 437 HD2 TYR 60 2HD TYR 60 3.278 7.283 1.631 438 HE1 TYR 60 1HE TYR 60 6.966 9.628 -0.707 439 HE2 TYR 60 2HE TYR 60 3.572 9.699 1.949 440 HH TYR 60 HH TYR 60 6.014 11.613 0.170 441 H VAL 61 H VAL 61 3.747 3.459 -2.875 442 HA VAL 61 HA VAL 61 2.905 1.068 -1.378 443 HB VAL 61 HB VAL 61 3.327 1.193 -4.387 444 1HG1 VAL 61 1HG1 VAL 61 1.605 -0.604 -2.631 445 2HG1 VAL 61 2HG1 VAL 61 1.968 -0.843 -4.334 446 3HG1 VAL 61 3HG1 VAL 61 3.229 -1.084 -3.114 447 1HG2 VAL 61 1HG2 VAL 61 0.945 1.724 -2.612 448 2HG2 VAL 61 2HG2 VAL 61 1.555 2.792 -3.898 449 3HG2 VAL 61 3HG2 VAL 61 0.721 1.262 -4.267 450 H ASN 62 H ASN 62 4.254 -0.457 -0.821 451 HA ASN 62 HA ASN 62 6.226 -1.331 -0.163 452 1HB ASN 62 1HB ASN 62 6.752 -1.044 -3.098 453 2HB ASN 62 2HB ASN 62 7.942 -1.737 -2.020 454 1HD2 ASN 62 1HD2 ASN 62 6.615 -3.137 -4.193 455 2HD2 ASN 62 2HD2 ASN 62 5.682 -4.404 -3.419 456 H GLY 63 H GLY 63 5.832 1.544 -0.043 457 1HA GLY 63 1HA GLY 63 7.087 3.082 1.253 458 2HA GLY 63 2HA GLY 63 8.584 2.303 0.754 459 H GLU 64 H GLU 64 6.546 2.917 -2.058 460 HA GLU 64 HA GLU 64 8.070 5.414 -2.609 461 1HB GLU 64 1HB GLU 64 8.964 3.300 -3.600 462 2HB GLU 64 2HB GLU 64 7.400 3.130 -4.430 463 1HG GLU 64 1HG GLU 64 7.792 5.209 -5.651 464 2HG GLU 64 2HG GLU 64 9.349 5.416 -4.830 465 H ARG 65 H ARG 65 6.747 7.067 -3.333 466 HA ARG 65 HA ARG 65 3.919 6.949 -3.131 467 1HB ARG 65 1HB ARG 65 4.903 9.013 -2.748 468 2HB ARG 65 2HB ARG 65 5.919 8.968 -4.173 469 1HG ARG 65 1HG ARG 65 2.906 9.066 -4.446 470 2HG ARG 65 2HG ARG 65 3.819 10.529 -4.064 471 1HD ARG 65 1HD ARG 65 5.270 9.619 -6.196 472 2HD ARG 65 2HD ARG 65 3.652 9.032 -6.617 473 HE ARG 65 HE ARG 65 3.577 11.801 -5.858 474 1HH1 ARG 65 2HH2 ARG 65 4.430 9.567 -8.522 475 2HH1 ARG 65 1HH2 ARG 65 4.440 10.751 -9.741 476 1HH2 ARG 65 2HH1 ARG 65 3.320 13.413 -7.612 477 2HH2 ARG 65 1HH1 ARG 65 3.633 12.873 -9.229 478 H LEU 66 H LEU 66 2.658 5.641 -4.436 479 HA LEU 66 HA LEU 66 3.060 5.853 -7.380 480 1HB LEU 66 1HB LEU 66 3.102 3.434 -5.670 481 2HB LEU 66 2HB LEU 66 2.785 3.433 -7.425 482 HG LEU 66 HG LEU 66 5.367 4.473 -6.203 483 1HD1 LEU 66 1HD1 LEU 66 4.623 1.808 -7.386 484 2HD1 LEU 66 2HD1 LEU 66 6.277 2.352 -6.971 485 3HD1 LEU 66 3HD1 LEU 66 5.052 2.174 -5.685 486 1HD2 LEU 66 1HD2 LEU 66 6.259 4.182 -8.463 487 2HD2 LEU 66 2HD2 LEU 66 4.657 3.703 -9.059 488 3HD2 LEU 66 3HD2 LEU 66 4.950 5.365 -8.465 489 H GLN 67 H GLN 67 1.039 7.227 -7.195 490 HA GLN 67 HA GLN 67 -1.322 6.077 -5.864 491 1HB GLN 67 1HB GLN 67 -2.034 8.358 -5.635 492 2HB GLN 67 2HB GLN 67 -0.378 8.372 -5.232 493 1HG GLN 67 1HG GLN 67 -1.838 9.627 -7.485 494 2HG GLN 67 2HG GLN 67 -0.717 10.297 -6.335 495 1HE2 GLN 67 1HE2 GLN 67 1.125 11.046 -7.374 496 2HE2 GLN 67 2HE2 GLN 67 1.872 10.213 -8.754 497 H ASP 68 H ASP 68 -0.876 4.680 -8.206 498 HA ASP 68 HA ASP 68 -3.127 5.608 -9.884 499 1HB ASP 68 1HB ASP 68 -0.901 6.574 -10.646 500 2HB ASP 68 2HB ASP 68 -0.446 4.930 -11.093 501 H VAL 69 H VAL 69 -4.087 4.070 -11.195 502 HA VAL 69 HA VAL 69 -4.052 1.323 -10.368 503 HB VAL 69 HB VAL 69 -5.973 2.679 -11.214 504 1HG1 VAL 69 1HG1 VAL 69 -4.844 2.275 -14.003 505 2HG1 VAL 69 2HG1 VAL 69 -6.395 2.987 -13.584 506 3HG1 VAL 69 3HG1 VAL 69 -4.903 3.825 -13.138 507 1HG2 VAL 69 1HG2 VAL 69 -6.049 0.200 -11.112 508 2HG2 VAL 69 2HG2 VAL 69 -7.090 0.878 -12.373 509 3HG2 VAL 69 3HG2 VAL 69 -5.536 0.144 -12.816 510 H GLY 70 H GLY 70 -2.654 3.014 -13.162 511 1HA GLY 70 1HA GLY 70 -1.500 0.552 -14.219 512 2HA GLY 70 2HA GLY 70 -1.204 2.218 -14.777 513 H ALA 71 H ALA 71 -0.813 2.467 -11.593 514 HA ALA 71 HA ALA 71 2.098 1.945 -11.705 515 1HB ALA 71 1HB ALA 71 0.597 3.395 -9.516 516 2HB ALA 71 2HB ALA 71 2.328 3.010 -9.562 517 3HB ALA 71 3HB ALA 71 1.646 4.099 -10.767 518 H ILE 72 H ILE 72 -0.748 1.007 -9.396 519 HA ILE 72 HA ILE 72 0.507 -1.627 -9.485 520 HB ILE 72 HB ILE 72 -0.629 -0.534 -6.972 521 1HG1 ILE 72 1HG1 ILE 72 1.964 -0.406 -6.504 522 2HG1 ILE 72 2HG1 ILE 72 2.122 -0.015 -8.157 523 1HG2 ILE 72 1HG2 ILE 72 1.426 -2.691 -7.704 524 2HG2 ILE 72 2HG2 ILE 72 0.910 -2.299 -6.047 525 3HG2 ILE 72 3HG2 ILE 72 -0.230 -2.991 -7.186 526 1HD1 ILE 72 1HD1 ILE 72 1.906 1.804 -6.291 527 2HD1 ILE 72 2HD1 ILE 72 0.963 2.097 -7.758 528 3HD1 ILE 72 3HD1 ILE 72 0.195 1.487 -6.300 529 H LEU 73 H LEU 73 -0.769 -3.327 -9.595 530 HA LEU 73 HA LEU 73 -3.649 -3.151 -8.980 531 1HB LEU 73 1HB LEU 73 -2.262 -4.956 -10.954 532 2HB LEU 73 2HB LEU 73 -3.937 -5.071 -10.438 533 HG LEU 73 HG LEU 73 -2.756 -2.592 -11.776 534 1HD1 LEU 73 1HD1 LEU 73 -2.892 -4.621 -13.271 535 2HD1 LEU 73 2HD1 LEU 73 -4.639 -4.625 -12.959 536 3HD1 LEU 73 3HD1 LEU 73 -3.890 -3.245 -13.782 537 1HD2 LEU 73 1HD2 LEU 73 -5.603 -3.301 -11.026 538 2HD2 LEU 73 2HD2 LEU 73 -4.622 -1.895 -10.488 539 3HD2 LEU 73 3HD2 LEU 73 -5.160 -2.013 -12.160 540 H THR 74 H THR 74 -1.417 -6.022 -9.229 541 HA THR 74 HA THR 74 -1.877 -6.419 -6.373 542 HB THR 74 HB THR 74 -0.970 -8.783 -7.273 543 HG1 THR 74 1HG THR 74 -1.215 -9.054 -9.412 544 1HG2 THR 74 1HG2 THR 74 -3.700 -7.584 -7.840 545 2HG2 THR 74 2HG2 THR 74 -3.286 -9.321 -7.720 546 3HG2 THR 74 3HG2 THR 74 -3.158 -8.278 -6.310 547 H ALA 75 H ALA 75 -0.039 -8.127 -5.606 548 HA ALA 75 HA ALA 75 2.132 -6.466 -4.950 549 1HB ALA 75 1HB ALA 75 1.496 -8.242 -3.422 550 2HB ALA 75 2HB ALA 75 1.604 -9.463 -4.695 551 3HB ALA 75 3HB ALA 75 3.075 -8.750 -4.090 552 H GLU 76 H GLU 76 2.092 -9.169 -7.336 553 HA GLU 76 HA GLU 76 4.826 -8.701 -8.048 554 1HB GLU 76 1HB GLU 76 3.588 -10.823 -8.433 555 2HB GLU 76 2HB GLU 76 2.501 -9.998 -9.528 556 1HG GLU 76 1HG GLU 76 5.324 -9.740 -10.381 557 2HG GLU 76 2HG GLU 76 4.860 -11.414 -10.138 558 H HIS 77 H HIS 77 1.981 -6.902 -8.672 559 HA HIS 77 HA HIS 77 2.948 -5.741 -11.203 560 1HB HIS 77 1HB HIS 77 0.561 -6.134 -10.595 561 2HB HIS 77 2HB HIS 77 0.724 -4.826 -9.416 562 HD1 HIS 77 1HD HIS 77 1.894 -2.483 -10.699 563 HD2 HIS 77 2HD HIS 77 -0.654 -5.227 -12.568 564 HE1 HIS 77 1HE HIS 77 0.257 -1.115 -11.936 565 H ARG 78 H ARG 78 3.735 -5.493 -7.787 566 HA ARG 78 HA ARG 78 4.853 -2.792 -8.254 567 1HB ARG 78 1HB ARG 78 3.087 -3.221 -6.323 568 2HB ARG 78 2HB ARG 78 4.412 -3.963 -5.492 569 1HG ARG 78 1HG ARG 78 3.980 -1.076 -6.231 570 2HG ARG 78 2HG ARG 78 4.493 -1.787 -4.702 571 1HD ARG 78 1HD ARG 78 6.701 -2.351 -5.863 572 2HD ARG 78 2HD ARG 78 6.126 -1.387 -7.226 573 HE ARG 78 HE ARG 78 6.055 0.191 -4.840 574 1HH1 ARG 78 2HH2 ARG 78 8.114 -0.966 -7.485 575 2HH1 ARG 78 1HH2 ARG 78 9.573 -0.289 -6.865 576 1HH2 ARG 78 2HH1 ARG 78 7.947 1.341 -4.158 577 2HH2 ARG 78 1HH1 ARG 78 9.322 1.417 -5.211 578 H LEU 79 H LEU 79 5.674 -5.754 -6.091 579 HA LEU 79 HA LEU 79 8.461 -5.246 -6.710 580 1HB LEU 79 1HB LEU 79 8.643 -6.718 -4.693 581 2HB LEU 79 2HB LEU 79 7.997 -5.099 -4.469 582 HG LEU 79 HG LEU 79 5.687 -6.065 -4.229 583 1HD1 LEU 79 1HD1 LEU 79 5.396 -8.350 -3.959 584 2HD1 LEU 79 2HD1 LEU 79 6.021 -8.059 -5.535 585 3HD1 LEU 79 3HD1 LEU 79 7.136 -8.714 -4.280 586 1HD2 LEU 79 1HD2 LEU 79 7.048 -5.702 -2.137 587 2HD2 LEU 79 2HD2 LEU 79 6.203 -7.224 -1.971 588 3HD2 LEU 79 3HD2 LEU 79 7.899 -7.236 -2.400 589 H GLU 80 H GLU 80 9.449 -7.725 -6.375 590 HA GLU 80 HA GLU 80 9.167 -8.911 -8.807 591 1HB GLU 80 1HB GLU 80 10.572 -10.603 -7.973 592 2HB GLU 80 2HB GLU 80 10.980 -9.175 -7.026 593 1HG GLU 80 1HG GLU 80 9.464 -10.025 -5.185 594 2HG GLU 80 2HG GLU 80 9.188 -11.490 -6.127 595 H GLY 81 H GLY 81 7.104 -9.480 -6.091 596 1HA GLY 81 1HA GLY 81 4.850 -10.285 -6.671 597 2HA GLY 81 2HA GLY 81 5.673 -11.651 -7.427 598 H ARG 82 H ARG 82 5.416 -9.897 -4.370 599 HA ARG 82 HA ARG 82 5.206 -12.484 -2.898 600 1HB ARG 82 1HB ARG 82 7.381 -10.433 -2.284 601 2HB ARG 82 2HB ARG 82 6.858 -11.700 -1.165 602 1HG ARG 82 1HG ARG 82 7.333 -13.398 -2.980 603 2HG ARG 82 2HG ARG 82 8.135 -12.100 -3.892 604 1HD ARG 82 1HD ARG 82 9.676 -11.741 -1.989 605 2HD ARG 82 2HD ARG 82 8.885 -13.043 -1.088 606 HE ARG 82 HE ARG 82 10.807 -13.216 -3.231 607 1HH1 ARG 82 2HH2 ARG 82 8.029 -15.082 -1.909 608 2HH1 ARG 82 1HH2 ARG 82 8.814 -16.601 -2.057 609 1HH2 ARG 82 2HH1 ARG 82 11.728 -15.279 -3.562 610 2HH2 ARG 82 1HH1 ARG 82 10.984 -16.746 -2.995 611 H PHE 83 H PHE 83 5.046 -8.879 -2.443 612 HA PHE 83 HA PHE 83 2.668 -9.140 -0.787 613 1HB PHE 83 1HB PHE 83 5.378 -8.161 0.237 614 2HB PHE 83 2HB PHE 83 3.893 -7.627 0.952 615 HD1 PHE 83 1HD PHE 83 6.412 -10.069 1.271 616 HD2 PHE 83 2HD PHE 83 2.181 -9.368 1.785 617 HE1 PHE 83 1HE PHE 83 6.306 -11.846 3.015 618 HE2 PHE 83 2HE PHE 83 2.102 -11.124 3.533 619 HZ PHE 83 HZ PHE 83 4.153 -12.373 4.112 620 H THR 84 H THR 84 2.195 -6.678 -0.028 621 HA THR 84 HA THR 84 3.720 -4.694 -1.518 622 HB THR 84 HB THR 84 1.025 -5.516 -2.279 623 HG1 THR 84 1HG THR 84 2.952 -5.446 -3.466 624 1HG2 THR 84 1HG2 THR 84 0.349 -3.187 -3.006 625 2HG2 THR 84 2HG2 THR 84 0.151 -3.526 -1.280 626 3HG2 THR 84 3HG2 THR 84 1.538 -2.577 -1.829 627 H VAL 85 H VAL 85 4.200 -3.189 -0.061 628 HA VAL 85 HA VAL 85 2.692 -2.838 2.463 629 HB VAL 85 HB VAL 85 4.873 -1.011 1.390 630 1HG1 VAL 85 1HG1 VAL 85 5.318 -0.571 3.780 631 2HG1 VAL 85 2HG1 VAL 85 3.691 -0.107 3.308 632 3HG1 VAL 85 3HG1 VAL 85 3.944 -1.612 4.214 633 1HG2 VAL 85 1HG2 VAL 85 5.878 -3.255 1.360 634 2HG2 VAL 85 2HG2 VAL 85 6.540 -2.272 2.656 635 3HG2 VAL 85 3HG2 VAL 85 5.320 -3.523 3.022 636 H ILE 86 H ILE 86 1.370 -1.015 2.799 637 HA ILE 86 HA ILE 86 1.049 0.984 0.606 638 HB ILE 86 HB ILE 86 -0.947 -0.361 2.427 639 1HG1 ILE 86 1HG1 ILE 86 -0.403 -1.655 0.306 640 2HG1 ILE 86 2HG1 ILE 86 -2.078 -1.115 0.322 641 1HG2 ILE 86 1HG2 ILE 86 -1.208 2.080 0.646 642 2HG2 ILE 86 2HG2 ILE 86 -2.651 1.118 1.008 643 3HG2 ILE 86 3HG2 ILE 86 -1.758 1.899 2.315 644 1HD1 ILE 86 1HD1 ILE 86 -1.626 0.685 -1.231 645 2HD1 ILE 86 2HD1 ILE 86 0.118 0.437 -1.119 646 3HD1 ILE 86 3HD1 ILE 86 -0.890 -0.770 -1.909 647 H ARG 87 H ARG 87 2.303 2.504 1.520 648 HA ARG 87 HA ARG 87 1.796 3.161 4.380 649 1HB ARG 87 1HB ARG 87 4.069 2.988 4.210 650 2HB ARG 87 2HB ARG 87 4.144 3.502 2.553 651 1HG ARG 87 1HG ARG 87 4.053 5.840 3.150 652 2HG ARG 87 2HG ARG 87 3.656 5.472 4.813 653 1HD ARG 87 1HD ARG 87 5.829 4.391 5.127 654 2HD ARG 87 2HD ARG 87 6.220 4.563 3.417 655 HE ARG 87 HE ARG 87 6.316 6.594 5.536 656 1HH1 ARG 87 2HH2 ARG 87 6.854 5.992 2.063 657 2HH1 ARG 87 1HH2 ARG 87 7.884 7.365 1.875 658 1HH2 ARG 87 2HH1 ARG 87 7.585 8.335 5.281 659 2HH2 ARG 87 1HH1 ARG 87 8.279 8.775 3.733 660 H ARG 88 H ARG 88 -0.355 3.957 4.020 661 HA ARG 88 HA ARG 88 -0.624 6.388 2.388 662 1HB ARG 88 1HB ARG 88 -2.593 4.991 2.444 663 2HB ARG 88 2HB ARG 88 -2.486 4.793 4.188 664 1HG ARG 88 1HG ARG 88 -4.289 6.290 3.750 665 2HG ARG 88 2HG ARG 88 -3.016 7.231 4.488 666 1HD ARG 88 1HD ARG 88 -2.573 7.424 1.688 667 2HD ARG 88 2HD ARG 88 -4.303 7.524 1.884 668 HE ARG 88 HE ARG 88 -2.442 9.241 3.472 669 1HH1 ARG 88 2HH2 ARG 88 -5.627 9.201 1.885 670 2HH1 ARG 88 1HH2 ARG 88 -5.552 10.822 1.340 671 1HH2 ARG 88 2HH1 ARG 88 -2.420 11.476 2.871 672 2HH2 ARG 88 1HH1 ARG 88 -3.661 12.093 1.809 673 H GLY 89 H GLY 89 0.812 7.820 3.314 674 1HA GLY 89 1HA GLY 89 1.379 8.243 6.069 675 2HA GLY 89 2HA GLY 89 1.448 9.478 4.791 676 H LYS 90 H LYS 90 0.408 9.490 7.595 677 HA LYS 90 HA LYS 90 -1.141 10.301 8.888 678 1HB LYS 90 1HB LYS 90 -1.357 12.166 7.343 679 2HB LYS 90 2HB LYS 90 -2.563 11.301 6.399 680 1HG LYS 90 1HG LYS 90 -3.552 13.045 7.775 681 2HG LYS 90 2HG LYS 90 -4.200 11.463 8.143 682 1HD LYS 90 1HD LYS 90 -2.505 11.429 10.134 683 2HD LYS 90 2HD LYS 90 -2.289 13.151 9.818 684 1HE LYS 90 1HE LYS 90 -4.889 11.675 10.458 685 2HE LYS 90 2HE LYS 90 -3.966 12.664 11.595 686 1HZ LYS 90 1HZ LYS 90 -5.831 13.874 10.690 687 2HZ LYS 90 2HZ LYS 90 -4.432 14.588 10.200 688 3HZ LYS 90 3HZ LYS 90 -5.300 13.655 9.151 689 H LYS 91 H LYS 91 -1.639 7.579 7.067 690 HA LYS 91 HA LYS 91 -3.783 6.843 8.984 691 1HB LYS 91 1HB LYS 91 -4.534 6.855 6.484 692 2HB LYS 91 2HB LYS 91 -3.412 5.532 6.254 693 1HG LYS 91 1HG LYS 91 -5.451 4.462 6.582 694 2HG LYS 91 2HG LYS 91 -4.695 4.327 8.176 695 1HD LYS 91 1HD LYS 91 -6.061 6.146 9.051 696 2HD LYS 91 2HD LYS 91 -6.604 6.591 7.430 697 1HE LYS 91 1HE LYS 91 -8.391 5.468 8.604 698 2HE LYS 91 2HE LYS 91 -7.880 4.520 7.207 699 1HZ LYS 91 1HZ LYS 91 -6.814 2.988 8.629 700 2HZ LYS 91 2HZ LYS 91 -6.917 3.960 9.952 701 3HZ LYS 91 3HZ LYS 91 -8.271 3.290 9.331 702 H LYS 92 H LYS 92 -2.099 4.306 7.090 703 HA LYS 92 HA LYS 92 0.044 4.229 8.857 704 1HB LYS 92 1HB LYS 92 -2.085 3.172 10.036 705 2HB LYS 92 2HB LYS 92 -1.886 1.866 8.890 706 1HG LYS 92 1HG LYS 92 -0.929 1.461 11.177 707 2HG LYS 92 2HG LYS 92 0.220 1.203 9.890 708 1HD LYS 92 1HD LYS 92 1.360 2.334 11.653 709 2HD LYS 92 2HD LYS 92 1.197 3.485 10.360 710 1HE LYS 92 1HE LYS 92 0.521 4.813 12.115 711 2HE LYS 92 2HE LYS 92 -1.053 4.166 11.654 712 1HZ LYS 92 1HZ LYS 92 -0.685 2.407 13.386 713 2HZ LYS 92 2HZ LYS 92 0.728 3.109 13.793 714 3HZ LYS 92 3HZ LYS 92 -0.664 3.912 14.054 715 H TYR 93 H TYR 93 0.699 1.698 8.395 716 HA TYR 93 HA TYR 93 1.305 1.657 5.520 717 1HB TYR 93 1HB TYR 93 3.140 0.600 7.535 718 2HB TYR 93 2HB TYR 93 3.411 0.945 5.826 719 HD1 TYR 93 1HD TYR 93 5.257 1.714 8.135 720 HD2 TYR 93 2HD TYR 93 2.036 3.952 6.310 721 HE1 TYR 93 1HE TYR 93 6.294 3.801 8.843 722 HE2 TYR 93 2HE TYR 93 2.995 6.017 7.132 723 HH TYR 93 HH TYR 93 5.916 6.140 9.194 724 H TYR 94 H TYR 94 -0.410 0.240 5.048 725 HA TYR 94 HA TYR 94 -0.830 -2.189 6.661 726 1HB TYR 94 1HB TYR 94 -2.138 -0.964 4.220 727 2HB TYR 94 2HB TYR 94 -2.646 -2.427 4.992 728 HD1 TYR 94 1HD TYR 94 -4.111 -2.422 6.882 729 HD2 TYR 94 2HD TYR 94 -2.229 1.246 5.584 730 HE1 TYR 94 1HE TYR 94 -5.634 -1.137 8.317 731 HE2 TYR 94 2HE TYR 94 -3.736 2.536 7.050 732 HH TYR 94 HH TYR 94 -6.188 0.933 9.124 733 H LEU 95 H LEU 95 -1.173 -4.200 5.428 734 HA LEU 95 HA LEU 95 0.991 -4.616 3.442 735 1HB LEU 95 1HB LEU 95 1.794 -5.279 5.621 736 2HB LEU 95 2HB LEU 95 0.320 -6.177 5.944 737 HG LEU 95 HG LEU 95 0.885 -7.847 4.238 738 1HD1 LEU 95 1HD1 LEU 95 2.008 -6.685 2.487 739 2HD1 LEU 95 2HD1 LEU 95 3.129 -5.906 3.615 740 3HD1 LEU 95 3HD1 LEU 95 3.269 -7.636 3.242 741 1HD2 LEU 95 1HD2 LEU 95 1.857 -8.119 6.512 742 2HD2 LEU 95 2HD2 LEU 95 2.888 -8.807 5.253 743 3HD2 LEU 95 3HD2 LEU 95 3.301 -7.238 5.993 744 H ILE 96 H ILE 96 0.421 -5.870 1.784 745 HA ILE 96 HA ILE 96 -2.210 -7.266 1.825 746 HB ILE 96 HB ILE 96 -1.137 -5.398 -0.339 747 1HG1 ILE 96 1HG1 ILE 96 -3.237 -5.070 1.839 748 2HG1 ILE 96 2HG1 ILE 96 -1.796 -4.081 1.555 749 1HG2 ILE 96 1HG2 ILE 96 -3.345 -5.801 -1.399 750 2HG2 ILE 96 2HG2 ILE 96 -2.444 -7.289 -1.247 751 3HG2 ILE 96 3HG2 ILE 96 -3.753 -6.936 -0.103 752 1HD1 ILE 96 1HD1 ILE 96 -2.784 -3.158 -0.457 753 2HD1 ILE 96 2HD1 ILE 96 -4.288 -4.090 -0.143 754 3HD1 ILE 96 3HD1 ILE 96 -3.756 -2.842 0.987 755 H ARG 97 H ARG 97 -2.132 -9.240 1.054 756 HA ARG 97 HA ARG 97 -0.046 -9.938 -0.960 757 1HB ARG 97 1HB ARG 97 0.203 -10.825 1.565 758 2HB ARG 97 2HB ARG 97 -0.861 -12.080 1.013 759 1HG ARG 97 1HG ARG 97 0.932 -12.386 -0.904 760 2HG ARG 97 2HG ARG 97 1.863 -11.242 0.064 761 1HD ARG 97 1HD ARG 97 1.338 -12.905 2.047 762 2HD ARG 97 2HD ARG 97 0.957 -14.041 0.744 763 HE ARG 97 HE ARG 97 3.442 -12.803 0.197 764 1HH1 ARG 97 2HH2 ARG 97 2.025 -15.186 2.414 765 2HH1 ARG 97 1HH2 ARG 97 3.505 -15.988 2.780 766 1HH2 ARG 97 2HH1 ARG 97 5.449 -13.787 0.755 767 2HH2 ARG 97 1HH1 ARG 97 5.532 -15.045 1.938 768 H TYR 98 H TYR 98 -0.576 -12.367 -1.612 769 HA TYR 98 HA TYR 98 -3.379 -12.726 -1.992 770 1HB TYR 98 1HB TYR 98 -2.455 -13.978 -4.135 771 2HB TYR 98 2HB TYR 98 -2.973 -12.303 -4.182 772 HD1 TYR 98 1HD TYR 98 -1.695 -11.055 -5.600 773 HD2 TYR 98 2HD TYR 98 0.242 -14.154 -3.294 774 HE1 TYR 98 1HE TYR 98 0.447 -10.570 -6.734 775 HE2 TYR 98 2HE TYR 98 2.412 -13.564 -4.309 776 HH TYR 98 HH TYR 98 2.901 -12.348 -6.884 777 H ALA 99 H ALA 99 -3.925 -14.941 -2.389 778 HA ALA 99 HA ALA 99 -2.233 -16.909 -1.174 779 1HB ALA 99 1HB ALA 99 -4.020 -16.421 0.455 780 2HB ALA 99 2HB ALA 99 -5.247 -16.535 -0.830 781 3HB ALA 99 3HB ALA 99 -4.357 -17.972 -0.310
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