NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16751 | 2apn | 5963 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 -27.341 -9.627 -4.730 2 2H MET 1 2HT MET 1 -27.374 -11.325 -4.482 3 3H MET 1 3HT MET 1 -27.278 -10.688 -6.075 4 HA MET 1 HA MET 1 -25.164 -11.412 -5.560 5 1HB MET 1 2HB MET 1 -25.295 -8.441 -5.001 6 2HB MET 1 1HB MET 1 -23.918 -9.326 -5.652 7 1HG MET 1 2HG MET 1 -26.577 -8.931 -7.002 8 2HG MET 1 1HG MET 1 -25.068 -8.110 -7.400 9 1HE MET 1 1HE MET 1 -22.821 -10.797 -8.779 10 2HE MET 1 2HE MET 1 -23.145 -11.276 -7.115 11 3HE MET 1 3HE MET 1 -22.927 -9.573 -7.517 12 H ILE 2 H ILE 2 -23.172 -10.318 -4.103 13 HA ILE 2 HA ILE 2 -23.851 -11.178 -1.390 14 HB ILE 2 HB ILE 2 -21.035 -10.560 -1.907 15 1HG1 ILE 2 2HG1 ILE 2 -21.541 -11.357 -4.144 16 2HG1 ILE 2 1HG1 ILE 2 -20.629 -12.590 -3.272 17 1HG2 ILE 2 1HG2 ILE 2 -22.378 -11.959 -0.062 18 2HG2 ILE 2 2HG2 ILE 2 -20.687 -12.253 -0.454 19 3HG2 ILE 2 3HG2 ILE 2 -21.948 -13.267 -1.157 20 1HD1 ILE 2 1HD1 ILE 2 -22.218 -13.925 -4.149 21 2HD1 ILE 2 2HD1 ILE 2 -23.398 -12.626 -4.278 22 3HD1 ILE 2 3HD1 ILE 2 -23.114 -13.412 -2.723 23 H ASP 3 H ASP 3 -21.697 -9.921 -0.087 24 HA ASP 3 HA ASP 3 -21.767 -7.095 -0.458 25 1HB ASP 3 2HB ASP 3 -22.880 -6.619 1.769 26 2HB ASP 3 1HB ASP 3 -23.954 -7.178 0.490 27 H ASP 4 H ASP 4 -19.911 -9.346 -0.005 28 HA ASP 4 HA ASP 4 -18.454 -8.205 2.279 29 1HB ASP 4 2HB ASP 4 -19.453 -10.871 1.982 30 2HB ASP 4 1HB ASP 4 -17.692 -10.924 1.955 31 H MET 5 H MET 5 -18.158 -10.288 -0.573 32 HA MET 5 HA MET 5 -15.353 -9.744 -0.887 33 1HB MET 5 2HB MET 5 -15.581 -11.002 -3.008 34 2HB MET 5 1HB MET 5 -16.218 -11.878 -1.621 35 1HG MET 5 2HG MET 5 -17.829 -12.256 -3.211 36 2HG MET 5 1HG MET 5 -18.492 -10.873 -2.346 37 1HE MET 5 1HE MET 5 -19.904 -9.251 -4.788 38 2HE MET 5 2HE MET 5 -18.673 -8.090 -4.297 39 3HE MET 5 3HE MET 5 -19.349 -9.207 -3.115 40 H ALA 6 H ALA 6 -14.448 -8.833 -2.898 41 HA ALA 6 HA ALA 6 -14.152 -7.088 -4.334 42 1HB ALA 6 1HB ALA 6 -15.836 -6.641 -5.875 43 2HB ALA 6 2HB ALA 6 -17.119 -6.926 -4.701 44 3HB ALA 6 3HB ALA 6 -16.199 -8.284 -5.346 45 H VAL 7 H VAL 7 -13.415 -5.550 -2.883 46 HA VAL 7 HA VAL 7 -15.416 -3.577 -2.100 47 HB VAL 7 HB VAL 7 -13.349 -3.617 -0.104 48 1HG1 VAL 7 1HG1 VAL 7 -15.700 -2.694 -0.031 49 2HG1 VAL 7 2HG1 VAL 7 -15.200 -3.631 1.378 50 3HG1 VAL 7 3HG1 VAL 7 -16.249 -4.356 0.158 51 1HG2 VAL 7 1HG2 VAL 7 -13.087 -5.983 -0.640 52 2HG2 VAL 7 2HG2 VAL 7 -14.823 -6.226 -0.488 53 3HG2 VAL 7 3HG2 VAL 7 -13.865 -5.783 0.924 54 HA PRO 8 HA PRO 8 -11.584 -1.050 -2.852 55 1HB PRO 8 2HB PRO 8 -9.320 -1.512 -1.651 56 2HB PRO 8 1HB PRO 8 -10.776 -1.417 -0.651 57 1HG PRO 8 2HG PRO 8 -9.290 -3.840 -1.591 58 2HG PRO 8 1HG PRO 8 -10.014 -3.521 -0.004 59 1HD PRO 8 2HD PRO 8 -11.205 -4.913 -2.184 60 2HD PRO 8 1HD PRO 8 -11.986 -4.419 -0.674 61 H LEU 9 H LEU 9 -8.617 -2.310 -2.884 62 HA LEU 9 HA LEU 9 -8.180 -2.219 -5.620 63 1HB LEU 9 2HB LEU 9 -6.508 -1.927 -3.798 64 2HB LEU 9 1HB LEU 9 -6.568 -3.654 -3.508 65 HG LEU 9 HG LEU 9 -4.774 -3.778 -4.833 66 1HD1 LEU 9 1HD1 LEU 9 -6.273 -4.719 -6.409 67 2HD1 LEU 9 2HD1 LEU 9 -5.143 -3.697 -7.283 68 3HD1 LEU 9 3HD1 LEU 9 -6.775 -3.126 -6.970 69 1HD2 LEU 9 1HD2 LEU 9 -4.320 -1.821 -6.527 70 2HD2 LEU 9 2HD2 LEU 9 -3.986 -1.645 -4.807 71 3HD2 LEU 9 3HD2 LEU 9 -5.462 -0.974 -5.492 72 H THR 10 H THR 10 -8.491 -3.619 -7.220 73 HA THR 10 HA THR 10 -9.101 -6.417 -6.582 74 HB THR 10 HB THR 10 -9.589 -4.765 -9.064 75 HG1 THR 10 1HG THR 10 -11.275 -5.971 -7.139 76 1HG2 THR 10 1HG2 THR 10 -10.965 -7.182 -9.289 77 2HG2 THR 10 2HG2 THR 10 -9.305 -7.608 -8.860 78 3HG2 THR 10 3HG2 THR 10 -9.622 -6.607 -10.280 79 H PHE 11 H PHE 11 -7.539 -7.864 -6.858 80 HA PHE 11 HA PHE 11 -5.091 -7.124 -8.239 81 1HB PHE 11 2HB PHE 11 -4.110 -9.007 -7.170 82 2HB PHE 11 1HB PHE 11 -5.168 -8.270 -5.975 83 HD1 PHE 11 1HD PHE 11 -7.399 -9.303 -5.546 84 HD2 PHE 11 2HD PHE 11 -4.388 -11.148 -7.890 85 HE1 PHE 11 1HE PHE 11 -8.544 -11.474 -5.289 86 HE2 PHE 11 2HE PHE 11 -5.496 -13.316 -7.650 87 HZ PHE 11 HZ PHE 11 -7.590 -13.479 -6.354 88 H THR 12 H THR 12 -4.030 -9.205 -9.365 89 HA THR 12 HA THR 12 -5.750 -9.718 -11.654 90 HB THR 12 HB THR 12 -3.284 -9.062 -11.783 91 HG1 THR 12 1HG THR 12 -3.211 -11.196 -13.348 92 1HG2 THR 12 1HG2 THR 12 -1.626 -10.764 -11.677 93 2HG2 THR 12 2HG2 THR 12 -2.832 -11.989 -11.298 94 3HG2 THR 12 3HG2 THR 12 -2.469 -10.726 -10.128 95 H ASP 13 H ASP 13 -4.629 -12.201 -12.487 96 HA ASP 13 HA ASP 13 -6.167 -13.995 -10.780 97 1HB ASP 13 2HB ASP 13 -4.879 -14.438 -13.480 98 2HB ASP 13 1HB ASP 13 -5.894 -15.605 -12.638 99 H ALA 14 H ALA 14 -2.922 -13.632 -12.073 100 HA ALA 14 HA ALA 14 -1.819 -15.982 -11.039 101 1HB ALA 14 1HB ALA 14 0.318 -15.037 -11.528 102 2HB ALA 14 2HB ALA 14 -0.337 -13.399 -11.490 103 3HB ALA 14 3HB ALA 14 -0.802 -14.503 -12.781 104 H ALA 15 H ALA 15 -2.160 -12.759 -9.588 105 HA ALA 15 HA ALA 15 -0.549 -13.155 -7.354 106 1HB ALA 15 1HB ALA 15 -1.326 -11.159 -6.711 107 2HB ALA 15 2HB ALA 15 -2.994 -11.724 -6.703 108 3HB ALA 15 3HB ALA 15 -2.261 -11.157 -8.209 109 H ALA 16 H ALA 16 -3.727 -14.291 -8.170 110 HA ALA 16 HA ALA 16 -4.399 -15.371 -5.609 111 1HB ALA 16 1HB ALA 16 -6.074 -14.890 -7.386 112 2HB ALA 16 2HB ALA 16 -6.156 -16.548 -6.797 113 3HB ALA 16 3HB ALA 16 -5.372 -16.196 -8.340 114 H ASN 17 H ASN 17 -2.996 -16.565 -8.578 115 HA ASN 17 HA ASN 17 -2.780 -19.251 -7.982 116 1HB ASN 17 2HB ASN 17 -1.216 -17.406 -9.761 117 2HB ASN 17 1HB ASN 17 -0.774 -19.100 -9.619 118 1HD2 ASN 17 1HD2 ASN 17 -3.566 -17.020 -10.226 119 2HD2 ASN 17 2HD2 ASN 17 -4.279 -18.038 -11.423 120 H LYS 18 H LYS 18 -0.496 -16.615 -7.294 121 HA LYS 18 HA LYS 18 1.594 -18.187 -6.304 122 1HB LYS 18 2HB LYS 18 2.134 -15.947 -6.729 123 2HB LYS 18 1HB LYS 18 0.734 -15.343 -5.858 124 1HG LYS 18 2HG LYS 18 2.807 -16.813 -4.320 125 2HG LYS 18 1HG LYS 18 3.170 -15.174 -4.868 126 1HD LYS 18 2HD LYS 18 0.931 -14.512 -3.844 127 2HD LYS 18 1HD LYS 18 0.951 -16.091 -3.060 128 1HE LYS 18 2HE LYS 18 1.873 -14.674 -1.465 129 2HE LYS 18 1HE LYS 18 3.279 -15.424 -2.219 130 1HZ LYS 18 1HZ LYS 18 3.473 -12.990 -1.893 131 2HZ LYS 18 2HZ LYS 18 2.209 -12.769 -2.994 132 3HZ LYS 18 3HZ LYS 18 3.659 -13.475 -3.503 133 H VAL 19 H VAL 19 -1.397 -17.122 -4.884 134 HA VAL 19 HA VAL 19 -0.678 -17.863 -2.199 135 HB VAL 19 HB VAL 19 -3.362 -17.158 -3.383 136 1HG1 VAL 19 1HG1 VAL 19 -2.563 -18.048 -0.739 137 2HG1 VAL 19 2HG1 VAL 19 -4.172 -17.886 -1.436 138 3HG1 VAL 19 3HG1 VAL 19 -3.384 -16.489 -0.701 139 1HG2 VAL 19 1HG2 VAL 19 -2.490 -15.113 -3.549 140 2HG2 VAL 19 2HG2 VAL 19 -1.060 -15.554 -2.617 141 3HG2 VAL 19 3HG2 VAL 19 -2.538 -15.067 -1.789 142 H LYS 20 H LYS 20 -3.360 -18.950 -4.249 143 HA LYS 20 HA LYS 20 -4.016 -21.240 -2.873 144 1HB LYS 20 2HB LYS 20 -4.919 -22.052 -5.083 145 2HB LYS 20 1HB LYS 20 -5.511 -20.499 -4.527 146 1HG LYS 20 2HG LYS 20 -5.012 -19.746 -6.551 147 2HG LYS 20 1HG LYS 20 -3.325 -19.824 -6.042 148 1HD LYS 20 2HD LYS 20 -3.749 -20.953 -8.213 149 2HD LYS 20 1HD LYS 20 -3.079 -22.022 -6.982 150 1HE LYS 20 2HE LYS 20 -5.104 -23.122 -6.667 151 2HE LYS 20 1HE LYS 20 -6.039 -21.820 -7.393 152 1HZ LYS 20 1HZ LYS 20 -4.097 -23.164 -9.102 153 2HZ LYS 20 2HZ LYS 20 -5.629 -22.550 -9.476 154 3HZ LYS 20 3HZ LYS 20 -5.485 -24.042 -8.685 155 H SER 21 H SER 21 -1.255 -20.730 -4.854 156 HA SER 21 HA SER 21 -0.910 -23.518 -5.427 157 1HB SER 21 2HB SER 21 0.836 -21.128 -6.013 158 2HB SER 21 1HB SER 21 1.228 -22.777 -6.505 159 HG SER 21 HG SER 21 -0.845 -22.764 -7.611 160 H LEU 22 H LEU 22 0.766 -21.114 -3.418 161 HA LEU 22 HA LEU 22 2.548 -23.152 -2.424 162 1HB LEU 22 2HB LEU 22 3.869 -21.490 -1.711 163 2HB LEU 22 1HB LEU 22 2.881 -20.506 -2.766 164 HG LEU 22 HG LEU 22 3.264 -19.403 -0.648 165 1HD1 LEU 22 1HD1 LEU 22 1.269 -18.745 -1.617 166 2HD1 LEU 22 2HD1 LEU 22 0.821 -19.146 0.039 167 3HD1 LEU 22 3HD1 LEU 22 0.481 -20.264 -1.261 168 1HD2 LEU 22 1HD2 LEU 22 3.032 -20.317 1.385 169 2HD2 LEU 22 2HD2 LEU 22 3.157 -21.844 0.518 170 3HD2 LEU 22 3HD2 LEU 22 1.567 -21.198 0.941 171 H ILE 23 H ILE 23 -0.461 -21.735 -1.493 172 HA ILE 23 HA ILE 23 -0.321 -22.464 1.243 173 HB ILE 23 HB ILE 23 -2.747 -22.086 1.259 174 1HG1 ILE 23 2HG1 ILE 23 -3.347 -20.852 -1.066 175 2HG1 ILE 23 1HG1 ILE 23 -2.273 -22.115 -1.651 176 1HG2 ILE 23 1HG2 ILE 23 -0.737 -20.148 0.354 177 2HG2 ILE 23 2HG2 ILE 23 -1.793 -20.106 1.759 178 3HG2 ILE 23 3HG2 ILE 23 -2.413 -19.652 0.170 179 1HD1 ILE 23 1HD1 ILE 23 -3.944 -23.561 -1.567 180 2HD1 ILE 23 2HD1 ILE 23 -5.013 -22.297 -0.957 181 3HD1 ILE 23 3HD1 ILE 23 -4.095 -23.300 0.167 182 H SER 24 H SER 24 -1.860 -23.828 -1.622 183 HA SER 24 HA SER 24 -2.948 -26.111 -0.424 184 1HB SER 24 2HB SER 24 -2.223 -25.293 -3.199 185 2HB SER 24 1HB SER 24 -2.505 -27.007 -2.898 186 HG SER 24 HG SER 24 -4.288 -24.931 -2.992 187 H GLU 25 H GLU 25 0.239 -25.205 -1.285 188 HA GLU 25 HA GLU 25 1.324 -27.852 -1.277 189 1HB GLU 25 2HB GLU 25 2.147 -25.473 -2.358 190 2HB GLU 25 1HB GLU 25 3.200 -25.618 -0.955 191 1HG GLU 25 2HG GLU 25 3.026 -28.107 -2.407 192 2HG GLU 25 1HG GLU 25 3.541 -26.786 -3.451 193 H GLU 26 H GLU 26 0.567 -25.421 1.024 194 HA GLU 26 HA GLU 26 2.488 -26.306 2.977 195 1HB GLU 26 2HB GLU 26 0.109 -24.490 3.248 196 2HB GLU 26 1HB GLU 26 1.307 -24.767 4.499 197 1HG GLU 26 2HG GLU 26 2.442 -23.943 1.944 198 2HG GLU 26 1HG GLU 26 1.352 -22.752 2.656 199 H GLU 27 H GLU 27 -0.584 -27.232 1.894 200 HA GLU 27 HA GLU 27 -1.842 -29.053 2.455 201 1HB GLU 27 2HB GLU 27 0.388 -29.897 3.518 202 2HB GLU 27 1HB GLU 27 -0.354 -29.417 5.036 203 1HG GLU 27 2HG GLU 27 -1.920 -31.062 4.968 204 2HG GLU 27 1HG GLU 27 -1.931 -31.135 3.198 205 H ASN 28 H ASN 28 -1.768 -26.145 3.636 206 HA ASN 28 HA ASN 28 -3.082 -26.162 6.096 207 1HB ASN 28 2HB ASN 28 -3.994 -24.135 4.121 208 2HB ASN 28 1HB ASN 28 -3.509 -23.929 5.789 209 1HD2 ASN 28 1HD2 ASN 28 -2.689 -23.511 2.609 210 2HD2 ASN 28 2HD2 ASN 28 -1.030 -23.105 2.823 211 H THR 29 H THR 29 -4.642 -25.493 2.990 212 HA THR 29 HA THR 29 -6.527 -27.427 2.808 213 HB THR 29 HB THR 29 -7.400 -27.203 4.970 214 HG1 THR 29 1HG THR 29 -9.451 -26.272 4.674 215 1HG2 THR 29 1HG2 THR 29 -7.138 -25.407 6.244 216 2HG2 THR 29 2HG2 THR 29 -8.109 -24.431 5.136 217 3HG2 THR 29 3HG2 THR 29 -6.367 -24.603 4.872 218 H ASP 30 H ASP 30 -6.436 -23.884 3.037 219 HA ASP 30 HA ASP 30 -6.790 -23.300 0.365 220 1HB ASP 30 2HB ASP 30 -9.299 -24.077 1.698 221 2HB ASP 30 1HB ASP 30 -9.371 -22.504 0.904 222 H LEU 31 H LEU 31 -5.234 -22.092 1.715 223 HA LEU 31 HA LEU 31 -5.901 -20.198 3.597 224 1HB LEU 31 2HB LEU 31 -3.657 -21.016 2.111 225 2HB LEU 31 1HB LEU 31 -3.712 -19.278 2.046 226 HG LEU 31 HG LEU 31 -2.354 -19.893 3.889 227 1HD1 LEU 31 1HD1 LEU 31 -3.421 -18.753 5.645 228 2HD1 LEU 31 2HD1 LEU 31 -5.017 -19.268 5.106 229 3HD1 LEU 31 3HD1 LEU 31 -4.108 -18.091 4.164 230 1HD2 LEU 31 1HD2 LEU 31 -2.634 -21.748 5.060 231 2HD2 LEU 31 2HD2 LEU 31 -4.003 -22.151 4.014 232 3HD2 LEU 31 3HD2 LEU 31 -4.262 -21.284 5.535 233 H LYS 32 H LYS 32 -5.998 -17.983 3.542 234 HA LYS 32 HA LYS 32 -7.028 -16.827 1.038 235 1HB LYS 32 2HB LYS 32 -7.689 -15.893 3.834 236 2HB LYS 32 1HB LYS 32 -8.488 -15.440 2.337 237 1HG LYS 32 2HG LYS 32 -9.524 -17.547 2.134 238 2HG LYS 32 1HG LYS 32 -8.492 -18.255 3.377 239 1HD LYS 32 2HD LYS 32 -10.738 -17.812 4.234 240 2HD LYS 32 1HD LYS 32 -9.532 -16.825 5.063 241 1HE LYS 32 2HE LYS 32 -10.106 -14.994 3.398 242 2HE LYS 32 1HE LYS 32 -11.501 -15.983 2.950 243 1HZ LYS 32 1HZ LYS 32 -10.985 -14.501 5.419 244 2HZ LYS 32 2HZ LYS 32 -11.841 -15.951 5.539 245 3HZ LYS 32 3HZ LYS 32 -12.429 -14.704 4.560 246 H LEU 33 H LEU 33 -5.788 -15.247 0.206 247 HA LEU 33 HA LEU 33 -3.392 -14.437 1.353 248 1HB LEU 33 2HB LEU 33 -4.164 -14.325 -1.081 249 2HB LEU 33 1HB LEU 33 -4.947 -12.821 -0.649 250 HG LEU 33 HG LEU 33 -2.694 -12.617 -1.751 251 1HD1 LEU 33 1HD1 LEU 33 -3.706 -11.247 0.591 252 2HD1 LEU 33 2HD1 LEU 33 -3.025 -10.604 -0.892 253 3HD1 LEU 33 3HD1 LEU 33 -1.959 -11.102 0.421 254 1HD2 LEU 33 1HD2 LEU 33 -0.889 -13.606 -0.926 255 2HD2 LEU 33 2HD2 LEU 33 -1.940 -14.458 0.203 256 3HD2 LEU 33 3HD2 LEU 33 -1.184 -12.938 0.678 257 H ARG 34 H ARG 34 -2.726 -12.564 2.377 258 HA ARG 34 HA ARG 34 -4.773 -10.667 3.215 259 1HB ARG 34 2HB ARG 34 -4.651 -12.259 5.048 260 2HB ARG 34 1HB ARG 34 -2.905 -12.088 5.112 261 1HG ARG 34 2HG ARG 34 -4.427 -9.592 5.412 262 2HG ARG 34 1HG ARG 34 -4.615 -10.766 6.715 263 1HD ARG 34 2HD ARG 34 -1.848 -10.505 5.923 264 2HD ARG 34 1HD ARG 34 -2.534 -8.945 6.378 265 HE ARG 34 HE ARG 34 -3.278 -10.785 8.328 266 1HH1 ARG 34 1HH1 ARG 34 -0.351 -9.341 7.090 267 2HH1 ARG 34 2HH1 ARG 34 0.490 -9.456 8.596 268 1HH2 ARG 34 1HH2 ARG 34 -2.174 -10.935 10.305 269 2HH2 ARG 34 2HH2 ARG 34 -0.541 -10.363 10.424 270 H VAL 35 H VAL 35 -3.958 -9.039 2.054 271 HA VAL 35 HA VAL 35 -1.185 -8.487 1.800 272 HB VAL 35 HB VAL 35 -3.424 -6.564 1.267 273 1HG1 VAL 35 1HG1 VAL 35 -0.641 -6.879 0.160 274 2HG1 VAL 35 2HG1 VAL 35 -1.274 -5.536 1.115 275 3HG1 VAL 35 3HG1 VAL 35 -1.857 -5.804 -0.528 276 1HG2 VAL 35 1HG2 VAL 35 -4.108 -8.484 0.145 277 2HG2 VAL 35 2HG2 VAL 35 -2.463 -8.892 -0.345 278 3HG2 VAL 35 3HG2 VAL 35 -3.289 -7.517 -1.079 279 H TYR 36 H TYR 36 -0.069 -6.664 2.420 280 HA TYR 36 HA TYR 36 -1.092 -5.051 4.620 281 1HB TYR 36 2HB TYR 36 1.448 -5.404 5.505 282 2HB TYR 36 1HB TYR 36 0.073 -6.328 6.099 283 HD1 TYR 36 1HD TYR 36 3.316 -6.549 4.781 284 HD2 TYR 36 2HD TYR 36 -0.457 -8.512 4.712 285 HE1 TYR 36 1HE TYR 36 4.420 -8.629 4.076 286 HE2 TYR 36 2HE TYR 36 0.633 -10.596 4.007 287 HH TYR 36 HH TYR 36 3.898 -10.708 2.970 288 H ILE 37 H ILE 37 0.879 -3.391 5.137 289 HA ILE 37 HA ILE 37 1.328 -2.126 2.566 290 HB ILE 37 HB ILE 37 1.654 -1.190 5.402 291 1HG1 ILE 37 2HG1 ILE 37 -0.595 -1.148 4.466 292 2HG1 ILE 37 1HG1 ILE 37 0.007 0.500 4.661 293 1HG2 ILE 37 1HG2 ILE 37 2.901 -0.104 2.953 294 2HG2 ILE 37 2HG2 ILE 37 3.418 0.009 4.636 295 3HG2 ILE 37 3HG2 ILE 37 2.132 1.059 4.035 296 1HD1 ILE 37 1HD1 ILE 37 -0.893 0.651 2.586 297 2HD1 ILE 37 2HD1 ILE 37 -0.574 -1.039 2.197 298 3HD1 ILE 37 3HD1 ILE 37 0.737 0.140 2.153 299 H THR 38 H THR 38 3.056 -2.595 1.426 300 HA THR 38 HA THR 38 5.675 -2.660 2.709 301 HB THR 38 HB THR 38 4.860 -4.846 0.801 302 HG1 THR 38 1HG THR 38 4.809 -4.803 3.628 303 1HG2 THR 38 1HG2 THR 38 7.304 -4.178 2.279 304 2HG2 THR 38 2HG2 THR 38 7.086 -5.061 0.768 305 3HG2 THR 38 3HG2 THR 38 6.821 -5.874 2.311 306 H GLY 39 H GLY 39 3.998 -1.072 0.672 307 1HA GLY 39 2HA GLY 39 5.036 -1.247 -1.882 308 2HA GLY 39 1HA GLY 39 4.424 0.230 -1.153 309 H GLY 40 H GLY 40 6.030 1.333 -2.408 310 1HA GLY 40 2HA GLY 40 8.753 1.078 -1.291 311 2HA GLY 40 1HA GLY 40 8.407 1.589 -2.941 312 H GLY 41 H GLY 41 7.512 3.678 -3.299 313 1HA GLY 41 2HA GLY 41 8.650 5.706 -1.741 314 2HA GLY 41 1HA GLY 41 7.394 5.942 -2.948 315 H CYS 42 H CYS 42 6.601 7.614 -1.516 316 HA CYS 42 HA CYS 42 5.580 6.919 1.069 317 1HB CYS 42 2HB CYS 42 6.199 9.285 -0.218 318 2HB CYS 42 1HB CYS 42 4.441 9.322 -0.150 319 HG CYS 42 HG CYS 42 6.307 9.763 2.180 320 H SER 43 H SER 43 4.353 6.871 -2.170 321 HA SER 43 HA SER 43 1.579 6.835 -1.431 322 1HB SER 43 2HB SER 43 2.870 6.024 -4.046 323 2HB SER 43 1HB SER 43 1.159 6.363 -3.787 324 HG SER 43 HG SER 43 3.335 8.169 -3.640 325 H GLY 44 H GLY 44 3.447 4.348 -3.180 326 1HA GLY 44 2HA GLY 44 3.685 2.123 -2.138 327 2HA GLY 44 1HA GLY 44 2.038 2.318 -1.556 328 H PHE 45 H PHE 45 3.609 0.470 -3.535 329 HA PHE 45 HA PHE 45 1.365 0.212 -5.362 330 1HB PHE 45 2HB PHE 45 2.627 0.312 -7.375 331 2HB PHE 45 1HB PHE 45 3.069 1.743 -6.442 332 HD1 PHE 45 1HD PHE 45 5.055 0.909 -4.613 333 HD2 PHE 45 2HD PHE 45 4.416 -0.434 -8.594 334 HE1 PHE 45 1HE PHE 45 7.414 0.264 -4.760 335 HE2 PHE 45 2HE PHE 45 6.786 -1.078 -8.760 336 HZ PHE 45 HZ PHE 45 8.292 -0.730 -6.840 337 H GLN 46 H GLN 46 3.295 -1.277 -3.243 338 HA GLN 46 HA GLN 46 3.361 -3.784 -4.783 339 1HB GLN 46 2HB GLN 46 5.293 -2.531 -3.003 340 2HB GLN 46 1HB GLN 46 4.964 -4.204 -2.573 341 1HG GLN 46 2HG GLN 46 5.507 -4.902 -4.827 342 2HG GLN 46 1HG GLN 46 5.794 -3.224 -5.284 343 1HE2 GLN 46 1HE2 GLN 46 7.356 -2.095 -3.730 344 2HE2 GLN 46 2HE2 GLN 46 8.808 -2.966 -3.364 345 H TYR 47 H TYR 47 3.542 -3.178 -1.297 346 HA TYR 47 HA TYR 47 2.202 -3.834 0.430 347 1HB TYR 47 2HB TYR 47 0.188 -4.858 -1.564 348 2HB TYR 47 1HB TYR 47 -0.085 -4.342 0.098 349 HD1 TYR 47 1HD TYR 47 0.336 -1.880 0.651 350 HD2 TYR 47 2HD TYR 47 -0.087 -3.339 -3.321 351 HE1 TYR 47 1HE TYR 47 -0.182 0.394 -0.119 352 HE2 TYR 47 2HE TYR 47 -0.611 -1.065 -4.105 353 HH TYR 47 HH TYR 47 -0.151 1.705 -2.138 354 H GLY 48 H GLY 48 2.994 -5.462 1.520 355 1HA GLY 48 2HA GLY 48 3.846 -7.892 0.328 356 2HA GLY 48 1HA GLY 48 3.786 -7.554 2.048 357 H PHE 49 H PHE 49 2.905 -9.796 0.077 358 HA PHE 49 HA PHE 49 0.154 -10.124 1.028 359 1HB PHE 49 2HB PHE 49 1.683 -11.141 -1.323 360 2HB PHE 49 1HB PHE 49 0.316 -12.072 -0.731 361 HD1 PHE 49 1HD PHE 49 -1.211 -11.813 -2.461 362 HD2 PHE 49 2HD PHE 49 0.664 -8.397 -0.774 363 HE1 PHE 49 1HE PHE 49 -2.772 -10.365 -3.688 364 HE2 PHE 49 2HE PHE 49 -0.874 -6.933 -1.996 365 HZ PHE 49 HZ PHE 49 -2.604 -7.913 -3.460 366 H THR 50 H THR 50 -0.433 -11.729 2.344 367 HA THR 50 HA THR 50 1.469 -13.912 2.877 368 HB THR 50 HB THR 50 1.477 -12.136 4.713 369 HG1 THR 50 1HG THR 50 2.075 -14.384 4.986 370 1HG2 THR 50 1HG2 THR 50 -0.290 -11.797 6.103 371 2HG2 THR 50 2HG2 THR 50 -1.012 -13.371 5.752 372 3HG2 THR 50 3HG2 THR 50 -1.143 -12.059 4.584 373 H PHE 51 H PHE 51 0.319 -15.783 4.015 374 HA PHE 51 HA PHE 51 -2.352 -16.049 2.839 375 1HB PHE 51 2HB PHE 51 -0.619 -18.364 3.674 376 2HB PHE 51 1HB PHE 51 -1.906 -18.323 2.470 377 HD1 PHE 51 1HD PHE 51 1.596 -18.069 3.020 378 HD2 PHE 51 2HD PHE 51 -1.535 -16.880 0.403 379 HE1 PHE 51 1HE PHE 51 3.257 -17.523 1.288 380 HE2 PHE 51 2HE PHE 51 0.118 -16.332 -1.336 381 HZ PHE 51 HZ PHE 51 2.524 -16.658 -0.888 382 H ASP 52 H ASP 52 -3.675 -15.380 4.351 383 HA ASP 52 HA ASP 52 -3.530 -16.616 7.018 384 1HB ASP 52 2HB ASP 52 -3.108 -14.297 7.271 385 2HB ASP 52 1HB ASP 52 -4.389 -13.864 6.152 386 H GLU 53 H GLU 53 -4.948 -18.231 7.024 387 HA GLU 53 HA GLU 53 -7.418 -18.160 5.568 388 1HB GLU 53 2HB GLU 53 -5.766 -20.149 6.658 389 2HB GLU 53 1HB GLU 53 -7.296 -20.281 7.512 390 1HG GLU 53 2HG GLU 53 -7.719 -19.953 4.690 391 2HG GLU 53 1HG GLU 53 -6.655 -21.315 5.022 392 H LYS 54 H LYS 54 -6.472 -17.401 8.822 393 HA LYS 54 HA LYS 54 -8.842 -17.902 10.160 394 1HB LYS 54 2HB LYS 54 -7.990 -15.696 11.496 395 2HB LYS 54 1HB LYS 54 -7.377 -17.314 11.763 396 1HG LYS 54 2HG LYS 54 -6.017 -15.859 9.628 397 2HG LYS 54 1HG LYS 54 -5.849 -15.140 11.224 398 1HD LYS 54 2HD LYS 54 -5.315 -18.047 10.629 399 2HD LYS 54 1HD LYS 54 -4.070 -16.797 10.622 400 1HE LYS 54 2HE LYS 54 -5.814 -17.542 12.968 401 2HE LYS 54 1HE LYS 54 -4.128 -18.003 12.753 402 1HZ LYS 54 1HZ LYS 54 -5.265 -15.385 13.420 403 2HZ LYS 54 2HZ LYS 54 -3.821 -15.432 12.546 404 3HZ LYS 54 3HZ LYS 54 -3.913 -16.167 14.066 405 H VAL 55 H VAL 55 -8.170 -14.499 10.135 406 HA VAL 55 HA VAL 55 -10.225 -13.774 8.283 407 HB VAL 55 HB VAL 55 -11.045 -12.760 10.903 408 1HG1 VAL 55 1HG1 VAL 55 -12.088 -12.731 8.445 409 2HG1 VAL 55 2HG1 VAL 55 -13.054 -12.586 9.910 410 3HG1 VAL 55 3HG1 VAL 55 -12.918 -14.145 9.098 411 1HG2 VAL 55 1HG2 VAL 55 -12.170 -14.706 11.692 412 2HG2 VAL 55 2HG2 VAL 55 -10.471 -15.120 11.460 413 3HG2 VAL 55 3HG2 VAL 55 -11.675 -15.628 10.276 414 H ASN 56 H ASN 56 -9.132 -12.504 11.382 415 HA ASN 56 HA ASN 56 -7.775 -10.730 11.901 416 1HB ASN 56 2HB ASN 56 -7.796 -9.818 9.030 417 2HB ASN 56 1HB ASN 56 -6.609 -9.458 10.281 418 1HD2 ASN 56 1HD2 ASN 56 -6.395 -12.132 11.258 419 2HD2 ASN 56 2HD2 ASN 56 -5.544 -13.048 10.062 420 H ASP 57 H ASP 57 -9.656 -10.079 13.006 421 HA ASP 57 HA ASP 57 -11.874 -8.804 12.036 422 1HB ASP 57 2HB ASP 57 -10.470 -8.009 14.588 423 2HB ASP 57 1HB ASP 57 -12.176 -7.841 14.223 424 H GLY 58 H GLY 58 -12.372 -6.837 11.250 425 1HA GLY 58 2HA GLY 58 -12.115 -4.633 10.594 426 2HA GLY 58 1HA GLY 58 -10.687 -4.540 11.628 427 H ASP 59 H ASP 59 -11.330 -6.832 9.040 428 HA ASP 59 HA ASP 59 -9.227 -5.617 7.391 429 1HB ASP 59 2HB ASP 59 -8.291 -7.548 8.740 430 2HB ASP 59 1HB ASP 59 -9.457 -8.591 7.926 431 H LEU 60 H LEU 60 -10.321 -5.030 5.585 432 HA LEU 60 HA LEU 60 -12.706 -6.224 4.715 433 1HB LEU 60 2HB LEU 60 -10.779 -4.795 2.902 434 2HB LEU 60 1HB LEU 60 -12.513 -4.944 2.720 435 HG LEU 60 HG LEU 60 -10.939 -3.040 4.339 436 1HD1 LEU 60 1HD1 LEU 60 -12.039 -2.159 2.467 437 2HD1 LEU 60 2HD1 LEU 60 -13.039 -1.690 3.843 438 3HD1 LEU 60 3HD1 LEU 60 -13.529 -3.040 2.821 439 1HD2 LEU 60 1HD2 LEU 60 -13.107 -2.733 5.754 440 2HD2 LEU 60 2HD2 LEU 60 -11.906 -3.925 6.245 441 3HD2 LEU 60 3HD2 LEU 60 -13.359 -4.440 5.392 442 H THR 61 H THR 61 -13.146 -7.730 3.057 443 HA THR 61 HA THR 61 -10.810 -9.269 2.177 444 HB THR 61 HB THR 61 -11.704 -11.300 2.825 445 HG1 THR 61 1HG THR 61 -13.742 -11.172 1.952 446 1HG2 THR 61 1HG2 THR 61 -12.099 -11.213 5.074 447 2HG2 THR 61 2HG2 THR 61 -13.055 -9.735 4.959 448 3HG2 THR 61 3HG2 THR 61 -11.299 -9.667 4.794 449 H ILE 62 H ILE 62 -10.677 -9.649 0.133 450 HA ILE 62 HA ILE 62 -13.067 -9.496 -1.585 451 HB ILE 62 HB ILE 62 -10.914 -9.194 -3.285 452 1HG1 ILE 62 2HG1 ILE 62 -9.469 -8.877 -1.230 453 2HG1 ILE 62 1HG1 ILE 62 -9.406 -7.573 -2.409 454 1HG2 ILE 62 1HG2 ILE 62 -13.071 -7.561 -2.241 455 2HG2 ILE 62 2HG2 ILE 62 -12.473 -7.741 -3.890 456 3HG2 ILE 62 3HG2 ILE 62 -11.690 -6.611 -2.788 457 1HD1 ILE 62 1HD1 ILE 62 -10.074 -6.092 -0.906 458 2HD1 ILE 62 2HD1 ILE 62 -9.870 -7.350 0.313 459 3HD1 ILE 62 3HD1 ILE 62 -11.447 -7.092 -0.432 460 H GLU 63 H GLU 63 -13.548 -11.405 -2.620 461 HA GLU 63 HA GLU 63 -12.084 -13.742 -2.138 462 1HB GLU 63 2HB GLU 63 -14.513 -13.499 -2.887 463 2HB GLU 63 1HB GLU 63 -13.876 -13.372 -4.520 464 1HG GLU 63 2HG GLU 63 -12.691 -15.584 -4.027 465 2HG GLU 63 1HG GLU 63 -13.784 -15.705 -2.649 466 H LYS 64 H LYS 64 -10.839 -15.071 -3.555 467 HA LYS 64 HA LYS 64 -9.433 -13.525 -5.626 468 1HB LYS 64 2HB LYS 64 -8.365 -15.732 -3.859 469 2HB LYS 64 1HB LYS 64 -7.449 -14.908 -5.120 470 1HG LYS 64 2HG LYS 64 -7.865 -12.769 -3.901 471 2HG LYS 64 1HG LYS 64 -8.558 -13.719 -2.594 472 1HD LYS 64 2HD LYS 64 -6.241 -13.152 -2.113 473 2HD LYS 64 1HD LYS 64 -6.418 -14.887 -2.321 474 1HE LYS 64 2HE LYS 64 -5.054 -14.921 -4.080 475 2HE LYS 64 1HE LYS 64 -5.804 -13.501 -4.802 476 1HZ LYS 64 1HZ LYS 64 -3.674 -12.795 -4.340 477 2HZ LYS 64 2HZ LYS 64 -3.587 -13.641 -2.881 478 3HZ LYS 64 3HZ LYS 64 -4.526 -12.241 -2.986 479 H SER 65 H SER 65 -8.306 -14.960 -7.243 480 HA SER 65 HA SER 65 -10.102 -16.245 -8.851 481 1HB SER 65 2HB SER 65 -7.417 -15.650 -8.979 482 2HB SER 65 1HB SER 65 -7.426 -17.408 -9.046 483 HG SER 65 HG SER 65 -9.115 -17.081 -10.723 484 H GLY 66 H GLY 66 -8.034 -17.717 -6.385 485 1HA GLY 66 2HA GLY 66 -9.710 -20.134 -6.587 486 2HA GLY 66 1HA GLY 66 -7.958 -20.259 -6.522 487 H VAL 67 H VAL 67 -8.999 -17.690 -4.629 488 HA VAL 67 HA VAL 67 -9.582 -19.237 -2.251 489 HB VAL 67 HB VAL 67 -7.699 -18.485 -0.951 490 1HG1 VAL 67 1HG1 VAL 67 -7.455 -20.551 -2.305 491 2HG1 VAL 67 2HG1 VAL 67 -5.920 -19.740 -1.959 492 3HG1 VAL 67 3HG1 VAL 67 -6.664 -19.588 -3.555 493 1HG2 VAL 67 1HG2 VAL 67 -7.498 -16.331 -2.360 494 2HG2 VAL 67 2HG2 VAL 67 -6.416 -17.285 -3.370 495 3HG2 VAL 67 3HG2 VAL 67 -6.038 -17.033 -1.666 496 H GLN 68 H GLN 68 -8.627 -16.932 -0.561 497 HA GLN 68 HA GLN 68 -10.520 -14.861 -1.420 498 1HB GLN 68 2HB GLN 68 -10.755 -16.603 0.874 499 2HB GLN 68 1HB GLN 68 -10.645 -14.925 1.386 500 1HG GLN 68 2HG GLN 68 -12.483 -15.434 -0.849 501 2HG GLN 68 1HG GLN 68 -12.928 -16.166 0.689 502 1HE2 GLN 68 1HE2 GLN 68 -11.183 -13.163 0.228 503 2HE2 GLN 68 2HE2 GLN 68 -12.390 -12.136 0.898 504 H LEU 69 H LEU 69 -9.835 -12.802 -1.128 505 HA LEU 69 HA LEU 69 -7.183 -12.449 0.080 506 1HB LEU 69 2HB LEU 69 -7.346 -11.703 -2.218 507 2HB LEU 69 1HB LEU 69 -8.737 -10.718 -1.840 508 HG LEU 69 HG LEU 69 -7.475 -9.065 -0.832 509 1HD1 LEU 69 1HD1 LEU 69 -6.026 -9.675 0.743 510 2HD1 LEU 69 2HD1 LEU 69 -4.851 -9.908 -0.550 511 3HD1 LEU 69 3HD1 LEU 69 -5.804 -11.267 0.023 512 1HD2 LEU 69 1HD2 LEU 69 -5.824 -8.459 -2.389 513 2HD2 LEU 69 2HD2 LEU 69 -6.976 -9.445 -3.293 514 3HD2 LEU 69 3HD2 LEU 69 -5.447 -10.143 -2.756 515 H VAL 70 H VAL 70 -6.863 -11.152 1.817 516 HA VAL 70 HA VAL 70 -9.024 -9.400 2.696 517 HB VAL 70 HB VAL 70 -9.457 -10.405 4.674 518 1HG1 VAL 70 1HG1 VAL 70 -9.936 -12.185 3.188 519 2HG1 VAL 70 2HG1 VAL 70 -9.147 -12.899 4.595 520 3HG1 VAL 70 3HG1 VAL 70 -8.237 -12.658 3.101 521 1HG2 VAL 70 1HG2 VAL 70 -7.839 -11.600 6.073 522 2HG2 VAL 70 2HG2 VAL 70 -7.248 -10.000 5.631 523 3HG2 VAL 70 3HG2 VAL 70 -6.622 -11.428 4.810 524 H ILE 71 H ILE 71 -8.107 -7.445 2.788 525 HA ILE 71 HA ILE 71 -5.314 -7.303 3.705 526 HB ILE 71 HB ILE 71 -4.900 -5.455 2.369 527 1HG1 ILE 71 2HG1 ILE 71 -6.853 -4.108 2.987 528 2HG1 ILE 71 1HG1 ILE 71 -6.611 -4.109 1.245 529 1HG2 ILE 71 1HG2 ILE 71 -5.619 -7.722 1.205 530 2HG2 ILE 71 2HG2 ILE 71 -5.139 -6.300 0.276 531 3HG2 ILE 71 3HG2 ILE 71 -6.848 -6.674 0.499 532 1HD1 ILE 71 1HD1 ILE 71 -8.849 -4.441 1.309 533 2HD1 ILE 71 2HD1 ILE 71 -8.794 -5.278 2.860 534 3HD1 ILE 71 3HD1 ILE 71 -8.320 -6.121 1.386 535 H ASP 72 H ASP 72 -4.643 -5.459 4.920 536 HA ASP 72 HA ASP 72 -6.530 -4.884 7.028 537 1HB ASP 72 2HB ASP 72 -4.595 -3.796 8.133 538 2HB ASP 72 1HB ASP 72 -4.255 -5.453 7.631 539 HA PRO 73 HA PRO 73 -8.225 -0.975 5.948 540 1HB PRO 73 2HB PRO 73 -7.201 -0.196 8.650 541 2HB PRO 73 1HB PRO 73 -8.785 0.086 7.924 542 1HG PRO 73 2HG PRO 73 -8.431 -1.867 9.698 543 2HG PRO 73 1HG PRO 73 -9.490 -2.092 8.295 544 1HD PRO 73 2HD PRO 73 -6.794 -3.210 8.828 545 2HD PRO 73 1HD PRO 73 -8.112 -3.868 7.849 546 H MET 74 H MET 74 -5.024 -0.970 7.494 547 HA MET 74 HA MET 74 -4.268 1.605 6.788 548 1HB MET 74 2HB MET 74 -2.733 0.783 8.248 549 2HB MET 74 1HB MET 74 -2.905 -0.859 7.655 550 1HG MET 74 2HG MET 74 -1.216 -0.651 6.171 551 2HG MET 74 1HG MET 74 -1.504 1.065 5.892 552 1HE MET 74 1HE MET 74 -0.339 3.011 7.262 553 2HE MET 74 2HE MET 74 0.200 2.761 8.924 554 3HE MET 74 3HE MET 74 -1.487 2.482 8.492 555 H SER 75 H SER 75 -3.878 -1.446 5.059 556 HA SER 75 HA SER 75 -2.671 -0.196 2.779 557 1HB SER 75 2HB SER 75 -2.924 -2.384 1.701 558 2HB SER 75 1HB SER 75 -2.264 -2.577 3.324 559 HG SER 75 HG SER 75 -4.619 -3.477 2.279 560 H LEU 76 H LEU 76 -5.895 -1.057 3.811 561 HA LEU 76 HA LEU 76 -7.376 -1.050 1.539 562 1HB LEU 76 2HB LEU 76 -8.740 -1.417 3.270 563 2HB LEU 76 1HB LEU 76 -7.846 -0.354 4.328 564 HG LEU 76 HG LEU 76 -9.714 0.734 2.237 565 1HD1 LEU 76 1HD1 LEU 76 -11.070 -0.728 3.527 566 2HD1 LEU 76 2HD1 LEU 76 -11.340 0.905 4.132 567 3HD1 LEU 76 3HD1 LEU 76 -10.297 -0.204 5.021 568 1HD2 LEU 76 1HD2 LEU 76 -9.718 2.335 4.481 569 2HD2 LEU 76 2HD2 LEU 76 -8.790 2.621 3.008 570 3HD2 LEU 76 3HD2 LEU 76 -8.047 1.785 4.371 571 H GLN 77 H GLN 77 -6.304 1.849 3.279 572 HA GLN 77 HA GLN 77 -7.527 3.563 1.355 573 1HB GLN 77 2HB GLN 77 -7.294 5.159 2.889 574 2HB GLN 77 1HB GLN 77 -6.724 3.894 3.960 575 1HG GLN 77 2HG GLN 77 -4.543 4.881 2.372 576 2HG GLN 77 1HG GLN 77 -5.383 6.215 3.159 577 1HE2 GLN 77 1HE2 GLN 77 -4.930 2.891 4.215 578 2HE2 GLN 77 2HE2 GLN 77 -4.061 3.275 5.655 579 H TYR 78 H TYR 78 -4.520 1.945 1.584 580 HA TYR 78 HA TYR 78 -3.137 3.774 -0.167 581 1HB TYR 78 2HB TYR 78 -2.404 1.118 1.044 582 2HB TYR 78 1HB TYR 78 -1.382 1.916 -0.151 583 HD1 TYR 78 1HD TYR 78 0.468 2.871 0.810 584 HD2 TYR 78 2HD TYR 78 -3.233 3.059 2.893 585 HE1 TYR 78 1HE TYR 78 1.555 4.145 2.611 586 HE2 TYR 78 2HE TYR 78 -2.157 4.327 4.702 587 HH TYR 78 HH TYR 78 0.093 5.948 4.726 588 H LEU 79 H LEU 79 -4.664 0.603 -0.365 589 HA LEU 79 HA LEU 79 -3.950 0.385 -3.171 590 1HB LEU 79 2HB LEU 79 -4.770 -1.857 -3.124 591 2HB LEU 79 1HB LEU 79 -3.693 -1.577 -1.784 592 HG LEU 79 HG LEU 79 -6.053 -2.913 -1.644 593 1HD1 LEU 79 1HD1 LEU 79 -4.780 -3.335 0.138 594 2HD1 LEU 79 2HD1 LEU 79 -5.769 -2.094 0.910 595 3HD1 LEU 79 3HD1 LEU 79 -4.190 -1.676 0.241 596 1HD2 LEU 79 1HD2 LEU 79 -7.601 -1.569 -0.312 597 2HD2 LEU 79 2HD2 LEU 79 -7.436 -0.946 -1.951 598 3HD2 LEU 79 3HD2 LEU 79 -6.613 -0.144 -0.614 599 H ILE 80 H ILE 80 -6.601 1.532 -1.418 600 HA ILE 80 HA ILE 80 -8.937 1.081 -2.327 601 HB ILE 80 HB ILE 80 -9.573 3.366 -2.572 602 1HG1 ILE 80 2HG1 ILE 80 -7.929 4.103 -4.196 603 2HG1 ILE 80 1HG1 ILE 80 -7.897 5.177 -2.800 604 1HG2 ILE 80 1HG2 ILE 80 -8.979 2.710 -0.333 605 2HG2 ILE 80 2HG2 ILE 80 -8.510 4.388 -0.608 606 3HG2 ILE 80 3HG2 ILE 80 -7.290 3.115 -0.638 607 1HD1 ILE 80 1HD1 ILE 80 -5.934 3.932 -1.961 608 2HD1 ILE 80 2HD1 ILE 80 -5.657 4.731 -3.509 609 3HD1 ILE 80 3HD1 ILE 80 -5.944 2.993 -3.448 610 H GLY 81 H GLY 81 -9.960 0.465 -4.013 611 1HA GLY 81 2HA GLY 81 -10.292 -0.247 -6.184 612 2HA GLY 81 1HA GLY 81 -10.443 1.491 -6.394 613 H GLY 82 H GLY 82 -7.366 -0.120 -5.711 614 1HA GLY 82 2HA GLY 82 -6.338 0.965 -8.213 615 2HA GLY 82 1HA GLY 82 -5.389 0.191 -6.946 616 H THR 83 H THR 83 -4.291 -1.128 -8.450 617 HA THR 83 HA THR 83 -5.773 -3.520 -9.166 618 HB THR 83 HB THR 83 -4.362 -1.818 -11.223 619 HG1 THR 83 1HG THR 83 -6.991 -2.872 -11.177 620 1HG2 THR 83 1HG2 THR 83 -3.852 -3.629 -12.378 621 2HG2 THR 83 2HG2 THR 83 -5.572 -4.010 -12.475 622 3HG2 THR 83 3HG2 THR 83 -4.596 -4.666 -11.158 623 H VAL 84 H VAL 84 -4.561 -5.310 -8.889 624 HA VAL 84 HA VAL 84 -1.644 -4.953 -8.715 625 HB VAL 84 HB VAL 84 -1.622 -5.595 -6.604 626 1HG1 VAL 84 1HG1 VAL 84 -3.855 -4.685 -6.354 627 2HG1 VAL 84 2HG1 VAL 84 -3.596 -6.062 -5.291 628 3HG1 VAL 84 3HG1 VAL 84 -4.551 -6.254 -6.759 629 1HG2 VAL 84 1HG2 VAL 84 -1.151 -7.790 -7.327 630 2HG2 VAL 84 2HG2 VAL 84 -2.850 -8.126 -7.643 631 3HG2 VAL 84 3HG2 VAL 84 -2.285 -7.928 -5.987 632 H ASP 85 H ASP 85 -0.349 -6.695 -9.290 633 HA ASP 85 HA ASP 85 -1.564 -9.061 -10.404 634 1HB ASP 85 2HB ASP 85 -0.102 -8.675 -12.551 635 2HB ASP 85 1HB ASP 85 -1.705 -7.949 -12.429 636 H TYR 86 H TYR 86 -0.164 -10.805 -10.463 637 HA TYR 86 HA TYR 86 2.490 -10.276 -9.312 638 1HB TYR 86 2HB TYR 86 0.415 -11.920 -8.404 639 2HB TYR 86 1HB TYR 86 1.629 -13.019 -9.047 640 HD1 TYR 86 1HD TYR 86 4.126 -12.309 -8.328 641 HD2 TYR 86 2HD TYR 86 0.577 -11.393 -6.182 642 HE1 TYR 86 1HE TYR 86 5.446 -12.068 -6.273 643 HE2 TYR 86 2HE TYR 86 1.880 -11.145 -4.112 644 HH TYR 86 HH TYR 86 3.898 -11.289 -3.167 645 H THR 87 H THR 87 4.269 -11.397 -10.061 646 HA THR 87 HA THR 87 3.961 -13.170 -12.336 647 HB THR 87 HB THR 87 5.604 -10.641 -12.494 648 HG1 THR 87 1HG THR 87 3.354 -10.337 -12.823 649 1HG2 THR 87 1HG2 THR 87 6.385 -11.254 -14.560 650 2HG2 THR 87 2HG2 THR 87 5.108 -12.447 -14.809 651 3HG2 THR 87 3HG2 THR 87 6.432 -12.790 -13.693 652 H GLU 88 H GLU 88 4.801 -14.772 -10.990 653 HA GLU 88 HA GLU 88 7.508 -14.371 -9.951 654 1HB GLU 88 2HB GLU 88 5.680 -16.736 -9.521 655 2HB GLU 88 1HB GLU 88 7.155 -16.362 -8.640 656 1HG GLU 88 2HG GLU 88 6.020 -14.250 -7.873 657 2HG GLU 88 1HG GLU 88 4.531 -14.907 -8.549 658 H GLY 89 H GLY 89 9.066 -16.160 -10.193 659 1HA GLY 89 2HA GLY 89 8.999 -18.273 -11.899 660 2HA GLY 89 1HA GLY 89 9.254 -16.901 -12.974 661 H LEU 90 H LEU 90 11.311 -16.922 -13.578 662 HA LEU 90 HA LEU 90 13.399 -17.897 -11.848 663 1HB LEU 90 2HB LEU 90 13.319 -18.251 -14.319 664 2HB LEU 90 1HB LEU 90 13.656 -16.543 -14.528 665 HG LEU 90 HG LEU 90 15.847 -16.750 -13.695 666 1HD1 LEU 90 1HD1 LEU 90 15.372 -18.083 -11.725 667 2HD1 LEU 90 2HD1 LEU 90 16.712 -18.784 -12.634 668 3HD1 LEU 90 3HD1 LEU 90 15.107 -19.505 -12.729 669 1HD2 LEU 90 1HD2 LEU 90 16.726 -18.821 -14.959 670 2HD2 LEU 90 2HD2 LEU 90 15.921 -17.546 -15.872 671 3HD2 LEU 90 3HD2 LEU 90 15.051 -19.021 -15.465 672 H GLU 91 H GLU 91 12.700 -14.790 -13.433 673 HA GLU 91 HA GLU 91 14.749 -13.298 -12.305 674 1HB GLU 91 2HB GLU 91 11.974 -12.254 -12.876 675 2HB GLU 91 1HB GLU 91 13.481 -11.342 -12.877 676 1HG GLU 91 2HG GLU 91 13.432 -11.641 -15.083 677 2HG GLU 91 1HG GLU 91 14.001 -13.271 -14.726 678 H GLY 92 H GLY 92 11.966 -14.637 -10.820 679 1HA GLY 92 2HA GLY 92 12.020 -14.762 -8.381 680 2HA GLY 92 1HA GLY 92 12.568 -13.088 -8.374 681 H SER 93 H SER 93 10.286 -14.285 -7.012 682 HA SER 93 HA SER 93 7.855 -13.712 -8.264 683 1HB SER 93 2HB SER 93 6.965 -13.556 -5.898 684 2HB SER 93 1HB SER 93 7.836 -15.042 -6.278 685 HG SER 93 HG SER 93 9.428 -14.464 -4.979 686 H ARG 94 H ARG 94 7.910 -11.743 -9.332 687 HA ARG 94 HA ARG 94 8.434 -9.333 -7.784 688 1HB ARG 94 2HB ARG 94 8.401 -8.143 -9.855 689 2HB ARG 94 1HB ARG 94 9.326 -9.615 -10.108 690 1HG ARG 94 2HG ARG 94 6.639 -10.203 -10.748 691 2HG ARG 94 1HG ARG 94 7.046 -8.665 -11.520 692 1HD ARG 94 2HD ARG 94 9.010 -10.882 -11.705 693 2HD ARG 94 1HD ARG 94 7.541 -11.004 -12.669 694 HE ARG 94 HE ARG 94 8.192 -9.088 -13.873 695 1HH1 ARG 94 1HH1 ARG 94 10.597 -10.052 -11.523 696 2HH1 ARG 94 2HH1 ARG 94 11.857 -9.122 -12.255 697 1HH2 ARG 94 1HH2 ARG 94 9.855 -7.869 -14.826 698 2HH2 ARG 94 2HH2 ARG 94 11.439 -7.884 -14.126 699 H PHE 95 H PHE 95 6.922 -7.799 -7.269 700 HA PHE 95 HA PHE 95 4.122 -8.456 -7.905 701 1HB PHE 95 2HB PHE 95 4.904 -8.873 -5.485 702 2HB PHE 95 1HB PHE 95 4.953 -7.119 -5.339 703 HD1 PHE 95 1HD PHE 95 2.500 -9.184 -7.204 704 HD2 PHE 95 2HD PHE 95 3.216 -6.677 -3.834 705 HE1 PHE 95 1HE PHE 95 0.096 -9.162 -6.710 706 HE2 PHE 95 2HE PHE 95 0.809 -6.662 -3.333 707 HZ PHE 95 HZ PHE 95 -0.751 -7.898 -4.782 708 H THR 96 H THR 96 2.838 -6.823 -8.602 709 HA THR 96 HA THR 96 3.830 -4.076 -8.357 710 HB THR 96 HB THR 96 2.725 -4.809 -11.009 711 HG1 THR 96 1HG THR 96 5.361 -5.468 -10.199 712 1HG2 THR 96 1HG2 THR 96 3.320 -2.621 -11.059 713 2HG2 THR 96 2HG2 THR 96 4.837 -3.353 -11.585 714 3HG2 THR 96 3HG2 THR 96 4.641 -2.836 -9.910 715 H VAL 97 H VAL 97 2.302 -2.653 -7.898 716 HA VAL 97 HA VAL 97 -0.504 -3.337 -8.476 717 HB VAL 97 HB VAL 97 0.199 -1.835 -5.976 718 1HG1 VAL 97 1HG1 VAL 97 -2.121 -1.862 -6.752 719 2HG1 VAL 97 2HG1 VAL 97 -1.944 -2.717 -5.221 720 3HG1 VAL 97 3HG1 VAL 97 -2.103 -3.625 -6.724 721 1HG2 VAL 97 1HG2 VAL 97 -0.325 -4.413 -5.129 722 2HG2 VAL 97 2HG2 VAL 97 1.250 -3.620 -5.135 723 3HG2 VAL 97 3HG2 VAL 97 0.770 -4.637 -6.491 724 H ASN 98 H ASN 98 -1.934 -1.456 -8.619 725 HA ASN 98 HA ASN 98 -0.548 1.095 -9.025 726 1HB ASN 98 2HB ASN 98 -2.491 -0.037 -11.045 727 2HB ASN 98 1HB ASN 98 -1.561 1.457 -11.180 728 1HD2 ASN 98 1HD2 ASN 98 -1.733 -1.508 -12.372 729 2HD2 ASN 98 2HD2 ASN 98 -0.069 -1.832 -12.692 730 H ASN 99 H ASN 99 -1.598 2.761 -8.177 731 HA ASN 99 HA ASN 99 -4.501 2.746 -7.976 732 1HB ASN 99 2HB ASN 99 -3.220 3.591 -5.457 733 2HB ASN 99 1HB ASN 99 -4.691 2.657 -5.717 734 1HD2 ASN 99 1HD2 ASN 99 -1.727 2.537 -4.412 735 2HD2 ASN 99 2HD2 ASN 99 -1.435 0.837 -4.475 736 HA PRO 100 HA PRO 100 -4.319 7.079 -8.685 737 1HB PRO 100 2HB PRO 100 -5.643 8.193 -6.516 738 2HB PRO 100 1HB PRO 100 -6.422 7.545 -7.966 739 1HG PRO 100 2HG PRO 100 -6.012 6.268 -5.298 740 2HG PRO 100 1HG PRO 100 -7.409 6.175 -6.386 741 1HD PRO 100 2HD PRO 100 -5.654 4.163 -6.187 742 2HD PRO 100 1HD PRO 100 -6.404 4.580 -7.740 743 H ASN 101 H ASN 101 -3.666 6.339 -5.269 744 HA ASN 101 HA ASN 101 -2.146 8.679 -4.793 745 1HB ASN 101 2HB ASN 101 -1.974 7.928 -2.654 746 2HB ASN 101 1HB ASN 101 -3.233 6.809 -3.177 747 1HD2 ASN 101 1HD2 ASN 101 -2.108 4.854 -4.434 748 2HD2 ASN 101 2HD2 ASN 101 -0.869 4.076 -3.510 749 H ALA 102 H ALA 102 -1.370 5.564 -6.128 750 HA ALA 102 HA ALA 102 1.480 5.892 -5.871 751 1HB ALA 102 1HB ALA 102 1.681 3.764 -6.699 752 2HB ALA 102 2HB ALA 102 0.273 3.922 -7.749 753 3HB ALA 102 3HB ALA 102 0.057 3.696 -6.014 754 H THR 103 H THR 103 -0.528 5.414 -8.774 755 HA THR 103 HA THR 103 1.344 6.385 -10.593 756 HB THR 103 HB THR 103 -0.535 6.591 -12.165 757 HG1 THR 103 1HG THR 103 -2.173 6.063 -9.912 758 1HG2 THR 103 1HG2 THR 103 -0.609 4.399 -12.419 759 2HG2 THR 103 2HG2 THR 103 -1.556 4.209 -10.943 760 3HG2 THR 103 3HG2 THR 103 0.206 4.240 -10.863 761 H SER 104 H SER 104 -1.301 8.073 -8.944 762 HA SER 104 HA SER 104 -1.723 10.281 -8.599 763 1HB SER 104 2HB SER 104 0.825 10.019 -7.923 764 2HB SER 104 1HB SER 104 1.072 11.035 -9.344 765 HG SER 104 HG SER 104 0.311 12.679 -8.279 766 H THR 105 H THR 105 -1.059 12.601 -9.733 767 HA THR 105 HA THR 105 -1.630 12.178 -12.592 768 HB THR 105 HB THR 105 -2.331 14.701 -11.127 769 HG1 THR 105 1HG THR 105 -4.287 13.812 -10.556 770 1HG2 THR 105 1HG2 THR 105 -3.787 15.135 -12.821 771 2HG2 THR 105 2HG2 THR 105 -4.028 13.430 -13.204 772 3HG2 THR 105 3HG2 THR 105 -2.546 14.246 -13.703 773 H CYS 106 H CYS 106 -0.408 13.192 -14.095 774 HA CYS 106 HA CYS 106 1.786 14.887 -13.100 775 1HB CYS 106 2HB CYS 106 2.959 14.142 -15.237 776 2HB CYS 106 1HB CYS 106 2.755 12.918 -13.988 777 HG CYS 106 HG CYS 106 1.887 11.610 -15.887 778 H GLY 107 H GLY 107 -0.551 14.423 -15.711 779 1HA GLY 107 2HA GLY 107 -1.741 16.386 -16.523 780 2HA GLY 107 1HA GLY 107 -0.237 17.288 -16.357 781 H CYS 108 H CYS 108 0.151 14.136 -17.623 782 HA CYS 108 HA CYS 108 0.775 13.364 -19.667 783 1HB CYS 108 2HB CYS 108 -1.432 15.266 -20.264 784 2HB CYS 108 1HB CYS 108 -0.455 14.717 -21.622 785 HG CYS 108 HG CYS 108 -2.378 12.964 -19.971 786 H GLY 109 H GLY 109 2.934 13.950 -19.600 787 1HA GLY 109 2HA GLY 109 3.611 16.269 -21.281 788 2HA GLY 109 1HA GLY 109 4.400 16.068 -19.719 789 H SER 110 H SER 110 3.868 14.464 -22.837 790 HA SER 110 HA SER 110 5.191 13.106 -24.094 791 1HB SER 110 2HB SER 110 7.354 14.404 -22.424 792 2HB SER 110 1HB SER 110 7.671 13.367 -23.815 793 HG SER 110 HG SER 110 6.299 14.900 -25.005 794 H SER 111 H SER 111 6.427 11.117 -24.062 795 HA SER 111 HA SER 111 6.801 9.868 -21.454 796 1HB SER 111 2HB SER 111 4.598 9.259 -23.258 797 2HB SER 111 1HB SER 111 5.581 7.836 -22.916 798 HG SER 111 HG SER 111 5.281 8.251 -20.694 799 H PHE 112 H PHE 112 8.790 9.080 -21.483 800 HA PHE 112 HA PHE 112 9.677 7.482 -23.750 801 1HB PHE 112 2HB PHE 112 11.113 9.951 -22.775 802 2HB PHE 112 1HB PHE 112 11.910 8.694 -23.713 803 HD1 PHE 112 1HD PHE 112 10.680 11.815 -24.029 804 HD2 PHE 112 2HD PHE 112 10.197 7.981 -25.813 805 HE1 PHE 112 1HE PHE 112 9.906 12.883 -26.106 806 HE2 PHE 112 2HE PHE 112 9.423 9.044 -27.894 807 HZ PHE 112 HZ PHE 112 9.278 11.497 -28.043 808 H SER 113 H SER 113 11.554 8.960 -21.152 809 HA SER 113 HA SER 113 11.541 6.620 -19.506 810 1HB SER 113 2HB SER 113 13.372 6.655 -21.634 811 2HB SER 113 1HB SER 113 14.314 7.063 -20.201 812 HG SER 113 HG SER 113 13.717 4.695 -20.900 813 H ILE 114 H ILE 114 13.991 7.066 -18.234 814 HA ILE 114 HA ILE 114 13.368 8.960 -16.342 815 HB ILE 114 HB ILE 114 15.590 8.758 -15.498 816 1HG1 ILE 114 2HG1 ILE 114 16.774 9.135 -17.661 817 2HG1 ILE 114 1HG1 ILE 114 17.439 7.799 -16.729 818 1HG2 ILE 114 1HG2 ILE 114 15.744 6.422 -15.200 819 2HG2 ILE 114 2HG2 ILE 114 14.982 6.099 -16.757 820 3HG2 ILE 114 3HG2 ILE 114 14.033 6.776 -15.433 821 1HD1 ILE 114 1HD1 ILE 114 15.846 6.359 -18.210 822 2HD1 ILE 114 2HD1 ILE 114 17.397 6.916 -18.839 823 3HD1 ILE 114 3HD1 ILE 114 15.913 7.759 -19.281 Start of MODEL 2 1 1H MET 1 1HT MET 1 -22.042 -14.994 -3.453 2 2H MET 1 2HT MET 1 -22.942 -13.627 -2.943 3 3H MET 1 3HT MET 1 -22.109 -14.586 -1.790 4 HA MET 1 HA MET 1 -21.065 -12.430 -2.408 5 1HB MET 1 2HB MET 1 -19.884 -15.145 -2.326 6 2HB MET 1 1HB MET 1 -18.818 -13.860 -2.888 7 1HG MET 1 2HG MET 1 -20.378 -13.433 -0.388 8 2HG MET 1 1HG MET 1 -18.981 -14.507 -0.346 9 1HE MET 1 1HE MET 1 -19.338 -10.248 -1.564 10 2HE MET 1 2HE MET 1 -19.453 -10.356 0.194 11 3HE MET 1 3HE MET 1 -20.529 -11.313 -0.820 12 H ILE 2 H ILE 2 -18.908 -12.165 -3.936 13 HA ILE 2 HA ILE 2 -20.018 -12.116 -6.645 14 HB ILE 2 HB ILE 2 -17.470 -10.733 -6.277 15 1HG1 ILE 2 2HG1 ILE 2 -18.298 -10.325 -4.027 16 2HG1 ILE 2 1HG1 ILE 2 -18.399 -8.848 -4.984 17 1HG2 ILE 2 1HG2 ILE 2 -20.047 -10.379 -7.624 18 2HG2 ILE 2 2HG2 ILE 2 -18.417 -9.984 -8.164 19 3HG2 ILE 2 3HG2 ILE 2 -19.277 -8.882 -7.092 20 1HD1 ILE 2 1HD1 ILE 2 -20.452 -8.764 -4.046 21 2HD1 ILE 2 2HD1 ILE 2 -20.538 -10.510 -3.822 22 3HD1 ILE 2 3HD1 ILE 2 -20.861 -9.811 -5.406 23 H ASP 3 H ASP 3 -17.596 -11.786 -8.018 24 HA ASP 3 HA ASP 3 -16.030 -14.194 -7.519 25 1HB ASP 3 2HB ASP 3 -17.481 -13.714 -10.131 26 2HB ASP 3 1HB ASP 3 -16.310 -14.998 -9.837 27 H ASP 4 H ASP 4 -15.843 -11.094 -7.824 28 HA ASP 4 HA ASP 4 -13.389 -11.168 -9.437 29 1HB ASP 4 2HB ASP 4 -15.714 -9.307 -9.609 30 2HB ASP 4 1HB ASP 4 -14.103 -8.654 -9.893 31 H MET 5 H MET 5 -15.268 -9.295 -7.096 32 HA MET 5 HA MET 5 -12.985 -9.045 -5.352 33 1HB MET 5 2HB MET 5 -13.079 -6.562 -5.281 34 2HB MET 5 1HB MET 5 -12.535 -7.191 -6.827 35 1HG MET 5 2HG MET 5 -13.993 -5.698 -7.642 36 2HG MET 5 1HG MET 5 -15.157 -6.986 -7.334 37 1HE MET 5 1HE MET 5 -16.924 -6.917 -6.327 38 2HE MET 5 2HE MET 5 -17.700 -5.338 -6.214 39 3HE MET 5 3HE MET 5 -17.270 -6.214 -4.745 40 H ALA 6 H ALA 6 -14.157 -6.794 -3.866 41 HA ALA 6 HA ALA 6 -16.845 -7.478 -3.250 42 1HB ALA 6 1HB ALA 6 -14.985 -8.117 -1.013 43 2HB ALA 6 2HB ALA 6 -15.366 -9.330 -2.236 44 3HB ALA 6 3HB ALA 6 -16.654 -8.619 -1.262 45 H VAL 7 H VAL 7 -13.939 -5.649 -2.473 46 HA VAL 7 HA VAL 7 -15.682 -3.587 -1.440 47 HB VAL 7 HB VAL 7 -13.374 -3.660 0.274 48 1HG1 VAL 7 1HG1 VAL 7 -15.526 -2.473 0.611 49 2HG1 VAL 7 2HG1 VAL 7 -15.028 -3.470 1.979 50 3HG1 VAL 7 3HG1 VAL 7 -16.286 -4.041 0.881 51 1HG2 VAL 7 1HG2 VAL 7 -13.449 -6.083 -0.184 52 2HG2 VAL 7 2HG2 VAL 7 -15.128 -6.109 0.342 53 3HG2 VAL 7 3HG2 VAL 7 -13.849 -5.695 1.484 54 HA PRO 8 HA PRO 8 -11.961 -1.187 -2.759 55 1HB PRO 8 2HB PRO 8 -9.638 -1.537 -1.638 56 2HB PRO 8 1HB PRO 8 -11.053 -1.414 -0.588 57 1HG PRO 8 2HG PRO 8 -9.522 -3.846 -1.408 58 2HG PRO 8 1HG PRO 8 -10.262 -3.466 0.159 59 1HD PRO 8 2HD PRO 8 -11.401 -4.967 -2.014 60 2HD PRO 8 1HD PRO 8 -12.163 -4.547 -0.471 61 H LEU 9 H LEU 9 -8.967 -2.301 -2.860 62 HA LEU 9 HA LEU 9 -8.610 -2.304 -5.599 63 1HB LEU 9 2HB LEU 9 -6.918 -1.868 -3.819 64 2HB LEU 9 1HB LEU 9 -6.869 -3.586 -3.491 65 HG LEU 9 HG LEU 9 -5.087 -3.616 -4.840 66 1HD1 LEU 9 1HD1 LEU 9 -6.579 -4.714 -6.342 67 2HD1 LEU 9 2HD1 LEU 9 -5.484 -3.699 -7.267 68 3HD1 LEU 9 3HD1 LEU 9 -7.138 -3.172 -6.985 69 1HD2 LEU 9 1HD2 LEU 9 -4.793 -1.703 -6.604 70 2HD2 LEU 9 2HD2 LEU 9 -4.477 -1.421 -4.894 71 3HD2 LEU 9 3HD2 LEU 9 -6.000 -0.903 -5.605 72 H THR 10 H THR 10 -8.835 -3.752 -7.144 73 HA THR 10 HA THR 10 -9.288 -6.566 -6.441 74 HB THR 10 HB THR 10 -9.900 -5.011 -8.958 75 HG1 THR 10 1HG THR 10 -11.327 -4.822 -7.093 76 1HG2 THR 10 1HG2 THR 10 -9.978 -6.892 -10.102 77 2HG2 THR 10 2HG2 THR 10 -11.193 -7.512 -8.981 78 3HG2 THR 10 3HG2 THR 10 -9.477 -7.806 -8.678 79 H PHE 11 H PHE 11 -7.637 -7.924 -6.740 80 HA PHE 11 HA PHE 11 -5.311 -7.044 -8.248 81 1HB PHE 11 2HB PHE 11 -4.154 -8.858 -7.231 82 2HB PHE 11 1HB PHE 11 -5.140 -8.117 -5.980 83 HD1 PHE 11 1HD PHE 11 -4.412 -11.031 -7.881 84 HD2 PHE 11 2HD PHE 11 -7.240 -9.243 -5.279 85 HE1 PHE 11 1HE PHE 11 -5.376 -13.236 -7.447 86 HE2 PHE 11 2HE PHE 11 -8.233 -11.453 -4.825 87 HZ PHE 11 HZ PHE 11 -7.301 -13.453 -5.921 88 H THR 12 H THR 12 -4.168 -9.078 -9.380 89 HA THR 12 HA THR 12 -5.943 -9.712 -11.581 90 HB THR 12 HB THR 12 -3.497 -9.004 -11.789 91 HG1 THR 12 1HG THR 12 -3.438 -11.169 -13.322 92 1HG2 THR 12 1HG2 THR 12 -1.809 -10.688 -11.715 93 2HG2 THR 12 2HG2 THR 12 -2.986 -11.915 -11.257 94 3HG2 THR 12 3HG2 THR 12 -2.594 -10.615 -10.137 95 H ASP 13 H ASP 13 -4.853 -12.177 -12.410 96 HA ASP 13 HA ASP 13 -6.283 -13.963 -10.612 97 1HB ASP 13 2HB ASP 13 -5.088 -14.434 -13.344 98 2HB ASP 13 1HB ASP 13 -6.074 -15.592 -12.452 99 H ALA 14 H ALA 14 -3.093 -13.551 -12.020 100 HA ALA 14 HA ALA 14 -1.916 -15.880 -11.023 101 1HB ALA 14 1HB ALA 14 0.189 -14.891 -11.566 102 2HB ALA 14 2HB ALA 14 -0.496 -13.268 -11.511 103 3HB ALA 14 3HB ALA 14 -0.975 -14.379 -12.790 104 H ALA 15 H ALA 15 -2.207 -12.640 -9.577 105 HA ALA 15 HA ALA 15 -0.564 -13.019 -7.371 106 1HB ALA 15 1HB ALA 15 -1.324 -11.008 -6.772 107 2HB ALA 15 2HB ALA 15 -2.978 -11.597 -6.640 108 3HB ALA 15 3HB ALA 15 -2.355 -11.057 -8.205 109 H ALA 16 H ALA 16 -3.763 -14.172 -8.097 110 HA ALA 16 HA ALA 16 -4.363 -15.250 -5.508 111 1HB ALA 16 1HB ALA 16 -6.094 -14.760 -7.222 112 2HB ALA 16 2HB ALA 16 -6.153 -16.423 -6.645 113 3HB ALA 16 3HB ALA 16 -5.423 -16.054 -8.209 114 H ASN 17 H ASN 17 -3.058 -16.408 -8.536 115 HA ASN 17 HA ASN 17 -2.843 -19.113 -8.030 116 1HB ASN 17 2HB ASN 17 -1.269 -17.226 -9.751 117 2HB ASN 17 1HB ASN 17 -0.815 -18.915 -9.637 118 1HD2 ASN 17 1HD2 ASN 17 -3.814 -17.056 -9.987 119 2HD2 ASN 17 2HD2 ASN 17 -4.412 -17.963 -11.320 120 H LYS 18 H LYS 18 -0.374 -16.583 -7.459 121 HA LYS 18 HA LYS 18 1.593 -18.252 -6.433 122 1HB LYS 18 2HB LYS 18 2.642 -16.313 -5.571 123 2HB LYS 18 1HB LYS 18 1.815 -15.808 -7.035 124 1HG LYS 18 2HG LYS 18 0.715 -14.251 -5.917 125 2HG LYS 18 1HG LYS 18 0.058 -15.459 -4.812 126 1HD LYS 18 2HD LYS 18 2.430 -15.325 -3.723 127 2HD LYS 18 1HD LYS 18 2.497 -13.761 -4.541 128 1HE LYS 18 2HE LYS 18 0.639 -12.942 -3.346 129 2HE LYS 18 1HE LYS 18 0.190 -14.553 -2.786 130 1HZ LYS 18 1HZ LYS 18 2.270 -12.753 -1.794 131 2HZ LYS 18 2HZ LYS 18 2.571 -14.413 -1.715 132 3HZ LYS 18 3HZ LYS 18 1.218 -13.764 -0.936 133 H VAL 19 H VAL 19 -1.307 -16.996 -4.977 134 HA VAL 19 HA VAL 19 -0.603 -17.714 -2.291 135 HB VAL 19 HB VAL 19 -3.288 -17.052 -3.507 136 1HG1 VAL 19 1HG1 VAL 19 -2.516 -17.930 -0.841 137 2HG1 VAL 19 2HG1 VAL 19 -4.111 -17.838 -1.583 138 3HG1 VAL 19 3HG1 VAL 19 -3.405 -16.407 -0.831 139 1HG2 VAL 19 1HG2 VAL 19 -1.487 -15.276 -3.577 140 2HG2 VAL 19 2HG2 VAL 19 -1.568 -15.260 -1.816 141 3HG2 VAL 19 3HG2 VAL 19 -2.989 -14.835 -2.767 142 H LYS 20 H LYS 20 -3.285 -18.845 -4.316 143 HA LYS 20 HA LYS 20 -3.861 -21.166 -2.942 144 1HB LYS 20 2HB LYS 20 -4.791 -21.941 -5.186 145 2HB LYS 20 1HB LYS 20 -5.443 -20.455 -4.515 146 1HG LYS 20 2HG LYS 20 -4.939 -19.414 -6.402 147 2HG LYS 20 1HG LYS 20 -3.230 -19.736 -6.106 148 1HD LYS 20 2HD LYS 20 -4.883 -21.927 -7.247 149 2HD LYS 20 1HD LYS 20 -4.458 -20.576 -8.301 150 1HE LYS 20 2HE LYS 20 -2.086 -20.925 -7.759 151 2HE LYS 20 1HE LYS 20 -2.530 -22.294 -6.741 152 1HZ LYS 20 1HZ LYS 20 -3.511 -22.370 -9.474 153 2HZ LYS 20 2HZ LYS 20 -2.875 -23.613 -8.517 154 3HZ LYS 20 3HZ LYS 20 -1.835 -22.534 -9.296 155 H SER 21 H SER 21 -1.199 -20.540 -5.024 156 HA SER 21 HA SER 21 -0.781 -23.322 -5.642 157 1HB SER 21 2HB SER 21 -0.254 -21.652 -7.339 158 2HB SER 21 1HB SER 21 0.937 -20.919 -6.264 159 HG SER 21 HG SER 21 1.094 -23.218 -7.786 160 H LEU 22 H LEU 22 0.883 -20.860 -3.689 161 HA LEU 22 HA LEU 22 2.798 -22.823 -2.800 162 1HB LEU 22 2HB LEU 22 4.080 -21.112 -2.150 163 2HB LEU 22 1HB LEU 22 2.984 -20.149 -3.116 164 HG LEU 22 HG LEU 22 3.468 -19.084 -0.983 165 1HD1 LEU 22 1HD1 LEU 22 1.417 -18.440 -1.826 166 2HD1 LEU 22 2HD1 LEU 22 1.051 -18.913 -0.169 167 3HD1 LEU 22 3HD1 LEU 22 0.683 -20.009 -1.505 168 1HD2 LEU 22 1HD2 LEU 22 3.355 -20.056 1.037 169 2HD2 LEU 22 2HD2 LEU 22 3.480 -21.560 0.116 170 3HD2 LEU 22 3HD2 LEU 22 1.897 -20.972 0.638 171 H ILE 23 H ILE 23 -0.221 -21.534 -1.715 172 HA ILE 23 HA ILE 23 0.075 -22.321 1.002 173 HB ILE 23 HB ILE 23 -2.349 -21.991 1.148 174 1HG1 ILE 23 2HG1 ILE 23 -3.115 -20.753 -1.127 175 2HG1 ILE 23 1HG1 ILE 23 -2.045 -21.984 -1.787 176 1HG2 ILE 23 1HG2 ILE 23 -0.410 -20.011 0.232 177 2HG2 ILE 23 2HG2 ILE 23 -1.485 -19.982 1.623 178 3HG2 ILE 23 3HG2 ILE 23 -2.090 -19.530 0.027 179 1HD1 ILE 23 1HD1 ILE 23 -3.639 -23.497 -1.587 180 2HD1 ILE 23 2HD1 ILE 23 -4.730 -22.252 -0.986 181 3HD1 ILE 23 3HD1 ILE 23 -3.753 -23.186 0.145 182 H SER 24 H SER 24 -1.561 -23.668 -1.830 183 HA SER 24 HA SER 24 -2.560 -25.985 -0.633 184 1HB SER 24 2HB SER 24 -1.903 -25.154 -3.421 185 2HB SER 24 1HB SER 24 -2.160 -26.868 -3.115 186 HG SER 24 HG SER 24 -4.183 -26.172 -2.083 187 H GLU 25 H GLU 25 0.592 -25.018 -1.583 188 HA GLU 25 HA GLU 25 1.725 -27.652 -1.593 189 1HB GLU 25 2HB GLU 25 2.487 -25.239 -2.672 190 2HB GLU 25 1HB GLU 25 3.573 -25.393 -1.305 191 1HG GLU 25 2HG GLU 25 3.238 -27.733 -3.093 192 2HG GLU 25 1HG GLU 25 4.179 -26.364 -3.675 193 H GLU 26 H GLU 26 0.968 -25.227 0.723 194 HA GLU 26 HA GLU 26 2.938 -26.066 2.656 195 1HB GLU 26 2HB GLU 26 0.501 -24.335 2.970 196 2HB GLU 26 1HB GLU 26 1.754 -24.554 4.188 197 1HG GLU 26 2HG GLU 26 2.828 -23.716 1.628 198 2HG GLU 26 1HG GLU 26 1.644 -22.581 2.265 199 H GLU 27 H GLU 27 -0.125 -27.070 1.616 200 HA GLU 27 HA GLU 27 -1.312 -28.939 2.178 201 1HB GLU 27 2HB GLU 27 1.040 -29.467 3.483 202 2HB GLU 27 1HB GLU 27 -0.096 -29.411 4.825 203 1HG GLU 27 2HG GLU 27 -1.151 -30.954 2.618 204 2HG GLU 27 1HG GLU 27 0.415 -31.564 3.150 205 H ASN 28 H ASN 28 -1.327 -26.023 3.361 206 HA ASN 28 HA ASN 28 -2.669 -26.093 5.814 207 1HB ASN 28 2HB ASN 28 -3.607 -24.064 3.855 208 2HB ASN 28 1HB ASN 28 -3.121 -23.861 5.531 209 1HD2 ASN 28 1HD2 ASN 28 -2.311 -23.417 2.351 210 2HD2 ASN 28 2HD2 ASN 28 -0.660 -22.984 2.561 211 H THR 29 H THR 29 -4.227 -25.400 2.702 212 HA THR 29 HA THR 29 -6.066 -27.379 2.474 213 HB THR 29 HB THR 29 -6.951 -27.221 4.632 214 HG1 THR 29 1HG THR 29 -8.553 -26.917 2.886 215 1HG2 THR 29 1HG2 THR 29 -7.713 -24.477 4.904 216 2HG2 THR 29 2HG2 THR 29 -5.976 -24.589 4.595 217 3HG2 THR 29 3HG2 THR 29 -6.692 -25.469 5.949 218 H ASP 30 H ASP 30 -6.097 -23.832 2.781 219 HA ASP 30 HA ASP 30 -6.485 -23.207 0.117 220 1HB ASP 30 2HB ASP 30 -8.958 -24.061 1.473 221 2HB ASP 30 1HB ASP 30 -9.074 -22.477 0.698 222 H LEU 31 H LEU 31 -4.941 -21.986 1.462 223 HA LEU 31 HA LEU 31 -5.626 -20.155 3.393 224 1HB LEU 31 2HB LEU 31 -3.388 -20.878 1.862 225 2HB LEU 31 1HB LEU 31 -3.483 -19.141 1.830 226 HG LEU 31 HG LEU 31 -2.084 -19.755 3.655 227 1HD1 LEU 31 1HD1 LEU 31 -3.169 -18.680 5.437 228 2HD1 LEU 31 2HD1 LEU 31 -4.756 -19.229 4.901 229 3HD1 LEU 31 3HD1 LEU 31 -3.888 -18.009 3.978 230 1HD2 LEU 31 1HD2 LEU 31 -2.297 -21.658 4.770 231 2HD2 LEU 31 2HD2 LEU 31 -3.691 -22.054 3.741 232 3HD2 LEU 31 3HD2 LEU 31 -3.925 -21.236 5.291 233 H LYS 32 H LYS 32 -5.777 -17.950 3.407 234 HA LYS 32 HA LYS 32 -6.867 -16.739 0.957 235 1HB LYS 32 2HB LYS 32 -7.505 -15.738 3.716 236 2HB LYS 32 1HB LYS 32 -8.423 -15.539 2.232 237 1HG LYS 32 2HG LYS 32 -9.320 -17.684 2.350 238 2HG LYS 32 1HG LYS 32 -8.084 -18.239 3.479 239 1HD LYS 32 2HD LYS 32 -10.251 -17.911 4.580 240 2HD LYS 32 1HD LYS 32 -9.015 -16.834 5.229 241 1HE LYS 32 2HE LYS 32 -9.879 -15.057 3.691 242 2HE LYS 32 1HE LYS 32 -11.204 -16.142 3.281 243 1HZ LYS 32 1HZ LYS 32 -11.556 -14.408 5.119 244 2HZ LYS 32 2HZ LYS 32 -10.641 -15.444 6.093 245 3HZ LYS 32 3HZ LYS 32 -12.085 -15.990 5.407 246 H LEU 33 H LEU 33 -5.636 -15.143 0.156 247 HA LEU 33 HA LEU 33 -3.254 -14.318 1.328 248 1HB LEU 33 2HB LEU 33 -4.058 -14.193 -1.109 249 2HB LEU 33 1HB LEU 33 -4.816 -12.686 -0.644 250 HG LEU 33 HG LEU 33 -2.574 -12.510 -1.780 251 1HD1 LEU 33 1HD1 LEU 33 -3.562 -11.131 0.568 252 2HD1 LEU 33 2HD1 LEU 33 -2.870 -10.493 -0.914 253 3HD1 LEU 33 3HD1 LEU 33 -1.813 -11.003 0.396 254 1HD2 LEU 33 1HD2 LEU 33 -0.750 -13.471 -0.954 255 2HD2 LEU 33 2HD2 LEU 33 -1.810 -14.370 0.128 256 3HD2 LEU 33 3HD2 LEU 33 -1.076 -12.861 0.668 257 H ARG 34 H ARG 34 -2.643 -12.494 2.448 258 HA ARG 34 HA ARG 34 -4.759 -10.661 3.311 259 1HB ARG 34 2HB ARG 34 -4.441 -12.344 5.086 260 2HB ARG 34 1HB ARG 34 -2.742 -11.919 5.170 261 1HG ARG 34 2HG ARG 34 -4.136 -9.511 5.461 262 2HG ARG 34 1HG ARG 34 -4.994 -10.691 6.452 263 1HD ARG 34 2HD ARG 34 -3.376 -10.706 7.975 264 2HD ARG 34 1HD ARG 34 -2.128 -10.939 6.754 265 HE ARG 34 HE ARG 34 -2.703 -8.329 6.495 266 1HH1 ARG 34 1HH1 ARG 34 -1.970 -10.287 9.290 267 2HH1 ARG 34 2HH1 ARG 34 -1.249 -8.981 10.170 268 1HH2 ARG 34 1HH2 ARG 34 -1.755 -6.614 7.651 269 2HH2 ARG 34 2HH2 ARG 34 -1.131 -6.893 9.234 270 H VAL 35 H VAL 35 -3.991 -9.077 2.006 271 HA VAL 35 HA VAL 35 -1.264 -8.374 1.761 272 HB VAL 35 HB VAL 35 -3.617 -6.605 1.164 273 1HG1 VAL 35 1HG1 VAL 35 -0.788 -6.725 0.146 274 2HG1 VAL 35 2HG1 VAL 35 -1.575 -5.401 1.005 275 3HG1 VAL 35 3HG1 VAL 35 -2.064 -5.796 -0.643 276 1HG2 VAL 35 1HG2 VAL 35 -4.063 -8.697 0.112 277 2HG2 VAL 35 2HG2 VAL 35 -2.403 -8.809 -0.473 278 3HG2 VAL 35 3HG2 VAL 35 -3.487 -7.580 -1.126 279 H TYR 36 H TYR 36 -0.231 -6.485 2.325 280 HA TYR 36 HA TYR 36 -1.320 -4.841 4.470 281 1HB TYR 36 2HB TYR 36 1.218 -5.095 5.395 282 2HB TYR 36 1HB TYR 36 -0.137 -6.042 5.998 283 HD1 TYR 36 1HD TYR 36 3.121 -6.199 4.687 284 HD2 TYR 36 2HD TYR 36 -0.583 -8.287 4.705 285 HE1 TYR 36 1HE TYR 36 4.294 -8.264 4.053 286 HE2 TYR 36 2HE TYR 36 0.576 -10.361 4.072 287 HH TYR 36 HH TYR 36 3.458 -10.532 2.762 288 H ILE 37 H ILE 37 0.555 -3.082 4.949 289 HA ILE 37 HA ILE 37 0.981 -1.863 2.365 290 HB ILE 37 HB ILE 37 1.373 -0.908 5.186 291 1HG1 ILE 37 2HG1 ILE 37 -0.889 -0.826 4.313 292 2HG1 ILE 37 1HG1 ILE 37 -0.253 0.815 4.434 293 1HG2 ILE 37 1HG2 ILE 37 2.585 0.168 2.711 294 2HG2 ILE 37 2HG2 ILE 37 3.145 0.259 4.382 295 3HG2 ILE 37 3HG2 ILE 37 1.860 1.333 3.821 296 1HD1 ILE 37 1HD1 ILE 37 -1.204 0.917 2.382 297 2HD1 ILE 37 2HD1 ILE 37 -0.935 -0.791 2.043 298 3HD1 ILE 37 3HD1 ILE 37 0.401 0.353 1.920 299 H THR 38 H THR 38 2.721 -2.118 1.179 300 HA THR 38 HA THR 38 5.361 -2.117 2.325 301 HB THR 38 HB THR 38 4.661 -4.532 0.682 302 HG1 THR 38 1HG THR 38 4.529 -5.636 2.735 303 1HG2 THR 38 1HG2 THR 38 6.974 -3.621 2.245 304 2HG2 THR 38 2HG2 THR 38 6.895 -4.638 0.807 305 3HG2 THR 38 3HG2 THR 38 6.554 -5.328 2.395 306 H GLY 39 H GLY 39 3.970 -0.436 0.524 307 1HA GLY 39 2HA GLY 39 4.532 -0.925 -2.183 308 2HA GLY 39 1HA GLY 39 4.253 0.657 -1.467 309 H GLY 40 H GLY 40 5.814 1.789 -2.524 310 1HA GLY 40 2HA GLY 40 8.561 0.784 -2.473 311 2HA GLY 40 1HA GLY 40 7.972 2.157 -3.405 312 H GLY 41 H GLY 41 7.153 1.840 -0.037 313 1HA GLY 41 2HA GLY 41 8.115 2.838 1.848 314 2HA GLY 41 1HA GLY 41 9.333 3.568 0.812 315 H CYS 42 H CYS 42 8.595 5.372 -0.584 316 HA CYS 42 HA CYS 42 7.110 7.252 0.986 317 1HB CYS 42 2HB CYS 42 7.564 8.809 -0.891 318 2HB CYS 42 1HB CYS 42 9.019 8.014 -0.300 319 HG CYS 42 HG CYS 42 8.997 7.997 -2.918 320 H SER 43 H SER 43 6.433 5.199 -1.747 321 HA SER 43 HA SER 43 3.725 6.353 -1.903 322 1HB SER 43 2HB SER 43 5.135 6.587 -3.973 323 2HB SER 43 1HB SER 43 5.152 4.829 -4.093 324 HG SER 43 HG SER 43 3.175 6.608 -4.726 325 H GLY 44 H GLY 44 2.459 4.397 -3.331 326 1HA GLY 44 2HA GLY 44 2.838 1.885 -1.877 327 2HA GLY 44 1HA GLY 44 1.293 2.702 -1.703 328 H PHE 45 H PHE 45 3.215 0.655 -3.658 329 HA PHE 45 HA PHE 45 0.967 0.348 -5.502 330 1HB PHE 45 2HB PHE 45 2.323 0.464 -7.471 331 2HB PHE 45 1HB PHE 45 2.650 1.917 -6.520 332 HD1 PHE 45 1HD PHE 45 4.614 1.405 -4.678 333 HD2 PHE 45 2HD PHE 45 4.159 -0.433 -8.486 334 HE1 PHE 45 1HE PHE 45 7.005 0.860 -4.691 335 HE2 PHE 45 2HE PHE 45 6.557 -0.978 -8.515 336 HZ PHE 45 HZ PHE 45 7.988 -0.331 -6.614 337 H GLN 46 H GLN 46 2.976 -1.158 -3.400 338 HA GLN 46 HA GLN 46 2.967 -3.641 -4.985 339 1HB GLN 46 2HB GLN 46 4.897 -2.652 -2.911 340 2HB GLN 46 1HB GLN 46 4.783 -4.358 -3.320 341 1HG GLN 46 2HG GLN 46 5.380 -3.922 -5.590 342 2HG GLN 46 1HG GLN 46 5.305 -2.181 -5.319 343 1HE2 GLN 46 1HE2 GLN 46 6.741 -1.419 -3.501 344 2HE2 GLN 46 2HE2 GLN 46 8.345 -2.074 -3.451 345 H TYR 47 H TYR 47 3.293 -2.961 -1.510 346 HA TYR 47 HA TYR 47 2.047 -3.636 0.279 347 1HB TYR 47 2HB TYR 47 0.026 -4.794 -1.638 348 2HB TYR 47 1HB TYR 47 -0.228 -4.291 0.029 349 HD1 TYR 47 1HD TYR 47 -0.217 -3.257 -3.416 350 HD2 TYR 47 2HD TYR 47 -0.096 -1.845 0.594 351 HE1 TYR 47 1HE TYR 47 -0.890 -1.020 -4.189 352 HE2 TYR 47 2HE TYR 47 -0.770 0.393 -0.165 353 HH TYR 47 HH TYR 47 -2.203 1.131 -2.673 354 H GLY 48 H GLY 48 2.802 -5.231 1.442 355 1HA GLY 48 2HA GLY 48 3.815 -7.630 0.300 356 2HA GLY 48 1HA GLY 48 3.709 -7.268 2.013 357 H PHE 49 H PHE 49 2.932 -9.547 0.006 358 HA PHE 49 HA PHE 49 0.196 -9.985 0.952 359 1HB PHE 49 2HB PHE 49 1.775 -10.935 -1.392 360 2HB PHE 49 1HB PHE 49 0.443 -11.926 -0.809 361 HD1 PHE 49 1HD PHE 49 0.632 -8.242 -0.820 362 HD2 PHE 49 2HD PHE 49 -1.076 -11.718 -2.563 363 HE1 PHE 49 1HE PHE 49 -0.951 -6.832 -2.049 364 HE2 PHE 49 2HE PHE 49 -2.682 -10.323 -3.792 365 HZ PHE 49 HZ PHE 49 -2.618 -7.871 -3.544 366 H THR 50 H THR 50 -0.330 -11.576 2.288 367 HA THR 50 HA THR 50 1.627 -13.708 2.825 368 HB THR 50 HB THR 50 1.574 -11.912 4.643 369 HG1 THR 50 1HG THR 50 2.332 -14.049 5.005 370 1HG2 THR 50 1HG2 THR 50 -0.194 -11.652 6.054 371 2HG2 THR 50 2HG2 THR 50 -0.872 -13.241 5.678 372 3HG2 THR 50 3HG2 THR 50 -1.035 -11.917 4.532 373 H PHE 51 H PHE 51 0.562 -15.643 3.858 374 HA PHE 51 HA PHE 51 -2.125 -15.951 2.740 375 1HB PHE 51 2HB PHE 51 -0.281 -18.220 3.463 376 2HB PHE 51 1HB PHE 51 -1.620 -18.211 2.317 377 HD1 PHE 51 1HD PHE 51 1.894 -17.772 2.740 378 HD2 PHE 51 2HD PHE 51 -1.400 -16.750 0.250 379 HE1 PHE 51 1HE PHE 51 3.454 -17.124 0.952 380 HE2 PHE 51 2HE PHE 51 0.152 -16.100 -1.546 381 HZ PHE 51 HZ PHE 51 2.586 -16.287 -1.195 382 H ASP 52 H ASP 52 -3.424 -15.344 4.304 383 HA ASP 52 HA ASP 52 -3.213 -16.685 6.916 384 1HB ASP 52 2HB ASP 52 -2.808 -14.369 7.253 385 2HB ASP 52 1HB ASP 52 -4.130 -13.911 6.186 386 H GLU 53 H GLU 53 -4.609 -18.301 6.901 387 HA GLU 53 HA GLU 53 -7.095 -18.215 5.467 388 1HB GLU 53 2HB GLU 53 -5.409 -20.212 6.468 389 2HB GLU 53 1HB GLU 53 -6.918 -20.393 7.352 390 1HG GLU 53 2HG GLU 53 -7.387 -19.982 4.541 391 2HG GLU 53 1HG GLU 53 -6.319 -21.349 4.814 392 H LYS 54 H LYS 54 -6.123 -17.575 8.740 393 HA LYS 54 HA LYS 54 -8.496 -18.113 10.067 394 1HB LYS 54 2HB LYS 54 -7.600 -15.936 11.457 395 2HB LYS 54 1HB LYS 54 -7.061 -17.583 11.708 396 1HG LYS 54 2HG LYS 54 -5.637 -16.066 9.638 397 2HG LYS 54 1HG LYS 54 -5.406 -15.530 11.298 398 1HD LYS 54 2HD LYS 54 -5.012 -18.355 10.311 399 2HD LYS 54 1HD LYS 54 -3.721 -17.184 10.576 400 1HE LYS 54 2HE LYS 54 -3.614 -17.915 12.678 401 2HE LYS 54 1HE LYS 54 -5.199 -17.191 12.944 402 1HZ LYS 54 1HZ LYS 54 -4.848 -19.934 11.881 403 2HZ LYS 54 2HZ LYS 54 -6.255 -19.227 12.479 404 3HZ LYS 54 3HZ LYS 54 -4.989 -19.602 13.534 405 H VAL 55 H VAL 55 -7.794 -14.714 10.149 406 HA VAL 55 HA VAL 55 -9.842 -13.916 8.330 407 HB VAL 55 HB VAL 55 -10.642 -12.947 10.973 408 1HG1 VAL 55 1HG1 VAL 55 -11.698 -12.875 8.528 409 2HG1 VAL 55 2HG1 VAL 55 -12.660 -12.751 10.004 410 3HG1 VAL 55 3HG1 VAL 55 -12.529 -14.296 9.161 411 1HG2 VAL 55 1HG2 VAL 55 -11.780 -14.906 11.724 412 2HG2 VAL 55 2HG2 VAL 55 -10.075 -15.314 11.501 413 3HG2 VAL 55 3HG2 VAL 55 -11.270 -15.808 10.301 414 H ASN 56 H ASN 56 -8.725 -12.735 11.450 415 HA ASN 56 HA ASN 56 -7.338 -11.005 12.022 416 1HB ASN 56 2HB ASN 56 -7.320 -10.049 9.162 417 2HB ASN 56 1HB ASN 56 -6.151 -9.714 10.426 418 1HD2 ASN 56 1HD2 ASN 56 -6.053 -12.455 11.364 419 2HD2 ASN 56 2HD2 ASN 56 -5.165 -13.348 10.175 420 H ASP 57 H ASP 57 -9.199 -10.334 13.134 421 HA ASP 57 HA ASP 57 -11.389 -8.984 12.185 422 1HB ASP 57 2HB ASP 57 -9.967 -8.270 14.755 423 2HB ASP 57 1HB ASP 57 -11.676 -8.065 14.391 424 H GLY 58 H GLY 58 -11.808 -7.014 11.395 425 1HA GLY 58 2HA GLY 58 -11.497 -4.782 10.835 426 2HA GLY 58 1HA GLY 58 -10.029 -4.782 11.810 427 H ASP 59 H ASP 59 -10.876 -6.996 9.222 428 HA ASP 59 HA ASP 59 -8.842 -5.821 7.473 429 1HB ASP 59 2HB ASP 59 -7.893 -7.782 8.830 430 2HB ASP 59 1HB ASP 59 -9.032 -8.803 7.955 431 H LEU 60 H LEU 60 -9.999 -5.278 5.688 432 HA LEU 60 HA LEU 60 -12.441 -6.484 4.981 433 1HB LEU 60 2HB LEU 60 -10.671 -5.054 3.024 434 2HB LEU 60 1HB LEU 60 -12.416 -5.173 3.017 435 HG LEU 60 HG LEU 60 -10.651 -3.370 4.597 436 1HD1 LEU 60 1HD1 LEU 60 -11.640 -2.352 2.745 437 2HD1 LEU 60 2HD1 LEU 60 -12.657 -1.866 4.101 438 3HD1 LEU 60 3HD1 LEU 60 -13.189 -3.151 3.017 439 1HD2 LEU 60 1HD2 LEU 60 -12.784 -2.915 5.999 440 2HD2 LEU 60 2HD2 LEU 60 -11.717 -4.242 6.459 441 3HD2 LEU 60 3HD2 LEU 60 -13.208 -4.575 5.577 442 H THR 61 H THR 61 -12.929 -7.785 3.062 443 HA THR 61 HA THR 61 -10.664 -9.409 2.160 444 HB THR 61 HB THR 61 -11.453 -11.365 2.951 445 HG1 THR 61 1HG THR 61 -13.512 -12.024 2.727 446 1HG2 THR 61 1HG2 THR 61 -12.447 -11.294 5.039 447 2HG2 THR 61 2HG2 THR 61 -13.375 -9.843 4.656 448 3HG2 THR 61 3HG2 THR 61 -11.632 -9.735 4.905 449 H ILE 62 H ILE 62 -10.597 -9.788 0.070 450 HA ILE 62 HA ILE 62 -13.043 -9.516 -1.530 451 HB ILE 62 HB ILE 62 -11.288 -8.784 -3.356 452 1HG1 ILE 62 2HG1 ILE 62 -9.396 -8.961 -1.671 453 2HG1 ILE 62 1HG1 ILE 62 -9.479 -7.469 -2.588 454 1HG2 ILE 62 1HG2 ILE 62 -12.083 -6.651 -1.439 455 2HG2 ILE 62 2HG2 ILE 62 -13.321 -7.603 -2.249 456 3HG2 ILE 62 3HG2 ILE 62 -12.164 -6.670 -3.199 457 1HD1 ILE 62 1HD1 ILE 62 -9.062 -6.669 -0.497 458 2HD1 ILE 62 2HD1 ILE 62 -9.975 -7.947 0.303 459 3HD1 ILE 62 3HD1 ILE 62 -10.824 -6.630 -0.502 460 H GLU 63 H GLU 63 -13.322 -11.767 -1.664 461 HA GLU 63 HA GLU 63 -11.321 -13.637 -2.220 462 1HB GLU 63 2HB GLU 63 -13.688 -14.068 -1.421 463 2HB GLU 63 1HB GLU 63 -14.183 -13.899 -3.098 464 1HG GLU 63 2HG GLU 63 -12.619 -15.746 -3.671 465 2HG GLU 63 1HG GLU 63 -12.341 -15.973 -1.946 466 H LYS 64 H LYS 64 -10.933 -14.877 -4.189 467 HA LYS 64 HA LYS 64 -11.842 -13.862 -6.696 468 1HB LYS 64 2HB LYS 64 -9.479 -12.706 -5.523 469 2HB LYS 64 1HB LYS 64 -9.093 -13.482 -7.054 470 1HG LYS 64 2HG LYS 64 -11.265 -12.180 -7.837 471 2HG LYS 64 1HG LYS 64 -10.829 -11.138 -6.487 472 1HD LYS 64 2HD LYS 64 -9.897 -10.356 -8.628 473 2HD LYS 64 1HD LYS 64 -8.644 -10.736 -7.451 474 1HE LYS 64 2HE LYS 64 -8.048 -11.556 -9.663 475 2HE LYS 64 1HE LYS 64 -8.273 -12.898 -8.545 476 1HZ LYS 64 1HZ LYS 64 -9.615 -13.727 -10.098 477 2HZ LYS 64 2HZ LYS 64 -9.692 -12.271 -10.953 478 3HZ LYS 64 3HZ LYS 64 -10.737 -12.541 -9.653 479 H SER 65 H SER 65 -9.785 -14.605 -8.335 480 HA SER 65 HA SER 65 -9.845 -16.677 -9.546 481 1HB SER 65 2HB SER 65 -7.569 -15.485 -8.646 482 2HB SER 65 1HB SER 65 -7.331 -17.154 -8.129 483 HG SER 65 HG SER 65 -7.971 -17.673 -10.388 484 H GLY 66 H GLY 66 -8.329 -17.546 -6.436 485 1HA GLY 66 2HA GLY 66 -10.168 -19.810 -6.232 486 2HA GLY 66 1HA GLY 66 -8.469 -20.187 -6.464 487 H VAL 67 H VAL 67 -9.259 -17.413 -4.558 488 HA VAL 67 HA VAL 67 -9.278 -18.850 -2.052 489 HB VAL 67 HB VAL 67 -7.276 -17.931 -1.124 490 1HG1 VAL 67 1HG1 VAL 67 -7.047 -19.988 -2.460 491 2HG1 VAL 67 2HG1 VAL 67 -5.566 -19.033 -2.399 492 3HG1 VAL 67 3HG1 VAL 67 -6.579 -19.003 -3.846 493 1HG2 VAL 67 1HG2 VAL 67 -7.567 -15.913 -2.995 494 2HG2 VAL 67 2HG2 VAL 67 -6.107 -16.756 -3.507 495 3HG2 VAL 67 3HG2 VAL 67 -6.223 -16.113 -1.869 496 H GLN 68 H GLN 68 -8.620 -16.825 -0.345 497 HA GLN 68 HA GLN 68 -10.558 -14.726 -1.040 498 1HB GLN 68 2HB GLN 68 -10.358 -16.396 1.294 499 2HB GLN 68 1HB GLN 68 -10.161 -14.709 1.751 500 1HG GLN 68 2HG GLN 68 -12.388 -15.418 -0.076 501 2HG GLN 68 1HG GLN 68 -12.524 -15.844 1.629 502 1HE2 GLN 68 1HE2 GLN 68 -11.015 -13.041 0.126 503 2HE2 GLN 68 2HE2 GLN 68 -12.021 -11.866 0.886 504 H LEU 69 H LEU 69 -9.703 -12.797 -1.358 505 HA LEU 69 HA LEU 69 -6.983 -12.299 -0.411 506 1HB LEU 69 2HB LEU 69 -8.335 -11.729 -2.794 507 2HB LEU 69 1HB LEU 69 -8.102 -10.180 -2.009 508 HG LEU 69 HG LEU 69 -6.251 -10.584 -3.484 509 1HD1 LEU 69 1HD1 LEU 69 -5.719 -9.437 -1.431 510 2HD1 LEU 69 2HD1 LEU 69 -4.384 -10.490 -1.894 511 3HD1 LEU 69 3HD1 LEU 69 -5.482 -10.977 -0.601 512 1HD2 LEU 69 1HD2 LEU 69 -4.727 -12.543 -2.978 513 2HD2 LEU 69 2HD2 LEU 69 -6.262 -12.927 -3.758 514 3HD2 LEU 69 3HD2 LEU 69 -6.059 -13.202 -2.028 515 H VAL 70 H VAL 70 -7.050 -11.590 1.650 516 HA VAL 70 HA VAL 70 -8.890 -9.396 2.271 517 HB VAL 70 HB VAL 70 -8.945 -10.037 4.477 518 1HG1 VAL 70 1HG1 VAL 70 -9.578 -11.923 2.777 519 2HG1 VAL 70 2HG1 VAL 70 -9.566 -12.244 4.511 520 3HG1 VAL 70 3HG1 VAL 70 -8.206 -12.754 3.509 521 1HG2 VAL 70 1HG2 VAL 70 -7.228 -11.352 5.632 522 2HG2 VAL 70 2HG2 VAL 70 -6.543 -9.895 4.912 523 3HG2 VAL 70 3HG2 VAL 70 -6.306 -11.460 4.134 524 H ILE 71 H ILE 71 -8.100 -7.570 3.456 525 HA ILE 71 HA ILE 71 -5.215 -7.246 3.557 526 HB ILE 71 HB ILE 71 -5.035 -5.353 2.192 527 1HG1 ILE 71 2HG1 ILE 71 -7.030 -4.156 2.945 528 2HG1 ILE 71 1HG1 ILE 71 -6.945 -4.182 1.187 529 1HG2 ILE 71 1HG2 ILE 71 -5.350 -7.537 1.001 530 2HG2 ILE 71 2HG2 ILE 71 -5.686 -6.101 0.035 531 3HG2 ILE 71 3HG2 ILE 71 -7.016 -7.050 0.697 532 1HD1 ILE 71 1HD1 ILE 71 -9.153 -4.663 1.548 533 2HD1 ILE 71 2HD1 ILE 71 -8.822 -5.587 3.014 534 3HD1 ILE 71 3HD1 ILE 71 -8.465 -6.284 1.434 535 H ASP 72 H ASP 72 -4.571 -5.235 4.658 536 HA ASP 72 HA ASP 72 -6.317 -4.799 6.936 537 1HB ASP 72 2HB ASP 72 -3.962 -5.214 7.349 538 2HB ASP 72 1HB ASP 72 -3.519 -3.844 6.333 539 HA PRO 73 HA PRO 73 -8.333 -1.027 5.853 540 1HB PRO 73 2HB PRO 73 -7.319 -0.137 8.524 541 2HB PRO 73 1HB PRO 73 -8.941 0.009 7.833 542 1HG PRO 73 2HG PRO 73 -8.411 -1.880 9.624 543 2HG PRO 73 1HG PRO 73 -9.453 -2.221 8.230 544 1HD PRO 73 2HD PRO 73 -6.651 -3.063 8.749 545 2HD PRO 73 1HD PRO 73 -7.930 -3.889 7.840 546 H MET 74 H MET 74 -5.142 -0.704 7.409 547 HA MET 74 HA MET 74 -4.581 1.886 6.624 548 1HB MET 74 2HB MET 74 -2.953 1.218 8.053 549 2HB MET 74 1HB MET 74 -3.036 -0.452 7.522 550 1HG MET 74 2HG MET 74 -1.366 -0.209 6.043 551 2HG MET 74 1HG MET 74 -1.801 1.449 5.630 552 1HE MET 74 1HE MET 74 -0.071 2.607 5.497 553 2HE MET 74 2HE MET 74 1.398 2.616 6.472 554 3HE MET 74 3HE MET 74 0.032 3.636 6.926 555 H SER 75 H SER 75 -4.134 -1.151 4.910 556 HA SER 75 HA SER 75 -2.998 0.099 2.594 557 1HB SER 75 2HB SER 75 -2.827 -2.402 3.415 558 2HB SER 75 1HB SER 75 -4.313 -2.592 2.485 559 HG SER 75 HG SER 75 -2.204 -2.932 1.374 560 H LEU 76 H LEU 76 -6.186 -0.817 3.712 561 HA LEU 76 HA LEU 76 -7.710 -0.868 1.470 562 1HB LEU 76 2HB LEU 76 -9.086 -1.198 3.189 563 2HB LEU 76 1HB LEU 76 -8.156 -0.174 4.253 564 HG LEU 76 HG LEU 76 -10.015 0.998 2.201 565 1HD1 LEU 76 1HD1 LEU 76 -11.407 -0.454 3.452 566 2HD1 LEU 76 2HD1 LEU 76 -11.630 1.164 4.121 567 3HD1 LEU 76 3HD1 LEU 76 -10.609 -0.006 4.958 568 1HD2 LEU 76 1HD2 LEU 76 -9.978 2.540 4.488 569 2HD2 LEU 76 2HD2 LEU 76 -9.061 2.850 3.014 570 3HD2 LEU 76 3HD2 LEU 76 -8.319 1.966 4.347 571 H GLN 77 H GLN 77 -6.637 2.077 3.127 572 HA GLN 77 HA GLN 77 -7.919 3.738 1.190 573 1HB GLN 77 2HB GLN 77 -7.649 5.397 2.655 574 2HB GLN 77 1HB GLN 77 -7.129 4.147 3.768 575 1HG GLN 77 2HG GLN 77 -4.895 5.030 2.198 576 2HG GLN 77 1HG GLN 77 -5.714 6.412 2.922 577 1HE2 GLN 77 1HE2 GLN 77 -5.306 3.104 4.063 578 2HE2 GLN 77 2HE2 GLN 77 -4.476 3.518 5.516 579 H TYR 78 H TYR 78 -4.885 2.166 1.415 580 HA TYR 78 HA TYR 78 -3.542 3.969 -0.394 581 1HB TYR 78 2HB TYR 78 -2.780 1.337 0.855 582 2HB TYR 78 1HB TYR 78 -1.777 2.115 -0.367 583 HD1 TYR 78 1HD TYR 78 0.093 3.056 0.577 584 HD2 TYR 78 2HD TYR 78 -3.605 3.347 2.657 585 HE1 TYR 78 1HE TYR 78 1.196 4.365 2.340 586 HE2 TYR 78 2HE TYR 78 -2.512 4.652 4.430 587 HH TYR 78 HH TYR 78 0.902 4.974 4.641 588 H LEU 79 H LEU 79 -5.026 0.777 -0.501 589 HA LEU 79 HA LEU 79 -4.379 0.509 -3.316 590 1HB LEU 79 2HB LEU 79 -5.143 -1.748 -3.196 591 2HB LEU 79 1HB LEU 79 -4.049 -1.411 -1.883 592 HG LEU 79 HG LEU 79 -6.379 -2.793 -1.671 593 1HD1 LEU 79 1HD1 LEU 79 -5.051 -3.152 0.088 594 2HD1 LEU 79 2HD1 LEU 79 -6.063 -1.929 0.859 595 3HD1 LEU 79 3HD1 LEU 79 -4.510 -1.473 0.155 596 1HD2 LEU 79 1HD2 LEU 79 -7.928 -1.452 -0.338 597 2HD2 LEU 79 2HD2 LEU 79 -7.805 -0.856 -1.990 598 3HD2 LEU 79 3HD2 LEU 79 -6.972 -0.016 -0.683 599 H ILE 80 H ILE 80 -7.004 1.654 -1.525 600 HA ILE 80 HA ILE 80 -9.354 1.137 -2.354 601 HB ILE 80 HB ILE 80 -10.039 3.400 -2.668 602 1HG1 ILE 80 2HG1 ILE 80 -8.443 4.102 -4.356 603 2HG1 ILE 80 1HG1 ILE 80 -8.404 5.231 -3.003 604 1HG2 ILE 80 1HG2 ILE 80 -9.395 2.848 -0.422 605 2HG2 ILE 80 2HG2 ILE 80 -8.933 4.515 -0.772 606 3HG2 ILE 80 3HG2 ILE 80 -7.713 3.243 -0.778 607 1HD1 ILE 80 1HD1 ILE 80 -6.402 4.047 -2.156 608 2HD1 ILE 80 2HD1 ILE 80 -6.170 4.805 -3.732 609 3HD1 ILE 80 3HD1 ILE 80 -6.420 3.065 -3.615 610 H GLY 81 H GLY 81 -10.386 0.411 -3.983 611 1HA GLY 81 2HA GLY 81 -10.735 -0.405 -6.117 612 2HA GLY 81 1HA GLY 81 -10.998 1.313 -6.375 613 H GLY 82 H GLY 82 -7.820 -0.130 -5.768 614 1HA GLY 82 2HA GLY 82 -6.936 0.943 -8.334 615 2HA GLY 82 1HA GLY 82 -5.903 0.267 -7.078 616 H THR 83 H THR 83 -4.777 -1.056 -8.559 617 HA THR 83 HA THR 83 -6.164 -3.536 -9.162 618 HB THR 83 HB THR 83 -4.929 -1.790 -11.291 619 HG1 THR 83 1HG THR 83 -7.461 -3.024 -10.987 620 1HG2 THR 83 1HG2 THR 83 -4.203 -3.592 -12.352 621 2HG2 THR 83 2HG2 THR 83 -5.892 -4.065 -12.540 622 3HG2 THR 83 3HG2 THR 83 -4.951 -4.672 -11.176 623 H VAL 84 H VAL 84 -4.855 -5.278 -8.926 624 HA VAL 84 HA VAL 84 -1.956 -4.773 -8.815 625 HB VAL 84 HB VAL 84 -1.853 -5.366 -6.689 626 1HG1 VAL 84 1HG1 VAL 84 -4.071 -4.529 -6.341 627 2HG1 VAL 84 2HG1 VAL 84 -3.805 -5.947 -5.333 628 3HG1 VAL 84 3HG1 VAL 84 -4.767 -6.081 -6.802 629 1HG2 VAL 84 1HG2 VAL 84 -2.503 -7.731 -6.007 630 2HG2 VAL 84 2HG2 VAL 84 -1.277 -7.546 -7.259 631 3HG2 VAL 84 3HG2 VAL 84 -2.928 -7.967 -7.702 632 H ASP 85 H ASP 85 -0.589 -6.532 -9.318 633 HA ASP 85 HA ASP 85 -1.765 -8.930 -10.409 634 1HB ASP 85 2HB ASP 85 -0.311 -8.563 -12.555 635 2HB ASP 85 1HB ASP 85 -1.911 -7.829 -12.440 636 H TYR 86 H TYR 86 -0.337 -10.653 -10.517 637 HA TYR 86 HA TYR 86 2.336 -10.123 -9.401 638 1HB TYR 86 2HB TYR 86 0.271 -11.678 -8.361 639 2HB TYR 86 1HB TYR 86 1.401 -12.843 -9.034 640 HD1 TYR 86 1HD TYR 86 3.991 -12.044 -8.455 641 HD2 TYR 86 2HD TYR 86 0.512 -11.321 -6.125 642 HE1 TYR 86 1HE TYR 86 5.392 -11.853 -6.442 643 HE2 TYR 86 2HE TYR 86 1.894 -11.120 -4.103 644 HH TYR 86 HH TYR 86 4.068 -11.797 -3.284 645 H THR 87 H THR 87 4.075 -11.227 -10.236 646 HA THR 87 HA THR 87 3.670 -13.140 -12.374 647 HB THR 87 HB THR 87 5.140 -10.542 -12.809 648 HG1 THR 87 1HG THR 87 2.993 -10.248 -13.175 649 1HG2 THR 87 1HG2 THR 87 5.898 -11.251 -14.858 650 2HG2 THR 87 2HG2 THR 87 4.742 -12.574 -14.941 651 3HG2 THR 87 3HG2 THR 87 6.134 -12.680 -13.861 652 H GLU 88 H GLU 88 4.655 -14.616 -11.006 653 HA GLU 88 HA GLU 88 7.416 -14.070 -10.194 654 1HB GLU 88 2HB GLU 88 5.781 -16.484 -9.436 655 2HB GLU 88 1HB GLU 88 7.208 -15.844 -8.633 656 1HG GLU 88 2HG GLU 88 5.920 -13.857 -7.984 657 2HG GLU 88 1HG GLU 88 4.490 -14.562 -8.732 658 H GLY 89 H GLY 89 8.958 -15.895 -10.339 659 1HA GLY 89 2HA GLY 89 8.508 -17.853 -12.422 660 2HA GLY 89 1HA GLY 89 9.657 -16.582 -12.845 661 H LEU 90 H LEU 90 11.723 -16.917 -12.334 662 HA LEU 90 HA LEU 90 12.364 -19.184 -10.604 663 1HB LEU 90 2HB LEU 90 13.808 -17.700 -12.751 664 2HB LEU 90 1HB LEU 90 14.754 -18.517 -11.516 665 HG LEU 90 HG LEU 90 13.876 -20.648 -12.139 666 1HD1 LEU 90 1HD1 LEU 90 11.647 -20.483 -12.588 667 2HD1 LEU 90 2HD1 LEU 90 12.271 -20.587 -14.234 668 3HD1 LEU 90 3HD1 LEU 90 11.834 -19.022 -13.556 669 1HD2 LEU 90 1HD2 LEU 90 14.406 -20.676 -14.629 670 2HD2 LEU 90 2HD2 LEU 90 15.663 -20.070 -13.552 671 3HD2 LEU 90 3HD2 LEU 90 14.671 -18.933 -14.474 672 H GLU 91 H GLU 91 11.980 -18.250 -8.591 673 HA GLU 91 HA GLU 91 12.465 -17.095 -6.690 674 1HB GLU 91 2HB GLU 91 15.220 -16.699 -7.851 675 2HB GLU 91 1HB GLU 91 14.762 -16.793 -6.149 676 1HG GLU 91 2HG GLU 91 13.977 -19.182 -7.547 677 2HG GLU 91 1HG GLU 91 15.691 -18.852 -7.795 678 H GLY 92 H GLY 92 11.557 -15.632 -9.129 679 1HA GLY 92 2HA GLY 92 12.491 -12.955 -8.313 680 2HA GLY 92 1HA GLY 92 12.218 -13.374 -10.002 681 H SER 93 H SER 93 10.202 -14.262 -7.235 682 HA SER 93 HA SER 93 7.800 -13.588 -8.487 683 1HB SER 93 2HB SER 93 6.948 -13.569 -6.019 684 2HB SER 93 1HB SER 93 7.557 -15.074 -6.707 685 HG SER 93 HG SER 93 9.210 -13.290 -5.262 686 H ARG 94 H ARG 94 7.934 -11.512 -9.351 687 HA ARG 94 HA ARG 94 8.346 -9.281 -7.532 688 1HB ARG 94 2HB ARG 94 9.139 -8.252 -9.345 689 2HB ARG 94 1HB ARG 94 8.827 -9.707 -10.273 690 1HG ARG 94 2HG ARG 94 6.710 -7.618 -9.853 691 2HG ARG 94 1HG ARG 94 7.897 -7.509 -11.155 692 1HD ARG 94 2HD ARG 94 6.659 -10.135 -11.002 693 2HD ARG 94 1HD ARG 94 5.479 -8.851 -11.242 694 HE ARG 94 HE ARG 94 6.432 -8.370 -13.311 695 1HH1 ARG 94 1HH1 ARG 94 8.214 -10.897 -11.680 696 2HH1 ARG 94 2HH1 ARG 94 9.076 -11.373 -13.103 697 1HH2 ARG 94 1HH2 ARG 94 7.568 -9.001 -15.175 698 2HH2 ARG 94 2HH2 ARG 94 8.711 -10.299 -15.084 699 H PHE 95 H PHE 95 6.801 -7.500 -7.438 700 HA PHE 95 HA PHE 95 4.033 -8.295 -7.997 701 1HB PHE 95 2HB PHE 95 4.768 -8.745 -5.577 702 2HB PHE 95 1HB PHE 95 4.804 -6.995 -5.392 703 HD1 PHE 95 1HD PHE 95 2.387 -9.038 -7.326 704 HD2 PHE 95 2HD PHE 95 3.057 -6.590 -3.906 705 HE1 PHE 95 1HE PHE 95 -0.023 -9.037 -6.857 706 HE2 PHE 95 2HE PHE 95 0.649 -6.594 -3.426 707 HZ PHE 95 HZ PHE 95 -0.894 -7.812 -4.913 708 H THR 96 H THR 96 2.707 -6.669 -8.668 709 HA THR 96 HA THR 96 3.629 -3.906 -8.357 710 HB THR 96 HB THR 96 2.623 -4.703 -11.048 711 HG1 THR 96 1HG THR 96 5.255 -5.114 -10.094 712 1HG2 THR 96 1HG2 THR 96 2.926 -2.406 -10.891 713 2HG2 THR 96 2HG2 THR 96 4.386 -2.984 -11.696 714 3HG2 THR 96 3HG2 THR 96 4.430 -2.572 -9.981 715 H VAL 97 H VAL 97 2.055 -2.489 -7.991 716 HA VAL 97 HA VAL 97 -0.723 -3.263 -8.578 717 HB VAL 97 HB VAL 97 -0.067 -1.738 -6.075 718 1HG1 VAL 97 1HG1 VAL 97 -2.368 -1.720 -6.793 719 2HG1 VAL 97 2HG1 VAL 97 -2.218 -2.721 -5.348 720 3HG1 VAL 97 3HG1 VAL 97 -2.365 -3.477 -6.934 721 1HG2 VAL 97 1HG2 VAL 97 -0.600 -4.319 -5.238 722 2HG2 VAL 97 2HG2 VAL 97 0.974 -3.522 -5.222 723 3HG2 VAL 97 3HG2 VAL 97 0.512 -4.535 -6.587 724 H ASN 98 H ASN 98 -2.216 -1.406 -8.668 725 HA ASN 98 HA ASN 98 -0.901 1.173 -9.115 726 1HB ASN 98 2HB ASN 98 -2.858 0.023 -11.109 727 2HB ASN 98 1HB ASN 98 -1.897 1.497 -11.266 728 1HD2 ASN 98 1HD2 ASN 98 -2.140 -1.497 -12.402 729 2HD2 ASN 98 2HD2 ASN 98 -0.488 -1.852 -12.741 730 H ASN 99 H ASN 99 -2.023 2.861 -8.384 731 HA ASN 99 HA ASN 99 -4.910 2.723 -8.078 732 1HB ASN 99 2HB ASN 99 -3.530 3.696 -5.641 733 2HB ASN 99 1HB ASN 99 -5.035 2.795 -5.802 734 1HD2 ASN 99 1HD2 ASN 99 -2.023 2.639 -4.618 735 2HD2 ASN 99 2HD2 ASN 99 -1.782 0.931 -4.625 736 HA PRO 100 HA PRO 100 -4.972 7.023 -8.976 737 1HB PRO 100 2HB PRO 100 -6.197 8.168 -6.751 738 2HB PRO 100 1HB PRO 100 -7.032 7.476 -8.150 739 1HG PRO 100 2HG PRO 100 -6.470 6.265 -5.482 740 2HG PRO 100 1HG PRO 100 -7.902 6.099 -6.515 741 1HD PRO 100 2HD PRO 100 -6.077 4.152 -6.336 742 2HD PRO 100 1HD PRO 100 -6.892 4.509 -7.870 743 H ASN 101 H ASN 101 -4.228 6.641 -5.506 744 HA ASN 101 HA ASN 101 -2.746 9.000 -5.254 745 1HB ASN 101 2HB ASN 101 -2.258 8.312 -3.113 746 2HB ASN 101 1HB ASN 101 -3.641 7.273 -3.459 747 1HD2 ASN 101 1HD2 ASN 101 -3.134 5.095 -4.275 748 2HD2 ASN 101 2HD2 ASN 101 -1.730 4.297 -3.651 749 H ALA 102 H ALA 102 -1.714 5.722 -6.090 750 HA ALA 102 HA ALA 102 1.030 6.046 -6.057 751 1HB ALA 102 1HB ALA 102 -0.610 4.014 -6.701 752 2HB ALA 102 2HB ALA 102 1.120 4.019 -7.042 753 3HB ALA 102 3HB ALA 102 -0.029 4.461 -8.304 754 H THR 103 H THR 103 -1.290 7.036 -8.503 755 HA THR 103 HA THR 103 0.911 8.291 -10.007 756 HB THR 103 HB THR 103 -1.024 8.246 -11.850 757 HG1 THR 103 1HG THR 103 -2.599 7.017 -11.269 758 1HG2 THR 103 1HG2 THR 103 -0.045 6.360 -12.853 759 2HG2 THR 103 2HG2 THR 103 0.498 5.721 -11.302 760 3HG2 THR 103 3HG2 THR 103 1.249 7.170 -11.971 761 H SER 104 H SER 104 0.209 9.792 -8.007 762 HA SER 104 HA SER 104 -1.998 11.544 -8.733 763 1HB SER 104 2HB SER 104 -1.809 10.992 -6.388 764 2HB SER 104 1HB SER 104 -0.129 11.526 -6.352 765 HG SER 104 HG SER 104 -2.370 13.183 -6.898 766 H THR 105 H THR 105 -0.296 11.745 -10.729 767 HA THR 105 HA THR 105 0.807 14.428 -10.403 768 HB THR 105 HB THR 105 2.492 12.490 -11.917 769 HG1 THR 105 1HG THR 105 2.622 12.748 -9.099 770 1HG2 THR 105 1HG2 THR 105 3.912 14.175 -11.911 771 2HG2 THR 105 2HG2 THR 105 3.948 14.155 -10.149 772 3HG2 THR 105 3HG2 THR 105 2.761 15.148 -10.994 773 H CYS 106 H CYS 106 -1.451 14.253 -11.622 774 HA CYS 106 HA CYS 106 -0.923 13.973 -14.502 775 1HB CYS 106 2HB CYS 106 -3.383 13.851 -14.754 776 2HB CYS 106 1HB CYS 106 -2.746 12.571 -13.728 777 HG CYS 106 HG CYS 106 -3.585 14.534 -11.803 778 H GLY 107 H GLY 107 -0.327 16.308 -12.665 779 1HA GLY 107 2HA GLY 107 -0.110 18.538 -13.516 780 2HA GLY 107 1HA GLY 107 -1.640 18.324 -14.360 781 H CYS 108 H CYS 108 -1.994 17.049 -11.309 782 HA CYS 108 HA CYS 108 -3.125 17.721 -9.454 783 1HB CYS 108 2HB CYS 108 -1.915 20.437 -10.000 784 2HB CYS 108 1HB CYS 108 -2.503 19.830 -8.455 785 HG CYS 108 HG CYS 108 0.061 19.597 -8.433 786 H GLY 109 H GLY 109 -4.468 19.952 -8.699 787 1HA GLY 109 2HA GLY 109 -6.109 20.872 -10.923 788 2HA GLY 109 1HA GLY 109 -6.922 19.856 -9.735 789 H SER 110 H SER 110 -7.998 22.240 -10.030 790 HA SER 110 HA SER 110 -7.005 23.808 -7.739 791 1HB SER 110 2HB SER 110 -7.732 25.825 -8.799 792 2HB SER 110 1HB SER 110 -6.811 24.927 -10.005 793 HG SER 110 HG SER 110 -9.036 25.875 -10.515 794 H SER 111 H SER 111 -9.127 25.505 -7.395 795 HA SER 111 HA SER 111 -10.903 23.981 -5.867 796 1HB SER 111 2HB SER 111 -10.690 26.804 -6.701 797 2HB SER 111 1HB SER 111 -12.321 26.270 -6.295 798 HG SER 111 HG SER 111 -10.018 26.343 -4.676 799 H PHE 112 H PHE 112 -13.374 24.182 -6.180 800 HA PHE 112 HA PHE 112 -15.229 23.498 -7.310 801 1HB PHE 112 2HB PHE 112 -13.882 24.608 -9.775 802 2HB PHE 112 1HB PHE 112 -15.606 24.373 -9.518 803 HD1 PHE 112 1HD PHE 112 -16.316 25.566 -7.108 804 HD2 PHE 112 2HD PHE 112 -13.279 26.813 -9.816 805 HE1 PHE 112 1HE PHE 112 -16.506 27.867 -6.256 806 HE2 PHE 112 2HE PHE 112 -13.463 29.115 -8.968 807 HZ PHE 112 HZ PHE 112 -15.077 29.645 -7.185 808 H SER 113 H SER 113 -15.715 22.438 -9.745 809 HA SER 113 HA SER 113 -14.503 19.849 -9.532 810 1HB SER 113 2HB SER 113 -16.066 19.164 -11.205 811 2HB SER 113 1HB SER 113 -16.921 20.302 -10.164 812 HG SER 113 HG SER 113 -17.364 21.166 -12.051 813 H ILE 114 H ILE 114 -14.334 19.043 -12.165 814 HA ILE 114 HA ILE 114 -11.732 19.556 -12.850 815 HB ILE 114 HB ILE 114 -12.157 18.554 -14.980 816 1HG1 ILE 114 2HG1 ILE 114 -14.168 19.909 -15.560 817 2HG1 ILE 114 1HG1 ILE 114 -14.369 18.193 -15.895 818 1HG2 ILE 114 1HG2 ILE 114 -12.310 17.169 -12.894 819 2HG2 ILE 114 2HG2 ILE 114 -13.108 16.488 -14.311 820 3HG2 ILE 114 3HG2 ILE 114 -14.064 17.264 -13.048 821 1HD1 ILE 114 1HD1 ILE 114 -15.629 19.863 -13.769 822 2HD1 ILE 114 2HD1 ILE 114 -15.482 18.116 -13.567 823 3HD1 ILE 114 3HD1 ILE 114 -16.380 18.774 -14.935 Start of MODEL 3 1 1H MET 1 1HT MET 1 -25.819 -9.909 1.377 2 2H MET 1 2HT MET 1 -25.396 -8.380 2.029 3 3H MET 1 3HT MET 1 -24.610 -9.800 2.587 4 HA MET 1 HA MET 1 -24.350 -8.421 0.023 5 1HB MET 1 2HB MET 1 -22.516 -9.325 2.242 6 2HB MET 1 1HB MET 1 -21.914 -8.787 0.683 7 1HG MET 1 2HG MET 1 -22.333 -6.621 1.111 8 2HG MET 1 1HG MET 1 -23.815 -6.972 2.001 9 1HE MET 1 1HE MET 1 -23.341 -7.402 5.275 10 2HE MET 1 2HE MET 1 -22.226 -8.742 5.005 11 3HE MET 1 3HE MET 1 -23.628 -8.540 3.958 12 H ILE 2 H ILE 2 -22.254 -9.674 -1.032 13 HA ILE 2 HA ILE 2 -23.321 -12.312 -1.697 14 HB ILE 2 HB ILE 2 -21.012 -11.420 -3.248 15 1HG1 ILE 2 2HG1 ILE 2 -21.944 -9.204 -2.883 16 2HG1 ILE 2 1HG1 ILE 2 -22.257 -9.718 -4.543 17 1HG2 ILE 2 1HG2 ILE 2 -23.017 -13.209 -3.560 18 2HG2 ILE 2 2HG2 ILE 2 -22.029 -12.579 -4.879 19 3HG2 ILE 2 3HG2 ILE 2 -23.610 -11.870 -4.542 20 1HD1 ILE 2 1HD1 ILE 2 -24.312 -8.929 -4.052 21 2HD1 ILE 2 2HD1 ILE 2 -24.128 -9.205 -2.319 22 3HD1 ILE 2 3HD1 ILE 2 -24.525 -10.551 -3.388 23 H ASP 3 H ASP 3 -20.972 -13.408 -2.754 24 HA ASP 3 HA ASP 3 -19.515 -14.018 -0.273 25 1HB ASP 3 2HB ASP 3 -18.861 -16.132 -1.521 26 2HB ASP 3 1HB ASP 3 -20.559 -15.989 -1.086 27 H ASP 4 H ASP 4 -19.036 -13.602 -3.772 28 HA ASP 4 HA ASP 4 -16.223 -13.638 -3.730 29 1HB ASP 4 2HB ASP 4 -17.746 -13.816 -5.764 30 2HB ASP 4 1HB ASP 4 -17.907 -12.065 -5.680 31 H MET 5 H MET 5 -18.549 -10.995 -3.556 32 HA MET 5 HA MET 5 -18.375 -8.817 -2.947 33 1HB MET 5 2HB MET 5 -16.236 -10.030 -1.198 34 2HB MET 5 1HB MET 5 -16.879 -8.402 -0.994 35 1HG MET 5 2HG MET 5 -18.833 -10.616 -1.089 36 2HG MET 5 1HG MET 5 -17.810 -10.499 0.345 37 1HE MET 5 1HE MET 5 -21.141 -7.826 -1.093 38 2HE MET 5 2HE MET 5 -20.132 -8.919 -2.044 39 3HE MET 5 3HE MET 5 -19.600 -7.266 -1.742 40 H ALA 6 H ALA 6 -16.791 -6.944 -2.605 41 HA ALA 6 HA ALA 6 -14.235 -6.903 -3.716 42 1HB ALA 6 1HB ALA 6 -14.961 -5.581 -5.840 43 2HB ALA 6 2HB ALA 6 -16.463 -6.483 -5.650 44 3HB ALA 6 3HB ALA 6 -14.940 -7.345 -5.859 45 H VAL 7 H VAL 7 -13.906 -5.524 -1.963 46 HA VAL 7 HA VAL 7 -15.472 -3.084 -1.851 47 HB VAL 7 HB VAL 7 -13.310 -3.661 0.126 48 1HG1 VAL 7 1HG1 VAL 7 -15.025 -1.618 -0.131 49 2HG1 VAL 7 2HG1 VAL 7 -14.376 -2.162 1.416 50 3HG1 VAL 7 3HG1 VAL 7 -15.974 -2.693 0.892 51 1HG2 VAL 7 1HG2 VAL 7 -14.654 -5.769 -0.205 52 2HG2 VAL 7 2HG2 VAL 7 -16.057 -4.861 0.341 53 3HG2 VAL 7 3HG2 VAL 7 -14.689 -5.096 1.426 54 HA PRO 8 HA PRO 8 -11.361 -1.031 -2.622 55 1HB PRO 8 2HB PRO 8 -9.188 -1.843 -1.428 56 2HB PRO 8 1HB PRO 8 -10.627 -1.579 -0.439 57 1HG PRO 8 2HG PRO 8 -9.436 -4.146 -1.386 58 2HG PRO 8 1HG PRO 8 -10.239 -3.783 0.154 59 1HD PRO 8 2HD PRO 8 -11.401 -4.881 -2.245 60 2HD PRO 8 1HD PRO 8 -12.212 -4.522 -0.710 61 H LEU 9 H LEU 9 -8.550 -2.306 -2.780 62 HA LEU 9 HA LEU 9 -8.190 -2.325 -5.521 63 1HB LEU 9 2HB LEU 9 -6.503 -1.933 -3.709 64 2HB LEU 9 1HB LEU 9 -6.466 -3.663 -3.439 65 HG LEU 9 HG LEU 9 -4.743 -3.727 -4.848 66 1HD1 LEU 9 1HD1 LEU 9 -6.216 -4.626 -6.439 67 2HD1 LEU 9 2HD1 LEU 9 -5.218 -3.459 -7.295 68 3HD1 LEU 9 3HD1 LEU 9 -6.863 -3.038 -6.846 69 1HD2 LEU 9 1HD2 LEU 9 -4.263 -1.723 -6.401 70 2HD2 LEU 9 2HD2 LEU 9 -4.071 -1.525 -4.660 71 3HD2 LEU 9 3HD2 LEU 9 -5.513 -0.914 -5.464 72 H THR 10 H THR 10 -8.456 -3.791 -7.059 73 HA THR 10 HA THR 10 -8.958 -6.589 -6.316 74 HB THR 10 HB THR 10 -9.613 -5.022 -8.814 75 HG1 THR 10 1HG THR 10 -10.991 -4.922 -6.874 76 1HG2 THR 10 1HG2 THR 10 -9.597 -6.906 -9.971 77 2HG2 THR 10 2HG2 THR 10 -10.920 -7.469 -8.949 78 3HG2 THR 10 3HG2 THR 10 -9.250 -7.860 -8.528 79 H PHE 11 H PHE 11 -7.354 -8.000 -6.658 80 HA PHE 11 HA PHE 11 -5.017 -7.160 -8.165 81 1HB PHE 11 2HB PHE 11 -3.900 -9.008 -7.168 82 2HB PHE 11 1HB PHE 11 -4.886 -8.276 -5.912 83 HD1 PHE 11 1HD PHE 11 -4.264 -11.158 -7.939 84 HD2 PHE 11 2HD PHE 11 -6.945 -9.404 -5.162 85 HE1 PHE 11 1HE PHE 11 -5.269 -13.350 -7.553 86 HE2 PHE 11 2HE PHE 11 -7.977 -11.606 -4.759 87 HZ PHE 11 HZ PHE 11 -7.136 -13.583 -5.967 88 H THR 12 H THR 12 -3.923 -9.193 -9.345 89 HA THR 12 HA THR 12 -5.700 -9.745 -11.565 90 HB THR 12 HB THR 12 -3.240 -9.097 -11.754 91 HG1 THR 12 1HG THR 12 -3.164 -11.200 -13.324 92 1HG2 THR 12 1HG2 THR 12 -1.575 -10.778 -11.656 93 2HG2 THR 12 2HG2 THR 12 -2.766 -12.022 -11.291 94 3HG2 THR 12 3HG2 THR 12 -2.410 -10.774 -10.103 95 H ASP 13 H ASP 13 -4.582 -12.228 -12.414 96 HA ASP 13 HA ASP 13 -6.114 -14.022 -10.709 97 1HB ASP 13 2HB ASP 13 -6.401 -13.981 -13.212 98 2HB ASP 13 1HB ASP 13 -4.766 -14.622 -13.345 99 H ALA 14 H ALA 14 -2.867 -13.673 -12.023 100 HA ALA 14 HA ALA 14 -1.755 -16.009 -10.971 101 1HB ALA 14 1HB ALA 14 0.381 -15.048 -11.448 102 2HB ALA 14 2HB ALA 14 -0.284 -13.419 -11.421 103 3HB ALA 14 3HB ALA 14 -0.734 -14.523 -12.709 104 H ALA 15 H ALA 15 -2.051 -12.756 -9.566 105 HA ALA 15 HA ALA 15 -0.494 -13.150 -7.297 106 1HB ALA 15 1HB ALA 15 -1.190 -11.092 -6.821 107 2HB ALA 15 2HB ALA 15 -2.841 -11.659 -6.593 108 3HB ALA 15 3HB ALA 15 -2.286 -11.178 -8.200 109 H ALA 16 H ALA 16 -3.649 -14.297 -8.166 110 HA ALA 16 HA ALA 16 -4.406 -15.310 -5.591 111 1HB ALA 16 1HB ALA 16 -5.951 -14.850 -7.569 112 2HB ALA 16 2HB ALA 16 -6.190 -16.374 -6.724 113 3HB ALA 16 3HB ALA 16 -5.322 -16.335 -8.258 114 H ASN 17 H ASN 17 -2.943 -16.539 -8.521 115 HA ASN 17 HA ASN 17 -2.694 -19.222 -7.897 116 1HB ASN 17 2HB ASN 17 -1.106 -17.368 -9.645 117 2HB ASN 17 1HB ASN 17 -0.630 -19.045 -9.460 118 1HD2 ASN 17 1HD2 ASN 17 -3.581 -17.171 -10.041 119 2HD2 ASN 17 2HD2 ASN 17 -4.159 -18.168 -11.326 120 H LYS 18 H LYS 18 -0.397 -16.573 -7.329 121 HA LYS 18 HA LYS 18 1.671 -18.007 -6.187 122 1HB LYS 18 2HB LYS 18 2.084 -15.743 -6.669 123 2HB LYS 18 1HB LYS 18 0.673 -15.204 -5.772 124 1HG LYS 18 2HG LYS 18 2.904 -16.557 -4.326 125 2HG LYS 18 1HG LYS 18 3.060 -14.863 -4.798 126 1HD LYS 18 2HD LYS 18 0.571 -14.882 -3.714 127 2HD LYS 18 1HD LYS 18 1.380 -16.107 -2.734 128 1HE LYS 18 2HE LYS 18 2.287 -13.265 -3.176 129 2HE LYS 18 1HE LYS 18 1.595 -13.928 -1.696 130 1HZ LYS 18 1HZ LYS 18 3.571 -14.689 -1.074 131 2HZ LYS 18 2HZ LYS 18 4.256 -13.809 -2.346 132 3HZ LYS 18 3HZ LYS 18 3.852 -15.437 -2.567 133 H VAL 19 H VAL 19 -1.396 -17.036 -4.852 134 HA VAL 19 HA VAL 19 -0.702 -17.748 -2.148 135 HB VAL 19 HB VAL 19 -3.388 -17.093 -3.361 136 1HG1 VAL 19 1HG1 VAL 19 -2.592 -17.957 -0.700 137 2HG1 VAL 19 2HG1 VAL 19 -4.194 -17.866 -1.426 138 3HG1 VAL 19 3HG1 VAL 19 -3.480 -16.433 -0.682 139 1HG2 VAL 19 1HG2 VAL 19 -2.785 -14.959 -3.347 140 2HG2 VAL 19 2HG2 VAL 19 -1.165 -15.425 -2.830 141 3HG2 VAL 19 3HG2 VAL 19 -2.402 -15.058 -1.629 142 H LYS 20 H LYS 20 -3.357 -18.869 -4.215 143 HA LYS 20 HA LYS 20 -3.968 -21.190 -2.873 144 1HB LYS 20 2HB LYS 20 -4.795 -21.969 -5.175 145 2HB LYS 20 1HB LYS 20 -5.508 -20.519 -4.483 146 1HG LYS 20 2HG LYS 20 -4.892 -19.322 -6.241 147 2HG LYS 20 1HG LYS 20 -3.209 -19.812 -6.033 148 1HD LYS 20 2HD LYS 20 -5.187 -21.659 -7.311 149 2HD LYS 20 1HD LYS 20 -4.420 -20.380 -8.248 150 1HE LYS 20 2HE LYS 20 -2.462 -21.460 -8.334 151 2HE LYS 20 1HE LYS 20 -2.548 -21.933 -6.640 152 1HZ LYS 20 1HZ LYS 20 -4.374 -23.545 -7.584 153 2HZ LYS 20 2HZ LYS 20 -2.734 -23.959 -7.631 154 3HZ LYS 20 3HZ LYS 20 -3.493 -23.357 -9.017 155 H SER 21 H SER 21 -1.242 -20.594 -4.891 156 HA SER 21 HA SER 21 -0.834 -23.370 -5.507 157 1HB SER 21 2HB SER 21 0.901 -20.952 -6.035 158 2HB SER 21 1HB SER 21 1.254 -22.588 -6.609 159 HG SER 21 HG SER 21 -0.352 -22.464 -8.024 160 H LEU 22 H LEU 22 0.822 -20.969 -3.464 161 HA LEU 22 HA LEU 22 2.633 -23.009 -2.523 162 1HB LEU 22 2HB LEU 22 3.960 -21.354 -1.833 163 2HB LEU 22 1HB LEU 22 2.934 -20.350 -2.833 164 HG LEU 22 HG LEU 22 3.395 -19.303 -0.693 165 1HD1 LEU 22 1HD1 LEU 22 1.398 -18.578 -1.591 166 2HD1 LEU 22 2HD1 LEU 22 0.960 -19.044 0.049 167 3HD1 LEU 22 3HD1 LEU 22 0.591 -20.105 -1.298 168 1HD2 LEU 22 1HD2 LEU 22 3.182 -20.258 1.317 169 2HD2 LEU 22 2HD2 LEU 22 3.275 -21.768 0.412 170 3HD2 LEU 22 3HD2 LEU 22 1.704 -21.114 0.885 171 H ILE 23 H ILE 23 -0.367 -21.611 -1.538 172 HA ILE 23 HA ILE 23 -0.187 -22.402 1.181 173 HB ILE 23 HB ILE 23 -2.605 -22.008 1.251 174 1HG1 ILE 23 2HG1 ILE 23 -3.264 -20.755 -1.048 175 2HG1 ILE 23 1HG1 ILE 23 -2.198 -22.005 -1.673 176 1HG2 ILE 23 1HG2 ILE 23 -0.592 -20.073 0.379 177 2HG2 ILE 23 2HG2 ILE 23 -1.690 -20.022 1.753 178 3HG2 ILE 23 3HG2 ILE 23 -2.259 -19.558 0.149 179 1HD1 ILE 23 1HD1 ILE 23 -3.836 -23.484 -1.540 180 2HD1 ILE 23 2HD1 ILE 23 -4.915 -22.210 -0.956 181 3HD1 ILE 23 3HD1 ILE 23 -3.993 -23.180 0.193 182 H SER 24 H SER 24 -1.758 -23.702 -1.694 183 HA SER 24 HA SER 24 -2.843 -26.001 -0.530 184 1HB SER 24 2HB SER 24 -2.073 -25.200 -3.308 185 2HB SER 24 1HB SER 24 -2.448 -26.891 -2.993 186 HG SER 24 HG SER 24 -4.495 -26.375 -2.530 187 H GLU 25 H GLU 25 0.343 -25.094 -1.407 188 HA GLU 25 HA GLU 25 1.427 -27.753 -1.410 189 1HB GLU 25 2HB GLU 25 2.313 -25.117 -2.169 190 2HB GLU 25 1HB GLU 25 3.500 -25.864 -1.103 191 1HG GLU 25 2HG GLU 25 3.688 -27.767 -2.558 192 2HG GLU 25 1HG GLU 25 2.403 -27.141 -3.592 193 H GLU 26 H GLU 26 0.684 -25.323 0.904 194 HA GLU 26 HA GLU 26 2.608 -26.209 2.850 195 1HB GLU 26 2HB GLU 26 0.211 -24.424 3.159 196 2HB GLU 26 1HB GLU 26 1.454 -24.663 4.374 197 1HG GLU 26 2HG GLU 26 2.606 -23.873 1.853 198 2HG GLU 26 1HG GLU 26 1.376 -22.722 2.377 199 H GLU 27 H GLU 27 -0.455 -27.142 1.770 200 HA GLU 27 HA GLU 27 -1.701 -28.982 2.319 201 1HB GLU 27 2HB GLU 27 0.633 -29.560 3.645 202 2HB GLU 27 1HB GLU 27 -0.532 -29.515 4.960 203 1HG GLU 27 2HG GLU 27 -1.851 -30.984 3.072 204 2HG GLU 27 1HG GLU 27 -0.172 -31.489 2.849 205 H ASN 28 H ASN 28 -1.655 -26.066 3.510 206 HA ASN 28 HA ASN 28 -2.996 -26.108 5.956 207 1HB ASN 28 2HB ASN 28 -3.893 -24.063 3.994 208 2HB ASN 28 1HB ASN 28 -3.412 -23.867 5.672 209 1HD2 ASN 28 1HD2 ASN 28 -2.576 -23.449 2.492 210 2HD2 ASN 28 2HD2 ASN 28 -0.917 -23.050 2.714 211 H THR 29 H THR 29 -4.534 -25.404 2.846 212 HA THR 29 HA THR 29 -6.414 -27.338 2.626 213 HB THR 29 HB THR 29 -7.267 -27.138 4.808 214 HG1 THR 29 1HG THR 29 -9.331 -26.549 4.453 215 1HG2 THR 29 1HG2 THR 29 -6.258 -24.556 4.750 216 2HG2 THR 29 2HG2 THR 29 -7.134 -25.330 6.081 217 3HG2 THR 29 3HG2 THR 29 -8.002 -24.350 4.903 218 H ASP 30 H ASP 30 -6.375 -23.802 2.919 219 HA ASP 30 HA ASP 30 -6.737 -23.165 0.264 220 1HB ASP 30 2HB ASP 30 -9.165 -24.185 1.430 221 2HB ASP 30 1HB ASP 30 -9.377 -22.477 1.052 222 H LEU 31 H LEU 31 -5.204 -21.955 1.559 223 HA LEU 31 HA LEU 31 -5.818 -20.140 3.524 224 1HB LEU 31 2HB LEU 31 -3.639 -20.880 1.924 225 2HB LEU 31 1HB LEU 31 -3.712 -19.139 1.902 226 HG LEU 31 HG LEU 31 -2.267 -19.796 3.677 227 1HD1 LEU 31 1HD1 LEU 31 -3.264 -18.674 5.477 228 2HD1 LEU 31 2HD1 LEU 31 -4.881 -19.184 4.996 229 3HD1 LEU 31 3HD1 LEU 31 -4.008 -18.000 4.036 230 1HD2 LEU 31 1HD2 LEU 31 -2.513 -21.675 4.830 231 2HD2 LEU 31 2HD2 LEU 31 -3.924 -22.044 3.829 232 3HD2 LEU 31 3HD2 LEU 31 -4.124 -21.208 5.367 233 H LYS 32 H LYS 32 -5.892 -17.924 3.572 234 HA LYS 32 HA LYS 32 -7.079 -16.640 1.205 235 1HB LYS 32 2HB LYS 32 -7.530 -15.861 4.088 236 2HB LYS 32 1HB LYS 32 -8.414 -15.303 2.683 237 1HG LYS 32 2HG LYS 32 -9.733 -17.135 2.610 238 2HG LYS 32 1HG LYS 32 -8.460 -18.208 3.191 239 1HD LYS 32 2HD LYS 32 -10.361 -17.897 4.786 240 2HD LYS 32 1HD LYS 32 -8.780 -17.483 5.447 241 1HE LYS 32 2HE LYS 32 -9.437 -15.073 4.579 242 2HE LYS 32 1HE LYS 32 -11.066 -15.721 4.739 243 1HZ LYS 32 1HZ LYS 32 -9.975 -16.454 7.064 244 2HZ LYS 32 2HZ LYS 32 -10.843 -15.020 6.841 245 3HZ LYS 32 3HZ LYS 32 -9.158 -15.003 6.790 246 H LEU 33 H LEU 33 -5.757 -15.129 0.348 247 HA LEU 33 HA LEU 33 -3.355 -14.324 1.502 248 1HB LEU 33 2HB LEU 33 -4.134 -14.225 -0.939 249 2HB LEU 33 1HB LEU 33 -4.893 -12.711 -0.505 250 HG LEU 33 HG LEU 33 -2.640 -12.558 -1.626 251 1HD1 LEU 33 1HD1 LEU 33 -3.633 -11.137 0.704 252 2HD1 LEU 33 2HD1 LEU 33 -2.966 -10.521 -0.799 253 3HD1 LEU 33 3HD1 LEU 33 -1.888 -11.003 0.510 254 1HD2 LEU 33 1HD2 LEU 33 -0.822 -13.496 -0.759 255 2HD2 LEU 33 2HD2 LEU 33 -1.894 -14.381 0.324 256 3HD2 LEU 33 3HD2 LEU 33 -1.169 -12.861 0.848 257 H ARG 34 H ARG 34 -2.724 -12.516 2.626 258 HA ARG 34 HA ARG 34 -4.804 -10.613 3.417 259 1HB ARG 34 2HB ARG 34 -4.484 -12.325 5.203 260 2HB ARG 34 1HB ARG 34 -2.815 -11.789 5.355 261 1HG ARG 34 2HG ARG 34 -5.020 -9.801 5.613 262 2HG ARG 34 1HG ARG 34 -4.660 -10.877 6.959 263 1HD ARG 34 2HD ARG 34 -2.733 -8.987 5.614 264 2HD ARG 34 1HD ARG 34 -3.477 -8.765 7.194 265 HE ARG 34 HE ARG 34 -1.176 -10.310 6.604 266 1HH1 ARG 34 1HH1 ARG 34 -3.986 -10.215 8.670 267 2HH1 ARG 34 2HH1 ARG 34 -3.247 -11.149 9.928 268 1HH2 ARG 34 1HH2 ARG 34 -0.203 -11.530 8.254 269 2HH2 ARG 34 2HH2 ARG 34 -1.100 -11.893 9.691 270 H VAL 35 H VAL 35 -4.021 -9.019 2.167 271 HA VAL 35 HA VAL 35 -1.274 -8.395 1.914 272 HB VAL 35 HB VAL 35 -3.635 -6.635 1.298 273 1HG1 VAL 35 1HG1 VAL 35 -1.360 -5.564 1.289 274 2HG1 VAL 35 2HG1 VAL 35 -2.254 -5.461 -0.221 275 3HG1 VAL 35 3HG1 VAL 35 -0.944 -6.625 -0.055 276 1HG2 VAL 35 1HG2 VAL 35 -4.012 -8.700 0.211 277 2HG2 VAL 35 2HG2 VAL 35 -2.337 -8.789 -0.335 278 3HG2 VAL 35 3HG2 VAL 35 -3.422 -7.570 -1.006 279 H TYR 36 H TYR 36 -0.187 -6.541 2.510 280 HA TYR 36 HA TYR 36 -1.276 -4.897 4.660 281 1HB TYR 36 2HB TYR 36 1.258 -5.200 5.588 282 2HB TYR 36 1HB TYR 36 -0.114 -6.129 6.180 283 HD1 TYR 36 1HD TYR 36 3.145 -6.333 4.890 284 HD2 TYR 36 2HD TYR 36 -0.600 -8.348 4.843 285 HE1 TYR 36 1HE TYR 36 4.283 -8.410 4.233 286 HE2 TYR 36 2HE TYR 36 0.525 -10.435 4.188 287 HH TYR 36 HH TYR 36 3.542 -10.591 2.959 288 H ILE 37 H ILE 37 0.656 -3.198 5.179 289 HA ILE 37 HA ILE 37 1.112 -1.961 2.603 290 HB ILE 37 HB ILE 37 1.470 -1.007 5.431 291 1HG1 ILE 37 2HG1 ILE 37 -0.786 -0.937 4.522 292 2HG1 ILE 37 1HG1 ILE 37 -0.157 0.705 4.667 293 1HG2 ILE 37 1HG2 ILE 37 2.729 0.025 2.969 294 2HG2 ILE 37 2HG2 ILE 37 3.231 0.181 4.654 295 3HG2 ILE 37 3HG2 ILE 37 1.958 1.223 4.014 296 1HD1 ILE 37 1HD1 ILE 37 -1.117 0.779 2.600 297 2HD1 ILE 37 2HD1 ILE 37 -0.738 -0.903 2.238 298 3HD1 ILE 37 3HD1 ILE 37 0.529 0.320 2.173 299 H THR 38 H THR 38 2.848 -2.283 1.453 300 HA THR 38 HA THR 38 5.478 -2.281 2.623 301 HB THR 38 HB THR 38 4.715 -4.724 1.039 302 HG1 THR 38 1HG THR 38 4.752 -4.452 3.862 303 1HG2 THR 38 1HG2 THR 38 7.088 -3.851 2.567 304 2HG2 THR 38 2HG2 THR 38 6.974 -4.756 1.058 305 3HG2 THR 38 3HG2 THR 38 6.663 -5.563 2.598 306 H GLY 39 H GLY 39 4.118 -0.613 0.788 307 1HA GLY 39 2HA GLY 39 4.683 -1.175 -1.908 308 2HA GLY 39 1HA GLY 39 4.419 0.427 -1.232 309 H GLY 40 H GLY 40 5.989 1.488 -2.344 310 1HA GLY 40 2HA GLY 40 8.755 0.520 -2.008 311 2HA GLY 40 1HA GLY 40 8.205 1.592 -3.292 312 H GLY 41 H GLY 41 7.520 3.779 -2.648 313 1HA GLY 41 2HA GLY 41 8.273 4.775 -0.065 314 2HA GLY 41 1HA GLY 41 9.450 5.183 -1.305 315 H CYS 42 H CYS 42 7.401 6.739 0.353 316 HA CYS 42 HA CYS 42 6.015 8.527 0.095 317 1HB CYS 42 2HB CYS 42 7.889 8.646 -2.196 318 2HB CYS 42 1HB CYS 42 6.449 9.651 -2.323 319 HG CYS 42 HG CYS 42 7.997 11.199 -1.130 320 H SER 43 H SER 43 5.164 5.842 -0.912 321 HA SER 43 HA SER 43 2.635 6.549 -1.888 322 1HB SER 43 2HB SER 43 2.700 6.068 -4.181 323 2HB SER 43 1HB SER 43 4.189 6.976 -3.927 324 HG SER 43 HG SER 43 3.836 4.377 -4.693 325 H GLY 44 H GLY 44 2.074 4.226 -3.427 326 1HA GLY 44 2HA GLY 44 2.981 1.914 -1.957 327 2HA GLY 44 1HA GLY 44 1.320 2.370 -1.607 328 H PHE 45 H PHE 45 3.348 0.639 -3.664 329 HA PHE 45 HA PHE 45 1.082 0.068 -5.425 330 1HB PHE 45 2HB PHE 45 2.409 0.207 -7.422 331 2HB PHE 45 1HB PHE 45 2.589 1.725 -6.539 332 HD1 PHE 45 1HD PHE 45 4.316 -0.548 -8.413 333 HD2 PHE 45 2HD PHE 45 4.609 1.509 -4.701 334 HE1 PHE 45 1HE PHE 45 6.757 -0.842 -8.449 335 HE2 PHE 45 2HE PHE 45 7.041 1.221 -4.727 336 HZ PHE 45 HZ PHE 45 8.128 0.048 -6.603 337 H GLN 46 H GLN 46 3.277 -1.178 -3.332 338 HA GLN 46 HA GLN 46 3.485 -3.702 -4.828 339 1HB GLN 46 2HB GLN 46 5.135 -2.944 -2.428 340 2HB GLN 46 1HB GLN 46 5.423 -4.244 -3.574 341 1HG GLN 46 2HG GLN 46 6.009 -2.717 -5.289 342 2HG GLN 46 1HG GLN 46 5.478 -1.336 -4.328 343 1HE2 GLN 46 1HE2 GLN 46 7.496 -4.159 -3.752 344 2HE2 GLN 46 2HE2 GLN 46 8.858 -3.289 -3.123 345 H TYR 47 H TYR 47 3.554 -2.909 -1.356 346 HA TYR 47 HA TYR 47 2.325 -3.686 0.398 347 1HB TYR 47 2HB TYR 47 0.406 -4.906 -1.581 348 2HB TYR 47 1HB TYR 47 0.085 -4.432 0.084 349 HD1 TYR 47 1HD TYR 47 -0.121 -2.039 0.670 350 HD2 TYR 47 2HD TYR 47 0.325 -3.322 -3.360 351 HE1 TYR 47 1HE TYR 47 -0.903 0.158 -0.109 352 HE2 TYR 47 2HE TYR 47 -0.455 -1.127 -4.152 353 HH TYR 47 HH TYR 47 -2.123 0.904 -2.585 354 H GLY 48 H GLY 48 2.697 -5.391 1.665 355 1HA GLY 48 2HA GLY 48 3.883 -7.749 0.459 356 2HA GLY 48 1HA GLY 48 3.783 -7.395 2.174 357 H PHE 49 H PHE 49 2.953 -9.650 0.143 358 HA PHE 49 HA PHE 49 0.208 -10.027 1.092 359 1HB PHE 49 2HB PHE 49 1.759 -11.028 -1.250 360 2HB PHE 49 1HB PHE 49 0.402 -11.976 -0.662 361 HD1 PHE 49 1HD PHE 49 0.734 -8.297 -0.745 362 HD2 PHE 49 2HD PHE 49 -1.153 -11.742 -2.362 363 HE1 PHE 49 1HE PHE 49 -0.815 -6.854 -1.981 364 HE2 PHE 49 2HE PHE 49 -2.724 -10.315 -3.599 365 HZ PHE 49 HZ PHE 49 -2.554 -7.859 -3.420 366 H THR 50 H THR 50 -0.361 -11.607 2.428 367 HA THR 50 HA THR 50 1.551 -13.785 2.955 368 HB THR 50 HB THR 50 1.534 -11.976 4.775 369 HG1 THR 50 1HG THR 50 1.568 -13.586 6.404 370 1HG2 THR 50 1HG2 THR 50 -0.200 -11.838 6.297 371 2HG2 THR 50 2HG2 THR 50 -0.959 -13.326 5.722 372 3HG2 THR 50 3HG2 THR 50 -1.022 -11.863 4.736 373 H PHE 51 H PHE 51 0.481 -15.701 3.970 374 HA PHE 51 HA PHE 51 -2.230 -15.971 2.899 375 1HB PHE 51 2HB PHE 51 -0.404 -18.261 3.599 376 2HB PHE 51 1HB PHE 51 -1.754 -18.238 2.469 377 HD1 PHE 51 1HD PHE 51 -1.539 -16.769 0.405 378 HD2 PHE 51 2HD PHE 51 1.768 -17.843 2.852 379 HE1 PHE 51 1HE PHE 51 -0.003 -16.110 -1.396 380 HE2 PHE 51 2HE PHE 51 3.316 -17.205 1.050 381 HZ PHE 51 HZ PHE 51 2.434 -16.331 -1.077 382 H ASP 52 H ASP 52 -3.531 -15.389 4.468 383 HA ASP 52 HA ASP 52 -3.267 -16.688 7.100 384 1HB ASP 52 2HB ASP 52 -2.920 -14.374 7.425 385 2HB ASP 52 1HB ASP 52 -4.208 -13.940 6.309 386 H GLU 53 H GLU 53 -4.625 -18.358 7.065 387 HA GLU 53 HA GLU 53 -7.112 -18.345 5.663 388 1HB GLU 53 2HB GLU 53 -5.375 -20.282 6.656 389 2HB GLU 53 1HB GLU 53 -6.858 -20.493 7.577 390 1HG GLU 53 2HG GLU 53 -7.448 -20.132 4.798 391 2HG GLU 53 1HG GLU 53 -6.280 -21.428 5.009 392 H LYS 54 H LYS 54 -6.164 -17.589 8.909 393 HA LYS 54 HA LYS 54 -8.504 -18.201 10.277 394 1HB LYS 54 2HB LYS 54 -7.675 -15.938 11.585 395 2HB LYS 54 1HB LYS 54 -7.086 -17.556 11.894 396 1HG LYS 54 2HG LYS 54 -5.720 -16.075 9.754 397 2HG LYS 54 1HG LYS 54 -5.504 -15.462 11.392 398 1HD LYS 54 2HD LYS 54 -5.251 -18.379 11.121 399 2HD LYS 54 1HD LYS 54 -4.017 -17.447 10.271 400 1HE LYS 54 2HE LYS 54 -4.626 -16.580 13.022 401 2HE LYS 54 1HE LYS 54 -3.847 -18.154 12.865 402 1HZ LYS 54 1HZ LYS 54 -2.573 -15.763 12.881 403 2HZ LYS 54 2HZ LYS 54 -2.643 -16.123 11.226 404 3HZ LYS 54 3HZ LYS 54 -1.923 -17.212 12.302 405 H VAL 55 H VAL 55 -7.951 -14.768 10.250 406 HA VAL 55 HA VAL 55 -10.052 -14.117 8.431 407 HB VAL 55 HB VAL 55 -10.872 -13.114 11.063 408 1HG1 VAL 55 1HG1 VAL 55 -11.951 -13.177 8.608 409 2HG1 VAL 55 2HG1 VAL 55 -12.891 -13.008 10.092 410 3HG1 VAL 55 3HG1 VAL 55 -12.726 -14.587 9.323 411 1HG2 VAL 55 1HG2 VAL 55 -11.907 -15.098 11.876 412 2HG2 VAL 55 2HG2 VAL 55 -10.192 -15.433 11.635 413 3HG2 VAL 55 3HG2 VAL 55 -11.382 -16.011 10.464 414 H ASN 56 H ASN 56 -8.969 -12.786 11.511 415 HA ASN 56 HA ASN 56 -7.672 -10.965 12.008 416 1HB ASN 56 2HB ASN 56 -7.653 -10.126 9.125 417 2HB ASN 56 1HB ASN 56 -6.490 -9.740 10.391 418 1HD2 ASN 56 1HD2 ASN 56 -6.242 -12.352 11.439 419 2HD2 ASN 56 2HD2 ASN 56 -5.395 -13.314 10.272 420 H ASP 57 H ASP 57 -9.589 -10.331 13.061 421 HA ASP 57 HA ASP 57 -11.803 -9.098 12.023 422 1HB ASP 57 2HB ASP 57 -10.426 -8.367 14.612 423 2HB ASP 57 1HB ASP 57 -12.097 -8.020 14.207 424 H GLY 58 H GLY 58 -12.288 -7.163 11.175 425 1HA GLY 58 2HA GLY 58 -12.057 -4.945 10.545 426 2HA GLY 58 1HA GLY 58 -10.622 -4.845 11.569 427 H ASP 59 H ASP 59 -11.234 -7.183 9.022 428 HA ASP 59 HA ASP 59 -9.139 -5.949 7.375 429 1HB ASP 59 2HB ASP 59 -8.222 -7.914 8.665 430 2HB ASP 59 1HB ASP 59 -9.419 -8.927 7.860 431 H LEU 60 H LEU 60 -10.285 -5.266 5.630 432 HA LEU 60 HA LEU 60 -12.653 -6.438 4.691 433 1HB LEU 60 2HB LEU 60 -10.735 -4.896 2.963 434 2HB LEU 60 1HB LEU 60 -12.472 -5.026 2.785 435 HG LEU 60 HG LEU 60 -10.877 -3.286 4.591 436 1HD1 LEU 60 1HD1 LEU 60 -11.783 -2.182 2.752 437 2HD1 LEU 60 2HD1 LEU 60 -12.897 -1.814 4.058 438 3HD1 LEU 60 3HD1 LEU 60 -13.312 -3.045 2.866 439 1HD2 LEU 60 1HD2 LEU 60 -13.077 -2.961 5.905 440 2HD2 LEU 60 2HD2 LEU 60 -12.028 -4.313 6.330 441 3HD2 LEU 60 3HD2 LEU 60 -13.465 -4.587 5.346 442 H THR 61 H THR 61 -13.083 -7.992 3.148 443 HA THR 61 HA THR 61 -10.728 -9.384 2.071 444 HB THR 61 HB THR 61 -11.445 -11.399 2.780 445 HG1 THR 61 1HG THR 61 -13.665 -11.958 2.920 446 1HG2 THR 61 1HG2 THR 61 -12.297 -11.416 4.924 447 2HG2 THR 61 2HG2 THR 61 -13.313 -10.002 4.638 448 3HG2 THR 61 3HG2 THR 61 -11.569 -9.817 4.792 449 H ILE 62 H ILE 62 -10.650 -9.747 0.004 450 HA ILE 62 HA ILE 62 -13.085 -9.469 -1.638 451 HB ILE 62 HB ILE 62 -11.159 -8.836 -3.398 452 1HG1 ILE 62 2HG1 ILE 62 -9.437 -8.935 -1.546 453 2HG1 ILE 62 1HG1 ILE 62 -9.459 -7.446 -2.479 454 1HG2 ILE 62 1HG2 ILE 62 -13.292 -7.599 -2.280 455 2HG2 ILE 62 2HG2 ILE 62 -12.255 -6.887 -3.516 456 3HG2 ILE 62 3HG2 ILE 62 -11.986 -6.513 -1.815 457 1HD1 ILE 62 1HD1 ILE 62 -9.597 -6.326 -0.581 458 2HD1 ILE 62 2HD1 ILE 62 -9.738 -7.827 0.334 459 3HD1 ILE 62 3HD1 ILE 62 -11.184 -7.043 -0.300 460 H GLU 63 H GLU 63 -13.432 -11.722 -1.808 461 HA GLU 63 HA GLU 63 -11.460 -13.643 -2.291 462 1HB GLU 63 2HB GLU 63 -13.891 -13.992 -1.606 463 2HB GLU 63 1HB GLU 63 -14.277 -13.855 -3.313 464 1HG GLU 63 2HG GLU 63 -12.736 -15.744 -3.756 465 2HG GLU 63 1HG GLU 63 -12.518 -15.919 -2.016 466 H LYS 64 H LYS 64 -11.012 -14.879 -4.258 467 HA LYS 64 HA LYS 64 -11.791 -13.820 -6.788 468 1HB LYS 64 2HB LYS 64 -9.412 -12.759 -5.516 469 2HB LYS 64 1HB LYS 64 -9.057 -13.462 -7.091 470 1HG LYS 64 2HG LYS 64 -11.157 -12.071 -7.834 471 2HG LYS 64 1HG LYS 64 -10.773 -11.127 -6.395 472 1HD LYS 64 2HD LYS 64 -9.755 -10.243 -8.485 473 2HD LYS 64 1HD LYS 64 -8.577 -10.633 -7.234 474 1HE LYS 64 2HE LYS 64 -7.630 -12.260 -8.462 475 2HE LYS 64 1HE LYS 64 -9.178 -12.833 -9.079 476 1HZ LYS 64 1HZ LYS 64 -7.749 -11.914 -10.825 477 2HZ LYS 64 2HZ LYS 64 -7.757 -10.412 -10.049 478 3HZ LYS 64 3HZ LYS 64 -9.195 -11.047 -10.675 479 H SER 65 H SER 65 -9.814 -14.557 -8.405 480 HA SER 65 HA SER 65 -9.849 -16.605 -9.655 481 1HB SER 65 2HB SER 65 -7.565 -15.438 -8.660 482 2HB SER 65 1HB SER 65 -7.338 -17.154 -8.291 483 HG SER 65 HG SER 65 -8.001 -16.077 -10.834 484 H GLY 66 H GLY 66 -8.299 -17.572 -6.591 485 1HA GLY 66 2HA GLY 66 -10.120 -19.882 -6.514 486 2HA GLY 66 1HA GLY 66 -8.398 -20.186 -6.651 487 H VAL 67 H VAL 67 -9.242 -17.472 -4.731 488 HA VAL 67 HA VAL 67 -9.426 -19.005 -2.278 489 HB VAL 67 HB VAL 67 -7.505 -18.091 -1.196 490 1HG1 VAL 67 1HG1 VAL 67 -7.184 -20.060 -2.694 491 2HG1 VAL 67 2HG1 VAL 67 -5.722 -19.136 -2.348 492 3HG1 VAL 67 3HG1 VAL 67 -6.539 -18.949 -3.905 493 1HG2 VAL 67 1HG2 VAL 67 -6.452 -16.216 -1.781 494 2HG2 VAL 67 2HG2 VAL 67 -7.734 -15.984 -2.972 495 3HG2 VAL 67 3HG2 VAL 67 -6.227 -16.766 -3.441 496 H GLN 68 H GLN 68 -8.860 -16.989 -0.496 497 HA GLN 68 HA GLN 68 -10.799 -14.912 -1.216 498 1HB GLN 68 2HB GLN 68 -12.033 -15.662 0.472 499 2HB GLN 68 1HB GLN 68 -10.763 -16.742 1.014 500 1HG GLN 68 2HG GLN 68 -11.007 -15.472 2.852 501 2HG GLN 68 1HG GLN 68 -9.795 -14.504 2.033 502 1HE2 GLN 68 1HE2 GLN 68 -11.313 -13.254 0.137 503 2HE2 GLN 68 2HE2 GLN 68 -12.416 -12.179 0.912 504 H LEU 69 H LEU 69 -9.832 -13.022 -1.489 505 HA LEU 69 HA LEU 69 -7.213 -12.571 -0.331 506 1HB LEU 69 2HB LEU 69 -8.480 -11.821 -2.702 507 2HB LEU 69 1HB LEU 69 -8.349 -10.334 -1.787 508 HG LEU 69 HG LEU 69 -6.450 -10.579 -3.264 509 1HD1 LEU 69 1HD1 LEU 69 -6.110 -9.489 -1.101 510 2HD1 LEU 69 2HD1 LEU 69 -4.658 -10.317 -1.658 511 3HD1 LEU 69 3HD1 LEU 69 -5.654 -11.039 -0.397 512 1HD2 LEU 69 1HD2 LEU 69 -4.811 -12.446 -2.761 513 2HD2 LEU 69 2HD2 LEU 69 -6.290 -12.905 -3.604 514 3HD2 LEU 69 3HD2 LEU 69 -6.125 -13.223 -1.877 515 H VAL 70 H VAL 70 -6.726 -11.041 1.197 516 HA VAL 70 HA VAL 70 -8.851 -9.303 2.151 517 HB VAL 70 HB VAL 70 -9.167 -10.203 4.173 518 1HG1 VAL 70 1HG1 VAL 70 -7.978 -12.461 2.617 519 2HG1 VAL 70 2HG1 VAL 70 -9.662 -12.163 3.054 520 3HG1 VAL 70 3HG1 VAL 70 -8.512 -12.703 4.279 521 1HG2 VAL 70 1HG2 VAL 70 -6.792 -9.594 4.811 522 2HG2 VAL 70 2HG2 VAL 70 -6.362 -11.254 4.401 523 3HG2 VAL 70 3HG2 VAL 70 -7.528 -10.933 5.679 524 H ILE 71 H ILE 71 -8.108 -7.510 3.368 525 HA ILE 71 HA ILE 71 -5.222 -7.197 3.603 526 HB ILE 71 HB ILE 71 -4.977 -5.289 2.302 527 1HG1 ILE 71 2HG1 ILE 71 -6.904 -4.028 3.078 528 2HG1 ILE 71 1HG1 ILE 71 -6.857 -4.024 1.319 529 1HG2 ILE 71 1HG2 ILE 71 -5.409 -7.432 1.024 530 2HG2 ILE 71 2HG2 ILE 71 -5.574 -5.929 0.118 531 3HG2 ILE 71 3HG2 ILE 71 -7.011 -6.786 0.676 532 1HD1 ILE 71 1HD1 ILE 71 -9.046 -4.487 1.580 533 2HD1 ILE 71 2HD1 ILE 71 -8.810 -5.234 3.162 534 3HD1 ILE 71 3HD1 ILE 71 -8.437 -6.139 1.694 535 H ASP 72 H ASP 72 -4.600 -5.290 4.835 536 HA ASP 72 HA ASP 72 -6.473 -4.902 7.024 537 1HB ASP 72 2HB ASP 72 -4.559 -3.817 8.164 538 2HB ASP 72 1HB ASP 72 -4.171 -5.437 7.580 539 HA PRO 73 HA PRO 73 -8.305 -1.009 6.097 540 1HB PRO 73 2HB PRO 73 -7.238 -0.300 8.804 541 2HB PRO 73 1HB PRO 73 -8.844 -0.015 8.122 542 1HG PRO 73 2HG PRO 73 -8.420 -2.028 9.815 543 2HG PRO 73 1HG PRO 73 -9.512 -2.210 8.430 544 1HD PRO 73 2HD PRO 73 -6.811 -3.344 8.860 545 2HD PRO 73 1HD PRO 73 -8.140 -3.943 7.856 546 H MET 74 H MET 74 -5.070 -0.970 7.569 547 HA MET 74 HA MET 74 -4.398 1.646 6.925 548 1HB MET 74 2HB MET 74 -2.821 0.812 8.332 549 2HB MET 74 1HB MET 74 -2.955 -0.811 7.681 550 1HG MET 74 2HG MET 74 -1.243 -0.528 6.275 551 2HG MET 74 1HG MET 74 -1.664 1.141 5.899 552 1HE MET 74 1HE MET 74 -1.052 3.136 7.161 553 2HE MET 74 2HE MET 74 0.072 3.241 8.516 554 3HE MET 74 3HE MET 74 -1.578 2.676 8.781 555 H SER 75 H SER 75 -4.036 -1.338 5.093 556 HA SER 75 HA SER 75 -2.899 -0.006 2.818 557 1HB SER 75 2HB SER 75 -2.766 -2.552 3.586 558 2HB SER 75 1HB SER 75 -4.198 -2.684 2.564 559 HG SER 75 HG SER 75 -2.594 -2.984 1.157 560 H LEU 76 H LEU 76 -6.078 -0.932 3.924 561 HA LEU 76 HA LEU 76 -7.630 -0.970 1.713 562 1HB LEU 76 2HB LEU 76 -8.974 -1.258 3.465 563 2HB LEU 76 1HB LEU 76 -8.019 -0.215 4.490 564 HG LEU 76 HG LEU 76 -9.898 0.926 2.438 565 1HD1 LEU 76 1HD1 LEU 76 -11.281 -0.496 3.744 566 2HD1 LEU 76 2HD1 LEU 76 -11.493 1.142 4.365 567 3HD1 LEU 76 3HD1 LEU 76 -10.468 -0.006 5.227 568 1HD2 LEU 76 1HD2 LEU 76 -9.813 2.516 4.691 569 2HD2 LEU 76 2HD2 LEU 76 -8.910 2.782 3.199 570 3HD2 LEU 76 3HD2 LEU 76 -8.162 1.919 4.542 571 H GLN 77 H GLN 77 -6.469 1.969 3.301 572 HA GLN 77 HA GLN 77 -7.725 3.620 1.325 573 1HB GLN 77 2HB GLN 77 -7.423 5.353 2.722 574 2HB GLN 77 1HB GLN 77 -7.133 4.088 3.902 575 1HG GLN 77 2HG GLN 77 -4.678 4.753 2.568 576 2HG GLN 77 1HG GLN 77 -5.448 6.210 3.191 577 1HE2 GLN 77 1HE2 GLN 77 -5.271 2.874 4.326 578 2HE2 GLN 77 2HE2 GLN 77 -4.631 3.250 5.881 579 H TYR 78 H TYR 78 -4.686 2.067 1.671 580 HA TYR 78 HA TYR 78 -3.292 3.879 -0.086 581 1HB TYR 78 2HB TYR 78 -2.559 1.240 1.164 582 2HB TYR 78 1HB TYR 78 -1.516 2.045 -0.006 583 HD1 TYR 78 1HD TYR 78 -3.479 3.216 2.957 584 HD2 TYR 78 2HD TYR 78 0.303 2.992 1.028 585 HE1 TYR 78 1HE TYR 78 -2.475 4.505 4.791 586 HE2 TYR 78 2HE TYR 78 1.319 4.290 2.851 587 HH TYR 78 HH TYR 78 -0.556 5.902 5.225 588 H LEU 79 H LEU 79 -4.765 0.689 -0.269 589 HA LEU 79 HA LEU 79 -4.013 0.431 -3.061 590 1HB LEU 79 2HB LEU 79 -4.824 -1.821 -2.979 591 2HB LEU 79 1HB LEU 79 -3.735 -1.501 -1.658 592 HG LEU 79 HG LEU 79 -6.104 -2.839 -1.471 593 1HD1 LEU 79 1HD1 LEU 79 -4.699 -3.231 0.244 594 2HD1 LEU 79 2HD1 LEU 79 -5.783 -2.103 1.061 595 3HD1 LEU 79 3HD1 LEU 79 -4.248 -1.533 0.406 596 1HD2 LEU 79 1HD2 LEU 79 -7.599 -1.465 -0.101 597 2HD2 LEU 79 2HD2 LEU 79 -7.482 -0.872 -1.754 598 3HD2 LEU 79 3HD2 LEU 79 -6.612 -0.051 -0.457 599 H ILE 80 H ILE 80 -6.689 1.574 -1.363 600 HA ILE 80 HA ILE 80 -9.013 1.072 -2.253 601 HB ILE 80 HB ILE 80 -9.679 3.338 -2.594 602 1HG1 ILE 80 2HG1 ILE 80 -8.034 4.049 -4.228 603 2HG1 ILE 80 1HG1 ILE 80 -8.018 5.161 -2.862 604 1HG2 ILE 80 1HG2 ILE 80 -9.136 2.809 -0.331 605 2HG2 ILE 80 2HG2 ILE 80 -8.582 4.449 -0.668 606 3HG2 ILE 80 3HG2 ILE 80 -7.427 3.120 -0.626 607 1HD1 ILE 80 1HD1 ILE 80 -6.045 3.974 -1.982 608 2HD1 ILE 80 2HD1 ILE 80 -5.772 4.711 -3.560 609 3HD1 ILE 80 3HD1 ILE 80 -6.043 2.976 -3.429 610 H GLY 81 H GLY 81 -10.005 0.342 -3.888 611 1HA GLY 81 2HA GLY 81 -10.323 -0.490 -6.018 612 2HA GLY 81 1HA GLY 81 -10.599 1.223 -6.284 613 H GLY 82 H GLY 82 -7.401 -0.190 -5.667 614 1HA GLY 82 2HA GLY 82 -6.510 0.912 -8.211 615 2HA GLY 82 1HA GLY 82 -5.490 0.158 -6.989 616 H THR 83 H THR 83 -4.413 -1.145 -8.516 617 HA THR 83 HA THR 83 -5.865 -3.566 -9.202 618 HB THR 83 HB THR 83 -4.646 -1.742 -11.266 619 HG1 THR 83 1HG THR 83 -7.116 -3.104 -11.024 620 1HG2 THR 83 1HG2 THR 83 -3.758 -3.503 -12.298 621 2HG2 THR 83 2HG2 THR 83 -5.422 -3.955 -12.670 622 3HG2 THR 83 3HG2 THR 83 -4.610 -4.654 -11.266 623 H VAL 84 H VAL 84 -4.574 -5.348 -9.029 624 HA VAL 84 HA VAL 84 -1.672 -4.888 -8.947 625 HB VAL 84 HB VAL 84 -1.528 -5.422 -6.810 626 1HG1 VAL 84 1HG1 VAL 84 -3.909 -4.624 -6.689 627 2HG1 VAL 84 2HG1 VAL 84 -3.354 -5.645 -5.368 628 3HG1 VAL 84 3HG1 VAL 84 -4.378 -6.321 -6.633 629 1HG2 VAL 84 1HG2 VAL 84 -2.140 -7.747 -6.039 630 2HG2 VAL 84 2HG2 VAL 84 -1.013 -7.638 -7.390 631 3HG2 VAL 84 3HG2 VAL 84 -2.704 -8.037 -7.685 632 H ASP 85 H ASP 85 -0.349 -6.680 -9.376 633 HA ASP 85 HA ASP 85 -1.548 -9.089 -10.402 634 1HB ASP 85 2HB ASP 85 -0.145 -8.847 -12.559 635 2HB ASP 85 1HB ASP 85 -1.665 -7.957 -12.451 636 H TYR 86 H TYR 86 -0.109 -10.836 -10.422 637 HA TYR 86 HA TYR 86 2.493 -10.231 -9.186 638 1HB TYR 86 2HB TYR 86 0.435 -11.875 -8.292 639 2HB TYR 86 1HB TYR 86 1.642 -12.990 -8.916 640 HD1 TYR 86 1HD TYR 86 4.159 -12.156 -8.191 641 HD2 TYR 86 2HD TYR 86 0.558 -11.482 -6.038 642 HE1 TYR 86 1HE TYR 86 5.453 -11.921 -6.118 643 HE2 TYR 86 2HE TYR 86 1.838 -11.241 -3.952 644 HH TYR 86 HH TYR 86 3.973 -11.851 -3.022 645 H THR 87 H THR 87 4.322 -11.262 -9.881 646 HA THR 87 HA THR 87 4.140 -13.057 -12.165 647 HB THR 87 HB THR 87 5.800 -10.533 -12.164 648 HG1 THR 87 1HG THR 87 3.615 -11.313 -13.793 649 1HG2 THR 87 1HG2 THR 87 6.757 -11.124 -14.154 650 2HG2 THR 87 2HG2 THR 87 5.487 -12.283 -14.547 651 3HG2 THR 87 3HG2 THR 87 6.702 -12.684 -13.330 652 H GLU 88 H GLU 88 4.869 -14.679 -10.787 653 HA GLU 88 HA GLU 88 7.563 -14.326 -9.669 654 1HB GLU 88 2HB GLU 88 5.691 -16.599 -9.059 655 2HB GLU 88 1HB GLU 88 7.090 -16.071 -8.140 656 1HG GLU 88 2HG GLU 88 5.917 -14.010 -7.558 657 2HG GLU 88 1HG GLU 88 4.511 -14.558 -8.467 658 H GLY 89 H GLY 89 8.995 -16.219 -9.730 659 1HA GLY 89 2HA GLY 89 9.388 -18.417 -10.834 660 2HA GLY 89 1HA GLY 89 8.664 -17.700 -12.269 661 H LEU 90 H LEU 90 9.820 -15.832 -13.227 662 HA LEU 90 HA LEU 90 12.409 -16.448 -13.907 663 1HB LEU 90 2HB LEU 90 11.297 -14.971 -15.314 664 2HB LEU 90 1HB LEU 90 10.840 -13.895 -14.012 665 HG LEU 90 HG LEU 90 13.036 -12.970 -13.900 666 1HD1 LEU 90 1HD1 LEU 90 14.517 -14.746 -14.100 667 2HD1 LEU 90 2HD1 LEU 90 14.777 -13.832 -15.587 668 3HD1 LEU 90 3HD1 LEU 90 13.797 -15.306 -15.612 669 1HD2 LEU 90 1HD2 LEU 90 13.399 -12.436 -16.441 670 2HD2 LEU 90 2HD2 LEU 90 11.984 -11.831 -15.587 671 3HD2 LEU 90 3HD2 LEU 90 11.844 -13.252 -16.611 672 H GLU 91 H GLU 91 11.945 -13.363 -12.224 673 HA GLU 91 HA GLU 91 14.514 -13.603 -10.986 674 1HB GLU 91 2HB GLU 91 12.354 -11.553 -10.468 675 2HB GLU 91 1HB GLU 91 14.059 -11.414 -10.043 676 1HG GLU 91 2HG GLU 91 14.280 -11.824 -12.684 677 2HG GLU 91 1HG GLU 91 12.706 -11.033 -12.634 678 H GLY 92 H GLY 92 11.564 -14.913 -10.225 679 1HA GLY 92 2HA GLY 92 11.739 -16.375 -8.190 680 2HA GLY 92 1HA GLY 92 12.175 -14.898 -7.333 681 H SER 93 H SER 93 10.559 -13.191 -7.225 682 HA SER 93 HA SER 93 7.819 -13.931 -7.803 683 1HB SER 93 2HB SER 93 7.053 -13.579 -5.490 684 2HB SER 93 1HB SER 93 8.185 -14.928 -5.592 685 HG SER 93 HG SER 93 8.919 -12.284 -4.869 686 H ARG 94 H ARG 94 7.802 -12.145 -9.186 687 HA ARG 94 HA ARG 94 8.416 -9.519 -8.119 688 1HB ARG 94 2HB ARG 94 7.190 -10.061 -10.807 689 2HB ARG 94 1HB ARG 94 8.179 -8.695 -10.312 690 1HG ARG 94 2HG ARG 94 10.064 -9.730 -10.868 691 2HG ARG 94 1HG ARG 94 9.586 -11.217 -10.038 692 1HD ARG 94 2HD ARG 94 9.335 -12.144 -12.044 693 2HD ARG 94 1HD ARG 94 7.937 -11.095 -12.273 694 HE ARG 94 HE ARG 94 10.183 -9.619 -12.966 695 1HH1 ARG 94 1HH1 ARG 94 8.542 -12.494 -14.069 696 2HH1 ARG 94 2HH1 ARG 94 9.030 -12.292 -15.718 697 1HH2 ARG 94 1HH2 ARG 94 10.825 -9.350 -15.133 698 2HH2 ARG 94 2HH2 ARG 94 10.328 -10.507 -16.322 699 H PHE 95 H PHE 95 6.963 -7.938 -7.619 700 HA PHE 95 HA PHE 95 4.116 -8.523 -8.015 701 1HB PHE 95 2HB PHE 95 4.958 -9.078 -5.643 702 2HB PHE 95 1HB PHE 95 5.100 -7.335 -5.429 703 HD1 PHE 95 1HD PHE 95 2.502 -9.240 -7.265 704 HD2 PHE 95 2HD PHE 95 3.420 -6.824 -3.880 705 HE1 PHE 95 1HE PHE 95 0.113 -9.118 -6.709 706 HE2 PHE 95 2HE PHE 95 1.029 -6.707 -3.316 707 HZ PHE 95 HZ PHE 95 -0.625 -7.848 -4.739 708 H THR 96 H THR 96 2.980 -6.855 -8.771 709 HA THR 96 HA THR 96 3.951 -4.134 -8.311 710 HB THR 96 HB THR 96 3.120 -4.846 -11.092 711 HG1 THR 96 1HG THR 96 5.768 -5.092 -10.110 712 1HG2 THR 96 1HG2 THR 96 3.388 -2.548 -10.848 713 2HG2 THR 96 2HG2 THR 96 4.900 -3.094 -11.577 714 3HG2 THR 96 3HG2 THR 96 4.834 -2.729 -9.852 715 H VAL 97 H VAL 97 2.361 -2.861 -7.724 716 HA VAL 97 HA VAL 97 -0.390 -3.539 -8.553 717 HB VAL 97 HB VAL 97 0.230 -2.024 -6.033 718 1HG1 VAL 97 1HG1 VAL 97 -2.127 -3.468 -7.158 719 2HG1 VAL 97 2HG1 VAL 97 -2.026 -1.846 -6.470 720 3HG1 VAL 97 3HG1 VAL 97 -1.957 -3.259 -5.416 721 1HG2 VAL 97 1HG2 VAL 97 0.929 -4.741 -6.511 722 2HG2 VAL 97 2HG2 VAL 97 -0.422 -4.700 -5.379 723 3HG2 VAL 97 3HG2 VAL 97 1.054 -3.810 -5.021 724 H ASN 98 H ASN 98 -1.886 -1.575 -8.434 725 HA ASN 98 HA ASN 98 -0.514 0.940 -9.007 726 1HB ASN 98 2HB ASN 98 -2.541 -0.277 -10.897 727 2HB ASN 98 1HB ASN 98 -1.747 1.289 -11.083 728 1HD2 ASN 98 1HD2 ASN 98 -1.731 -1.759 -12.175 729 2HD2 ASN 98 2HD2 ASN 98 -0.081 -1.912 -12.649 730 H ASN 99 H ASN 99 -1.963 2.795 -9.046 731 HA ASN 99 HA ASN 99 -4.673 2.703 -8.383 732 1HB ASN 99 2HB ASN 99 -4.269 3.607 -5.936 733 2HB ASN 99 1HB ASN 99 -4.378 1.875 -6.252 734 1HD2 ASN 99 1HD2 ASN 99 -3.231 1.768 -4.199 735 2HD2 ASN 99 2HD2 ASN 99 -1.508 1.876 -4.199 736 HA PRO 100 HA PRO 100 -4.270 7.003 -9.216 737 1HB PRO 100 2HB PRO 100 -6.321 8.098 -7.838 738 2HB PRO 100 1HB PRO 100 -6.567 7.090 -9.273 739 1HG PRO 100 2HG PRO 100 -6.785 6.353 -6.378 740 2HG PRO 100 1HG PRO 100 -7.855 5.923 -7.726 741 1HD PRO 100 2HD PRO 100 -5.979 4.228 -6.733 742 2HD PRO 100 1HD PRO 100 -6.480 4.218 -8.435 743 H ASN 101 H ASN 101 -4.795 6.347 -5.768 744 HA ASN 101 HA ASN 101 -3.880 8.787 -4.773 745 1HB ASN 101 2HB ASN 101 -3.972 7.823 -2.665 746 2HB ASN 101 1HB ASN 101 -5.070 6.792 -3.582 747 1HD2 ASN 101 1HD2 ASN 101 -3.380 5.153 -4.922 748 2HD2 ASN 101 2HD2 ASN 101 -2.468 4.192 -3.809 749 H ALA 102 H ALA 102 -2.103 6.082 -6.020 750 HA ALA 102 HA ALA 102 0.404 7.381 -5.176 751 1HB ALA 102 1HB ALA 102 1.281 4.929 -5.672 752 2HB ALA 102 2HB ALA 102 -0.387 4.525 -5.268 753 3HB ALA 102 3HB ALA 102 0.618 5.388 -4.105 754 H THR 103 H THR 103 -0.811 8.310 -7.435 755 HA THR 103 HA THR 103 1.142 7.571 -9.458 756 HB THR 103 HB THR 103 -0.800 7.575 -11.179 757 HG1 THR 103 1HG THR 103 -2.218 6.750 -8.871 758 1HG2 THR 103 1HG2 THR 103 0.390 5.566 -10.945 759 2HG2 THR 103 2HG2 THR 103 -1.310 5.144 -10.732 760 3HG2 THR 103 3HG2 THR 103 -0.253 5.282 -9.328 761 H SER 104 H SER 104 1.801 9.728 -8.663 762 HA SER 104 HA SER 104 0.657 11.783 -10.372 763 1HB SER 104 2HB SER 104 1.100 12.469 -7.477 764 2HB SER 104 1HB SER 104 0.156 13.337 -8.689 765 HG SER 104 HG SER 104 -1.379 11.682 -8.609 766 H THR 105 H THR 105 2.060 13.573 -10.722 767 HA THR 105 HA THR 105 4.781 13.304 -9.665 768 HB THR 105 HB THR 105 4.538 13.984 -12.547 769 HG1 THR 105 1HG THR 105 4.235 11.926 -13.177 770 1HG2 THR 105 1HG2 THR 105 6.743 13.958 -11.844 771 2HG2 THR 105 2HG2 THR 105 6.531 12.372 -12.584 772 3HG2 THR 105 3HG2 THR 105 6.507 12.536 -10.829 773 H CYS 106 H CYS 106 4.131 15.141 -8.396 774 HA CYS 106 HA CYS 106 3.974 17.648 -9.932 775 1HB CYS 106 2HB CYS 106 2.153 16.837 -8.164 776 2HB CYS 106 1HB CYS 106 3.281 17.578 -7.035 777 HG CYS 106 HG CYS 106 1.875 19.168 -9.312 778 H GLY 107 H GLY 107 6.140 18.086 -10.183 779 1HA GLY 107 2HA GLY 107 7.751 18.282 -7.719 780 2HA GLY 107 1HA GLY 107 8.406 18.112 -9.346 781 H CYS 108 H CYS 108 5.775 20.297 -9.037 782 HA CYS 108 HA CYS 108 7.115 22.625 -8.233 783 1HB CYS 108 2HB CYS 108 8.156 21.901 -10.588 784 2HB CYS 108 1HB CYS 108 6.749 22.778 -11.182 785 HG CYS 108 HG CYS 108 8.695 24.464 -10.993 786 H GLY 109 H GLY 109 5.207 23.122 -7.221 787 1HA GLY 109 2HA GLY 109 3.327 24.685 -8.498 788 2HA GLY 109 1HA GLY 109 2.674 23.050 -8.537 789 H SER 110 H SER 110 1.028 23.183 -7.114 790 HA SER 110 HA SER 110 1.703 24.009 -4.367 791 1HB SER 110 2HB SER 110 -0.007 25.403 -5.841 792 2HB SER 110 1HB SER 110 -1.123 24.137 -5.329 793 HG SER 110 HG SER 110 -0.854 26.116 -3.955 794 H SER 111 H SER 111 1.665 22.381 -2.982 795 HA SER 111 HA SER 111 -0.487 20.512 -2.869 796 1HB SER 111 2HB SER 111 1.359 18.567 -3.066 797 2HB SER 111 1HB SER 111 0.410 19.120 -4.444 798 HG SER 111 HG SER 111 2.916 19.029 -4.453 799 H PHE 112 H PHE 112 -0.260 19.000 -1.059 800 HA PHE 112 HA PHE 112 0.200 18.548 1.125 801 1HB PHE 112 2HB PHE 112 2.943 19.667 0.526 802 2HB PHE 112 1HB PHE 112 2.511 18.576 1.837 803 HD1 PHE 112 1HD PHE 112 1.702 16.249 1.242 804 HD2 PHE 112 2HD PHE 112 3.587 18.840 -1.559 805 HE1 PHE 112 1HE PHE 112 2.216 14.318 -0.193 806 HE2 PHE 112 2HE PHE 112 4.104 16.914 -3.000 807 HZ PHE 112 HZ PHE 112 3.418 14.649 -2.317 808 H SER 113 H SER 113 1.568 19.741 3.104 809 HA SER 113 HA SER 113 0.764 22.564 3.061 810 1HB SER 113 2HB SER 113 0.170 20.571 5.259 811 2HB SER 113 1HB SER 113 -0.040 22.315 5.411 812 HG SER 113 HG SER 113 -1.969 21.150 4.807 813 H ILE 114 H ILE 114 1.802 23.852 4.737 814 HA ILE 114 HA ILE 114 4.538 23.665 4.752 815 HB ILE 114 HB ILE 114 4.582 25.344 6.455 816 1HG1 ILE 114 2HG1 ILE 114 2.977 24.239 8.015 817 2HG1 ILE 114 1HG1 ILE 114 2.671 25.960 7.807 818 1HG2 ILE 114 1HG2 ILE 114 3.705 25.900 4.170 819 2HG2 ILE 114 2HG2 ILE 114 3.246 27.023 5.450 820 3HG2 ILE 114 3HG2 ILE 114 2.083 25.836 4.860 821 1HD1 ILE 114 1HD1 ILE 114 0.961 25.218 6.036 822 2HD1 ILE 114 2HD1 ILE 114 0.562 25.015 7.741 823 3HD1 ILE 114 3HD1 ILE 114 1.100 23.630 6.792 Start of MODEL 4 1 1H MET 1 1HT MET 1 -20.993 -12.242 6.966 2 2H MET 1 2HT MET 1 -19.579 -13.198 7.076 3 3H MET 1 3HT MET 1 -20.881 -13.697 6.075 4 HA MET 1 HA MET 1 -19.341 -11.220 5.700 5 1HB MET 1 2HB MET 1 -18.997 -14.014 4.641 6 2HB MET 1 1HB MET 1 -18.460 -12.630 3.699 7 1HG MET 1 2HG MET 1 -17.510 -12.386 6.386 8 2HG MET 1 1HG MET 1 -17.095 -13.977 5.750 9 1HE MET 1 1HE MET 1 -15.629 -9.901 4.264 10 2HE MET 1 2HE MET 1 -15.858 -10.320 5.960 11 3HE MET 1 3HE MET 1 -17.250 -10.236 4.877 12 H ILE 2 H ILE 2 -19.448 -10.952 3.108 13 HA ILE 2 HA ILE 2 -22.305 -10.797 2.512 14 HB ILE 2 HB ILE 2 -20.543 -9.465 0.612 15 1HG1 ILE 2 2HG1 ILE 2 -19.117 -9.120 2.557 16 2HG1 ILE 2 1HG1 ILE 2 -19.913 -7.611 2.112 17 1HG2 ILE 2 1HG2 ILE 2 -23.079 -9.027 2.013 18 2HG2 ILE 2 2HG2 ILE 2 -22.609 -8.641 0.357 19 3HG2 ILE 2 3HG2 ILE 2 -22.155 -7.562 1.674 20 1HD1 ILE 2 1HD1 ILE 2 -20.265 -7.519 4.333 21 2HD1 ILE 2 2HD1 ILE 2 -20.199 -9.271 4.528 22 3HD1 ILE 2 3HD1 ILE 2 -21.667 -8.506 3.913 23 H ASP 3 H ASP 3 -22.115 -10.469 -0.239 24 HA ASP 3 HA ASP 3 -21.077 -13.049 -1.188 25 1HB ASP 3 2HB ASP 3 -23.127 -13.345 -2.540 26 2HB ASP 3 1HB ASP 3 -23.452 -13.348 -0.807 27 H ASP 4 H ASP 4 -21.695 -9.700 -1.784 28 HA ASP 4 HA ASP 4 -21.163 -9.783 -4.603 29 1HB ASP 4 2HB ASP 4 -22.575 -8.032 -3.439 30 2HB ASP 4 1HB ASP 4 -21.077 -7.376 -2.779 31 H MET 5 H MET 5 -19.374 -8.823 -1.707 32 HA MET 5 HA MET 5 -17.165 -8.464 -1.317 33 1HB MET 5 2HB MET 5 -16.847 -10.361 -3.647 34 2HB MET 5 1HB MET 5 -15.603 -9.963 -2.470 35 1HG MET 5 2HG MET 5 -18.158 -10.978 -1.400 36 2HG MET 5 1HG MET 5 -17.156 -12.126 -2.296 37 1HE MET 5 1HE MET 5 -17.318 -9.492 0.389 38 2HE MET 5 2HE MET 5 -15.612 -9.141 0.118 39 3HE MET 5 3HE MET 5 -16.117 -9.957 1.595 40 H ALA 6 H ALA 6 -14.932 -8.159 -2.831 41 HA ALA 6 HA ALA 6 -13.822 -6.784 -4.281 42 1HB ALA 6 1HB ALA 6 -15.644 -7.573 -5.891 43 2HB ALA 6 2HB ALA 6 -14.806 -6.070 -6.274 44 3HB ALA 6 3HB ALA 6 -16.422 -6.025 -5.567 45 H VAL 7 H VAL 7 -13.809 -5.739 -2.057 46 HA VAL 7 HA VAL 7 -15.396 -3.354 -1.813 47 HB VAL 7 HB VAL 7 -13.233 -3.580 0.134 48 1HG1 VAL 7 1HG1 VAL 7 -15.340 -2.185 0.232 49 2HG1 VAL 7 2HG1 VAL 7 -14.960 -3.123 1.677 50 3HG1 VAL 7 3HG1 VAL 7 -16.202 -3.685 0.559 51 1HG2 VAL 7 1HG2 VAL 7 -13.389 -5.942 -0.159 52 2HG2 VAL 7 2HG2 VAL 7 -15.157 -5.881 -0.176 53 3HG2 VAL 7 3HG2 VAL 7 -14.276 -5.534 1.312 54 HA PRO 8 HA PRO 8 -11.445 -1.023 -2.590 55 1HB PRO 8 2HB PRO 8 -9.219 -1.680 -1.391 56 2HB PRO 8 1HB PRO 8 -10.674 -1.499 -0.407 57 1HG PRO 8 2HG PRO 8 -9.310 -3.992 -1.311 58 2HG PRO 8 1HG PRO 8 -10.156 -3.665 0.212 59 1HD PRO 8 2HD PRO 8 -11.210 -4.873 -2.185 60 2HD PRO 8 1HD PRO 8 -12.058 -4.556 -0.660 61 H LEU 9 H LEU 9 -8.536 -2.223 -2.710 62 HA LEU 9 HA LEU 9 -8.146 -2.163 -5.449 63 1HB LEU 9 2HB LEU 9 -6.460 -1.815 -3.635 64 2HB LEU 9 1HB LEU 9 -6.449 -3.545 -3.369 65 HG LEU 9 HG LEU 9 -4.701 -3.620 -4.750 66 1HD1 LEU 9 1HD1 LEU 9 -6.164 -4.528 -6.348 67 2HD1 LEU 9 2HD1 LEU 9 -5.140 -3.383 -7.204 68 3HD1 LEU 9 3HD1 LEU 9 -6.788 -2.940 -6.786 69 1HD2 LEU 9 1HD2 LEU 9 -4.184 -1.643 -6.316 70 2HD2 LEU 9 2HD2 LEU 9 -4.026 -1.416 -4.575 71 3HD2 LEU 9 3HD2 LEU 9 -5.449 -0.812 -5.418 72 H THR 10 H THR 10 -8.448 -3.591 -7.023 73 HA THR 10 HA THR 10 -8.960 -6.395 -6.335 74 HB THR 10 HB THR 10 -9.537 -4.803 -8.836 75 HG1 THR 10 1HG THR 10 -11.699 -5.364 -8.266 76 1HG2 THR 10 1HG2 THR 10 -10.872 -7.239 -8.995 77 2HG2 THR 10 2HG2 THR 10 -9.210 -7.643 -8.553 78 3HG2 THR 10 3HG2 THR 10 -9.530 -6.682 -9.998 79 H PHE 11 H PHE 11 -7.358 -7.796 -6.623 80 HA PHE 11 HA PHE 11 -4.988 -7.001 -8.105 81 1HB PHE 11 2HB PHE 11 -3.908 -8.847 -7.066 82 2HB PHE 11 1HB PHE 11 -4.902 -8.088 -5.832 83 HD1 PHE 11 1HD PHE 11 -7.079 -9.152 -5.222 84 HD2 PHE 11 2HD PHE 11 -4.189 -11.019 -7.699 85 HE1 PHE 11 1HE PHE 11 -8.141 -11.335 -4.802 86 HE2 PHE 11 2HE PHE 11 -5.221 -13.200 -7.290 87 HZ PHE 11 HZ PHE 11 -7.208 -13.362 -5.842 88 H THR 12 H THR 12 -3.913 -9.082 -9.232 89 HA THR 12 HA THR 12 -5.695 -9.647 -11.449 90 HB THR 12 HB THR 12 -3.218 -9.037 -11.635 91 HG1 THR 12 1HG THR 12 -3.237 -11.203 -13.169 92 1HG2 THR 12 1HG2 THR 12 -1.601 -10.786 -11.549 93 2HG2 THR 12 2HG2 THR 12 -2.830 -11.967 -11.104 94 3HG2 THR 12 3HG2 THR 12 -2.397 -10.686 -9.978 95 H ASP 13 H ASP 13 -4.679 -12.152 -12.268 96 HA ASP 13 HA ASP 13 -6.191 -13.887 -10.483 97 1HB ASP 13 2HB ASP 13 -4.996 -14.404 -13.211 98 2HB ASP 13 1HB ASP 13 -6.027 -15.518 -12.323 99 H ALA 14 H ALA 14 -2.981 -13.600 -11.878 100 HA ALA 14 HA ALA 14 -1.896 -15.968 -10.879 101 1HB ALA 14 1HB ALA 14 0.251 -15.051 -11.400 102 2HB ALA 14 2HB ALA 14 -0.381 -13.405 -11.349 103 3HB ALA 14 3HB ALA 14 -0.885 -14.503 -12.633 104 H ALA 15 H ALA 15 -2.056 -12.723 -9.425 105 HA ALA 15 HA ALA 15 -0.447 -13.176 -7.209 106 1HB ALA 15 1HB ALA 15 -1.128 -11.135 -6.617 107 2HB ALA 15 2HB ALA 15 -2.799 -11.670 -6.464 108 3HB ALA 15 3HB ALA 15 -2.177 -11.148 -8.035 109 H ALA 16 H ALA 16 -3.684 -14.202 -7.947 110 HA ALA 16 HA ALA 16 -4.323 -15.270 -5.361 111 1HB ALA 16 1HB ALA 16 -6.030 -14.700 -7.082 112 2HB ALA 16 2HB ALA 16 -6.163 -16.356 -6.502 113 3HB ALA 16 3HB ALA 16 -5.415 -16.028 -8.067 114 H ASN 17 H ASN 17 -3.057 -16.468 -8.393 115 HA ASN 17 HA ASN 17 -2.954 -19.179 -7.900 116 1HB ASN 17 2HB ASN 17 -1.302 -17.347 -9.608 117 2HB ASN 17 1HB ASN 17 -0.918 -19.054 -9.505 118 1HD2 ASN 17 1HD2 ASN 17 -3.849 -17.084 -9.836 119 2HD2 ASN 17 2HD2 ASN 17 -4.474 -17.949 -11.184 120 H LYS 18 H LYS 18 -0.406 -16.742 -7.268 121 HA LYS 18 HA LYS 18 1.494 -18.515 -6.267 122 1HB LYS 18 2HB LYS 18 2.618 -16.627 -5.361 123 2HB LYS 18 1HB LYS 18 1.854 -16.090 -6.848 124 1HG LYS 18 2HG LYS 18 0.783 -14.486 -5.768 125 2HG LYS 18 1HG LYS 18 0.062 -15.657 -4.662 126 1HD LYS 18 2HD LYS 18 2.429 -15.598 -3.541 127 2HD LYS 18 1HD LYS 18 2.551 -14.040 -4.363 128 1HE LYS 18 2HE LYS 18 0.679 -13.176 -3.205 129 2HE LYS 18 1HE LYS 18 0.212 -14.773 -2.620 130 1HZ LYS 18 1HZ LYS 18 2.329 -12.988 -1.664 131 2HZ LYS 18 2HZ LYS 18 2.573 -14.655 -1.528 132 3HZ LYS 18 3HZ LYS 18 1.237 -13.933 -0.782 133 H VAL 19 H VAL 19 -1.347 -17.136 -4.809 134 HA VAL 19 HA VAL 19 -0.686 -17.884 -2.124 135 HB VAL 19 HB VAL 19 -3.345 -17.149 -3.354 136 1HG1 VAL 19 1HG1 VAL 19 -2.606 -18.039 -0.675 137 2HG1 VAL 19 2HG1 VAL 19 -4.191 -17.943 -1.438 138 3HG1 VAL 19 3HG1 VAL 19 -3.486 -16.511 -0.685 139 1HG2 VAL 19 1HG2 VAL 19 -1.500 -15.420 -3.407 140 2HG2 VAL 19 2HG2 VAL 19 -1.585 -15.411 -1.646 141 3HG2 VAL 19 3HG2 VAL 19 -2.992 -14.943 -2.598 142 H LYS 20 H LYS 20 -3.375 -18.950 -4.178 143 HA LYS 20 HA LYS 20 -4.030 -21.251 -2.805 144 1HB LYS 20 2HB LYS 20 -5.038 -22.007 -4.951 145 2HB LYS 20 1HB LYS 20 -5.523 -20.397 -4.455 146 1HG LYS 20 2HG LYS 20 -5.080 -19.928 -6.615 147 2HG LYS 20 1HG LYS 20 -3.434 -19.769 -6.004 148 1HD LYS 20 2HD LYS 20 -3.512 -21.131 -8.034 149 2HD LYS 20 1HD LYS 20 -2.947 -22.061 -6.644 150 1HE LYS 20 2HE LYS 20 -4.938 -23.260 -6.479 151 2HE LYS 20 1HE LYS 20 -5.843 -22.067 -7.410 152 1HZ LYS 20 1HZ LYS 20 -4.058 -22.850 -9.216 153 2HZ LYS 20 2HZ LYS 20 -5.574 -23.576 -9.035 154 3HZ LYS 20 3HZ LYS 20 -4.210 -24.285 -8.329 155 H SER 21 H SER 21 -1.315 -20.703 -4.841 156 HA SER 21 HA SER 21 -0.982 -23.493 -5.438 157 1HB SER 21 2HB SER 21 -0.400 -21.811 -7.128 158 2HB SER 21 1HB SER 21 0.848 -21.170 -6.056 159 HG SER 21 HG SER 21 0.739 -23.752 -7.236 160 H LEU 22 H LEU 22 0.751 -21.070 -3.507 161 HA LEU 22 HA LEU 22 2.601 -23.080 -2.586 162 1HB LEU 22 2HB LEU 22 3.920 -21.397 -1.927 163 2HB LEU 22 1HB LEU 22 2.864 -20.417 -2.918 164 HG LEU 22 HG LEU 22 3.342 -19.339 -0.795 165 1HD1 LEU 22 1HD1 LEU 22 1.311 -18.663 -1.652 166 2HD1 LEU 22 2HD1 LEU 22 0.919 -19.127 0.001 167 3HD1 LEU 22 3HD1 LEU 22 0.544 -20.210 -1.333 168 1HD2 LEU 22 1HD2 LEU 22 3.192 -20.280 1.228 169 2HD2 LEU 22 2HD2 LEU 22 3.302 -21.796 0.334 170 3HD2 LEU 22 3HD2 LEU 22 1.727 -21.180 0.836 171 H ILE 23 H ILE 23 -0.388 -21.704 -1.525 172 HA ILE 23 HA ILE 23 -0.137 -22.468 1.194 173 HB ILE 23 HB ILE 23 -2.566 -22.125 1.303 174 1HG1 ILE 23 2HG1 ILE 23 -3.269 -20.885 -0.997 175 2HG1 ILE 23 1HG1 ILE 23 -2.206 -22.138 -1.620 176 1HG2 ILE 23 1HG2 ILE 23 -0.597 -20.160 0.397 177 2HG2 ILE 23 2HG2 ILE 23 -1.680 -20.117 1.783 178 3HG2 ILE 23 3HG2 ILE 23 -2.273 -19.671 0.182 179 1HD1 ILE 23 1HD1 ILE 23 -3.855 -23.607 -1.465 180 2HD1 ILE 23 2HD1 ILE 23 -4.916 -22.348 -0.830 181 3HD1 ILE 23 3HD1 ILE 23 -3.946 -23.320 0.278 182 H SER 24 H SER 24 -1.761 -23.831 -1.622 183 HA SER 24 HA SER 24 -2.799 -26.116 -0.416 184 1HB SER 24 2HB SER 24 -2.123 -25.295 -3.187 185 2HB SER 24 1HB SER 24 -2.285 -27.022 -2.901 186 HG SER 24 HG SER 24 -4.359 -26.752 -2.860 187 H GLU 25 H GLU 25 0.377 -25.203 -1.330 188 HA GLU 25 HA GLU 25 1.494 -27.835 -1.287 189 1HB GLU 25 2HB GLU 25 2.307 -25.349 -2.253 190 2HB GLU 25 1HB GLU 25 3.411 -25.691 -0.928 191 1HG GLU 25 2HG GLU 25 3.626 -28.019 -2.073 192 2HG GLU 25 1HG GLU 25 3.022 -27.155 -3.487 193 H GLU 26 H GLU 26 0.704 -25.409 1.026 194 HA GLU 26 HA GLU 26 2.613 -26.307 3.000 195 1HB GLU 26 2HB GLU 26 0.250 -24.453 3.172 196 2HB GLU 26 1HB GLU 26 1.314 -24.810 4.524 197 1HG GLU 26 2HG GLU 26 3.171 -23.813 3.408 198 2HG GLU 26 1HG GLU 26 2.240 -23.638 1.915 199 H GLU 27 H GLU 27 -0.450 -27.233 1.886 200 HA GLU 27 HA GLU 27 -1.703 -29.070 2.429 201 1HB GLU 27 2HB GLU 27 0.596 -29.743 3.681 202 2HB GLU 27 1HB GLU 27 -0.450 -29.517 5.076 203 1HG GLU 27 2HG GLU 27 -2.032 -31.128 4.137 204 2HG GLU 27 1HG GLU 27 -0.972 -31.360 2.742 205 H ASN 28 H ASN 28 -1.654 -26.158 3.603 206 HA ASN 28 HA ASN 28 -2.999 -26.171 6.050 207 1HB ASN 28 2HB ASN 28 -3.889 -24.140 4.071 208 2HB ASN 28 1HB ASN 28 -3.392 -23.934 5.739 209 1HD2 ASN 28 1HD2 ASN 28 -2.586 -23.543 2.548 210 2HD2 ASN 28 2HD2 ASN 28 -0.922 -23.153 2.748 211 H THR 29 H THR 29 -4.529 -25.486 2.919 212 HA THR 29 HA THR 29 -6.412 -27.421 2.714 213 HB THR 29 HB THR 29 -7.276 -27.192 4.886 214 HG1 THR 29 1HG THR 29 -8.964 -25.444 3.441 215 1HG2 THR 29 1HG2 THR 29 -6.253 -24.619 4.821 216 2HG2 THR 29 2HG2 THR 29 -7.135 -25.376 6.152 217 3HG2 THR 29 3HG2 THR 29 -8.004 -24.405 4.960 218 H ASP 30 H ASP 30 -6.373 -23.866 2.979 219 HA ASP 30 HA ASP 30 -6.717 -23.272 0.304 220 1HB ASP 30 2HB ASP 30 -9.223 -24.051 1.648 221 2HB ASP 30 1HB ASP 30 -9.295 -22.484 0.842 222 H LEU 31 H LEU 31 -5.161 -22.074 1.655 223 HA LEU 31 HA LEU 31 -5.827 -20.190 3.543 224 1HB LEU 31 2HB LEU 31 -3.586 -20.993 2.034 225 2HB LEU 31 1HB LEU 31 -3.644 -19.248 1.993 226 HG LEU 31 HG LEU 31 -2.274 -19.877 3.830 227 1HD1 LEU 31 1HD1 LEU 31 -3.349 -18.771 5.599 228 2HD1 LEU 31 2HD1 LEU 31 -4.939 -19.293 5.057 229 3HD1 LEU 31 3HD1 LEU 31 -4.041 -18.093 4.134 230 1HD2 LEU 31 1HD2 LEU 31 -3.920 -22.148 3.926 231 2HD2 LEU 31 2HD2 LEU 31 -4.158 -21.310 5.463 232 3HD2 LEU 31 3HD2 LEU 31 -2.534 -21.769 4.957 233 H LYS 32 H LYS 32 -5.903 -17.974 3.498 234 HA LYS 32 HA LYS 32 -6.934 -16.796 1.008 235 1HB LYS 32 2HB LYS 32 -7.652 -15.801 3.754 236 2HB LYS 32 1HB LYS 32 -8.500 -15.545 2.239 237 1HG LYS 32 2HG LYS 32 -9.697 -17.422 2.444 238 2HG LYS 32 1HG LYS 32 -8.324 -18.353 3.043 239 1HD LYS 32 2HD LYS 32 -10.069 -18.174 4.739 240 2HD LYS 32 1HD LYS 32 -8.603 -17.339 5.253 241 1HE LYS 32 2HE LYS 32 -9.675 -15.233 4.287 242 2HE LYS 32 1HE LYS 32 -11.168 -16.166 4.252 243 1HZ LYS 32 1HZ LYS 32 -11.044 -14.907 6.278 244 2HZ LYS 32 2HZ LYS 32 -9.525 -15.559 6.649 245 3HZ LYS 32 3HZ LYS 32 -10.898 -16.551 6.652 246 H LEU 33 H LEU 33 -5.662 -15.227 0.217 247 HA LEU 33 HA LEU 33 -3.298 -14.430 1.434 248 1HB LEU 33 2HB LEU 33 -4.010 -14.321 -1.016 249 2HB LEU 33 1HB LEU 33 -4.790 -12.811 -0.606 250 HG LEU 33 HG LEU 33 -2.516 -12.623 -1.660 251 1HD1 LEU 33 1HD1 LEU 33 -3.545 -11.246 0.675 252 2HD1 LEU 33 2HD1 LEU 33 -2.808 -10.606 -0.784 253 3HD1 LEU 33 3HD1 LEU 33 -1.790 -11.141 0.548 254 1HD2 LEU 33 1HD2 LEU 33 -0.726 -13.615 -0.798 255 2HD2 LEU 33 2HD2 LEU 33 -1.820 -14.498 0.266 256 3HD2 LEU 33 3HD2 LEU 33 -1.076 -12.997 0.815 257 H ARG 34 H ARG 34 -2.665 -12.639 2.555 258 HA ARG 34 HA ARG 34 -4.730 -10.728 3.345 259 1HB ARG 34 2HB ARG 34 -4.577 -12.330 5.167 260 2HB ARG 34 1HB ARG 34 -2.834 -12.121 5.235 261 1HG ARG 34 2HG ARG 34 -4.242 -9.604 5.508 262 2HG ARG 34 1HG ARG 34 -4.718 -10.776 6.739 263 1HD ARG 34 2HD ARG 34 -1.855 -10.100 6.086 264 2HD ARG 34 1HD ARG 34 -2.781 -9.304 7.358 265 HE ARG 34 HE ARG 34 -2.763 -12.164 7.584 266 1HH1 ARG 34 1HH1 ARG 34 -1.024 -9.236 8.341 267 2HH1 ARG 34 2HH1 ARG 34 -0.189 -9.932 9.689 268 1HH2 ARG 34 1HH2 ARG 34 -1.667 -13.081 9.356 269 2HH2 ARG 34 2HH2 ARG 34 -0.553 -12.116 10.266 270 H VAL 35 H VAL 35 -3.921 -9.126 2.129 271 HA VAL 35 HA VAL 35 -1.160 -8.514 1.915 272 HB VAL 35 HB VAL 35 -3.469 -6.698 1.292 273 1HG1 VAL 35 1HG1 VAL 35 -1.807 -5.966 -0.516 274 2HG1 VAL 35 2HG1 VAL 35 -0.591 -6.796 0.454 275 3HG1 VAL 35 3HG1 VAL 35 -1.498 -5.448 1.141 276 1HG2 VAL 35 1HG2 VAL 35 -3.931 -8.741 0.190 277 2HG2 VAL 35 2HG2 VAL 35 -2.250 -8.916 -0.320 278 3HG2 VAL 35 3HG2 VAL 35 -3.257 -7.647 -1.018 279 H TYR 36 H TYR 36 -0.075 -6.674 2.562 280 HA TYR 36 HA TYR 36 -1.187 -5.024 4.689 281 1HB TYR 36 2HB TYR 36 1.252 -5.415 5.770 282 2HB TYR 36 1HB TYR 36 -0.161 -6.357 6.232 283 HD1 TYR 36 1HD TYR 36 3.174 -6.513 5.069 284 HD2 TYR 36 2HD TYR 36 -0.559 -8.541 4.874 285 HE1 TYR 36 1HE TYR 36 4.340 -8.574 4.406 286 HE2 TYR 36 2HE TYR 36 0.593 -10.609 4.212 287 HH TYR 36 HH TYR 36 3.920 -11.036 4.495 288 H ILE 37 H ILE 37 0.773 -3.414 5.335 289 HA ILE 37 HA ILE 37 1.493 -2.199 2.791 290 HB ILE 37 HB ILE 37 1.568 -1.186 5.627 291 1HG1 ILE 37 2HG1 ILE 37 -0.611 -1.194 4.496 292 2HG1 ILE 37 1HG1 ILE 37 -0.040 0.458 4.743 293 1HG2 ILE 37 1HG2 ILE 37 2.960 -0.163 3.222 294 2HG2 ILE 37 2HG2 ILE 37 3.396 -0.031 4.927 295 3HG2 ILE 37 3HG2 ILE 37 2.148 1.020 4.253 296 1HD1 ILE 37 1HD1 ILE 37 -0.770 0.591 2.594 297 2HD1 ILE 37 2HD1 ILE 37 -0.374 -1.089 2.234 298 3HD1 ILE 37 3HD1 ILE 37 0.905 0.122 2.311 299 H THR 38 H THR 38 3.307 -2.863 1.882 300 HA THR 38 HA THR 38 5.690 -3.199 3.582 301 HB THR 38 HB THR 38 4.968 -4.777 1.107 302 HG1 THR 38 1HG THR 38 4.915 -5.401 3.863 303 1HG2 THR 38 1HG2 THR 38 7.467 -4.501 2.565 304 2HG2 THR 38 2HG2 THR 38 7.144 -5.190 0.973 305 3HG2 THR 38 3HG2 THR 38 6.914 -6.170 2.423 306 H GLY 39 H GLY 39 4.398 -2.113 0.493 307 1HA GLY 39 2HA GLY 39 7.029 -1.105 -0.298 308 2HA GLY 39 1HA GLY 39 5.594 -1.174 -1.318 309 H GLY 40 H GLY 40 5.720 0.960 -1.965 310 1HA GLY 40 2HA GLY 40 4.252 2.885 -0.887 311 2HA GLY 40 1HA GLY 40 5.710 3.036 0.079 312 H GLY 41 H GLY 41 7.779 3.239 -1.227 313 1HA GLY 41 2HA GLY 41 9.029 4.491 -2.693 314 2HA GLY 41 1HA GLY 41 7.806 4.087 -3.892 315 H CYS 42 H CYS 42 5.990 5.474 -4.137 316 HA CYS 42 HA CYS 42 6.429 8.193 -3.089 317 1HB CYS 42 2HB CYS 42 6.765 7.687 -5.637 318 2HB CYS 42 1HB CYS 42 5.006 7.693 -5.681 319 HG CYS 42 HG CYS 42 6.774 10.134 -5.533 320 H SER 43 H SER 43 4.600 5.660 -2.524 321 HA SER 43 HA SER 43 2.541 6.934 -1.217 322 1HB SER 43 2HB SER 43 2.099 6.882 -4.060 323 2HB SER 43 1HB SER 43 0.882 5.890 -3.257 324 HG SER 43 HG SER 43 0.183 7.624 -2.141 325 H GLY 44 H GLY 44 2.452 4.218 -3.518 326 1HA GLY 44 2HA GLY 44 2.948 2.100 -1.858 327 2HA GLY 44 1HA GLY 44 1.250 2.465 -1.589 328 H PHE 45 H PHE 45 3.344 0.633 -3.384 329 HA PHE 45 HA PHE 45 1.224 0.026 -5.286 330 1HB PHE 45 2HB PHE 45 2.568 0.232 -7.226 331 2HB PHE 45 1HB PHE 45 2.813 1.715 -6.300 332 HD1 PHE 45 1HD PHE 45 4.467 -0.417 -8.312 333 HD2 PHE 45 2HD PHE 45 4.803 1.196 -4.388 334 HE1 PHE 45 1HE PHE 45 6.895 -0.805 -8.364 335 HE2 PHE 45 2HE PHE 45 7.228 0.813 -4.433 336 HZ PHE 45 HZ PHE 45 8.282 -0.189 -6.423 337 H GLN 46 H GLN 46 3.339 -1.185 -3.078 338 HA GLN 46 HA GLN 46 3.661 -3.700 -4.563 339 1HB GLN 46 2HB GLN 46 5.155 -2.926 -2.068 340 2HB GLN 46 1HB GLN 46 5.537 -4.210 -3.206 341 1HG GLN 46 2HG GLN 46 6.042 -2.555 -4.918 342 2HG GLN 46 1HG GLN 46 5.649 -1.260 -3.785 343 1HE2 GLN 46 1HE2 GLN 46 7.630 -4.183 -3.910 344 2HE2 GLN 46 2HE2 GLN 46 9.024 -3.482 -3.162 345 H TYR 47 H TYR 47 3.659 -3.088 -1.064 346 HA TYR 47 HA TYR 47 2.301 -3.857 0.605 347 1HB TYR 47 2HB TYR 47 0.449 -5.028 -1.454 348 2HB TYR 47 1HB TYR 47 0.073 -4.498 0.182 349 HD1 TYR 47 1HD TYR 47 0.439 -1.952 0.649 350 HD2 TYR 47 2HD TYR 47 -0.018 -3.629 -3.232 351 HE1 TYR 47 1HE TYR 47 -0.226 0.251 -0.214 352 HE2 TYR 47 2HE TYR 47 -0.687 -1.429 -4.110 353 HH TYR 47 HH TYR 47 -1.298 1.282 -2.007 354 H GLY 48 H GLY 48 2.894 -5.512 1.796 355 1HA GLY 48 2HA GLY 48 3.987 -7.884 0.590 356 2HA GLY 48 1HA GLY 48 3.868 -7.551 2.310 357 H PHE 49 H PHE 49 3.060 -9.788 0.261 358 HA PHE 49 HA PHE 49 0.300 -10.153 1.164 359 1HB PHE 49 2HB PHE 49 1.883 -11.151 -1.158 360 2HB PHE 49 1HB PHE 49 0.505 -12.089 -0.601 361 HD1 PHE 49 1HD PHE 49 -1.003 -11.821 -2.341 362 HD2 PHE 49 2HD PHE 49 0.866 -8.412 -0.632 363 HE1 PHE 49 1HE PHE 49 -2.538 -10.367 -3.589 364 HE2 PHE 49 2HE PHE 49 -0.650 -6.941 -1.876 365 HZ PHE 49 HZ PHE 49 -2.362 -7.918 -3.364 366 H THR 50 H THR 50 -0.309 -11.752 2.457 367 HA THR 50 HA THR 50 1.585 -13.929 3.030 368 HB THR 50 HB THR 50 1.565 -12.151 4.859 369 HG1 THR 50 1HG THR 50 1.464 -13.752 6.489 370 1HG2 THR 50 1HG2 THR 50 -0.223 -11.784 6.205 371 2HG2 THR 50 2HG2 THR 50 -0.937 -13.366 5.878 372 3HG2 THR 50 3HG2 THR 50 -1.060 -12.076 4.681 373 H PHE 51 H PHE 51 0.471 -15.830 4.049 374 HA PHE 51 HA PHE 51 -2.208 -16.094 2.889 375 1HB PHE 51 2HB PHE 51 -0.410 -18.387 3.668 376 2HB PHE 51 1HB PHE 51 -1.737 -18.372 2.505 377 HD1 PHE 51 1HD PHE 51 -1.471 -16.914 0.429 378 HD2 PHE 51 2HD PHE 51 1.773 -18.001 2.949 379 HE1 PHE 51 1HE PHE 51 0.113 -16.299 -1.352 380 HE2 PHE 51 2HE PHE 51 3.366 -17.406 1.175 381 HZ PHE 51 HZ PHE 51 2.538 -16.546 -0.978 382 H ASP 52 H ASP 52 -3.512 -15.433 4.425 383 HA ASP 52 HA ASP 52 -3.349 -16.682 7.086 384 1HB ASP 52 2HB ASP 52 -3.005 -14.351 7.320 385 2HB ASP 52 1HB ASP 52 -4.287 -13.971 6.178 386 H GLU 53 H GLU 53 -4.708 -18.349 7.103 387 HA GLU 53 HA GLU 53 -7.127 -18.432 5.603 388 1HB GLU 53 2HB GLU 53 -5.455 -20.287 6.858 389 2HB GLU 53 1HB GLU 53 -7.012 -20.434 7.662 390 1HG GLU 53 2HG GLU 53 -7.391 -20.270 4.838 391 2HG GLU 53 1HG GLU 53 -6.223 -21.534 5.213 392 H LYS 54 H LYS 54 -6.373 -17.401 8.835 393 HA LYS 54 HA LYS 54 -8.770 -17.927 10.118 394 1HB LYS 54 2HB LYS 54 -8.170 -15.558 11.272 395 2HB LYS 54 1HB LYS 54 -7.427 -17.089 11.713 396 1HG LYS 54 2HG LYS 54 -5.907 -16.056 9.600 397 2HG LYS 54 1HG LYS 54 -6.225 -14.708 10.681 398 1HD LYS 54 2HD LYS 54 -4.400 -15.522 11.741 399 2HD LYS 54 1HD LYS 54 -5.588 -16.583 12.487 400 1HE LYS 54 2HE LYS 54 -4.604 -18.366 11.623 401 2HE LYS 54 1HE LYS 54 -4.777 -17.716 10.001 402 1HZ LYS 54 1HZ LYS 54 -2.641 -16.566 11.591 403 2HZ LYS 54 2HZ LYS 54 -2.659 -17.008 9.957 404 3HZ LYS 54 3HZ LYS 54 -2.432 -18.185 11.149 405 H VAL 55 H VAL 55 -8.284 -14.483 9.630 406 HA VAL 55 HA VAL 55 -9.985 -13.915 7.572 407 HB VAL 55 HB VAL 55 -11.690 -15.218 8.796 408 1HG1 VAL 55 1HG1 VAL 55 -11.509 -12.937 10.741 409 2HG1 VAL 55 2HG1 VAL 55 -11.241 -14.653 11.072 410 3HG1 VAL 55 3HG1 VAL 55 -12.845 -14.077 10.639 411 1HG2 VAL 55 1HG2 VAL 55 -11.901 -12.720 7.495 412 2HG2 VAL 55 2HG2 VAL 55 -13.091 -12.761 8.786 413 3HG2 VAL 55 3HG2 VAL 55 -13.072 -14.030 7.569 414 H ASN 56 H ASN 56 -8.708 -12.948 10.639 415 HA ASN 56 HA ASN 56 -8.383 -10.899 11.585 416 1HB ASN 56 2HB ASN 56 -8.030 -10.240 8.656 417 2HB ASN 56 1HB ASN 56 -7.599 -9.150 9.973 418 1HD2 ASN 56 1HD2 ASN 56 -7.170 -12.589 9.214 419 2HD2 ASN 56 2HD2 ASN 56 -5.489 -12.633 9.594 420 H ASP 57 H ASP 57 -10.386 -10.530 12.474 421 HA ASP 57 HA ASP 57 -12.735 -9.804 11.286 422 1HB ASP 57 2HB ASP 57 -11.535 -9.183 13.939 423 2HB ASP 57 1HB ASP 57 -12.999 -8.315 13.478 424 H GLY 58 H GLY 58 -10.253 -7.468 12.390 425 1HA GLY 58 2HA GLY 58 -11.639 -5.322 10.999 426 2HA GLY 58 1HA GLY 58 -10.174 -5.168 11.963 427 H ASP 59 H ASP 59 -11.097 -7.090 9.114 428 HA ASP 59 HA ASP 59 -9.020 -5.784 7.526 429 1HB ASP 59 2HB ASP 59 -7.956 -7.745 8.665 430 2HB ASP 59 1HB ASP 59 -9.136 -8.788 7.880 431 H LEU 60 H LEU 60 -10.086 -5.161 5.726 432 HA LEU 60 HA LEU 60 -12.517 -6.303 4.870 433 1HB LEU 60 2HB LEU 60 -10.652 -4.763 3.080 434 2HB LEU 60 1HB LEU 60 -12.393 -4.889 2.964 435 HG LEU 60 HG LEU 60 -10.728 -3.137 4.689 436 1HD1 LEU 60 1HD1 LEU 60 -11.804 -2.187 2.778 437 2HD1 LEU 60 2HD1 LEU 60 -12.633 -1.599 4.223 438 3HD1 LEU 60 3HD1 LEU 60 -13.358 -2.876 3.247 439 1HD2 LEU 60 1HD2 LEU 60 -12.900 -2.828 6.090 440 2HD2 LEU 60 2HD2 LEU 60 -11.778 -4.119 6.508 441 3HD2 LEU 60 3HD2 LEU 60 -13.240 -4.486 5.595 442 H THR 61 H THR 61 -12.878 -7.406 2.740 443 HA THR 61 HA THR 61 -10.570 -8.955 1.872 444 HB THR 61 HB THR 61 -11.271 -10.961 2.568 445 HG1 THR 61 1HG THR 61 -13.983 -10.228 2.206 446 1HG2 THR 61 1HG2 THR 61 -12.488 -11.053 4.583 447 2HG2 THR 61 2HG2 THR 61 -13.312 -9.531 4.238 448 3HG2 THR 61 3HG2 THR 61 -11.585 -9.536 4.603 449 H ILE 62 H ILE 62 -10.704 -9.928 -0.127 450 HA ILE 62 HA ILE 62 -12.996 -9.334 -1.835 451 HB ILE 62 HB ILE 62 -11.103 -8.752 -3.590 452 1HG1 ILE 62 2HG1 ILE 62 -9.358 -9.046 -1.720 453 2HG1 ILE 62 1HG1 ILE 62 -9.215 -7.636 -2.760 454 1HG2 ILE 62 1HG2 ILE 62 -11.959 -6.614 -1.679 455 2HG2 ILE 62 2HG2 ILE 62 -13.097 -7.421 -2.750 456 3HG2 ILE 62 3HG2 ILE 62 -11.747 -6.510 -3.427 457 1HD1 ILE 62 1HD1 ILE 62 -8.840 -6.762 -0.666 458 2HD1 ILE 62 2HD1 ILE 62 -10.038 -7.801 0.104 459 3HD1 ILE 62 3HD1 ILE 62 -10.559 -6.439 -0.888 460 H GLU 63 H GLU 63 -13.425 -11.569 -2.008 461 HA GLU 63 HA GLU 63 -11.508 -13.564 -2.392 462 1HB GLU 63 2HB GLU 63 -13.995 -13.799 -1.815 463 2HB GLU 63 1HB GLU 63 -14.275 -13.704 -3.545 464 1HG GLU 63 2HG GLU 63 -12.759 -15.651 -3.835 465 2HG GLU 63 1HG GLU 63 -12.678 -15.785 -2.080 466 H LYS 64 H LYS 64 -10.928 -14.776 -4.279 467 HA LYS 64 HA LYS 64 -11.571 -13.733 -6.880 468 1HB LYS 64 2HB LYS 64 -9.209 -12.812 -5.473 469 2HB LYS 64 1HB LYS 64 -8.799 -13.552 -7.016 470 1HG LYS 64 2HG LYS 64 -10.971 -11.499 -6.836 471 2HG LYS 64 1HG LYS 64 -9.277 -11.018 -6.910 472 1HD LYS 64 2HD LYS 64 -10.659 -12.786 -8.931 473 2HD LYS 64 1HD LYS 64 -10.381 -11.055 -9.126 474 1HE LYS 64 2HE LYS 64 -7.933 -11.502 -8.841 475 2HE LYS 64 1HE LYS 64 -8.303 -13.225 -8.895 476 1HZ LYS 64 1HZ LYS 64 -9.397 -11.659 -11.073 477 2HZ LYS 64 2HZ LYS 64 -8.635 -13.169 -11.099 478 3HZ LYS 64 3HZ LYS 64 -7.708 -11.756 -11.042 479 H SER 65 H SER 65 -9.581 -14.639 -8.393 480 HA SER 65 HA SER 65 -9.692 -16.741 -9.556 481 1HB SER 65 2HB SER 65 -7.398 -15.605 -8.699 482 2HB SER 65 1HB SER 65 -7.235 -17.226 -8.007 483 HG SER 65 HG SER 65 -7.256 -16.417 -10.664 484 H GLY 66 H GLY 66 -8.274 -17.627 -6.400 485 1HA GLY 66 2HA GLY 66 -10.221 -19.801 -6.210 486 2HA GLY 66 1HA GLY 66 -8.530 -20.245 -6.358 487 H VAL 67 H VAL 67 -9.033 -17.376 -4.569 488 HA VAL 67 HA VAL 67 -9.235 -18.814 -2.032 489 HB VAL 67 HB VAL 67 -7.282 -17.897 -1.063 490 1HG1 VAL 67 1HG1 VAL 67 -7.105 -19.818 -2.812 491 2HG1 VAL 67 2HG1 VAL 67 -5.645 -19.092 -2.139 492 3HG1 VAL 67 3HG1 VAL 67 -6.203 -18.621 -3.745 493 1HG2 VAL 67 1HG2 VAL 67 -7.618 -15.797 -2.849 494 2HG2 VAL 67 2HG2 VAL 67 -6.100 -16.547 -3.337 495 3HG2 VAL 67 3HG2 VAL 67 -6.312 -15.991 -1.676 496 H GLN 68 H GLN 68 -8.382 -16.447 -0.528 497 HA GLN 68 HA GLN 68 -10.425 -14.492 -1.253 498 1HB GLN 68 2HB GLN 68 -11.749 -15.254 0.365 499 2HB GLN 68 1HB GLN 68 -10.492 -16.290 1.013 500 1HG GLN 68 2HG GLN 68 -10.868 -14.979 2.795 501 2HG GLN 68 1HG GLN 68 -9.632 -13.998 2.022 502 1HE2 GLN 68 1HE2 GLN 68 -11.084 -12.838 0.016 503 2HE2 GLN 68 2HE2 GLN 68 -12.262 -11.784 0.707 504 H LEU 69 H LEU 69 -9.519 -12.566 -1.409 505 HA LEU 69 HA LEU 69 -6.929 -12.089 -0.178 506 1HB LEU 69 2HB LEU 69 -8.410 -11.049 -2.460 507 2HB LEU 69 1HB LEU 69 -7.643 -9.782 -1.525 508 HG LEU 69 HG LEU 69 -6.237 -10.545 -3.377 509 1HD1 LEU 69 1HD1 LEU 69 -4.986 -9.621 -1.669 510 2HD1 LEU 69 2HD1 LEU 69 -4.227 -11.194 -1.916 511 3HD1 LEU 69 3HD1 LEU 69 -5.331 -10.951 -0.563 512 1HD2 LEU 69 1HD2 LEU 69 -5.226 -12.775 -3.306 513 2HD2 LEU 69 2HD2 LEU 69 -6.977 -12.861 -3.493 514 3HD2 LEU 69 3HD2 LEU 69 -6.241 -13.186 -1.924 515 H VAL 70 H VAL 70 -7.154 -11.603 1.950 516 HA VAL 70 HA VAL 70 -9.022 -9.441 2.644 517 HB VAL 70 HB VAL 70 -9.385 -10.351 4.694 518 1HG1 VAL 70 1HG1 VAL 70 -9.543 -12.143 2.734 519 2HG1 VAL 70 2HG1 VAL 70 -9.962 -12.518 4.405 520 3HG1 VAL 70 3HG1 VAL 70 -8.380 -12.971 3.769 521 1HG2 VAL 70 1HG2 VAL 70 -7.769 -11.733 5.962 522 2HG2 VAL 70 2HG2 VAL 70 -7.133 -10.139 5.553 523 3HG2 VAL 70 3HG2 VAL 70 -6.620 -11.555 4.637 524 H ILE 71 H ILE 71 -8.118 -7.489 2.829 525 HA ILE 71 HA ILE 71 -5.299 -7.375 3.667 526 HB ILE 71 HB ILE 71 -4.902 -5.506 2.345 527 1HG1 ILE 71 2HG1 ILE 71 -6.847 -4.169 2.982 528 2HG1 ILE 71 1HG1 ILE 71 -6.647 -4.178 1.234 529 1HG2 ILE 71 1HG2 ILE 71 -5.640 -7.775 1.176 530 2HG2 ILE 71 2HG2 ILE 71 -5.141 -6.355 0.256 531 3HG2 ILE 71 3HG2 ILE 71 -6.855 -6.708 0.473 532 1HD1 ILE 71 1HD1 ILE 71 -8.879 -4.533 1.354 533 2HD1 ILE 71 2HD1 ILE 71 -8.778 -5.360 2.909 534 3HD1 ILE 71 3HD1 ILE 71 -8.329 -6.207 1.427 535 H ASP 72 H ASP 72 -4.610 -5.562 4.903 536 HA ASP 72 HA ASP 72 -6.449 -4.996 7.053 537 1HB ASP 72 2HB ASP 72 -4.130 -5.537 7.561 538 2HB ASP 72 1HB ASP 72 -3.584 -4.155 6.611 539 HA PRO 73 HA PRO 73 -8.177 -1.110 5.900 540 1HB PRO 73 2HB PRO 73 -7.352 -0.289 8.652 541 2HB PRO 73 1HB PRO 73 -8.915 -0.102 7.842 542 1HG PRO 73 2HG PRO 73 -8.581 -2.011 9.650 543 2HG PRO 73 1HG PRO 73 -9.494 -2.332 8.162 544 1HD PRO 73 2HD PRO 73 -6.738 -3.171 8.910 545 2HD PRO 73 1HD PRO 73 -7.959 -4.031 7.952 546 H MET 74 H MET 74 -5.053 -1.069 7.577 547 HA MET 74 HA MET 74 -4.286 1.527 7.038 548 1HB MET 74 2HB MET 74 -2.734 0.623 8.412 549 2HB MET 74 1HB MET 74 -2.942 -0.987 7.744 550 1HG MET 74 2HG MET 74 -1.290 -0.716 6.206 551 2HG MET 74 1HG MET 74 -1.504 1.030 6.099 552 1HE MET 74 1HE MET 74 -0.955 2.623 7.680 553 2HE MET 74 2HE MET 74 0.607 2.624 8.496 554 3HE MET 74 3HE MET 74 -0.844 2.135 9.371 555 H SER 75 H SER 75 -3.885 -1.394 5.121 556 HA SER 75 HA SER 75 -2.643 -0.033 2.929 557 1HB SER 75 2HB SER 75 -4.000 -2.676 2.583 558 2HB SER 75 1HB SER 75 -2.464 -2.110 1.925 559 HG SER 75 HG SER 75 -1.751 -3.361 3.493 560 H LEU 76 H LEU 76 -5.898 -0.858 3.877 561 HA LEU 76 HA LEU 76 -7.297 -0.788 1.552 562 1HB LEU 76 2HB LEU 76 -8.728 -1.181 3.217 563 2HB LEU 76 1HB LEU 76 -7.865 -0.157 4.337 564 HG LEU 76 HG LEU 76 -9.658 0.985 2.212 565 1HD1 LEU 76 1HD1 LEU 76 -11.079 -0.443 3.442 566 2HD1 LEU 76 2HD1 LEU 76 -11.296 1.172 4.119 567 3HD1 LEU 76 3HD1 LEU 76 -10.293 -0.010 4.959 568 1HD2 LEU 76 1HD2 LEU 76 -9.684 2.575 4.439 569 2HD2 LEU 76 2HD2 LEU 76 -8.688 2.828 3.010 570 3HD2 LEU 76 3HD2 LEU 76 -8.028 1.975 4.409 571 H GLN 77 H GLN 77 -6.203 2.067 3.364 572 HA GLN 77 HA GLN 77 -7.301 3.918 1.489 573 1HB GLN 77 2HB GLN 77 -5.057 4.459 3.438 574 2HB GLN 77 1HB GLN 77 -6.050 5.651 2.625 575 1HG GLN 77 2HG GLN 77 -7.254 5.686 4.476 576 2HG GLN 77 1HG GLN 77 -7.905 4.144 3.950 577 1HE2 GLN 77 1HE2 GLN 77 -5.214 2.880 4.355 578 2HE2 GLN 77 2HE2 GLN 77 -5.092 2.664 6.051 579 H TYR 78 H TYR 78 -4.352 2.109 1.713 580 HA TYR 78 HA TYR 78 -2.927 3.793 -0.131 581 1HB TYR 78 2HB TYR 78 -2.289 1.128 1.124 582 2HB TYR 78 1HB TYR 78 -1.214 1.938 -0.016 583 HD1 TYR 78 1HD TYR 78 -3.187 3.052 2.980 584 HD2 TYR 78 2HD TYR 78 0.595 2.878 1.033 585 HE1 TYR 78 1HE TYR 78 -2.181 4.312 4.832 586 HE2 TYR 78 2HE TYR 78 1.608 4.139 2.881 587 HH TYR 78 HH TYR 78 0.284 4.494 5.812 588 H LEU 79 H LEU 79 -4.571 0.679 -0.238 589 HA LEU 79 HA LEU 79 -3.877 0.372 -3.037 590 1HB LEU 79 2HB LEU 79 -4.733 -1.845 -2.935 591 2HB LEU 79 1HB LEU 79 -3.665 -1.557 -1.593 592 HG LEU 79 HG LEU 79 -6.038 -2.850 -1.438 593 1HD1 LEU 79 1HD1 LEU 79 -4.809 -3.229 0.381 594 2HD1 LEU 79 2HD1 LEU 79 -5.776 -1.936 1.092 595 3HD1 LEU 79 3HD1 LEU 79 -4.182 -1.580 0.426 596 1HD2 LEU 79 1HD2 LEU 79 -7.605 -1.458 -0.198 597 2HD2 LEU 79 2HD2 LEU 79 -7.382 -0.863 -1.839 598 3HD2 LEU 79 3HD2 LEU 79 -6.590 -0.050 -0.490 599 H ILE 80 H ILE 80 -6.462 1.663 -1.303 600 HA ILE 80 HA ILE 80 -8.825 1.278 -2.156 601 HB ILE 80 HB ILE 80 -9.367 3.577 -2.515 602 1HG1 ILE 80 2HG1 ILE 80 -7.702 4.149 -4.187 603 2HG1 ILE 80 1HG1 ILE 80 -7.622 5.298 -2.855 604 1HG2 ILE 80 1HG2 ILE 80 -8.769 3.004 -0.248 605 2HG2 ILE 80 2HG2 ILE 80 -8.248 4.649 -0.614 606 3HG2 ILE 80 3HG2 ILE 80 -7.072 3.336 -0.595 607 1HD1 ILE 80 1HD1 ILE 80 -5.712 4.003 -1.950 608 2HD1 ILE 80 2HD1 ILE 80 -5.404 4.737 -3.522 609 3HD1 ILE 80 3HD1 ILE 80 -5.757 3.014 -3.404 610 H GLY 81 H GLY 81 -9.841 0.539 -3.780 611 1HA GLY 81 2HA GLY 81 -10.177 -0.314 -5.907 612 2HA GLY 81 1HA GLY 81 -10.451 1.398 -6.173 613 H GLY 82 H GLY 82 -7.274 -0.091 -5.609 614 1HA GLY 82 2HA GLY 82 -6.397 1.022 -8.162 615 2HA GLY 82 1HA GLY 82 -5.364 0.286 -6.938 616 H THR 83 H THR 83 -4.285 -1.044 -8.432 617 HA THR 83 HA THR 83 -5.742 -3.465 -9.108 618 HB THR 83 HB THR 83 -4.493 -1.665 -11.176 619 HG1 THR 83 1HG THR 83 -6.524 -1.359 -11.527 620 1HG2 THR 83 1HG2 THR 83 -3.642 -3.437 -12.215 621 2HG2 THR 83 2HG2 THR 83 -5.314 -3.890 -12.554 622 3HG2 THR 83 3HG2 THR 83 -4.481 -4.570 -11.153 623 H VAL 84 H VAL 84 -4.469 -5.243 -8.902 624 HA VAL 84 HA VAL 84 -1.560 -4.819 -8.783 625 HB VAL 84 HB VAL 84 -1.461 -5.372 -6.647 626 1HG1 VAL 84 1HG1 VAL 84 -3.781 -4.476 -6.522 627 2HG1 VAL 84 2HG1 VAL 84 -3.341 -5.596 -5.239 628 3HG1 VAL 84 3HG1 VAL 84 -4.358 -6.140 -6.572 629 1HG2 VAL 84 1HG2 VAL 84 -2.183 -7.682 -5.897 630 2HG2 VAL 84 2HG2 VAL 84 -1.000 -7.596 -7.201 631 3HG2 VAL 84 3HG2 VAL 84 -2.686 -7.946 -7.566 632 H ASP 85 H ASP 85 -0.253 -6.656 -9.204 633 HA ASP 85 HA ASP 85 -1.516 -9.028 -10.253 634 1HB ASP 85 2HB ASP 85 -0.079 -8.808 -12.398 635 2HB ASP 85 1HB ASP 85 -1.589 -7.903 -12.293 636 H TYR 86 H TYR 86 -0.158 -10.806 -10.333 637 HA TYR 86 HA TYR 86 2.526 -10.387 -9.198 638 1HB TYR 86 2HB TYR 86 0.371 -11.788 -8.127 639 2HB TYR 86 1HB TYR 86 1.436 -13.037 -8.753 640 HD1 TYR 86 1HD TYR 86 0.591 -11.620 -5.856 641 HD2 TYR 86 2HD TYR 86 4.083 -12.122 -8.221 642 HE1 TYR 86 1HE TYR 86 1.974 -11.430 -3.833 643 HE2 TYR 86 2HE TYR 86 5.483 -11.936 -6.212 644 HH TYR 86 HH TYR 86 4.168 -12.018 -3.040 645 H THR 87 H THR 87 4.209 -11.541 -10.054 646 HA THR 87 HA THR 87 3.702 -13.544 -12.089 647 HB THR 87 HB THR 87 5.252 -11.027 -12.708 648 HG1 THR 87 1HG THR 87 2.877 -12.009 -13.896 649 1HG2 THR 87 1HG2 THR 87 5.807 -11.855 -14.776 650 2HG2 THR 87 2HG2 THR 87 4.562 -13.104 -14.729 651 3HG2 THR 87 3HG2 THR 87 6.018 -13.272 -13.746 652 H GLU 88 H GLU 88 4.728 -14.982 -10.688 653 HA GLU 88 HA GLU 88 7.515 -14.424 -10.005 654 1HB GLU 88 2HB GLU 88 7.379 -16.259 -8.463 655 2HB GLU 88 1HB GLU 88 5.962 -15.243 -8.240 656 1HG GLU 88 2HG GLU 88 5.406 -17.291 -10.161 657 2HG GLU 88 1HG GLU 88 6.053 -17.999 -8.681 658 H GLY 89 H GLY 89 9.090 -16.206 -10.213 659 1HA GLY 89 2HA GLY 89 9.658 -18.305 -11.347 660 2HA GLY 89 1HA GLY 89 8.594 -17.794 -12.654 661 H LEU 90 H LEU 90 9.465 -15.066 -12.705 662 HA LEU 90 HA LEU 90 12.037 -15.460 -14.050 663 1HB LEU 90 2HB LEU 90 9.684 -13.985 -14.669 664 2HB LEU 90 1HB LEU 90 10.994 -12.833 -14.453 665 HG LEU 90 HG LEU 90 12.282 -13.840 -16.193 666 1HD1 LEU 90 1HD1 LEU 90 12.028 -16.141 -15.914 667 2HD1 LEU 90 2HD1 LEU 90 11.246 -15.812 -17.460 668 3HD1 LEU 90 3HD1 LEU 90 10.270 -16.054 -16.011 669 1HD2 LEU 90 1HD2 LEU 90 10.629 -13.767 -18.113 670 2HD2 LEU 90 2HD2 LEU 90 10.703 -12.336 -17.085 671 3HD2 LEU 90 3HD2 LEU 90 9.382 -13.489 -16.898 672 H GLU 91 H GLU 91 13.662 -15.191 -12.657 673 HA GLU 91 HA GLU 91 15.117 -14.184 -11.241 674 1HB GLU 91 2HB GLU 91 13.568 -11.626 -11.597 675 2HB GLU 91 1HB GLU 91 15.283 -11.824 -11.234 676 1HG GLU 91 2HG GLU 91 14.645 -13.136 -13.702 677 2HG GLU 91 1HG GLU 91 14.081 -11.464 -13.739 678 H GLY 92 H GLY 92 12.178 -15.003 -10.428 679 1HA GLY 92 2HA GLY 92 11.777 -15.500 -8.085 680 2HA GLY 92 1HA GLY 92 12.458 -13.925 -7.693 681 H SER 93 H SER 93 9.951 -14.936 -6.817 682 HA SER 93 HA SER 93 7.760 -14.033 -8.276 683 1HB SER 93 2HB SER 93 7.492 -15.539 -6.395 684 2HB SER 93 1HB SER 93 8.109 -14.313 -5.288 685 HG SER 93 HG SER 93 5.842 -13.813 -6.889 686 H ARG 94 H ARG 94 7.857 -12.030 -9.126 687 HA ARG 94 HA ARG 94 8.500 -9.765 -7.408 688 1HB ARG 94 2HB ARG 94 9.314 -8.885 -9.295 689 2HB ARG 94 1HB ARG 94 8.823 -10.328 -10.165 690 1HG ARG 94 2HG ARG 94 6.923 -8.050 -9.695 691 2HG ARG 94 1HG ARG 94 8.048 -8.071 -11.057 692 1HD ARG 94 2HD ARG 94 7.073 -10.409 -11.541 693 2HD ARG 94 1HD ARG 94 5.755 -9.916 -10.480 694 HE ARG 94 HE ARG 94 6.289 -8.969 -13.148 695 1HH1 ARG 94 1HH1 ARG 94 4.691 -8.292 -10.117 696 2HH1 ARG 94 2HH1 ARG 94 3.531 -7.221 -10.826 697 1HH2 ARG 94 1HH2 ARG 94 4.764 -7.559 -14.079 698 2HH2 ARG 94 2HH2 ARG 94 3.571 -6.803 -13.075 699 H PHE 95 H PHE 95 7.043 -7.957 -7.188 700 HA PHE 95 HA PHE 95 4.232 -8.573 -7.765 701 1HB PHE 95 2HB PHE 95 4.904 -9.164 -5.373 702 2HB PHE 95 1HB PHE 95 5.100 -7.434 -5.112 703 HD1 PHE 95 1HD PHE 95 3.382 -6.828 -3.676 704 HD2 PHE 95 2HD PHE 95 2.522 -9.267 -7.060 705 HE1 PHE 95 1HE PHE 95 0.977 -6.631 -3.202 706 HE2 PHE 95 2HE PHE 95 0.119 -9.068 -6.596 707 HZ PHE 95 HZ PHE 95 -0.656 -7.743 -4.675 708 H THR 96 H THR 96 3.083 -6.894 -8.527 709 HA THR 96 HA THR 96 4.062 -4.178 -8.022 710 HB THR 96 HB THR 96 3.217 -4.844 -10.807 711 HG1 THR 96 1HG THR 96 5.861 -5.163 -9.839 712 1HG2 THR 96 1HG2 THR 96 3.554 -2.586 -10.662 713 2HG2 THR 96 2HG2 THR 96 5.145 -3.144 -11.182 714 3HG2 THR 96 3HG2 THR 96 4.861 -2.745 -9.485 715 H VAL 97 H VAL 97 2.515 -2.706 -7.733 716 HA VAL 97 HA VAL 97 -0.259 -3.420 -8.429 717 HB VAL 97 HB VAL 97 0.406 -1.832 -5.962 718 1HG1 VAL 97 1HG1 VAL 97 -2.002 -3.266 -7.016 719 2HG1 VAL 97 2HG1 VAL 97 -1.848 -1.595 -6.469 720 3HG1 VAL 97 3HG1 VAL 97 -1.830 -2.913 -5.297 721 1HG2 VAL 97 1HG2 VAL 97 1.060 -4.558 -6.325 722 2HG2 VAL 97 2HG2 VAL 97 -0.351 -4.495 -5.271 723 3HG2 VAL 97 3HG2 VAL 97 1.111 -3.609 -4.842 724 H ASN 98 H ASN 98 -1.714 -1.439 -8.439 725 HA ASN 98 HA ASN 98 -0.338 1.069 -8.964 726 1HB ASN 98 2HB ASN 98 -2.186 -0.030 -11.078 727 2HB ASN 98 1HB ASN 98 -1.098 1.356 -11.190 728 1HD2 ASN 98 1HD2 ASN 98 -1.517 -1.733 -12.144 729 2HD2 ASN 98 2HD2 ASN 98 0.123 -2.191 -12.413 730 H ASN 99 H ASN 99 -1.480 2.736 -8.227 731 HA ASN 99 HA ASN 99 -4.395 2.594 -8.161 732 1HB ASN 99 2HB ASN 99 -3.276 3.726 -5.686 733 2HB ASN 99 1HB ASN 99 -4.654 2.651 -5.914 734 1HD2 ASN 99 1HD2 ASN 99 -1.825 2.875 -4.421 735 2HD2 ASN 99 2HD2 ASN 99 -1.363 1.214 -4.359 736 HA PRO 100 HA PRO 100 -4.494 6.854 -9.223 737 1HB PRO 100 2HB PRO 100 -5.802 8.063 -7.074 738 2HB PRO 100 1HB PRO 100 -6.581 7.328 -8.482 739 1HG PRO 100 2HG PRO 100 -6.119 6.199 -5.761 740 2HG PRO 100 1HG PRO 100 -7.503 5.985 -6.849 741 1HD PRO 100 2HD PRO 100 -5.668 4.066 -6.529 742 2HD PRO 100 1HD PRO 100 -6.418 4.365 -8.107 743 H ASN 101 H ASN 101 -4.108 6.921 -5.675 744 HA ASN 101 HA ASN 101 -2.512 9.192 -5.584 745 1HB ASN 101 2HB ASN 101 -2.154 8.724 -3.328 746 2HB ASN 101 1HB ASN 101 -3.667 7.885 -3.665 747 1HD2 ASN 101 1HD2 ASN 101 -2.953 5.584 -4.784 748 2HD2 ASN 101 2HD2 ASN 101 -1.952 4.654 -3.723 749 H ALA 102 H ALA 102 -1.643 5.879 -6.255 750 HA ALA 102 HA ALA 102 1.090 5.921 -5.803 751 1HB ALA 102 1HB ALA 102 1.252 4.052 -7.261 752 2HB ALA 102 2HB ALA 102 -0.215 4.516 -8.123 753 3HB ALA 102 3HB ALA 102 -0.314 3.942 -6.458 754 H THR 103 H THR 103 -0.752 7.286 -8.453 755 HA THR 103 HA THR 103 -0.181 8.544 -10.259 756 HB THR 103 HB THR 103 1.469 10.259 -9.901 757 HG1 THR 103 1HG THR 103 2.336 8.922 -7.571 758 1HG2 THR 103 1HG2 THR 103 0.960 10.715 -7.311 759 2HG2 THR 103 2HG2 THR 103 -0.327 9.566 -7.681 760 3HG2 THR 103 3HG2 THR 103 -0.181 11.058 -8.611 761 H SER 104 H SER 104 0.303 7.213 -11.914 762 HA SER 104 HA SER 104 3.120 6.393 -12.201 763 1HB SER 104 2HB SER 104 1.074 4.650 -11.942 764 2HB SER 104 1HB SER 104 1.050 4.879 -13.691 765 HG SER 104 HG SER 104 2.483 3.174 -12.722 766 H THR 105 H THR 105 4.056 7.654 -13.668 767 HA THR 105 HA THR 105 2.625 8.155 -16.186 768 HB THR 105 HB THR 105 4.488 10.262 -15.255 769 HG1 THR 105 1HG THR 105 1.912 9.920 -14.123 770 1HG2 THR 105 1HG2 THR 105 3.392 11.543 -16.695 771 2HG2 THR 105 2HG2 THR 105 1.822 11.055 -16.059 772 3HG2 THR 105 3HG2 THR 105 2.629 10.062 -17.271 773 H CYS 106 H CYS 106 4.454 9.358 -17.684 774 HA CYS 106 HA CYS 106 6.663 7.418 -17.761 775 1HB CYS 106 2HB CYS 106 5.256 8.979 -19.917 776 2HB CYS 106 1HB CYS 106 6.828 8.237 -20.196 777 HG CYS 106 HG CYS 106 4.159 6.773 -20.050 778 H GLY 107 H GLY 107 8.413 8.246 -16.802 779 1HA GLY 107 2HA GLY 107 10.184 9.960 -17.716 780 2HA GLY 107 1HA GLY 107 9.000 11.101 -17.084 781 H CYS 108 H CYS 108 8.438 8.954 -14.923 782 HA CYS 108 HA CYS 108 10.200 10.080 -12.976 783 1HB CYS 108 2HB CYS 108 7.934 8.154 -12.968 784 2HB CYS 108 1HB CYS 108 9.056 8.079 -11.613 785 HG CYS 108 HG CYS 108 6.885 9.828 -11.468 786 H GLY 109 H GLY 109 11.463 8.694 -11.451 787 1HA GLY 109 2HA GLY 109 13.325 7.109 -12.947 788 2HA GLY 109 1HA GLY 109 13.374 7.421 -11.214 789 H SER 110 H SER 110 12.968 5.079 -13.526 790 HA SER 110 HA SER 110 12.151 3.144 -11.538 791 1HB SER 110 2HB SER 110 10.018 4.060 -12.585 792 2HB SER 110 1HB SER 110 10.547 3.310 -14.092 793 HG SER 110 HG SER 110 10.700 1.320 -12.774 794 H SER 111 H SER 111 14.366 2.540 -11.988 795 HA SER 111 HA SER 111 14.551 0.832 -14.376 796 1HB SER 111 2HB SER 111 15.879 2.853 -14.788 797 2HB SER 111 1HB SER 111 16.758 2.595 -13.281 798 HG SER 111 HG SER 111 16.694 0.700 -15.386 799 H PHE 112 H PHE 112 15.795 -1.054 -14.149 800 HA PHE 112 HA PHE 112 16.610 -1.716 -11.398 801 1HB PHE 112 2HB PHE 112 15.232 -3.626 -13.293 802 2HB PHE 112 1HB PHE 112 15.684 -3.936 -11.621 803 HD1 PHE 112 1HD PHE 112 13.010 -3.250 -13.674 804 HD2 PHE 112 2HD PHE 112 14.689 -2.041 -9.955 805 HE1 PHE 112 1HE PHE 112 10.800 -2.461 -12.937 806 HE2 PHE 112 2HE PHE 112 12.480 -1.251 -9.210 807 HZ PHE 112 HZ PHE 112 10.532 -1.461 -10.702 808 H SER 113 H SER 113 17.626 -4.178 -11.733 809 HA SER 113 HA SER 113 19.566 -3.997 -13.923 810 1HB SER 113 2HB SER 113 20.232 -4.463 -11.008 811 2HB SER 113 1HB SER 113 21.363 -4.718 -12.338 812 HG SER 113 HG SER 113 21.612 -2.648 -11.420 813 H ILE 114 H ILE 114 20.685 -6.040 -14.321 814 HA ILE 114 HA ILE 114 18.958 -8.174 -14.645 815 HB ILE 114 HB ILE 114 21.087 -9.554 -14.923 816 1HG1 ILE 114 2HG1 ILE 114 22.279 -7.587 -13.500 817 2HG1 ILE 114 1HG1 ILE 114 23.144 -8.652 -14.601 818 1HG2 ILE 114 1HG2 ILE 114 21.568 -8.557 -17.086 819 2HG2 ILE 114 2HG2 ILE 114 20.744 -7.076 -16.600 820 3HG2 ILE 114 3HG2 ILE 114 19.833 -8.575 -16.776 821 1HD1 ILE 114 1HD1 ILE 114 23.497 -7.009 -16.124 822 2HD1 ILE 114 2HD1 ILE 114 23.408 -6.023 -14.666 823 3HD1 ILE 114 3HD1 ILE 114 22.006 -6.157 -15.726 Start of MODEL 5 1 1H MET 1 1HT MET 1 -18.130 -10.241 -12.798 2 2H MET 1 2HT MET 1 -16.941 -9.016 -12.897 3 3H MET 1 3HT MET 1 -18.559 -8.615 -12.513 4 HA MET 1 HA MET 1 -16.863 -10.365 -10.873 5 1HB MET 1 2HB MET 1 -16.770 -7.525 -11.273 6 2HB MET 1 1HB MET 1 -17.332 -7.853 -9.641 7 1HG MET 1 2HG MET 1 -15.287 -8.344 -8.973 8 2HG MET 1 1HG MET 1 -15.118 -9.555 -10.242 9 1HE MET 1 1HE MET 1 -13.272 -9.125 -12.340 10 2HE MET 1 2HE MET 1 -13.663 -7.635 -13.200 11 3HE MET 1 3HE MET 1 -14.951 -8.744 -12.726 12 H ILE 2 H ILE 2 -17.776 -9.547 -8.468 13 HA ILE 2 HA ILE 2 -20.567 -10.434 -8.537 14 HB ILE 2 HB ILE 2 -19.353 -10.155 -5.889 15 1HG1 ILE 2 2HG1 ILE 2 -17.307 -10.774 -7.033 16 2HG1 ILE 2 1HG1 ILE 2 -17.901 -12.147 -6.104 17 1HG2 ILE 2 1HG2 ILE 2 -21.453 -11.478 -6.928 18 2HG2 ILE 2 2HG2 ILE 2 -20.662 -11.926 -5.418 19 3HG2 ILE 2 3HG2 ILE 2 -20.247 -12.769 -6.910 20 1HD1 ILE 2 1HD1 ILE 2 -17.430 -13.241 -8.013 21 2HD1 ILE 2 2HD1 ILE 2 -17.624 -11.802 -9.015 22 3HD1 ILE 2 3HD1 ILE 2 -19.044 -12.685 -8.455 23 H ASP 3 H ASP 3 -21.279 -9.511 -5.987 24 HA ASP 3 HA ASP 3 -21.153 -6.593 -6.173 25 1HB ASP 3 2HB ASP 3 -23.307 -7.881 -7.206 26 2HB ASP 3 1HB ASP 3 -23.836 -7.660 -5.540 27 H ASP 4 H ASP 4 -20.491 -9.088 -4.335 28 HA ASP 4 HA ASP 4 -21.452 -7.857 -1.844 29 1HB ASP 4 2HB ASP 4 -22.231 -10.213 -2.364 30 2HB ASP 4 1HB ASP 4 -20.542 -10.712 -2.213 31 H MET 5 H MET 5 -18.758 -9.440 -3.451 32 HA MET 5 HA MET 5 -16.942 -8.453 -1.364 33 1HB MET 5 2HB MET 5 -15.279 -10.001 -2.683 34 2HB MET 5 1HB MET 5 -16.438 -10.692 -1.564 35 1HG MET 5 2HG MET 5 -17.160 -12.012 -3.177 36 2HG MET 5 1HG MET 5 -17.733 -10.599 -4.054 37 1HE MET 5 1HE MET 5 -14.612 -9.250 -5.139 38 2HE MET 5 2HE MET 5 -16.357 -9.149 -5.336 39 3HE MET 5 3HE MET 5 -15.365 -9.784 -6.642 40 H ALA 6 H ALA 6 -14.564 -8.422 -2.864 41 HA ALA 6 HA ALA 6 -13.311 -7.112 -4.247 42 1HB ALA 6 1HB ALA 6 -14.227 -7.494 -6.257 43 2HB ALA 6 2HB ALA 6 -14.874 -5.864 -6.072 44 3HB ALA 6 3HB ALA 6 -15.865 -7.260 -5.674 45 H VAL 7 H VAL 7 -14.036 -6.140 -1.845 46 HA VAL 7 HA VAL 7 -15.389 -3.751 -1.749 47 HB VAL 7 HB VAL 7 -13.137 -3.698 0.108 48 1HG1 VAL 7 1HG1 VAL 7 -15.165 -2.447 0.454 49 2HG1 VAL 7 2HG1 VAL 7 -14.984 -3.643 1.738 50 3HG1 VAL 7 3HG1 VAL 7 -16.122 -3.930 0.422 51 1HG2 VAL 7 1HG2 VAL 7 -13.059 -6.079 -0.106 52 2HG2 VAL 7 2HG2 VAL 7 -14.819 -6.199 -0.025 53 3HG2 VAL 7 3HG2 VAL 7 -13.902 -5.700 1.396 54 HA PRO 8 HA PRO 8 -11.707 -1.137 -2.831 55 1HB PRO 8 2HB PRO 8 -9.384 -1.503 -1.712 56 2HB PRO 8 1HB PRO 8 -10.804 -1.428 -0.661 57 1HG PRO 8 2HG PRO 8 -9.247 -3.816 -1.560 58 2HG PRO 8 1HG PRO 8 -10.003 -3.499 0.013 59 1HD PRO 8 2HD PRO 8 -11.110 -4.936 -2.219 60 2HD PRO 8 1HD PRO 8 -11.890 -4.574 -0.669 61 H LEU 9 H LEU 9 -8.705 -2.293 -2.937 62 HA LEU 9 HA LEU 9 -8.340 -2.207 -5.681 63 1HB LEU 9 2HB LEU 9 -6.637 -1.845 -3.897 64 2HB LEU 9 1HB LEU 9 -6.619 -3.572 -3.609 65 HG LEU 9 HG LEU 9 -4.879 -3.656 -5.000 66 1HD1 LEU 9 1HD1 LEU 9 -6.357 -4.586 -6.576 67 2HD1 LEU 9 2HD1 LEU 9 -5.332 -3.457 -7.449 68 3HD1 LEU 9 3HD1 LEU 9 -6.977 -3.002 -7.034 69 1HD2 LEU 9 1HD2 LEU 9 -4.459 -1.664 -6.633 70 2HD2 LEU 9 2HD2 LEU 9 -4.152 -1.490 -4.906 71 3HD2 LEU 9 3HD2 LEU 9 -5.634 -0.851 -5.608 72 H THR 10 H THR 10 -8.632 -3.628 -7.267 73 HA THR 10 HA THR 10 -9.171 -6.429 -6.591 74 HB THR 10 HB THR 10 -9.691 -4.821 -9.094 75 HG1 THR 10 1HG THR 10 -11.338 -5.990 -7.117 76 1HG2 THR 10 1HG2 THR 10 -9.364 -7.655 -8.847 77 2HG2 THR 10 2HG2 THR 10 -9.707 -6.683 -10.281 78 3HG2 THR 10 3HG2 THR 10 -11.034 -7.263 -9.272 79 H PHE 11 H PHE 11 -7.583 -7.848 -6.845 80 HA PHE 11 HA PHE 11 -5.165 -7.093 -8.270 81 1HB PHE 11 2HB PHE 11 -4.143 -8.944 -7.184 82 2HB PHE 11 1HB PHE 11 -5.188 -8.194 -5.986 83 HD1 PHE 11 1HD PHE 11 -7.387 -9.256 -5.471 84 HD2 PHE 11 2HD PHE 11 -4.421 -11.100 -7.876 85 HE1 PHE 11 1HE PHE 11 -8.493 -11.437 -5.147 86 HE2 PHE 11 2HE PHE 11 -5.493 -13.275 -7.569 87 HZ PHE 11 HZ PHE 11 -7.544 -13.446 -6.211 88 H THR 12 H THR 12 -4.099 -9.181 -9.388 89 HA THR 12 HA THR 12 -5.859 -9.750 -11.631 90 HB THR 12 HB THR 12 -3.399 -9.091 -11.817 91 HG1 THR 12 1HG THR 12 -3.348 -11.265 -13.330 92 1HG2 THR 12 1HG2 THR 12 -1.733 -10.782 -11.696 93 2HG2 THR 12 2HG2 THR 12 -2.927 -12.005 -11.276 94 3HG2 THR 12 3HG2 THR 12 -2.554 -10.718 -10.137 95 H ASP 13 H ASP 13 -4.740 -12.245 -12.426 96 HA ASP 13 HA ASP 13 -6.249 -14.006 -10.660 97 1HB ASP 13 2HB ASP 13 -4.989 -14.509 -13.365 98 2HB ASP 13 1HB ASP 13 -5.990 -15.659 -12.484 99 H ALA 14 H ALA 14 -3.027 -13.660 -12.007 100 HA ALA 14 HA ALA 14 -1.878 -15.964 -10.946 101 1HB ALA 14 1HB ALA 14 0.249 -14.970 -11.432 102 2HB ALA 14 2HB ALA 14 -0.464 -13.357 -11.448 103 3HB ALA 14 3HB ALA 14 -0.880 -14.509 -12.706 104 H ALA 15 H ALA 15 -2.196 -12.718 -9.545 105 HA ALA 15 HA ALA 15 -0.595 -13.082 -7.307 106 1HB ALA 15 1HB ALA 15 -1.358 -11.067 -6.722 107 2HB ALA 15 2HB ALA 15 -3.021 -11.640 -6.645 108 3HB ALA 15 3HB ALA 15 -2.340 -11.110 -8.188 109 H ALA 16 H ALA 16 -3.774 -14.248 -8.081 110 HA ALA 16 HA ALA 16 -4.406 -15.289 -5.478 111 1HB ALA 16 1HB ALA 16 -6.134 -14.816 -7.191 112 2HB ALA 16 2HB ALA 16 -6.184 -16.484 -6.636 113 3HB ALA 16 3HB ALA 16 -5.447 -16.093 -8.194 114 H ASN 17 H ASN 17 -3.073 -16.492 -8.476 115 HA ASN 17 HA ASN 17 -2.899 -19.183 -7.936 116 1HB ASN 17 2HB ASN 17 -1.288 -17.335 -9.661 117 2HB ASN 17 1HB ASN 17 -0.847 -19.029 -9.523 118 1HD2 ASN 17 1HD2 ASN 17 -3.719 -17.030 -10.059 119 2HD2 ASN 17 2HD2 ASN 17 -4.370 -18.004 -11.319 120 H LYS 18 H LYS 18 -0.402 -16.678 -7.279 121 HA LYS 18 HA LYS 18 1.473 -18.472 -6.232 122 1HB LYS 18 2HB LYS 18 2.462 -16.489 -5.088 123 2HB LYS 18 1HB LYS 18 2.199 -16.271 -6.811 124 1HG LYS 18 2HG LYS 18 1.557 -14.261 -5.770 125 2HG LYS 18 1HG LYS 18 0.062 -15.085 -6.219 126 1HD LYS 18 2HD LYS 18 -0.584 -15.290 -4.095 127 2HD LYS 18 1HD LYS 18 1.015 -15.797 -3.557 128 1HE LYS 18 2HE LYS 18 0.623 -12.946 -4.293 129 2HE LYS 18 1HE LYS 18 -0.081 -13.509 -2.778 130 1HZ LYS 18 1HZ LYS 18 2.770 -13.881 -3.515 131 2HZ LYS 18 2HZ LYS 18 2.055 -14.198 -2.015 132 3HZ LYS 18 3HZ LYS 18 2.200 -12.605 -2.562 133 H VAL 19 H VAL 19 -1.382 -17.045 -4.834 134 HA VAL 19 HA VAL 19 -0.735 -17.721 -2.125 135 HB VAL 19 HB VAL 19 -3.416 -17.104 -3.387 136 1HG1 VAL 19 1HG1 VAL 19 -2.674 -17.971 -0.704 137 2HG1 VAL 19 2HG1 VAL 19 -4.253 -17.931 -1.484 138 3HG1 VAL 19 3HG1 VAL 19 -3.610 -16.477 -0.718 139 1HG2 VAL 19 1HG2 VAL 19 -2.500 -15.053 -3.522 140 2HG2 VAL 19 2HG2 VAL 19 -1.234 -15.427 -2.356 141 3HG2 VAL 19 3HG2 VAL 19 -2.842 -14.994 -1.795 142 H LYS 20 H LYS 20 -3.342 -18.916 -4.194 143 HA LYS 20 HA LYS 20 -3.936 -21.220 -2.790 144 1HB LYS 20 2HB LYS 20 -4.747 -22.037 -5.106 145 2HB LYS 20 1HB LYS 20 -5.528 -20.654 -4.352 146 1HG LYS 20 2HG LYS 20 -4.978 -19.320 -6.039 147 2HG LYS 20 1HG LYS 20 -3.294 -19.844 -5.998 148 1HD LYS 20 2HD LYS 20 -4.548 -20.291 -8.152 149 2HD LYS 20 1HD LYS 20 -3.739 -21.686 -7.431 150 1HE LYS 20 2HE LYS 20 -5.662 -22.787 -7.234 151 2HE LYS 20 1HE LYS 20 -6.421 -21.425 -6.413 152 1HZ LYS 20 1HZ LYS 20 -7.696 -21.424 -8.249 153 2HZ LYS 20 2HZ LYS 20 -6.538 -22.201 -9.208 154 3HZ LYS 20 3HZ LYS 20 -6.417 -20.537 -8.916 155 H SER 21 H SER 21 -1.220 -20.620 -4.810 156 HA SER 21 HA SER 21 -0.785 -23.403 -5.391 157 1HB SER 21 2HB SER 21 0.828 -20.933 -6.024 158 2HB SER 21 1HB SER 21 1.327 -22.559 -6.477 159 HG SER 21 HG SER 21 -0.170 -21.028 -7.880 160 H LEU 22 H LEU 22 0.825 -20.925 -3.414 161 HA LEU 22 HA LEU 22 2.703 -22.886 -2.445 162 1HB LEU 22 2HB LEU 22 3.972 -21.173 -1.772 163 2HB LEU 22 1HB LEU 22 2.916 -20.226 -2.794 164 HG LEU 22 HG LEU 22 3.337 -19.130 -0.663 165 1HD1 LEU 22 1HD1 LEU 22 1.325 -18.487 -1.593 166 2HD1 LEU 22 2HD1 LEU 22 0.897 -18.923 0.059 167 3HD1 LEU 22 3HD1 LEU 22 0.561 -20.031 -1.262 168 1HD2 LEU 22 1HD2 LEU 22 3.140 -20.062 1.366 169 2HD2 LEU 22 2HD2 LEU 22 3.290 -21.575 0.483 170 3HD2 LEU 22 3HD2 LEU 22 1.693 -20.977 0.933 171 H ILE 23 H ILE 23 -0.336 -21.561 -1.454 172 HA ILE 23 HA ILE 23 -0.118 -22.308 1.279 173 HB ILE 23 HB ILE 23 -2.553 -22.001 1.342 174 1HG1 ILE 23 2HG1 ILE 23 -3.250 -20.789 -0.967 175 2HG1 ILE 23 1HG1 ILE 23 -2.151 -22.022 -1.574 176 1HG2 ILE 23 1HG2 ILE 23 -0.609 -20.007 0.433 177 2HG2 ILE 23 2HG2 ILE 23 -1.693 -19.974 1.817 178 3HG2 ILE 23 3HG2 ILE 23 -2.293 -19.552 0.212 179 1HD1 ILE 23 1HD1 ILE 23 -3.754 -23.541 -1.426 180 2HD1 ILE 23 2HD1 ILE 23 -4.861 -22.294 -0.840 181 3HD1 ILE 23 3HD1 ILE 23 -3.902 -23.229 0.308 182 H SER 24 H SER 24 -1.673 -23.710 -1.573 183 HA SER 24 HA SER 24 -2.686 -26.015 -0.375 184 1HB SER 24 2HB SER 24 -1.967 -25.194 -3.148 185 2HB SER 24 1HB SER 24 -2.205 -26.920 -2.842 186 HG SER 24 HG SER 24 -4.265 -26.245 -1.864 187 H GLU 25 H GLU 25 0.480 -25.034 -1.254 188 HA GLU 25 HA GLU 25 1.637 -27.647 -1.236 189 1HB GLU 25 2HB GLU 25 2.428 -25.073 -2.094 190 2HB GLU 25 1HB GLU 25 3.581 -25.570 -0.864 191 1HG GLU 25 2HG GLU 25 3.040 -27.718 -2.698 192 2HG GLU 25 1HG GLU 25 3.581 -26.267 -3.550 193 H GLU 26 H GLU 26 0.802 -25.240 1.090 194 HA GLU 26 HA GLU 26 2.719 -26.111 3.056 195 1HB GLU 26 2HB GLU 26 0.320 -24.312 3.231 196 2HB GLU 26 1HB GLU 26 1.371 -24.661 4.595 197 1HG GLU 26 2HG GLU 26 3.234 -23.637 3.482 198 2HG GLU 26 1HG GLU 26 2.283 -23.423 2.018 199 H GLU 27 H GLU 27 -0.316 -27.096 1.917 200 HA GLU 27 HA GLU 27 -1.536 -28.959 2.436 201 1HB GLU 27 2HB GLU 27 0.794 -29.558 3.746 202 2HB GLU 27 1HB GLU 27 -0.341 -29.472 5.087 203 1HG GLU 27 2HG GLU 27 -0.786 -31.596 4.613 204 2HG GLU 27 1HG GLU 27 -1.712 -30.975 3.252 205 H ASN 28 H ASN 28 -1.532 -26.069 3.662 206 HA ASN 28 HA ASN 28 -2.877 -26.123 6.101 207 1HB ASN 28 2HB ASN 28 -3.821 -24.105 4.136 208 2HB ASN 28 1HB ASN 28 -3.324 -23.894 5.811 209 1HD2 ASN 28 1HD2 ASN 28 -2.533 -23.439 2.628 210 2HD2 ASN 28 2HD2 ASN 28 -0.878 -23.015 2.836 211 H THR 29 H THR 29 -4.429 -25.454 2.990 212 HA THR 29 HA THR 29 -6.268 -27.425 2.763 213 HB THR 29 HB THR 29 -7.157 -27.269 4.923 214 HG1 THR 29 1HG THR 29 -8.763 -26.967 3.177 215 1HG2 THR 29 1HG2 THR 29 -7.932 -24.534 5.196 216 2HG2 THR 29 2HG2 THR 29 -6.192 -24.622 4.882 217 3HG2 THR 29 3HG2 THR 29 -6.890 -25.510 6.233 218 H ASP 30 H ASP 30 -6.276 -23.874 3.054 219 HA ASP 30 HA ASP 30 -6.666 -23.269 0.390 220 1HB ASP 30 2HB ASP 30 -9.141 -24.100 1.753 221 2HB ASP 30 1HB ASP 30 -9.251 -22.528 0.967 222 H LEU 31 H LEU 31 -5.116 -22.047 1.744 223 HA LEU 31 HA LEU 31 -5.805 -20.182 3.645 224 1HB LEU 31 2HB LEU 31 -3.557 -20.948 2.130 225 2HB LEU 31 1HB LEU 31 -3.644 -19.204 2.088 226 HG LEU 31 HG LEU 31 -2.256 -19.803 3.915 227 1HD1 LEU 31 1HD1 LEU 31 -3.339 -18.711 5.684 228 2HD1 LEU 31 2HD1 LEU 31 -4.924 -19.278 5.165 229 3HD1 LEU 31 3HD1 LEU 31 -4.071 -18.062 4.225 230 1HD2 LEU 31 1HD2 LEU 31 -3.871 -22.104 4.032 231 2HD2 LEU 31 2HD2 LEU 31 -4.081 -21.267 5.574 232 3HD2 LEU 31 3HD2 LEU 31 -2.465 -21.708 5.030 233 H LYS 32 H LYS 32 -5.953 -17.969 3.619 234 HA LYS 32 HA LYS 32 -7.033 -16.814 1.135 235 1HB LYS 32 2HB LYS 32 -7.673 -15.738 3.865 236 2HB LYS 32 1HB LYS 32 -8.596 -15.590 2.380 237 1HG LYS 32 2HG LYS 32 -9.383 -17.814 2.531 238 2HG LYS 32 1HG LYS 32 -8.238 -18.202 3.816 239 1HD LYS 32 2HD LYS 32 -10.472 -17.876 4.719 240 2HD LYS 32 1HD LYS 32 -9.378 -16.626 5.305 241 1HE LYS 32 2HE LYS 32 -10.235 -15.124 3.516 242 2HE LYS 32 1HE LYS 32 -11.421 -16.366 3.101 243 1HZ LYS 32 1HZ LYS 32 -12.112 -14.491 4.672 244 2HZ LYS 32 2HZ LYS 32 -11.222 -15.318 5.851 245 3HZ LYS 32 3HZ LYS 32 -12.537 -16.077 5.095 246 H LEU 33 H LEU 33 -5.816 -15.223 0.290 247 HA LEU 33 HA LEU 33 -3.425 -14.361 1.414 248 1HB LEU 33 2HB LEU 33 -4.289 -14.276 -1.015 249 2HB LEU 33 1HB LEU 33 -5.010 -12.751 -0.559 250 HG LEU 33 HG LEU 33 -2.764 -12.665 -1.743 251 1HD1 LEU 33 1HD1 LEU 33 -3.723 -11.180 0.565 252 2HD1 LEU 33 2HD1 LEU 33 -3.099 -10.603 -0.971 253 3HD1 LEU 33 3HD1 LEU 33 -1.985 -11.042 0.323 254 1HD2 LEU 33 1HD2 LEU 33 -0.938 -13.574 -0.857 255 2HD2 LEU 33 2HD2 LEU 33 -2.007 -14.431 0.251 256 3HD2 LEU 33 3HD2 LEU 33 -1.283 -12.897 0.733 257 H ARG 34 H ARG 34 -2.782 -12.398 2.333 258 HA ARG 34 HA ARG 34 -4.858 -10.532 3.141 259 1HB ARG 34 2HB ARG 34 -4.841 -11.906 5.062 260 2HB ARG 34 1HB ARG 34 -3.092 -12.024 5.064 261 1HG ARG 34 2HG ARG 34 -3.092 -9.515 5.518 262 2HG ARG 34 1HG ARG 34 -4.811 -9.704 5.866 263 1HD ARG 34 2HD ARG 34 -4.298 -11.333 7.595 264 2HD ARG 34 1HD ARG 34 -2.580 -11.212 7.220 265 HE ARG 34 HE ARG 34 -3.807 -8.708 7.934 266 1HH1 ARG 34 1HH1 ARG 34 -2.219 -11.573 9.131 267 2HH1 ARG 34 2HH1 ARG 34 -1.685 -10.819 10.597 268 1HH2 ARG 34 1HH2 ARG 34 -3.108 -7.712 9.859 269 2HH2 ARG 34 2HH2 ARG 34 -2.192 -8.625 11.009 270 H VAL 35 H VAL 35 -4.066 -8.920 1.957 271 HA VAL 35 HA VAL 35 -1.292 -8.327 1.730 272 HB VAL 35 HB VAL 35 -3.588 -6.505 1.063 273 1HG1 VAL 35 1HG1 VAL 35 -0.745 -6.678 0.079 274 2HG1 VAL 35 2HG1 VAL 35 -1.473 -5.374 1.016 275 3HG1 VAL 35 3HG1 VAL 35 -1.987 -5.658 -0.647 276 1HG2 VAL 35 1HG2 VAL 35 -4.130 -8.416 -0.113 277 2HG2 VAL 35 2HG2 VAL 35 -2.446 -8.842 -0.410 278 3HG2 VAL 35 3HG2 VAL 35 -3.188 -7.494 -1.277 279 H TYR 36 H TYR 36 -0.214 -6.498 2.356 280 HA TYR 36 HA TYR 36 -1.338 -4.837 4.483 281 1HB TYR 36 2HB TYR 36 1.200 -5.114 5.420 282 2HB TYR 36 1HB TYR 36 -0.168 -6.046 6.015 283 HD1 TYR 36 1HD TYR 36 3.099 -6.249 4.771 284 HD2 TYR 36 2HD TYR 36 -0.642 -8.271 4.664 285 HE1 TYR 36 1HE TYR 36 4.251 -8.327 4.139 286 HE2 TYR 36 2HE TYR 36 0.496 -10.355 4.034 287 HH TYR 36 HH TYR 36 3.638 -10.929 4.424 288 H ILE 37 H ILE 37 0.588 -3.113 4.999 289 HA ILE 37 HA ILE 37 1.041 -1.877 2.421 290 HB ILE 37 HB ILE 37 1.407 -0.926 5.249 291 1HG1 ILE 37 2HG1 ILE 37 -0.854 -0.836 4.363 292 2HG1 ILE 37 1HG1 ILE 37 -0.209 0.801 4.492 293 1HG2 ILE 37 1HG2 ILE 37 2.668 0.107 2.793 294 2HG2 ILE 37 2HG2 ILE 37 3.162 0.266 4.480 295 3HG2 ILE 37 3HG2 ILE 37 1.892 1.306 3.833 296 1HD1 ILE 37 1HD1 ILE 37 -1.135 0.931 2.433 297 2HD1 ILE 37 2HD1 ILE 37 -0.902 -0.784 2.094 298 3HD1 ILE 37 3HD1 ILE 37 0.459 0.332 1.977 299 H THR 38 H THR 38 2.786 -2.246 1.262 300 HA THR 38 HA THR 38 5.406 -2.262 2.499 301 HB THR 38 HB THR 38 4.692 -4.585 0.729 302 HG1 THR 38 1HG THR 38 4.569 -5.773 2.744 303 1HG2 THR 38 1HG2 THR 38 7.017 -3.796 2.358 304 2HG2 THR 38 2HG2 THR 38 6.937 -4.679 0.834 305 3HG2 THR 38 3HG2 THR 38 6.583 -5.506 2.353 306 H GLY 39 H GLY 39 3.988 -0.542 0.682 307 1HA GLY 39 2HA GLY 39 4.705 -0.897 -2.001 308 2HA GLY 39 1HA GLY 39 4.345 0.648 -1.241 309 H GLY 40 H GLY 40 5.936 1.716 -2.426 310 1HA GLY 40 2HA GLY 40 8.706 0.845 -2.099 311 2HA GLY 40 1HA GLY 40 8.132 2.127 -3.163 312 H GLY 41 H GLY 41 7.166 1.952 0.191 313 1HA GLY 41 2HA GLY 41 8.250 3.057 2.022 314 2HA GLY 41 1HA GLY 41 9.087 4.076 0.862 315 H CYS 42 H CYS 42 8.116 5.926 0.108 316 HA CYS 42 HA CYS 42 6.053 7.025 1.749 317 1HB CYS 42 2HB CYS 42 7.586 8.018 -0.639 318 2HB CYS 42 1HB CYS 42 6.233 8.936 0.012 319 HG CYS 42 HG CYS 42 8.507 9.744 1.067 320 H SER 43 H SER 43 6.178 5.510 -1.384 321 HA SER 43 HA SER 43 3.411 6.259 -1.955 322 1HB SER 43 2HB SER 43 5.248 4.615 -3.701 323 2HB SER 43 1HB SER 43 3.783 5.471 -4.179 324 HG SER 43 HG SER 43 4.879 7.268 -4.319 325 H GLY 44 H GLY 44 2.549 4.097 -3.407 326 1HA GLY 44 2HA GLY 44 2.831 1.696 -1.800 327 2HA GLY 44 1HA GLY 44 1.256 2.469 -1.716 328 H PHE 45 H PHE 45 3.451 0.626 -3.674 329 HA PHE 45 HA PHE 45 1.257 0.155 -5.567 330 1HB PHE 45 2HB PHE 45 2.693 0.291 -7.460 331 2HB PHE 45 1HB PHE 45 2.996 1.737 -6.495 332 HD1 PHE 45 1HD PHE 45 4.934 1.384 -4.681 333 HD2 PHE 45 2HD PHE 45 4.512 -0.795 -8.311 334 HE1 PHE 45 1HE PHE 45 7.326 0.834 -4.621 335 HE2 PHE 45 2HE PHE 45 6.907 -1.349 -8.262 336 HZ PHE 45 HZ PHE 45 8.321 -0.534 -6.415 337 H GLN 46 H GLN 46 3.343 -1.223 -3.385 338 HA GLN 46 HA GLN 46 3.426 -3.764 -4.863 339 1HB GLN 46 2HB GLN 46 5.132 -2.685 -2.636 340 2HB GLN 46 1HB GLN 46 5.104 -4.399 -3.030 341 1HG GLN 46 2HG GLN 46 6.033 -4.043 -5.146 342 2HG GLN 46 1HG GLN 46 5.687 -2.314 -5.097 343 1HE2 GLN 46 1HE2 GLN 46 6.768 -1.134 -3.301 344 2HE2 GLN 46 2HE2 GLN 46 8.414 -1.542 -2.954 345 H TYR 47 H TYR 47 3.479 -3.019 -1.397 346 HA TYR 47 HA TYR 47 2.156 -3.702 0.328 347 1HB TYR 47 2HB TYR 47 0.202 -4.754 -1.722 348 2HB TYR 47 1HB TYR 47 -0.117 -4.352 -0.040 349 HD1 TYR 47 1HD TYR 47 -0.235 -2.007 0.681 350 HD2 TYR 47 2HD TYR 47 0.268 -3.048 -3.410 351 HE1 TYR 47 1HE TYR 47 -0.882 0.274 0.030 352 HE2 TYR 47 2HE TYR 47 -0.375 -0.768 -4.077 353 HH TYR 47 HH TYR 47 -0.620 1.800 -1.836 354 H GLY 48 H GLY 48 2.844 -5.330 1.495 355 1HA GLY 48 2HA GLY 48 3.791 -7.756 0.320 356 2HA GLY 48 1HA GLY 48 3.723 -7.395 2.036 357 H PHE 49 H PHE 49 2.897 -9.710 0.142 358 HA PHE 49 HA PHE 49 0.130 -10.025 1.052 359 1HB PHE 49 2HB PHE 49 1.711 -11.135 -1.224 360 2HB PHE 49 1HB PHE 49 0.327 -12.039 -0.620 361 HD1 PHE 49 1HD PHE 49 -1.169 -11.849 -2.385 362 HD2 PHE 49 2HD PHE 49 0.692 -8.371 -0.812 363 HE1 PHE 49 1HE PHE 49 -2.699 -10.448 -3.701 364 HE2 PHE 49 2HE PHE 49 -0.815 -6.952 -2.118 365 HZ PHE 49 HZ PHE 49 -2.521 -7.990 -3.577 366 H THR 50 H THR 50 -0.478 -11.566 2.414 367 HA THR 50 HA THR 50 1.432 -13.702 3.100 368 HB THR 50 HB THR 50 1.267 -11.850 4.872 369 HG1 THR 50 1HG THR 50 1.455 -13.347 6.464 370 1HG2 THR 50 1HG2 THR 50 -0.579 -11.602 6.194 371 2HG2 THR 50 2HG2 THR 50 -1.222 -13.197 5.786 372 3HG2 THR 50 3HG2 THR 50 -1.326 -11.874 4.619 373 H PHE 51 H PHE 51 0.288 -15.598 4.137 374 HA PHE 51 HA PHE 51 -2.359 -15.893 2.915 375 1HB PHE 51 2HB PHE 51 -0.563 -18.186 3.664 376 2HB PHE 51 1HB PHE 51 -1.865 -18.149 2.480 377 HD1 PHE 51 1HD PHE 51 1.639 -17.680 3.051 378 HD2 PHE 51 2HD PHE 51 -1.561 -16.786 0.400 379 HE1 PHE 51 1HE PHE 51 3.267 -17.072 1.311 380 HE2 PHE 51 2HE PHE 51 0.063 -16.178 -1.356 381 HZ PHE 51 HZ PHE 51 2.480 -16.318 -0.897 382 H ASP 52 H ASP 52 -3.733 -15.359 4.445 383 HA ASP 52 HA ASP 52 -3.501 -16.714 7.051 384 1HB ASP 52 2HB ASP 52 -4.439 -14.835 8.137 385 2HB ASP 52 1HB ASP 52 -3.254 -14.176 7.007 386 H GLU 53 H GLU 53 -4.852 -18.317 7.173 387 HA GLU 53 HA GLU 53 -7.288 -18.449 5.649 388 1HB GLU 53 2HB GLU 53 -5.530 -20.290 6.843 389 2HB GLU 53 1HB GLU 53 -7.076 -20.506 7.651 390 1HG GLU 53 2HG GLU 53 -7.492 -20.275 4.835 391 2HG GLU 53 1HG GLU 53 -6.265 -21.501 5.162 392 H LYS 54 H LYS 54 -6.465 -17.276 8.741 393 HA LYS 54 HA LYS 54 -8.771 -17.949 10.166 394 1HB LYS 54 2HB LYS 54 -8.117 -15.828 11.528 395 2HB LYS 54 1HB LYS 54 -7.082 -17.241 11.552 396 1HG LYS 54 2HG LYS 54 -6.184 -15.676 9.403 397 2HG LYS 54 1HG LYS 54 -6.496 -14.560 10.731 398 1HD LYS 54 2HD LYS 54 -4.511 -15.142 11.558 399 2HD LYS 54 1HD LYS 54 -5.219 -16.713 11.935 400 1HE LYS 54 2HE LYS 54 -3.673 -17.589 10.589 401 2HE LYS 54 1HE LYS 54 -4.591 -16.900 9.246 402 1HZ LYS 54 1HZ LYS 54 -2.594 -15.957 8.833 403 2HZ LYS 54 2HZ LYS 54 -2.092 -15.997 10.448 404 3HZ LYS 54 3HZ LYS 54 -3.160 -14.798 9.927 405 H VAL 55 H VAL 55 -8.449 -14.532 10.126 406 HA VAL 55 HA VAL 55 -10.473 -14.005 8.155 407 HB VAL 55 HB VAL 55 -11.293 -13.290 10.942 408 1HG1 VAL 55 1HG1 VAL 55 -12.568 -13.355 8.258 409 2HG1 VAL 55 2HG1 VAL 55 -12.542 -12.072 9.469 410 3HG1 VAL 55 3HG1 VAL 55 -13.569 -13.487 9.706 411 1HG2 VAL 55 1HG2 VAL 55 -12.754 -15.215 11.057 412 2HG2 VAL 55 2HG2 VAL 55 -11.072 -15.722 10.944 413 3HG2 VAL 55 3HG2 VAL 55 -12.122 -15.817 9.530 414 H ASN 56 H ASN 56 -9.207 -12.692 11.196 415 HA ASN 56 HA ASN 56 -8.307 -10.675 11.717 416 1HB ASN 56 2HB ASN 56 -7.921 -10.474 8.721 417 2HB ASN 56 1HB ASN 56 -7.288 -9.314 9.888 418 1HD2 ASN 56 1HD2 ASN 56 -7.362 -12.813 9.345 419 2HD2 ASN 56 2HD2 ASN 56 -5.722 -13.084 9.792 420 H ASP 57 H ASP 57 -10.575 -10.409 12.325 421 HA ASP 57 HA ASP 57 -12.598 -9.311 10.861 422 1HB ASP 57 2HB ASP 57 -11.934 -8.467 13.689 423 2HB ASP 57 1HB ASP 57 -13.515 -8.403 12.919 424 H GLY 58 H GLY 58 -9.719 -7.621 11.944 425 1HA GLY 58 2HA GLY 58 -10.822 -5.069 11.015 426 2HA GLY 58 1HA GLY 58 -9.312 -5.283 11.905 427 H ASP 59 H ASP 59 -10.622 -6.851 9.010 428 HA ASP 59 HA ASP 59 -8.591 -5.643 7.314 429 1HB ASP 59 2HB ASP 59 -8.090 -8.174 8.542 430 2HB ASP 59 1HB ASP 59 -8.441 -8.485 6.848 431 H LEU 60 H LEU 60 -9.823 -5.011 5.600 432 HA LEU 60 HA LEU 60 -12.308 -6.134 4.962 433 1HB LEU 60 2HB LEU 60 -10.435 -4.509 3.244 434 2HB LEU 60 1HB LEU 60 -12.023 -5.007 2.720 435 HG LEU 60 HG LEU 60 -11.618 -2.618 3.717 436 1HD1 LEU 60 1HD1 LEU 60 -13.768 -2.882 3.117 437 2HD1 LEU 60 2HD1 LEU 60 -14.017 -3.016 4.859 438 3HD1 LEU 60 3HD1 LEU 60 -13.900 -4.472 3.869 439 1HD2 LEU 60 1HD2 LEU 60 -12.240 -2.564 6.127 440 2HD2 LEU 60 2HD2 LEU 60 -10.638 -3.232 5.812 441 3HD2 LEU 60 3HD2 LEU 60 -11.992 -4.308 6.182 442 H THR 61 H THR 61 -12.929 -7.575 3.255 443 HA THR 61 HA THR 61 -10.692 -9.195 2.268 444 HB THR 61 HB THR 61 -11.673 -11.187 2.893 445 HG1 THR 61 1HG THR 61 -13.691 -11.296 2.324 446 1HG2 THR 61 1HG2 THR 61 -11.785 -11.093 5.128 447 2HG2 THR 61 2HG2 THR 61 -12.975 -9.788 5.124 448 3HG2 THR 61 3HG2 THR 61 -11.260 -9.426 4.864 449 H ILE 62 H ILE 62 -10.616 -9.688 0.265 450 HA ILE 62 HA ILE 62 -12.976 -9.417 -1.471 451 HB ILE 62 HB ILE 62 -11.088 -8.953 -3.240 452 1HG1 ILE 62 2HG1 ILE 62 -9.307 -9.271 -1.434 453 2HG1 ILE 62 1HG1 ILE 62 -9.141 -7.862 -2.471 454 1HG2 ILE 62 1HG2 ILE 62 -11.734 -6.664 -1.429 455 2HG2 ILE 62 2HG2 ILE 62 -12.990 -7.476 -2.353 456 3HG2 ILE 62 3HG2 ILE 62 -11.646 -6.701 -3.189 457 1HD1 ILE 62 1HD1 ILE 62 -8.838 -6.757 -0.558 458 2HD1 ILE 62 2HD1 ILE 62 -9.554 -8.043 0.412 459 3HD1 ILE 62 3HD1 ILE 62 -10.590 -6.857 -0.384 460 H GLU 63 H GLU 63 -13.444 -11.325 -2.495 461 HA GLU 63 HA GLU 63 -11.986 -13.659 -2.017 462 1HB GLU 63 2HB GLU 63 -14.414 -13.406 -2.771 463 2HB GLU 63 1HB GLU 63 -13.774 -13.298 -4.401 464 1HG GLU 63 2HG GLU 63 -13.200 -15.492 -4.476 465 2HG GLU 63 1HG GLU 63 -12.896 -15.584 -2.742 466 H LYS 64 H LYS 64 -10.763 -15.012 -3.423 467 HA LYS 64 HA LYS 64 -9.340 -13.509 -5.514 468 1HB LYS 64 2HB LYS 64 -8.324 -15.751 -3.757 469 2HB LYS 64 1HB LYS 64 -7.417 -15.016 -5.080 470 1HG LYS 64 2HG LYS 64 -7.629 -12.829 -3.883 471 2HG LYS 64 1HG LYS 64 -8.320 -13.706 -2.525 472 1HD LYS 64 2HD LYS 64 -6.109 -13.572 -1.907 473 2HD LYS 64 1HD LYS 64 -6.136 -15.135 -2.708 474 1HE LYS 64 2HE LYS 64 -4.349 -14.293 -3.796 475 2HE LYS 64 1HE LYS 64 -5.586 -13.557 -4.811 476 1HZ LYS 64 1HZ LYS 64 -3.639 -12.187 -3.635 477 2HZ LYS 64 2HZ LYS 64 -4.834 -12.056 -2.446 478 3HZ LYS 64 3HZ LYS 64 -5.145 -11.516 -4.019 479 H SER 65 H SER 65 -8.257 -15.022 -7.126 480 HA SER 65 HA SER 65 -10.130 -16.247 -8.708 481 1HB SER 65 2HB SER 65 -7.422 -15.747 -8.867 482 2HB SER 65 1HB SER 65 -7.504 -17.508 -8.933 483 HG SER 65 HG SER 65 -7.927 -17.120 -10.966 484 H GLY 66 H GLY 66 -8.077 -17.765 -6.252 485 1HA GLY 66 2HA GLY 66 -9.828 -20.131 -6.422 486 2HA GLY 66 1HA GLY 66 -8.081 -20.301 -6.356 487 H VAL 67 H VAL 67 -9.053 -17.701 -4.476 488 HA VAL 67 HA VAL 67 -9.680 -19.225 -2.093 489 HB VAL 67 HB VAL 67 -7.787 -18.539 -0.786 490 1HG1 VAL 67 1HG1 VAL 67 -7.595 -20.602 -2.131 491 2HG1 VAL 67 2HG1 VAL 67 -6.038 -19.838 -1.791 492 3HG1 VAL 67 3HG1 VAL 67 -6.780 -19.665 -3.384 493 1HG2 VAL 67 1HG2 VAL 67 -7.500 -16.377 -2.161 494 2HG2 VAL 67 2HG2 VAL 67 -6.460 -17.356 -3.195 495 3HG2 VAL 67 3HG2 VAL 67 -6.064 -17.145 -1.489 496 H GLN 68 H GLN 68 -8.693 -16.982 -0.374 497 HA GLN 68 HA GLN 68 -10.525 -14.851 -1.233 498 1HB GLN 68 2HB GLN 68 -10.762 -16.581 1.075 499 2HB GLN 68 1HB GLN 68 -10.628 -14.900 1.569 500 1HG GLN 68 2HG GLN 68 -12.494 -15.427 -0.642 501 2HG GLN 68 1HG GLN 68 -12.938 -16.109 0.922 502 1HE2 GLN 68 1HE2 GLN 68 -11.147 -13.146 0.357 503 2HE2 GLN 68 2HE2 GLN 68 -12.325 -12.083 1.013 504 H LEU 69 H LEU 69 -9.769 -12.818 -0.987 505 HA LEU 69 HA LEU 69 -7.123 -12.515 0.256 506 1HB LEU 69 2HB LEU 69 -7.078 -11.855 -2.014 507 2HB LEU 69 1HB LEU 69 -8.567 -10.953 -1.867 508 HG LEU 69 HG LEU 69 -7.519 -9.147 -0.814 509 1HD1 LEU 69 1HD1 LEU 69 -6.080 -9.541 0.832 510 2HD1 LEU 69 2HD1 LEU 69 -4.850 -9.833 -0.394 511 3HD1 LEU 69 3HD1 LEU 69 -5.779 -11.175 0.249 512 1HD2 LEU 69 1HD2 LEU 69 -5.805 -8.500 -2.302 513 2HD2 LEU 69 2HD2 LEU 69 -6.877 -9.559 -3.222 514 3HD2 LEU 69 3HD2 LEU 69 -5.348 -10.176 -2.597 515 H VAL 70 H VAL 70 -6.802 -11.119 1.943 516 HA VAL 70 HA VAL 70 -8.961 -9.309 2.688 517 HB VAL 70 HB VAL 70 -9.444 -10.195 4.698 518 1HG1 VAL 70 1HG1 VAL 70 -8.235 -12.481 3.201 519 2HG1 VAL 70 2HG1 VAL 70 -9.931 -12.123 3.527 520 3HG1 VAL 70 3HG1 VAL 70 -8.890 -12.719 4.819 521 1HG2 VAL 70 1HG2 VAL 70 -7.838 -11.263 6.223 522 2HG2 VAL 70 2HG2 VAL 70 -7.311 -9.660 5.710 523 3HG2 VAL 70 3HG2 VAL 70 -6.586 -11.099 4.994 524 H ILE 71 H ILE 71 -8.029 -7.372 2.599 525 HA ILE 71 HA ILE 71 -5.222 -7.141 3.398 526 HB ILE 71 HB ILE 71 -5.008 -5.210 2.113 527 1HG1 ILE 71 2HG1 ILE 71 -7.002 -4.031 2.945 528 2HG1 ILE 71 1HG1 ILE 71 -6.868 -3.924 1.196 529 1HG2 ILE 71 1HG2 ILE 71 -7.034 -6.794 0.550 530 2HG2 ILE 71 2HG2 ILE 71 -5.380 -7.332 0.829 531 3HG2 ILE 71 3HG2 ILE 71 -5.685 -5.847 -0.070 532 1HD1 ILE 71 1HD1 ILE 71 -9.092 -4.389 1.452 533 2HD1 ILE 71 2HD1 ILE 71 -8.821 -5.427 2.853 534 3HD1 ILE 71 3HD1 ILE 71 -8.421 -6.006 1.236 535 H ASP 72 H ASP 72 -4.559 -5.080 4.447 536 HA ASP 72 HA ASP 72 -6.160 -4.730 6.836 537 1HB ASP 72 2HB ASP 72 -3.567 -3.307 6.303 538 2HB ASP 72 1HB ASP 72 -4.253 -3.817 7.844 539 HA PRO 73 HA PRO 73 -8.314 -0.984 5.991 540 1HB PRO 73 2HB PRO 73 -7.165 -0.110 8.609 541 2HB PRO 73 1HB PRO 73 -8.835 -0.041 8.035 542 1HG PRO 73 2HG PRO 73 -8.072 -1.917 9.761 543 2HG PRO 73 1HG PRO 73 -9.215 -2.288 8.458 544 1HD PRO 73 2HD PRO 73 -6.344 -3.014 8.721 545 2HD PRO 73 1HD PRO 73 -7.664 -3.890 7.924 546 H MET 74 H MET 74 -5.067 -0.599 7.424 547 HA MET 74 HA MET 74 -4.617 2.008 6.596 548 1HB MET 74 2HB MET 74 -2.959 1.443 8.030 549 2HB MET 74 1HB MET 74 -2.987 -0.244 7.551 550 1HG MET 74 2HG MET 74 -1.299 0.003 6.103 551 2HG MET 74 1HG MET 74 -1.826 1.597 5.568 552 1HE MET 74 1HE MET 74 0.177 1.148 9.686 553 2HE MET 74 2HE MET 74 -0.627 -0.176 8.843 554 3HE MET 74 3HE MET 74 -1.567 1.196 9.430 555 H SER 75 H SER 75 -4.082 -1.042 4.934 556 HA SER 75 HA SER 75 -2.977 0.215 2.605 557 1HB SER 75 2HB SER 75 -4.178 -2.522 2.492 558 2HB SER 75 1HB SER 75 -2.692 -1.919 1.759 559 HG SER 75 HG SER 75 -1.637 -2.503 3.476 560 H LEU 76 H LEU 76 -6.125 -0.822 3.722 561 HA LEU 76 HA LEU 76 -7.640 -0.966 1.477 562 1HB LEU 76 2HB LEU 76 -8.994 -1.340 3.206 563 2HB LEU 76 1HB LEU 76 -8.117 -0.252 4.253 564 HG LEU 76 HG LEU 76 -10.045 0.774 2.184 565 1HD1 LEU 76 1HD1 LEU 76 -11.359 -0.693 3.493 566 2HD1 LEU 76 2HD1 LEU 76 -11.629 0.927 4.136 567 3HD1 LEU 76 3HD1 LEU 76 -10.549 -0.184 4.974 568 1HD2 LEU 76 1HD2 LEU 76 -10.063 2.401 4.400 569 2HD2 LEU 76 2HD2 LEU 76 -9.146 2.689 2.921 570 3HD2 LEU 76 3HD2 LEU 76 -8.381 1.888 4.293 571 H GLN 77 H GLN 77 -6.644 2.017 3.088 572 HA GLN 77 HA GLN 77 -7.969 3.623 1.122 573 1HB GLN 77 2HB GLN 77 -7.851 5.264 2.621 574 2HB GLN 77 1HB GLN 77 -7.233 4.057 3.731 575 1HG GLN 77 2HG GLN 77 -5.082 5.127 2.154 576 2HG GLN 77 1HG GLN 77 -6.004 6.429 2.900 577 1HE2 GLN 77 1HE2 GLN 77 -5.373 3.155 4.028 578 2HE2 GLN 77 2HE2 GLN 77 -4.550 3.618 5.472 579 H TYR 78 H TYR 78 -4.888 2.179 1.445 580 HA TYR 78 HA TYR 78 -3.526 4.031 -0.289 581 1HB TYR 78 2HB TYR 78 -2.771 1.400 0.962 582 2HB TYR 78 1HB TYR 78 -1.737 2.186 -0.230 583 HD1 TYR 78 1HD TYR 78 0.125 2.991 0.856 584 HD2 TYR 78 2HD TYR 78 -3.687 3.545 2.657 585 HE1 TYR 78 1HE TYR 78 1.171 4.303 2.650 586 HE2 TYR 78 2HE TYR 78 -2.652 4.855 4.459 587 HH TYR 78 HH TYR 78 0.581 5.970 4.300 588 H LEU 79 H LEU 79 -4.913 0.802 -0.503 589 HA LEU 79 HA LEU 79 -4.158 0.593 -3.297 590 1HB LEU 79 2HB LEU 79 -4.905 -1.688 -3.225 591 2HB LEU 79 1HB LEU 79 -3.813 -1.342 -1.912 592 HG LEU 79 HG LEU 79 -6.127 -2.759 -1.706 593 1HD1 LEU 79 1HD1 LEU 79 -4.732 -3.105 0.018 594 2HD1 LEU 79 2HD1 LEU 79 -5.827 -1.980 0.826 595 3HD1 LEU 79 3HD1 LEU 79 -4.302 -1.399 0.155 596 1HD2 LEU 79 1HD2 LEU 79 -7.679 -1.444 -0.349 597 2HD2 LEU 79 2HD2 LEU 79 -7.575 -0.840 -1.998 598 3HD2 LEU 79 3HD2 LEU 79 -6.743 0.006 -0.693 599 H ILE 80 H ILE 80 -6.878 1.627 -1.587 600 HA ILE 80 HA ILE 80 -9.180 1.049 -2.498 601 HB ILE 80 HB ILE 80 -9.928 3.292 -2.798 602 1HG1 ILE 80 2HG1 ILE 80 -8.310 4.082 -4.424 603 2HG1 ILE 80 1HG1 ILE 80 -8.341 5.180 -3.048 604 1HG2 ILE 80 1HG2 ILE 80 -9.351 2.739 -0.543 605 2HG2 ILE 80 2HG2 ILE 80 -8.893 4.413 -0.853 606 3HG2 ILE 80 3HG2 ILE 80 -7.662 3.152 -0.837 607 1HD1 ILE 80 1HD1 ILE 80 -6.326 4.055 -2.173 608 2HD1 ILE 80 2HD1 ILE 80 -6.076 4.829 -3.737 609 3HD1 ILE 80 3HD1 ILE 80 -6.279 3.083 -3.639 610 H GLY 81 H GLY 81 -10.154 0.335 -4.161 611 1HA GLY 81 2HA GLY 81 -10.453 -0.450 -6.307 612 2HA GLY 81 1HA GLY 81 -10.708 1.269 -6.561 613 H GLY 82 H GLY 82 -7.528 -0.132 -5.870 614 1HA GLY 82 2HA GLY 82 -6.580 0.959 -8.396 615 2HA GLY 82 1HA GLY 82 -5.586 0.219 -7.143 616 H THR 83 H THR 83 -4.459 -1.097 -8.621 617 HA THR 83 HA THR 83 -5.893 -3.517 -9.344 618 HB THR 83 HB THR 83 -4.590 -1.715 -11.375 619 HG1 THR 83 1HG THR 83 -7.091 -3.040 -11.254 620 1HG2 THR 83 1HG2 THR 83 -3.742 -3.491 -12.406 621 2HG2 THR 83 2HG2 THR 83 -5.411 -3.927 -12.775 622 3HG2 THR 83 3HG2 THR 83 -4.610 -4.619 -11.361 623 H VAL 84 H VAL 84 -4.636 -5.297 -9.118 624 HA VAL 84 HA VAL 84 -1.727 -4.884 -8.936 625 HB VAL 84 HB VAL 84 -1.664 -5.464 -6.805 626 1HG1 VAL 84 1HG1 VAL 84 -4.029 -4.581 -6.774 627 2HG1 VAL 84 2HG1 VAL 84 -3.538 -5.600 -5.427 628 3HG1 VAL 84 3HG1 VAL 84 -4.544 -6.266 -6.713 629 1HG2 VAL 84 1HG2 VAL 84 -2.375 -7.766 -6.081 630 2HG2 VAL 84 2HG2 VAL 84 -1.229 -7.695 -7.419 631 3HG2 VAL 84 3HG2 VAL 84 -2.931 -8.017 -7.734 632 H ASP 85 H ASP 85 -0.415 -6.668 -9.422 633 HA ASP 85 HA ASP 85 -1.648 -9.062 -10.452 634 1HB ASP 85 2HB ASP 85 -0.226 -8.792 -12.620 635 2HB ASP 85 1HB ASP 85 -1.782 -7.970 -12.499 636 H TYR 86 H TYR 86 -0.290 -10.817 -10.470 637 HA TYR 86 HA TYR 86 2.423 -10.341 -9.432 638 1HB TYR 86 2HB TYR 86 0.314 -11.782 -8.300 639 2HB TYR 86 1HB TYR 86 1.414 -13.003 -8.919 640 HD1 TYR 86 1HD TYR 86 0.567 -11.573 -6.034 641 HD2 TYR 86 2HD TYR 86 4.032 -11.969 -8.461 642 HE1 TYR 86 1HE TYR 86 1.983 -11.290 -4.041 643 HE2 TYR 86 2HE TYR 86 5.463 -11.696 -6.486 644 HH TYR 86 HH TYR 86 4.410 -12.005 -3.391 645 H THR 87 H THR 87 4.105 -11.429 -10.351 646 HA THR 87 HA THR 87 3.592 -13.505 -12.306 647 HB THR 87 HB THR 87 4.976 -10.932 -13.074 648 HG1 THR 87 1HG THR 87 2.576 -12.089 -14.038 649 1HG2 THR 87 1HG2 THR 87 5.484 -11.791 -15.141 650 2HG2 THR 87 2HG2 THR 87 4.309 -13.094 -15.003 651 3HG2 THR 87 3HG2 THR 87 5.814 -13.163 -14.086 652 H GLU 88 H GLU 88 4.761 -14.855 -10.922 653 HA GLU 88 HA GLU 88 7.575 -14.168 -10.468 654 1HB GLU 88 2HB GLU 88 7.622 -15.934 -8.829 655 2HB GLU 88 1HB GLU 88 6.220 -14.917 -8.529 656 1HG GLU 88 2HG GLU 88 5.383 -17.029 -8.246 657 2HG GLU 88 1HG GLU 88 4.937 -16.669 -9.917 658 H GLY 89 H GLY 89 9.184 -15.931 -10.709 659 1HA GLY 89 2HA GLY 89 8.738 -18.215 -12.272 660 2HA GLY 89 1HA GLY 89 9.200 -16.898 -13.347 661 H LEU 90 H LEU 90 11.302 -16.612 -13.698 662 HA LEU 90 HA LEU 90 13.200 -18.116 -12.070 663 1HB LEU 90 2HB LEU 90 13.225 -16.916 -14.796 664 2HB LEU 90 1HB LEU 90 14.763 -17.095 -13.962 665 HG LEU 90 HG LEU 90 14.471 -19.485 -13.815 666 1HD1 LEU 90 1HD1 LEU 90 12.319 -20.086 -13.497 667 2HD1 LEU 90 2HD1 LEU 90 12.355 -20.294 -15.251 668 3HD1 LEU 90 3HD1 LEU 90 11.692 -18.818 -14.548 669 1HD2 LEU 90 1HD2 LEU 90 14.316 -20.046 -16.253 670 2HD2 LEU 90 2HD2 LEU 90 15.461 -18.759 -15.855 671 3HD2 LEU 90 3HD2 LEU 90 13.889 -18.355 -16.543 672 H GLU 91 H GLU 91 12.885 -14.818 -13.380 673 HA GLU 91 HA GLU 91 15.013 -13.676 -11.996 674 1HB GLU 91 2HB GLU 91 12.425 -12.302 -12.727 675 2HB GLU 91 1HB GLU 91 13.988 -11.535 -12.457 676 1HG GLU 91 2HG GLU 91 14.870 -12.780 -14.414 677 2HG GLU 91 1HG GLU 91 13.240 -13.382 -14.713 678 H GLY 92 H GLY 92 11.914 -14.678 -10.870 679 1HA GLY 92 2HA GLY 92 11.802 -15.012 -8.423 680 2HA GLY 92 1HA GLY 92 12.476 -13.391 -8.268 681 H SER 93 H SER 93 9.954 -14.535 -7.235 682 HA SER 93 HA SER 93 7.741 -13.633 -8.669 683 1HB SER 93 2HB SER 93 6.483 -13.955 -6.685 684 2HB SER 93 1HB SER 93 7.780 -15.147 -6.613 685 HG SER 93 HG SER 93 8.924 -13.460 -5.346 686 H ARG 94 H ARG 94 7.673 -11.641 -9.466 687 HA ARG 94 HA ARG 94 8.333 -9.387 -7.715 688 1HB ARG 94 2HB ARG 94 7.923 -8.098 -9.966 689 2HB ARG 94 1HB ARG 94 9.433 -8.952 -9.694 690 1HG ARG 94 2HG ARG 94 8.876 -9.539 -11.856 691 2HG ARG 94 1HG ARG 94 8.289 -10.914 -10.919 692 1HD ARG 94 2HD ARG 94 6.709 -10.080 -12.671 693 2HD ARG 94 1HD ARG 94 6.041 -10.135 -11.041 694 HE ARG 94 HE ARG 94 5.864 -7.845 -11.065 695 1HH1 ARG 94 1HH1 ARG 94 7.845 -8.872 -13.749 696 2HH1 ARG 94 2HH1 ARG 94 7.873 -7.308 -14.490 697 1HH2 ARG 94 1HH2 ARG 94 5.902 -5.786 -12.038 698 2HH2 ARG 94 2HH2 ARG 94 6.770 -5.554 -13.518 699 H PHE 95 H PHE 95 6.854 -7.783 -7.230 700 HA PHE 95 HA PHE 95 4.065 -8.382 -7.963 701 1HB PHE 95 2HB PHE 95 4.798 -8.867 -5.546 702 2HB PHE 95 1HB PHE 95 4.874 -7.119 -5.352 703 HD1 PHE 95 1HD PHE 95 2.410 -9.118 -7.282 704 HD2 PHE 95 2HD PHE 95 3.137 -6.667 -3.876 705 HE1 PHE 95 1HE PHE 95 0.002 -9.063 -6.809 706 HE2 PHE 95 2HE PHE 95 0.728 -6.614 -3.393 707 HZ PHE 95 HZ PHE 95 -0.842 -7.806 -4.873 708 H THR 96 H THR 96 2.947 -6.778 -8.875 709 HA THR 96 HA THR 96 3.870 -4.020 -8.456 710 HB THR 96 HB THR 96 2.914 -4.719 -11.177 711 HG1 THR 96 1HG THR 96 5.417 -5.494 -10.122 712 1HG2 THR 96 1HG2 THR 96 3.464 -2.482 -11.006 713 2HG2 THR 96 2HG2 THR 96 4.911 -3.200 -11.715 714 3HG2 THR 96 3HG2 THR 96 4.876 -2.803 -9.996 715 H VAL 97 H VAL 97 2.299 -2.698 -7.897 716 HA VAL 97 HA VAL 97 -0.473 -3.382 -8.645 717 HB VAL 97 HB VAL 97 0.200 -1.896 -6.119 718 1HG1 VAL 97 1HG1 VAL 97 -2.199 -3.343 -7.186 719 2HG1 VAL 97 2HG1 VAL 97 -2.065 -1.675 -6.624 720 3HG1 VAL 97 3HG1 VAL 97 -2.010 -3.004 -5.466 721 1HG2 VAL 97 1HG2 VAL 97 0.887 -4.594 -6.611 722 2HG2 VAL 97 2HG2 VAL 97 -0.509 -4.595 -5.535 723 3HG2 VAL 97 3HG2 VAL 97 0.945 -3.709 -5.091 724 H ASN 98 H ASN 98 -1.948 -1.438 -8.588 725 HA ASN 98 HA ASN 98 -0.598 1.110 -9.008 726 1HB ASN 98 2HB ASN 98 -2.440 0.011 -11.135 727 2HB ASN 98 1HB ASN 98 -1.469 1.484 -11.205 728 1HD2 ASN 98 1HD2 ASN 98 -1.652 -1.560 -12.317 729 2HD2 ASN 98 2HD2 ASN 98 0.016 -1.884 -12.609 730 H ASN 99 H ASN 99 -1.722 2.719 -8.151 731 HA ASN 99 HA ASN 99 -4.636 2.586 -8.056 732 1HB ASN 99 2HB ASN 99 -3.530 3.581 -5.531 733 2HB ASN 99 1HB ASN 99 -4.856 2.453 -5.815 734 1HD2 ASN 99 1HD2 ASN 99 -1.974 2.747 -4.378 735 2HD2 ASN 99 2HD2 ASN 99 -1.447 1.104 -4.398 736 HA PRO 100 HA PRO 100 -4.620 6.902 -8.865 737 1HB PRO 100 2HB PRO 100 -6.186 7.992 -6.874 738 2HB PRO 100 1HB PRO 100 -6.811 7.192 -8.323 739 1HG PRO 100 2HG PRO 100 -6.455 6.107 -5.560 740 2HG PRO 100 1HG PRO 100 -7.790 5.857 -6.700 741 1HD PRO 100 2HD PRO 100 -5.903 3.991 -6.316 742 2HD PRO 100 1HD PRO 100 -6.618 4.269 -7.917 743 H ASN 101 H ASN 101 -4.340 6.419 -5.344 744 HA ASN 101 HA ASN 101 -2.855 8.817 -4.956 745 1HB ASN 101 2HB ASN 101 -2.862 8.307 -2.698 746 2HB ASN 101 1HB ASN 101 -4.290 7.439 -3.259 747 1HD2 ASN 101 1HD2 ASN 101 -2.933 5.279 -4.493 748 2HD2 ASN 101 2HD2 ASN 101 -2.233 4.314 -3.239 749 H ALA 102 H ALA 102 -1.977 5.778 -6.156 750 HA ALA 102 HA ALA 102 0.815 6.059 -5.322 751 1HB ALA 102 1HB ALA 102 1.037 3.830 -5.581 752 2HB ALA 102 2HB ALA 102 0.050 3.793 -7.041 753 3HB ALA 102 3HB ALA 102 -0.722 3.848 -5.456 754 H THR 103 H THR 103 -0.263 7.960 -7.162 755 HA THR 103 HA THR 103 1.331 7.309 -9.553 756 HB THR 103 HB THR 103 -0.230 8.737 -10.854 757 HG1 THR 103 1HG THR 103 -2.121 9.424 -9.923 758 1HG2 THR 103 1HG2 THR 103 -2.298 7.224 -10.585 759 2HG2 THR 103 2HG2 THR 103 -1.280 6.309 -9.472 760 3HG2 THR 103 3HG2 THR 103 -0.784 6.519 -11.151 761 H SER 104 H SER 104 2.819 8.771 -10.178 762 HA SER 104 HA SER 104 4.204 10.573 -10.108 763 1HB SER 104 2HB SER 104 1.499 11.724 -9.716 764 2HB SER 104 1HB SER 104 2.859 12.766 -9.298 765 HG SER 104 HG SER 104 3.578 12.670 -11.365 766 H THR 105 H THR 105 5.655 10.142 -8.531 767 HA THR 105 HA THR 105 5.320 11.518 -6.008 768 HB THR 105 HB THR 105 6.011 8.590 -5.914 769 HG1 THR 105 1HG THR 105 3.990 8.235 -6.315 770 1HG2 THR 105 1HG2 THR 105 6.234 10.515 -3.995 771 2HG2 THR 105 2HG2 THR 105 6.080 8.784 -3.699 772 3HG2 THR 105 3HG2 THR 105 4.652 9.817 -3.651 773 H CYS 106 H CYS 106 7.036 12.705 -7.109 774 HA CYS 106 HA CYS 106 9.641 11.613 -6.404 775 1HB CYS 106 2HB CYS 106 10.573 12.362 -8.633 776 2HB CYS 106 1HB CYS 106 9.549 10.931 -8.686 777 HG CYS 106 HG CYS 106 7.953 12.112 -10.136 778 H GLY 107 H GLY 107 8.083 13.638 -5.207 779 1HA GLY 107 2HA GLY 107 10.011 15.773 -5.222 780 2HA GLY 107 1HA GLY 107 8.465 16.248 -5.917 781 H CYS 108 H CYS 108 6.909 14.515 -4.089 782 HA CYS 108 HA CYS 108 6.482 16.367 -2.021 783 1HB CYS 108 2HB CYS 108 5.503 13.637 -2.673 784 2HB CYS 108 1HB CYS 108 5.292 14.189 -1.015 785 HG CYS 108 HG CYS 108 4.153 16.349 -2.544 786 H GLY 109 H GLY 109 8.555 16.703 -1.077 787 1HA GLY 109 2HA GLY 109 9.174 14.688 0.969 788 2HA GLY 109 1HA GLY 109 10.472 15.251 -0.082 789 H SER 110 H SER 110 8.871 15.746 2.815 790 HA SER 110 HA SER 110 9.046 17.303 4.462 791 1HB SER 110 2HB SER 110 11.557 17.089 3.400 792 2HB SER 110 1HB SER 110 11.256 18.819 3.239 793 HG SER 110 HG SER 110 10.581 18.658 5.540 794 H SER 111 H SER 111 9.018 19.721 4.897 795 HA SER 111 HA SER 111 7.856 21.186 2.626 796 1HB SER 111 2HB SER 111 6.096 22.066 4.022 797 2HB SER 111 1HB SER 111 6.079 20.308 4.164 798 HG SER 111 HG SER 111 5.960 21.070 6.218 799 H PHE 112 H PHE 112 7.368 23.588 3.764 800 HA PHE 112 HA PHE 112 8.348 25.562 4.339 801 1HB PHE 112 2HB PHE 112 10.173 23.848 6.034 802 2HB PHE 112 1HB PHE 112 9.898 25.576 6.213 803 HD1 PHE 112 1HD PHE 112 8.972 22.382 7.341 804 HD2 PHE 112 2HD PHE 112 7.405 26.273 6.619 805 HE1 PHE 112 1HE PHE 112 7.120 21.921 8.893 806 HE2 PHE 112 2HE PHE 112 5.551 25.819 8.171 807 HZ PHE 112 HZ PHE 112 5.407 23.640 9.310 808 H SER 113 H SER 113 10.827 26.449 4.749 809 HA SER 113 HA SER 113 12.191 25.755 2.252 810 1HB SER 113 2HB SER 113 13.320 27.922 2.468 811 2HB SER 113 1HB SER 113 11.569 28.122 2.539 812 HG SER 113 HG SER 113 12.174 29.251 4.252 813 H ILE 114 H ILE 114 14.552 25.778 2.278 814 HA ILE 114 HA ILE 114 15.673 23.915 3.924 815 HB ILE 114 HB ILE 114 17.838 24.625 3.172 816 1HG1 ILE 114 2HG1 ILE 114 17.545 27.054 3.620 817 2HG1 ILE 114 1HG1 ILE 114 18.246 26.731 2.038 818 1HG2 ILE 114 1HG2 ILE 114 15.806 23.886 1.532 819 2HG2 ILE 114 2HG2 ILE 114 17.495 24.020 1.044 820 3HG2 ILE 114 3HG2 ILE 114 16.382 25.352 0.738 821 1HD1 ILE 114 1HD1 ILE 114 16.679 28.438 1.709 822 2HD1 ILE 114 2HD1 ILE 114 15.461 27.626 2.693 823 3HD1 ILE 114 3HD1 ILE 114 15.900 26.972 1.116 Start of MODEL 6 1 1H MET 1 1HT MET 1 -19.864 -3.838 -13.073 2 2H MET 1 2HT MET 1 -21.201 -3.504 -12.059 3 3H MET 1 3HT MET 1 -20.787 -5.127 -12.421 4 HA MET 1 HA MET 1 -18.587 -4.615 -11.369 5 1HB MET 1 2HB MET 1 -20.252 -2.218 -10.705 6 2HB MET 1 1HB MET 1 -19.076 -2.796 -9.530 7 1HG MET 1 2HG MET 1 -17.357 -1.975 -10.673 8 2HG MET 1 1HG MET 1 -17.978 -2.571 -12.210 9 1HE MET 1 1HE MET 1 -19.833 -0.252 -13.860 10 2HE MET 1 2HE MET 1 -20.956 -0.219 -12.505 11 3HE MET 1 3HE MET 1 -20.194 -1.738 -12.987 12 H ILE 2 H ILE 2 -18.573 -4.657 -8.777 13 HA ILE 2 HA ILE 2 -20.604 -6.641 -8.068 14 HB ILE 2 HB ILE 2 -18.475 -6.224 -6.111 15 1HG1 ILE 2 2HG1 ILE 2 -17.118 -5.725 -8.070 16 2HG1 ILE 2 1HG1 ILE 2 -16.717 -7.324 -7.446 17 1HG2 ILE 2 1HG2 ILE 2 -20.243 -8.170 -6.662 18 2HG2 ILE 2 2HG2 ILE 2 -18.741 -8.435 -5.772 19 3HG2 ILE 2 3HG2 ILE 2 -18.817 -8.803 -7.496 20 1HD1 ILE 2 1HD1 ILE 2 -16.843 -7.854 -9.629 21 2HD1 ILE 2 2HD1 ILE 2 -17.956 -6.537 -10.000 22 3HD1 ILE 2 3HD1 ILE 2 -18.551 -8.017 -9.256 23 H ASP 3 H ASP 3 -20.326 -6.469 -5.294 24 HA ASP 3 HA ASP 3 -20.988 -3.790 -4.445 25 1HB ASP 3 2HB ASP 3 -23.081 -5.273 -5.418 26 2HB ASP 3 1HB ASP 3 -23.154 -5.621 -3.694 27 H ASP 4 H ASP 4 -21.390 -7.201 -3.482 28 HA ASP 4 HA ASP 4 -20.818 -6.623 -0.728 29 1HB ASP 4 2HB ASP 4 -21.634 -8.966 -2.306 30 2HB ASP 4 1HB ASP 4 -20.572 -9.344 -0.951 31 H MET 5 H MET 5 -19.197 -8.853 -2.978 32 HA MET 5 HA MET 5 -16.734 -8.648 -1.482 33 1HB MET 5 2HB MET 5 -17.327 -10.103 -4.067 34 2HB MET 5 1HB MET 5 -15.864 -10.277 -3.107 35 1HG MET 5 2HG MET 5 -18.647 -10.980 -2.196 36 2HG MET 5 1HG MET 5 -17.435 -12.123 -2.765 37 1HE MET 5 1HE MET 5 -17.235 -9.159 0.384 38 2HE MET 5 2HE MET 5 -18.187 -10.388 1.212 39 3HE MET 5 3HE MET 5 -18.718 -9.762 -0.349 40 H ALA 6 H ALA 6 -14.697 -8.633 -3.181 41 HA ALA 6 HA ALA 6 -13.345 -7.290 -4.421 42 1HB ALA 6 1HB ALA 6 -15.817 -6.271 -5.783 43 2HB ALA 6 2HB ALA 6 -15.122 -7.857 -6.120 44 3HB ALA 6 3HB ALA 6 -14.182 -6.397 -6.431 45 H VAL 7 H VAL 7 -14.254 -6.342 -1.914 46 HA VAL 7 HA VAL 7 -15.323 -3.885 -1.696 47 HB VAL 7 HB VAL 7 -13.118 -3.715 0.077 48 1HG1 VAL 7 1HG1 VAL 7 -15.478 -2.995 0.377 49 2HG1 VAL 7 2HG1 VAL 7 -14.794 -3.868 1.748 50 3HG1 VAL 7 3HG1 VAL 7 -15.903 -4.686 0.646 51 1HG2 VAL 7 1HG2 VAL 7 -12.496 -5.775 0.640 52 2HG2 VAL 7 2HG2 VAL 7 -13.528 -6.448 -0.613 53 3HG2 VAL 7 3HG2 VAL 7 -14.168 -6.190 1.008 54 HA PRO 8 HA PRO 8 -11.738 -1.249 -2.943 55 1HB PRO 8 2HB PRO 8 -9.408 -1.418 -1.798 56 2HB PRO 8 1HB PRO 8 -10.834 -1.373 -0.752 57 1HG PRO 8 2HG PRO 8 -9.157 -3.718 -1.550 58 2HG PRO 8 1HG PRO 8 -9.885 -3.350 0.025 59 1HD PRO 8 2HD PRO 8 -10.976 -4.987 -2.053 60 2HD PRO 8 1HD PRO 8 -11.753 -4.504 -0.538 61 H LEU 9 H LEU 9 -8.676 -2.266 -2.972 62 HA LEU 9 HA LEU 9 -8.305 -2.345 -5.716 63 1HB LEU 9 2HB LEU 9 -6.630 -1.839 -3.918 64 2HB LEU 9 1HB LEU 9 -6.532 -3.561 -3.605 65 HG LEU 9 HG LEU 9 -4.819 -3.612 -5.033 66 1HD1 LEU 9 1HD1 LEU 9 -5.321 -3.405 -7.480 67 2HD1 LEU 9 2HD1 LEU 9 -6.970 -3.005 -7.025 68 3HD1 LEU 9 3HD1 LEU 9 -6.293 -4.569 -6.591 69 1HD2 LEU 9 1HD2 LEU 9 -4.415 -1.626 -6.633 70 2HD2 LEU 9 2HD2 LEU 9 -4.197 -1.393 -4.900 71 3HD2 LEU 9 3HD2 LEU 9 -5.668 -0.834 -5.689 72 H THR 10 H THR 10 -8.539 -3.860 -7.204 73 HA THR 10 HA THR 10 -8.898 -6.653 -6.365 74 HB THR 10 HB THR 10 -9.650 -5.224 -8.917 75 HG1 THR 10 1HG THR 10 -11.002 -5.052 -6.961 76 1HG2 THR 10 1HG2 THR 10 -10.873 -7.739 -8.848 77 2HG2 THR 10 2HG2 THR 10 -9.163 -8.014 -8.500 78 3HG2 THR 10 3HG2 THR 10 -9.640 -7.164 -9.973 79 H PHE 11 H PHE 11 -7.203 -7.965 -6.663 80 HA PHE 11 HA PHE 11 -4.981 -7.060 -8.291 81 1HB PHE 11 2HB PHE 11 -3.727 -8.838 -7.306 82 2HB PHE 11 1HB PHE 11 -4.645 -8.063 -6.027 83 HD1 PHE 11 1HD PHE 11 -4.135 -11.017 -8.003 84 HD2 PHE 11 2HD PHE 11 -6.524 -9.227 -4.987 85 HE1 PHE 11 1HE PHE 11 -5.012 -13.214 -7.404 86 HE2 PHE 11 2HE PHE 11 -7.414 -11.440 -4.377 87 HZ PHE 11 HZ PHE 11 -6.643 -13.434 -5.596 88 H THR 12 H THR 12 -3.824 -9.088 -9.447 89 HA THR 12 HA THR 12 -5.639 -9.748 -11.587 90 HB THR 12 HB THR 12 -3.174 -9.118 -11.822 91 HG1 THR 12 1HG THR 12 -3.150 -11.251 -13.357 92 1HG2 THR 12 1HG2 THR 12 -1.535 -10.836 -11.732 93 2HG2 THR 12 2HG2 THR 12 -2.742 -12.037 -11.281 94 3HG2 THR 12 3HG2 THR 12 -2.324 -10.750 -10.156 95 H ASP 13 H ASP 13 -4.620 -12.229 -12.403 96 HA ASP 13 HA ASP 13 -6.102 -13.991 -10.635 97 1HB ASP 13 2HB ASP 13 -6.350 -13.904 -13.191 98 2HB ASP 13 1HB ASP 13 -4.803 -14.749 -13.243 99 H ALA 14 H ALA 14 -2.883 -13.667 -12.040 100 HA ALA 14 HA ALA 14 -1.753 -16.002 -11.031 101 1HB ALA 14 1HB ALA 14 0.403 -14.963 -11.432 102 2HB ALA 14 2HB ALA 14 -0.356 -13.372 -11.508 103 3HB ALA 14 3HB ALA 14 -0.707 -14.576 -12.748 104 H ALA 15 H ALA 15 -1.947 -12.753 -9.595 105 HA ALA 15 HA ALA 15 -0.441 -13.239 -7.308 106 1HB ALA 15 1HB ALA 15 -1.038 -11.141 -6.872 107 2HB ALA 15 2HB ALA 15 -2.695 -11.653 -6.571 108 3HB ALA 15 3HB ALA 15 -2.193 -11.198 -8.206 109 H ALA 16 H ALA 16 -3.636 -14.224 -8.212 110 HA ALA 16 HA ALA 16 -4.477 -15.237 -5.666 111 1HB ALA 16 1HB ALA 16 -5.911 -14.655 -7.770 112 2HB ALA 16 2HB ALA 16 -6.360 -16.036 -6.777 113 3HB ALA 16 3HB ALA 16 -5.481 -16.275 -8.285 114 H ASN 17 H ASN 17 -3.036 -16.493 -8.595 115 HA ASN 17 HA ASN 17 -2.921 -19.196 -7.968 116 1HB ASN 17 2HB ASN 17 -1.258 -17.431 -9.740 117 2HB ASN 17 1HB ASN 17 -0.892 -19.140 -9.569 118 1HD2 ASN 17 1HD2 ASN 17 -3.633 -16.997 -10.202 119 2HD2 ASN 17 2HD2 ASN 17 -4.327 -17.974 -11.443 120 H LYS 18 H LYS 18 -0.558 -16.612 -7.369 121 HA LYS 18 HA LYS 18 1.496 -18.140 -6.305 122 1HB LYS 18 2HB LYS 18 1.967 -15.880 -6.766 123 2HB LYS 18 1HB LYS 18 0.602 -15.315 -5.814 124 1HG LYS 18 2HG LYS 18 2.823 -16.776 -4.463 125 2HG LYS 18 1HG LYS 18 3.030 -15.080 -4.906 126 1HD LYS 18 2HD LYS 18 0.573 -15.030 -3.747 127 2HD LYS 18 1HD LYS 18 1.366 -16.303 -2.815 128 1HE LYS 18 2HE LYS 18 2.394 -13.500 -3.244 129 2HE LYS 18 1HE LYS 18 1.676 -14.128 -1.762 130 1HZ LYS 18 1HZ LYS 18 3.609 -15.004 -1.156 131 2HZ LYS 18 2HZ LYS 18 4.335 -14.153 -2.424 132 3HZ LYS 18 3HZ LYS 18 3.842 -15.755 -2.655 133 H VAL 19 H VAL 19 -1.524 -17.116 -4.923 134 HA VAL 19 HA VAL 19 -0.802 -17.890 -2.238 135 HB VAL 19 HB VAL 19 -3.462 -17.062 -3.394 136 1HG1 VAL 19 1HG1 VAL 19 -2.692 -18.044 -0.770 137 2HG1 VAL 19 2HG1 VAL 19 -4.295 -17.819 -1.465 138 3HG1 VAL 19 3HG1 VAL 19 -3.470 -16.463 -0.695 139 1HG2 VAL 19 1HG2 VAL 19 -2.729 -14.973 -3.352 140 2HG2 VAL 19 2HG2 VAL 19 -1.138 -15.541 -2.846 141 3HG2 VAL 19 3HG2 VAL 19 -2.351 -15.125 -1.637 142 H LYS 20 H LYS 20 -3.548 -18.837 -4.283 143 HA LYS 20 HA LYS 20 -4.272 -21.115 -2.941 144 1HB LYS 20 2HB LYS 20 -5.157 -21.875 -5.228 145 2HB LYS 20 1HB LYS 20 -5.777 -20.372 -4.565 146 1HG LYS 20 2HG LYS 20 -5.147 -19.294 -6.388 147 2HG LYS 20 1HG LYS 20 -3.472 -19.774 -6.111 148 1HD LYS 20 2HD LYS 20 -5.543 -21.473 -7.510 149 2HD LYS 20 1HD LYS 20 -4.355 -20.462 -8.333 150 1HE LYS 20 2HE LYS 20 -2.611 -21.769 -6.968 151 2HE LYS 20 1HE LYS 20 -3.913 -22.927 -6.685 152 1HZ LYS 20 1HZ LYS 20 -3.503 -22.115 -9.446 153 2HZ LYS 20 2HZ LYS 20 -3.860 -23.637 -8.804 154 3HZ LYS 20 3HZ LYS 20 -2.272 -23.053 -8.764 155 H SER 21 H SER 21 -1.525 -20.670 -4.973 156 HA SER 21 HA SER 21 -1.271 -23.477 -5.569 157 1HB SER 21 2HB SER 21 -0.644 -21.705 -7.213 158 2HB SER 21 1HB SER 21 0.710 -21.280 -6.167 159 HG SER 21 HG SER 21 1.677 -22.741 -7.354 160 H LEU 22 H LEU 22 0.563 -21.105 -3.638 161 HA LEU 22 HA LEU 22 2.343 -23.191 -2.749 162 1HB LEU 22 2HB LEU 22 3.722 -21.566 -2.090 163 2HB LEU 22 1HB LEU 22 2.689 -20.537 -3.055 164 HG LEU 22 HG LEU 22 3.221 -19.496 -0.933 165 1HD1 LEU 22 1HD1 LEU 22 1.199 -18.741 -1.715 166 2HD1 LEU 22 2HD1 LEU 22 0.807 -19.259 -0.079 167 3HD1 LEU 22 3HD1 LEU 22 0.398 -20.273 -1.450 168 1HD2 LEU 22 1HD2 LEU 22 3.096 -20.461 1.084 169 2HD2 LEU 22 2HD2 LEU 22 3.141 -21.961 0.173 170 3HD2 LEU 22 3HD2 LEU 22 1.590 -21.303 0.706 171 H ILE 23 H ILE 23 -0.602 -21.754 -1.670 172 HA ILE 23 HA ILE 23 -0.365 -22.521 1.045 173 HB ILE 23 HB ILE 23 -2.795 -22.153 1.147 174 1HG1 ILE 23 2HG1 ILE 23 -3.461 -20.877 -1.142 175 2HG1 ILE 23 1HG1 ILE 23 -2.416 -22.144 -1.775 176 1HG2 ILE 23 1HG2 ILE 23 -0.813 -20.195 0.204 177 2HG2 ILE 23 2HG2 ILE 23 -1.817 -20.178 1.648 178 3HG2 ILE 23 3HG2 ILE 23 -2.497 -19.698 0.092 179 1HD1 ILE 23 1HD1 ILE 23 -4.112 -23.549 -1.675 180 2HD1 ILE 23 2HD1 ILE 23 -5.136 -22.311 -0.960 181 3HD1 ILE 23 3HD1 ILE 23 -4.162 -23.353 0.075 182 H SER 24 H SER 24 -2.024 -23.859 -1.765 183 HA SER 24 HA SER 24 -3.068 -26.146 -0.554 184 1HB SER 24 2HB SER 24 -2.563 -25.210 -3.295 185 2HB SER 24 1HB SER 24 -2.509 -26.965 -3.119 186 HG SER 24 HG SER 24 -4.631 -25.427 -2.059 187 H GLU 25 H GLU 25 0.098 -25.245 -1.507 188 HA GLU 25 HA GLU 25 1.181 -27.895 -1.537 189 1HB GLU 25 2HB GLU 25 2.002 -25.420 -2.503 190 2HB GLU 25 1HB GLU 25 3.129 -25.767 -1.200 191 1HG GLU 25 2HG GLU 25 3.365 -28.073 -2.322 192 2HG GLU 25 1HG GLU 25 2.644 -27.282 -3.734 193 H GLU 26 H GLU 26 0.477 -25.499 0.827 194 HA GLU 26 HA GLU 26 2.426 -26.437 2.731 195 1HB GLU 26 2HB GLU 26 0.100 -24.558 2.988 196 2HB GLU 26 1HB GLU 26 1.179 -24.950 4.320 197 1HG GLU 26 2HG GLU 26 3.048 -24.001 3.128 198 2HG GLU 26 1HG GLU 26 2.033 -23.705 1.720 199 H GLU 27 H GLU 27 -0.676 -27.312 1.686 200 HA GLU 27 HA GLU 27 -1.952 -29.121 2.234 201 1HB GLU 27 2HB GLU 27 0.414 -29.771 3.516 202 2HB GLU 27 1HB GLU 27 -0.754 -29.756 4.827 203 1HG GLU 27 2HG GLU 27 -1.445 -31.202 2.333 204 2HG GLU 27 1HG GLU 27 -0.274 -31.929 3.426 205 H ASN 28 H ASN 28 -1.807 -26.243 3.461 206 HA ASN 28 HA ASN 28 -3.052 -26.258 5.958 207 1HB ASN 28 2HB ASN 28 -4.004 -24.213 4.024 208 2HB ASN 28 1HB ASN 28 -3.444 -24.019 5.678 209 1HD2 ASN 28 1HD2 ASN 28 -2.748 -23.602 2.464 210 2HD2 ASN 28 2HD2 ASN 28 -1.071 -23.229 2.613 211 H THR 29 H THR 29 -4.689 -25.552 2.898 212 HA THR 29 HA THR 29 -6.601 -27.466 2.749 213 HB THR 29 HB THR 29 -7.401 -27.233 4.944 214 HG1 THR 29 1HG THR 29 -9.464 -26.344 4.694 215 1HG2 THR 29 1HG2 THR 29 -6.342 -24.669 4.849 216 2HG2 THR 29 2HG2 THR 29 -7.193 -25.420 6.206 217 3HG2 THR 29 3HG2 THR 29 -8.085 -24.432 5.038 218 H ASP 30 H ASP 30 -6.466 -23.925 3.001 219 HA ASP 30 HA ASP 30 -6.862 -23.313 0.353 220 1HB ASP 30 2HB ASP 30 -9.356 -24.104 1.703 221 2HB ASP 30 1HB ASP 30 -9.433 -22.503 0.949 222 H LEU 31 H LEU 31 -5.285 -22.113 1.647 223 HA LEU 31 HA LEU 31 -5.876 -20.268 3.591 224 1HB LEU 31 2HB LEU 31 -3.696 -21.061 2.007 225 2HB LEU 31 1HB LEU 31 -3.744 -19.315 1.977 226 HG LEU 31 HG LEU 31 -2.317 -19.977 3.757 227 1HD1 LEU 31 1HD1 LEU 31 -3.320 -18.865 5.574 228 2HD1 LEU 31 2HD1 LEU 31 -4.938 -19.331 5.060 229 3HD1 LEU 31 3HD1 LEU 31 -4.020 -18.153 4.130 230 1HD2 LEU 31 1HD2 LEU 31 -2.570 -21.850 4.907 231 2HD2 LEU 31 2HD2 LEU 31 -3.992 -22.211 3.909 232 3HD2 LEU 31 3HD2 LEU 31 -4.174 -21.378 5.455 233 H LYS 32 H LYS 32 -5.923 -18.057 3.612 234 HA LYS 32 HA LYS 32 -7.060 -16.784 1.214 235 1HB LYS 32 2HB LYS 32 -7.587 -16.157 4.129 236 2HB LYS 32 1HB LYS 32 -8.296 -15.316 2.764 237 1HG LYS 32 2HG LYS 32 -9.775 -16.980 2.328 238 2HG LYS 32 1HG LYS 32 -8.691 -18.245 2.909 239 1HD LYS 32 2HD LYS 32 -10.688 -17.880 4.350 240 2HD LYS 32 1HD LYS 32 -9.152 -17.685 5.192 241 1HE LYS 32 2HE LYS 32 -9.512 -15.153 4.471 242 2HE LYS 32 1HE LYS 32 -11.198 -15.659 4.467 243 1HZ LYS 32 1HZ LYS 32 -10.935 -16.410 6.752 244 2HZ LYS 32 2HZ LYS 32 -10.564 -14.768 6.613 245 3HZ LYS 32 3HZ LYS 32 -9.318 -15.908 6.752 246 H LEU 33 H LEU 33 -5.711 -15.299 0.368 247 HA LEU 33 HA LEU 33 -3.313 -14.534 1.560 248 1HB LEU 33 2HB LEU 33 -4.028 -14.447 -0.893 249 2HB LEU 33 1HB LEU 33 -4.781 -12.920 -0.502 250 HG LEU 33 HG LEU 33 -2.508 -12.787 -1.564 251 1HD1 LEU 33 1HD1 LEU 33 -3.513 -11.357 0.753 252 2HD1 LEU 33 2HD1 LEU 33 -2.803 -10.750 -0.733 253 3HD1 LEU 33 3HD1 LEU 33 -1.761 -11.256 0.593 254 1HD2 LEU 33 1HD2 LEU 33 -0.733 -13.790 -0.686 255 2HD2 LEU 33 2HD2 LEU 33 -1.829 -14.622 0.413 256 3HD2 LEU 33 3HD2 LEU 33 -1.060 -13.115 0.909 257 H ARG 34 H ARG 34 -2.655 -12.726 2.656 258 HA ARG 34 HA ARG 34 -4.700 -10.785 3.426 259 1HB ARG 34 2HB ARG 34 -4.587 -12.371 5.262 260 2HB ARG 34 1HB ARG 34 -2.839 -12.207 5.330 261 1HG ARG 34 2HG ARG 34 -3.526 -9.645 5.682 262 2HG ARG 34 1HG ARG 34 -4.953 -10.428 6.362 263 1HD ARG 34 2HD ARG 34 -3.642 -11.625 7.944 264 2HD ARG 34 1HD ARG 34 -2.141 -11.161 7.145 265 HE ARG 34 HE ARG 34 -3.215 -8.785 7.849 266 1HH1 ARG 34 1HH1 ARG 34 -2.566 -11.714 9.617 267 2HH1 ARG 34 2HH1 ARG 34 -2.299 -10.896 11.121 268 1HH2 ARG 34 1HH2 ARG 34 -2.870 -7.702 9.817 269 2HH2 ARG 34 2HH2 ARG 34 -2.472 -8.618 11.237 270 H VAL 35 H VAL 35 -3.854 -9.221 2.182 271 HA VAL 35 HA VAL 35 -1.087 -8.656 1.975 272 HB VAL 35 HB VAL 35 -3.322 -6.762 1.335 273 1HG1 VAL 35 1HG1 VAL 35 -0.526 -7.103 0.272 274 2HG1 VAL 35 2HG1 VAL 35 -1.160 -5.746 1.203 275 3HG1 VAL 35 3HG1 VAL 35 -1.734 -6.033 -0.439 276 1HG2 VAL 35 1HG2 VAL 35 -3.906 -8.835 0.310 277 2HG2 VAL 35 2HG2 VAL 35 -2.259 -9.058 -0.281 278 3HG2 VAL 35 3HG2 VAL 35 -3.266 -7.767 -0.941 279 H TYR 36 H TYR 36 0.025 -6.831 2.571 280 HA TYR 36 HA TYR 36 -1.049 -5.147 4.698 281 1HB TYR 36 2HB TYR 36 1.378 -5.397 5.733 282 2HB TYR 36 1HB TYR 36 0.093 -6.521 6.159 283 HD1 TYR 36 1HD TYR 36 3.405 -6.214 4.975 284 HD2 TYR 36 2HD TYR 36 -0.048 -8.686 4.713 285 HE1 TYR 36 1HE TYR 36 4.816 -8.084 4.232 286 HE2 TYR 36 2HE TYR 36 1.353 -10.574 3.973 287 HH TYR 36 HH TYR 36 4.637 -10.173 3.052 288 H ILE 37 H ILE 37 0.731 -3.340 5.129 289 HA ILE 37 HA ILE 37 1.315 -2.293 2.486 290 HB ILE 37 HB ILE 37 1.360 -1.054 5.223 291 1HG1 ILE 37 2HG1 ILE 37 -0.812 -1.261 4.123 292 2HG1 ILE 37 1HG1 ILE 37 -0.326 0.434 4.198 293 1HG2 ILE 37 1HG2 ILE 37 2.759 -0.185 2.780 294 2HG2 ILE 37 2HG2 ILE 37 3.083 0.198 4.472 295 3HG2 ILE 37 3HG2 ILE 37 1.810 1.055 3.602 296 1HD1 ILE 37 1HD1 ILE 37 -1.021 0.368 2.053 297 2HD1 ILE 37 2HD1 ILE 37 -0.664 -1.348 1.869 298 3HD1 ILE 37 3HD1 ILE 37 0.641 -0.162 1.793 299 H THR 38 H THR 38 3.177 -2.586 1.523 300 HA THR 38 HA THR 38 5.599 -2.865 3.174 301 HB THR 38 HB THR 38 5.208 -4.000 0.405 302 HG1 THR 38 1HG THR 38 5.027 -5.331 2.900 303 1HG2 THR 38 1HG2 THR 38 7.516 -3.703 1.952 304 2HG2 THR 38 2HG2 THR 38 7.310 -4.670 0.491 305 3HG2 THR 38 3HG2 THR 38 7.056 -5.403 2.077 306 H GLY 39 H GLY 39 4.422 -1.734 -0.006 307 1HA GLY 39 2HA GLY 39 6.764 -0.178 -0.549 308 2HA GLY 39 1HA GLY 39 5.228 -0.093 -1.395 309 H GLY 40 H GLY 40 4.181 1.710 -1.227 310 1HA GLY 40 2HA GLY 40 3.186 3.580 -0.281 311 2HA GLY 40 1HA GLY 40 3.944 3.162 1.251 312 H GLY 41 H GLY 41 4.161 5.060 -1.646 313 1HA GLY 41 2HA GLY 41 5.342 7.091 -1.838 314 2HA GLY 41 1HA GLY 41 6.269 6.664 -0.401 315 H CYS 42 H CYS 42 6.187 6.655 -3.824 316 HA CYS 42 HA CYS 42 7.686 5.956 -5.406 317 1HB CYS 42 2HB CYS 42 9.247 6.982 -3.423 318 2HB CYS 42 1HB CYS 42 9.826 5.320 -3.453 319 HG CYS 42 HG CYS 42 9.829 6.604 -6.208 320 H SER 43 H SER 43 6.012 4.234 -3.632 321 HA SER 43 HA SER 43 6.621 1.712 -4.701 322 1HB SER 43 2HB SER 43 7.013 0.607 -2.421 323 2HB SER 43 1HB SER 43 8.367 1.479 -3.138 324 HG SER 43 HG SER 43 6.581 2.699 -1.317 325 H GLY 44 H GLY 44 4.565 3.899 -3.224 326 1HA GLY 44 2HA GLY 44 2.748 2.336 -1.780 327 2HA GLY 44 1HA GLY 44 2.370 3.842 -2.595 328 H PHE 45 H PHE 45 2.991 0.439 -3.331 329 HA PHE 45 HA PHE 45 0.548 0.011 -4.657 330 1HB PHE 45 2HB PHE 45 1.572 -0.096 -6.992 331 2HB PHE 45 1HB PHE 45 1.307 1.521 -6.323 332 HD1 PHE 45 1HD PHE 45 3.944 -1.099 -6.134 333 HD2 PHE 45 2HD PHE 45 3.015 3.012 -6.680 334 HE1 PHE 45 1HE PHE 45 6.316 -0.615 -6.392 335 HE2 PHE 45 2HE PHE 45 5.405 3.520 -6.938 336 HZ PHE 45 HZ PHE 45 7.069 1.702 -6.811 337 H GLN 46 H GLN 46 2.997 -1.239 -3.067 338 HA GLN 46 HA GLN 46 3.242 -3.662 -4.707 339 1HB GLN 46 2HB GLN 46 4.997 -2.380 -2.657 340 2HB GLN 46 1HB GLN 46 5.068 -4.127 -2.857 341 1HG GLN 46 2HG GLN 46 5.612 -3.860 -5.203 342 2HG GLN 46 1HG GLN 46 5.483 -2.109 -5.049 343 1HE2 GLN 46 1HE2 GLN 46 6.984 -1.055 -3.575 344 2HE2 GLN 46 2HE2 GLN 46 8.573 -1.715 -3.382 345 H TYR 47 H TYR 47 3.369 -3.019 -1.221 346 HA TYR 47 HA TYR 47 2.224 -3.916 0.529 347 1HB TYR 47 2HB TYR 47 0.241 -5.148 -1.351 348 2HB TYR 47 1HB TYR 47 -0.020 -4.491 0.260 349 HD1 TYR 47 1HD TYR 47 0.535 -1.886 0.442 350 HD2 TYR 47 2HD TYR 47 -0.520 -3.921 -3.141 351 HE1 TYR 47 1HE TYR 47 -0.198 0.243 -0.543 352 HE2 TYR 47 2HE TYR 47 -1.259 -1.795 -4.136 353 HH TYR 47 HH TYR 47 -0.583 1.244 -2.688 354 H GLY 48 H GLY 48 2.789 -5.625 1.666 355 1HA GLY 48 2HA GLY 48 3.887 -7.937 0.321 356 2HA GLY 48 1HA GLY 48 3.878 -7.645 2.051 357 H PHE 49 H PHE 49 3.059 -9.950 0.193 358 HA PHE 49 HA PHE 49 0.306 -10.290 1.136 359 1HB PHE 49 2HB PHE 49 1.835 -11.336 -1.204 360 2HB PHE 49 1HB PHE 49 0.460 -12.251 -0.598 361 HD1 PHE 49 1HD PHE 49 0.818 -8.579 -0.654 362 HD2 PHE 49 2HD PHE 49 -1.054 -11.990 -2.355 363 HE1 PHE 49 1HE PHE 49 -0.707 -7.108 -1.871 364 HE2 PHE 49 2HE PHE 49 -2.607 -10.535 -3.581 365 HZ PHE 49 HZ PHE 49 -2.432 -8.084 -3.350 366 H THR 50 H THR 50 -0.292 -11.872 2.443 367 HA THR 50 HA THR 50 1.601 -14.037 3.054 368 HB THR 50 HB THR 50 1.581 -12.221 4.850 369 HG1 THR 50 1HG THR 50 0.719 -14.786 5.675 370 1HG2 THR 50 1HG2 THR 50 -0.220 -11.767 6.122 371 2HG2 THR 50 2HG2 THR 50 -0.885 -13.397 5.957 372 3HG2 THR 50 3HG2 THR 50 -1.075 -12.223 4.654 373 H PHE 51 H PHE 51 0.512 -15.957 3.967 374 HA PHE 51 HA PHE 51 -2.198 -16.177 2.883 375 1HB PHE 51 2HB PHE 51 -0.394 -18.491 3.598 376 2HB PHE 51 1HB PHE 51 -1.757 -18.463 2.473 377 HD1 PHE 51 1HD PHE 51 -1.552 -17.007 0.398 378 HD2 PHE 51 2HD PHE 51 1.769 -18.080 2.821 379 HE1 PHE 51 1HE PHE 51 -0.028 -16.363 -1.421 380 HE2 PHE 51 2HE PHE 51 3.304 -17.457 0.997 381 HZ PHE 51 HZ PHE 51 2.410 -16.596 -1.120 382 H ASP 52 H ASP 52 -3.452 -15.499 4.454 383 HA ASP 52 HA ASP 52 -3.282 -16.816 7.076 384 1HB ASP 52 2HB ASP 52 -2.799 -14.518 7.384 385 2HB ASP 52 1HB ASP 52 -4.094 -14.026 6.295 386 H GLU 53 H GLU 53 -4.723 -18.407 7.059 387 HA GLU 53 HA GLU 53 -7.209 -18.267 5.646 388 1HB GLU 53 2HB GLU 53 -5.581 -20.289 6.670 389 2HB GLU 53 1HB GLU 53 -7.077 -20.401 7.585 390 1HG GLU 53 2HG GLU 53 -7.626 -20.046 4.796 391 2HG GLU 53 1HG GLU 53 -6.555 -21.408 5.050 392 H LYS 54 H LYS 54 -6.251 -17.484 8.887 393 HA LYS 54 HA LYS 54 -8.624 -17.993 10.237 394 1HB LYS 54 2HB LYS 54 -7.804 -15.801 11.583 395 2HB LYS 54 1HB LYS 54 -7.148 -17.403 11.828 396 1HG LYS 54 2HG LYS 54 -5.735 -16.108 9.707 397 2HG LYS 54 1HG LYS 54 -5.785 -15.060 11.121 398 1HD LYS 54 2HD LYS 54 -3.894 -16.314 11.532 399 2HD LYS 54 1HD LYS 54 -5.123 -17.233 12.408 400 1HE LYS 54 2HE LYS 54 -3.865 -18.822 11.202 401 2HE LYS 54 1HE LYS 54 -5.372 -18.632 10.316 402 1HZ LYS 54 1HZ LYS 54 -4.286 -17.262 8.713 403 2HZ LYS 54 2HZ LYS 54 -3.355 -18.667 8.901 404 3HZ LYS 54 3HZ LYS 54 -2.856 -17.220 9.619 405 H VAL 55 H VAL 55 -7.972 -14.586 10.201 406 HA VAL 55 HA VAL 55 -10.017 -13.875 8.342 407 HB VAL 55 HB VAL 55 -10.838 -12.853 10.960 408 1HG1 VAL 55 1HG1 VAL 55 -11.887 -12.927 8.466 409 2HG1 VAL 55 2HG1 VAL 55 -12.809 -12.622 9.935 410 3HG1 VAL 55 3HG1 VAL 55 -12.763 -14.244 9.247 411 1HG2 VAL 55 1HG2 VAL 55 -11.960 -14.803 11.750 412 2HG2 VAL 55 2HG2 VAL 55 -10.251 -15.198 11.530 413 3HG2 VAL 55 3HG2 VAL 55 -11.439 -15.730 10.344 414 H ASN 56 H ASN 56 -8.921 -12.592 11.434 415 HA ASN 56 HA ASN 56 -7.563 -10.808 11.935 416 1HB ASN 56 2HB ASN 56 -7.612 -9.901 9.070 417 2HB ASN 56 1HB ASN 56 -6.429 -9.529 10.319 418 1HD2 ASN 56 1HD2 ASN 56 -6.198 -12.220 11.278 419 2HD2 ASN 56 2HD2 ASN 56 -5.340 -13.118 10.081 420 H ASP 57 H ASP 57 -9.442 -10.166 13.064 421 HA ASP 57 HA ASP 57 -11.670 -8.913 12.105 422 1HB ASP 57 2HB ASP 57 -10.212 -8.199 14.653 423 2HB ASP 57 1HB ASP 57 -11.899 -7.859 14.307 424 H GLY 58 H GLY 58 -12.207 -6.940 11.350 425 1HA GLY 58 2HA GLY 58 -11.975 -4.745 10.666 426 2HA GLY 58 1HA GLY 58 -10.547 -4.627 11.700 427 H ASP 59 H ASP 59 -11.169 -6.923 9.106 428 HA ASP 59 HA ASP 59 -9.055 -5.690 7.490 429 1HB ASP 59 2HB ASP 59 -8.135 -7.640 8.797 430 2HB ASP 59 1HB ASP 59 -9.313 -8.667 7.985 431 H LEU 60 H LEU 60 -10.125 -5.046 5.708 432 HA LEU 60 HA LEU 60 -12.505 -6.167 4.747 433 1HB LEU 60 2HB LEU 60 -10.517 -4.741 3.011 434 2HB LEU 60 1HB LEU 60 -12.261 -4.779 2.851 435 HG LEU 60 HG LEU 60 -10.551 -3.108 4.623 436 1HD1 LEU 60 1HD1 LEU 60 -11.377 -1.950 2.793 437 2HD1 LEU 60 2HD1 LEU 60 -12.519 -1.537 4.071 438 3HD1 LEU 60 3HD1 LEU 60 -12.947 -2.751 2.864 439 1HD2 LEU 60 1HD2 LEU 60 -12.771 -2.635 5.905 440 2HD2 LEU 60 2HD2 LEU 60 -11.760 -3.999 6.387 441 3HD2 LEU 60 3HD2 LEU 60 -13.198 -4.269 5.401 442 H THR 61 H THR 61 -12.948 -7.647 3.116 443 HA THR 61 HA THR 61 -10.630 -9.171 2.154 444 HB THR 61 HB THR 61 -11.533 -11.194 2.745 445 HG1 THR 61 1HG THR 61 -13.529 -11.031 1.756 446 1HG2 THR 61 1HG2 THR 61 -12.049 -11.176 4.975 447 2HG2 THR 61 2HG2 THR 61 -13.027 -9.711 4.853 448 3HG2 THR 61 3HG2 THR 61 -11.262 -9.608 4.779 449 H ILE 62 H ILE 62 -10.668 -9.980 0.134 450 HA ILE 62 HA ILE 62 -13.002 -9.481 -1.580 451 HB ILE 62 HB ILE 62 -11.015 -8.994 -3.320 452 1HG1 ILE 62 2HG1 ILE 62 -9.354 -9.159 -1.396 453 2HG1 ILE 62 1HG1 ILE 62 -9.226 -7.738 -2.420 454 1HG2 ILE 62 1HG2 ILE 62 -13.094 -7.644 -2.473 455 2HG2 ILE 62 2HG2 ILE 62 -11.826 -6.866 -3.418 456 3HG2 ILE 62 3HG2 ILE 62 -11.866 -6.673 -1.669 457 1HD1 ILE 62 1HD1 ILE 62 -9.439 -6.422 -0.656 458 2HD1 ILE 62 2HD1 ILE 62 -9.465 -7.852 0.373 459 3HD1 ILE 62 3HD1 ILE 62 -10.977 -7.173 -0.229 460 H GLU 63 H GLU 63 -13.555 -11.606 -1.963 461 HA GLU 63 HA GLU 63 -11.799 -13.768 -2.087 462 1HB GLU 63 2HB GLU 63 -14.341 -13.769 -1.849 463 2HB GLU 63 1HB GLU 63 -14.386 -13.667 -3.601 464 1HG GLU 63 2HG GLU 63 -13.775 -15.802 -3.875 465 2HG GLU 63 1HG GLU 63 -12.676 -15.787 -2.502 466 H LYS 64 H LYS 64 -11.117 -15.101 -3.890 467 HA LYS 64 HA LYS 64 -11.185 -13.837 -6.509 468 1HB LYS 64 2HB LYS 64 -9.189 -12.897 -5.414 469 2HB LYS 64 1HB LYS 64 -8.568 -14.524 -5.172 470 1HG LYS 64 2HG LYS 64 -7.479 -13.584 -7.064 471 2HG LYS 64 1HG LYS 64 -8.562 -14.830 -7.629 472 1HD LYS 64 2HD LYS 64 -10.108 -13.249 -8.455 473 2HD LYS 64 1HD LYS 64 -9.349 -11.933 -7.554 474 1HE LYS 64 2HE LYS 64 -7.725 -11.649 -9.079 475 2HE LYS 64 1HE LYS 64 -7.598 -13.378 -9.413 476 1HZ LYS 64 1HZ LYS 64 -9.445 -13.277 -10.861 477 2HZ LYS 64 2HZ LYS 64 -8.455 -11.973 -11.285 478 3HZ LYS 64 3HZ LYS 64 -9.854 -11.708 -10.374 479 H SER 65 H SER 65 -10.120 -15.113 -8.166 480 HA SER 65 HA SER 65 -11.084 -17.253 -9.069 481 1HB SER 65 2HB SER 65 -8.445 -16.166 -9.212 482 2HB SER 65 1HB SER 65 -8.343 -17.930 -9.284 483 HG SER 65 HG SER 65 -9.239 -16.183 -11.152 484 H GLY 66 H GLY 66 -8.433 -17.770 -6.676 485 1HA GLY 66 2HA GLY 66 -9.665 -20.443 -6.267 486 2HA GLY 66 1HA GLY 66 -7.929 -20.207 -6.360 487 H VAL 67 H VAL 67 -9.087 -17.629 -4.642 488 HA VAL 67 HA VAL 67 -9.323 -19.014 -2.106 489 HB VAL 67 HB VAL 67 -7.412 -18.048 -1.051 490 1HG1 VAL 67 1HG1 VAL 67 -7.037 -20.094 -2.361 491 2HG1 VAL 67 2HG1 VAL 67 -5.594 -19.095 -2.240 492 3HG1 VAL 67 3HG1 VAL 67 -6.540 -19.094 -3.727 493 1HG2 VAL 67 1HG2 VAL 67 -6.335 -16.827 -3.521 494 2HG2 VAL 67 2HG2 VAL 67 -6.157 -16.327 -1.835 495 3HG2 VAL 67 3HG2 VAL 67 -7.644 -15.973 -2.713 496 H GLN 68 H GLN 68 -8.605 -16.735 -0.533 497 HA GLN 68 HA GLN 68 -10.493 -14.700 -1.398 498 1HB GLN 68 2HB GLN 68 -12.022 -15.319 0.085 499 2HB GLN 68 1HB GLN 68 -10.975 -16.602 0.661 500 1HG GLN 68 2HG GLN 68 -11.314 -15.487 2.576 501 2HG GLN 68 1HG GLN 68 -9.885 -14.632 2.032 502 1HE2 GLN 68 1HE2 GLN 68 -11.146 -13.091 0.020 503 2HE2 GLN 68 2HE2 GLN 68 -12.127 -11.919 0.806 504 H LEU 69 H LEU 69 -9.626 -12.745 -1.277 505 HA LEU 69 HA LEU 69 -7.107 -12.409 0.122 506 1HB LEU 69 2HB LEU 69 -8.549 -11.017 -2.019 507 2HB LEU 69 1HB LEU 69 -7.734 -9.945 -0.904 508 HG LEU 69 HG LEU 69 -6.443 -10.583 -2.959 509 1HD1 LEU 69 1HD1 LEU 69 -5.275 -9.613 -1.153 510 2HD1 LEU 69 2HD1 LEU 69 -4.340 -11.011 -1.683 511 3HD1 LEU 69 3HD1 LEU 69 -5.327 -11.114 -0.225 512 1HD2 LEU 69 1HD2 LEU 69 -5.278 -12.791 -2.836 513 2HD2 LEU 69 2HD2 LEU 69 -7.004 -12.897 -3.176 514 3HD2 LEU 69 3HD2 LEU 69 -6.402 -13.249 -1.558 515 H VAL 70 H VAL 70 -6.725 -11.001 1.782 516 HA VAL 70 HA VAL 70 -8.895 -9.436 2.887 517 HB VAL 70 HB VAL 70 -9.321 -10.599 4.742 518 1HG1 VAL 70 1HG1 VAL 70 -8.010 -12.627 2.983 519 2HG1 VAL 70 2HG1 VAL 70 -9.721 -12.403 3.361 520 3HG1 VAL 70 3HG1 VAL 70 -8.630 -13.087 4.568 521 1HG2 VAL 70 1HG2 VAL 70 -7.110 -10.056 5.704 522 2HG2 VAL 70 2HG2 VAL 70 -6.460 -11.516 4.959 523 3HG2 VAL 70 3HG2 VAL 70 -7.717 -11.632 6.184 524 H ILE 71 H ILE 71 -7.928 -7.498 2.874 525 HA ILE 71 HA ILE 71 -5.154 -7.376 3.841 526 HB ILE 71 HB ILE 71 -4.694 -5.574 2.465 527 1HG1 ILE 71 2HG1 ILE 71 -6.649 -4.194 3.087 528 2HG1 ILE 71 1HG1 ILE 71 -6.338 -4.171 1.356 529 1HG2 ILE 71 1HG2 ILE 71 -6.726 -7.101 0.851 530 2HG2 ILE 71 2HG2 ILE 71 -5.109 -7.690 1.230 531 3HG2 ILE 71 3HG2 ILE 71 -5.310 -6.239 0.250 532 1HD1 ILE 71 1HD1 ILE 71 -8.573 -4.481 1.291 533 2HD1 ILE 71 2HD1 ILE 71 -8.617 -5.287 2.860 534 3HD1 ILE 71 3HD1 ILE 71 -8.087 -6.172 1.429 535 H ASP 72 H ASP 72 -4.493 -5.484 5.005 536 HA ASP 72 HA ASP 72 -6.371 -4.896 7.115 537 1HB ASP 72 2HB ASP 72 -4.430 -3.601 8.078 538 2HB ASP 72 1HB ASP 72 -4.118 -5.313 7.786 539 HA PRO 73 HA PRO 73 -8.224 -1.103 5.879 540 1HB PRO 73 2HB PRO 73 -7.273 -0.153 8.552 541 2HB PRO 73 1HB PRO 73 -8.868 -0.001 7.808 542 1HG PRO 73 2HG PRO 73 -8.421 -1.839 9.678 543 2HG PRO 73 1HG PRO 73 -9.442 -2.198 8.274 544 1HD PRO 73 2HD PRO 73 -6.680 -3.104 8.879 545 2HD PRO 73 1HD PRO 73 -7.957 -3.916 7.957 546 H MET 74 H MET 74 -5.012 -0.958 7.380 547 HA MET 74 HA MET 74 -4.341 1.629 6.657 548 1HB MET 74 2HB MET 74 -2.750 0.815 8.065 549 2HB MET 74 1HB MET 74 -2.877 -0.815 7.428 550 1HG MET 74 2HG MET 74 -1.264 -0.488 5.880 551 2HG MET 74 1HG MET 74 -1.614 1.230 5.697 552 1HE MET 74 1HE MET 74 -1.197 2.936 7.585 553 2HE MET 74 2HE MET 74 0.080 2.807 8.793 554 3HE MET 74 3HE MET 74 -1.467 2.002 9.057 555 H SER 75 H SER 75 -4.125 -1.381 4.864 556 HA SER 75 HA SER 75 -2.910 -0.159 2.572 557 1HB SER 75 2HB SER 75 -3.079 -2.296 1.534 558 2HB SER 75 1HB SER 75 -2.734 -2.622 3.232 559 HG SER 75 HG SER 75 -4.499 -3.739 3.237 560 H LEU 76 H LEU 76 -6.151 -0.882 3.679 561 HA LEU 76 HA LEU 76 -7.689 -0.809 1.458 562 1HB LEU 76 2HB LEU 76 -9.096 -1.002 3.166 563 2HB LEU 76 1HB LEU 76 -8.062 -0.090 4.239 564 HG LEU 76 HG LEU 76 -9.804 1.290 2.211 565 1HD1 LEU 76 1HD1 LEU 76 -11.337 -0.022 3.440 566 2HD1 LEU 76 2HD1 LEU 76 -11.380 1.592 4.152 567 3HD1 LEU 76 3HD1 LEU 76 -10.486 0.299 4.950 568 1HD2 LEU 76 1HD2 LEU 76 -9.606 2.790 4.515 569 2HD2 LEU 76 2HD2 LEU 76 -8.664 3.023 3.044 570 3HD2 LEU 76 3HD2 LEU 76 -8.014 2.053 4.365 571 H GLN 77 H GLN 77 -6.342 2.041 3.060 572 HA GLN 77 HA GLN 77 -7.487 3.778 1.088 573 1HB GLN 77 2HB GLN 77 -7.107 5.468 2.509 574 2HB GLN 77 1HB GLN 77 -6.854 4.184 3.675 575 1HG GLN 77 2HG GLN 77 -4.391 4.752 2.315 576 2HG GLN 77 1HG GLN 77 -5.092 6.237 2.952 577 1HE2 GLN 77 1HE2 GLN 77 -5.047 2.893 4.081 578 2HE2 GLN 77 2HE2 GLN 77 -4.371 3.240 5.628 579 H TYR 78 H TYR 78 -4.559 2.033 1.436 580 HA TYR 78 HA TYR 78 -3.030 3.753 -0.300 581 1HB TYR 78 2HB TYR 78 -2.505 1.058 0.937 582 2HB TYR 78 1HB TYR 78 -1.397 1.785 -0.226 583 HD1 TYR 78 1HD TYR 78 -3.279 3.154 2.704 584 HD2 TYR 78 2HD TYR 78 0.494 2.518 0.851 585 HE1 TYR 78 1HE TYR 78 -2.182 4.354 4.544 586 HE2 TYR 78 2HE TYR 78 1.604 3.724 2.683 587 HH TYR 78 HH TYR 78 1.165 4.297 5.044 588 H LEU 79 H LEU 79 -4.698 0.663 -0.506 589 HA LEU 79 HA LEU 79 -3.973 0.377 -3.301 590 1HB LEU 79 2HB LEU 79 -4.897 -1.826 -3.225 591 2HB LEU 79 1HB LEU 79 -3.803 -1.572 -1.896 592 HG LEU 79 HG LEU 79 -6.233 -2.788 -1.728 593 1HD1 LEU 79 1HD1 LEU 79 -4.877 -3.250 0.005 594 2HD1 LEU 79 2HD1 LEU 79 -5.901 -2.060 0.810 595 3HD1 LEU 79 3HD1 LEU 79 -4.330 -1.580 0.166 596 1HD2 LEU 79 1HD2 LEU 79 -7.682 -1.349 -0.377 597 2HD2 LEU 79 2HD2 LEU 79 -7.514 -0.754 -2.025 598 3HD2 LEU 79 3HD2 LEU 79 -6.625 0.020 -0.711 599 H ILE 80 H ILE 80 -6.568 1.669 -1.589 600 HA ILE 80 HA ILE 80 -8.919 1.301 -2.457 601 HB ILE 80 HB ILE 80 -9.453 3.598 -2.826 602 1HG1 ILE 80 2HG1 ILE 80 -7.755 4.132 -4.492 603 2HG1 ILE 80 1HG1 ILE 80 -7.719 5.309 -3.183 604 1HG2 ILE 80 1HG2 ILE 80 -8.931 3.090 -0.559 605 2HG2 ILE 80 2HG2 ILE 80 -8.258 4.678 -0.933 606 3HG2 ILE 80 3HG2 ILE 80 -7.204 3.266 -0.870 607 1HD1 ILE 80 1HD1 ILE 80 -5.822 4.042 -2.201 608 2HD1 ILE 80 2HD1 ILE 80 -5.479 4.766 -3.772 609 3HD1 ILE 80 3HD1 ILE 80 -5.816 3.040 -3.646 610 H GLY 81 H GLY 81 -9.972 0.643 -4.064 611 1HA GLY 81 2HA GLY 81 -10.353 -0.224 -6.180 612 2HA GLY 81 1HA GLY 81 -10.572 1.495 -6.453 613 H GLY 82 H GLY 82 -7.459 -0.132 -5.920 614 1HA GLY 82 2HA GLY 82 -6.581 0.932 -8.500 615 2HA GLY 82 1HA GLY 82 -5.553 0.212 -7.263 616 H THR 83 H THR 83 -4.520 -1.103 -8.838 617 HA THR 83 HA THR 83 -5.970 -3.572 -9.377 618 HB THR 83 HB THR 83 -4.847 -1.786 -11.526 619 HG1 THR 83 1HG THR 83 -7.249 -3.261 -11.231 620 1HG2 THR 83 1HG2 THR 83 -3.886 -3.552 -12.490 621 2HG2 THR 83 2HG2 THR 83 -5.535 -4.046 -12.873 622 3HG2 THR 83 3HG2 THR 83 -4.725 -4.702 -11.448 623 H VAL 84 H VAL 84 -4.622 -5.337 -9.187 624 HA VAL 84 HA VAL 84 -1.733 -4.779 -9.192 625 HB VAL 84 HB VAL 84 -1.513 -5.213 -7.046 626 1HG1 VAL 84 1HG1 VAL 84 -3.947 -4.501 -6.931 627 2HG1 VAL 84 2HG1 VAL 84 -3.278 -5.353 -5.546 628 3HG1 VAL 84 3HG1 VAL 84 -4.307 -6.208 -6.693 629 1HG2 VAL 84 1HG2 VAL 84 -2.162 -7.544 -6.166 630 2HG2 VAL 84 2HG2 VAL 84 -0.913 -7.411 -7.403 631 3HG2 VAL 84 3HG2 VAL 84 -2.547 -7.894 -7.850 632 H ASP 85 H ASP 85 -0.355 -6.622 -9.446 633 HA ASP 85 HA ASP 85 -1.534 -9.054 -10.448 634 1HB ASP 85 2HB ASP 85 -0.143 -8.913 -12.575 635 2HB ASP 85 1HB ASP 85 -1.571 -7.884 -12.493 636 H TYR 86 H TYR 86 -0.123 -10.801 -10.473 637 HA TYR 86 HA TYR 86 2.508 -10.281 -9.260 638 1HB TYR 86 2HB TYR 86 0.387 -11.747 -8.227 639 2HB TYR 86 1HB TYR 86 1.491 -12.968 -8.837 640 HD1 TYR 86 1HD TYR 86 0.581 -11.782 -5.929 641 HD2 TYR 86 2HD TYR 86 4.101 -11.769 -8.305 642 HE1 TYR 86 1HE TYR 86 1.939 -11.553 -3.893 643 HE2 TYR 86 2HE TYR 86 5.478 -11.548 -6.285 644 HH TYR 86 HH TYR 86 4.151 -10.773 -3.235 645 H THR 87 H THR 87 4.250 -11.241 -10.156 646 HA THR 87 HA THR 87 3.876 -13.309 -12.169 647 HB THR 87 HB THR 87 5.290 -10.703 -12.742 648 HG1 THR 87 1HG THR 87 2.920 -11.873 -13.748 649 1HG2 THR 87 1HG2 THR 87 5.981 -11.491 -14.791 650 2HG2 THR 87 2HG2 THR 87 4.843 -12.837 -14.776 651 3HG2 THR 87 3HG2 THR 87 6.272 -12.879 -13.741 652 H GLU 88 H GLU 88 4.929 -14.697 -10.754 653 HA GLU 88 HA GLU 88 7.587 -14.058 -9.807 654 1HB GLU 88 2HB GLU 88 6.336 -16.793 -9.715 655 2HB GLU 88 1HB GLU 88 7.528 -16.094 -8.627 656 1HG GLU 88 2HG GLU 88 5.942 -15.388 -7.267 657 2HG GLU 88 1HG GLU 88 5.161 -14.500 -8.573 658 H GLY 89 H GLY 89 9.296 -15.836 -10.133 659 1HA GLY 89 2HA GLY 89 10.234 -17.462 -11.667 660 2HA GLY 89 1HA GLY 89 9.304 -16.697 -12.957 661 H LEU 90 H LEU 90 9.822 -14.050 -12.546 662 HA LEU 90 HA LEU 90 12.578 -13.869 -13.432 663 1HB LEU 90 2HB LEU 90 10.150 -12.283 -13.707 664 2HB LEU 90 1HB LEU 90 11.541 -11.288 -13.300 665 HG LEU 90 HG LEU 90 12.727 -12.025 -15.257 666 1HD1 LEU 90 1HD1 LEU 90 12.180 -14.302 -15.451 667 2HD1 LEU 90 2HD1 LEU 90 11.514 -13.539 -16.895 668 3HD1 LEU 90 3HD1 LEU 90 10.453 -13.962 -15.551 669 1HD2 LEU 90 1HD2 LEU 90 11.087 -11.322 -17.046 670 2HD2 LEU 90 2HD2 LEU 90 11.305 -10.193 -15.708 671 3HD2 LEU 90 3HD2 LEU 90 9.875 -11.224 -15.770 672 H GLU 91 H GLU 91 14.037 -13.886 -11.840 673 HA GLU 91 HA GLU 91 15.237 -13.219 -10.031 674 1HB GLU 91 2HB GLU 91 13.339 -10.913 -9.666 675 2HB GLU 91 1HB GLU 91 15.048 -11.005 -9.242 676 1HG GLU 91 2HG GLU 91 14.750 -11.453 -12.044 677 2HG GLU 91 1HG GLU 91 13.881 -9.984 -11.593 678 H GLY 92 H GLY 92 12.420 -14.625 -9.911 679 1HA GLY 92 2HA GLY 92 12.048 -15.958 -7.868 680 2HA GLY 92 1HA GLY 92 12.223 -14.457 -6.966 681 H SER 93 H SER 93 10.506 -13.058 -6.823 682 HA SER 93 HA SER 93 8.041 -13.598 -8.219 683 1HB SER 93 2HB SER 93 6.713 -13.804 -6.172 684 2HB SER 93 1HB SER 93 7.921 -15.085 -6.260 685 HG SER 93 HG SER 93 9.246 -13.632 -4.917 686 H ARG 94 H ARG 94 8.151 -11.543 -9.121 687 HA ARG 94 HA ARG 94 8.459 -9.250 -7.370 688 1HB ARG 94 2HB ARG 94 8.218 -7.917 -9.461 689 2HB ARG 94 1HB ARG 94 9.532 -9.083 -9.514 690 1HG ARG 94 2HG ARG 94 8.496 -9.190 -11.613 691 2HG ARG 94 1HG ARG 94 7.942 -10.621 -10.738 692 1HD ARG 94 2HD ARG 94 5.811 -9.969 -10.844 693 2HD ARG 94 1HD ARG 94 6.208 -8.339 -10.299 694 HE ARG 94 HE ARG 94 6.899 -8.845 -13.044 695 1HH1 ARG 94 1HH1 ARG 94 4.366 -7.829 -10.869 696 2HH1 ARG 94 2HH1 ARG 94 3.503 -6.950 -12.086 697 1HH2 ARG 94 1HH2 ARG 94 5.767 -7.688 -14.644 698 2HH2 ARG 94 2HH2 ARG 94 4.298 -6.869 -14.229 699 H PHE 95 H PHE 95 6.885 -7.669 -6.999 700 HA PHE 95 HA PHE 95 4.138 -8.354 -7.784 701 1HB PHE 95 2HB PHE 95 4.697 -9.180 -5.453 702 2HB PHE 95 1HB PHE 95 4.878 -7.491 -4.988 703 HD1 PHE 95 1HD PHE 95 3.112 -6.845 -3.685 704 HD2 PHE 95 2HD PHE 95 2.381 -9.296 -7.085 705 HE1 PHE 95 1HE PHE 95 0.699 -6.693 -3.264 706 HE2 PHE 95 2HE PHE 95 -0.040 -9.146 -6.677 707 HZ PHE 95 HZ PHE 95 -0.882 -7.839 -4.771 708 H THR 96 H THR 96 3.004 -6.649 -8.515 709 HA THR 96 HA THR 96 3.682 -3.990 -7.515 710 HB THR 96 HB THR 96 3.393 -4.293 -10.479 711 HG1 THR 96 1HG THR 96 5.637 -4.479 -10.628 712 1HG2 THR 96 1HG2 THR 96 3.327 -2.044 -9.733 713 2HG2 THR 96 2HG2 THR 96 4.919 -2.317 -10.443 714 3HG2 THR 96 3HG2 THR 96 4.733 -2.279 -8.684 715 H VAL 97 H VAL 97 2.043 -2.533 -7.546 716 HA VAL 97 HA VAL 97 -0.567 -3.473 -8.535 717 HB VAL 97 HB VAL 97 -0.282 -1.780 -6.060 718 1HG1 VAL 97 1HG1 VAL 97 -2.454 -3.313 -7.384 719 2HG1 VAL 97 2HG1 VAL 97 -2.485 -1.712 -6.643 720 3HG1 VAL 97 3HG1 VAL 97 -2.475 -3.155 -5.628 721 1HG2 VAL 97 1HG2 VAL 97 0.586 -4.474 -6.287 722 2HG2 VAL 97 2HG2 VAL 97 -0.900 -4.461 -5.340 723 3HG2 VAL 97 3HG2 VAL 97 0.470 -3.475 -4.840 724 H ASN 98 H ASN 98 -2.173 -1.518 -8.570 725 HA ASN 98 HA ASN 98 -0.799 0.944 -9.379 726 1HB ASN 98 2HB ASN 98 -2.739 -0.660 -11.039 727 2HB ASN 98 1HB ASN 98 -2.463 1.060 -11.326 728 1HD2 ASN 98 1HD2 ASN 98 -1.519 -2.004 -12.149 729 2HD2 ASN 98 2HD2 ASN 98 0.011 -1.642 -12.845 730 H ASN 99 H ASN 99 -1.803 2.764 -8.736 731 HA ASN 99 HA ASN 99 -4.572 3.080 -8.389 732 1HB ASN 99 2HB ASN 99 -4.788 3.021 -5.974 733 2HB ASN 99 1HB ASN 99 -4.138 1.482 -6.522 734 1HD2 ASN 99 1HD2 ASN 99 -2.533 0.728 -5.390 735 2HD2 ASN 99 2HD2 ASN 99 -1.409 1.652 -4.461 736 HA PRO 100 HA PRO 100 -3.381 7.311 -8.006 737 1HB PRO 100 2HB PRO 100 -4.904 8.395 -6.030 738 2HB PRO 100 1HB PRO 100 -5.539 7.965 -7.625 739 1HG PRO 100 2HG PRO 100 -5.769 6.521 -5.031 740 2HG PRO 100 1HG PRO 100 -6.948 6.671 -6.344 741 1HD PRO 100 2HD PRO 100 -5.398 4.458 -5.900 742 2HD PRO 100 1HD PRO 100 -6.084 4.883 -7.472 743 H ASN 101 H ASN 101 -3.551 5.797 -4.817 744 HA ASN 101 HA ASN 101 -2.008 7.614 -3.386 745 1HB ASN 101 2HB ASN 101 -2.610 6.180 -1.779 746 2HB ASN 101 1HB ASN 101 -3.069 4.979 -2.985 747 1HD2 ASN 101 1HD2 ASN 101 -1.300 3.637 -3.842 748 2HD2 ASN 101 2HD2 ASN 101 -0.036 3.164 -2.758 749 H ALA 102 H ALA 102 -1.065 5.485 -5.893 750 HA ALA 102 HA ALA 102 1.688 5.222 -5.131 751 1HB ALA 102 1HB ALA 102 0.142 4.569 -7.616 752 2HB ALA 102 2HB ALA 102 0.877 3.470 -6.451 753 3HB ALA 102 3HB ALA 102 1.896 4.406 -7.543 754 H THR 103 H THR 103 0.186 7.953 -5.849 755 HA THR 103 HA THR 103 0.805 9.979 -6.655 756 HB THR 103 HB THR 103 3.603 9.449 -7.209 757 HG1 THR 103 1HG THR 103 3.788 7.914 -5.762 758 1HG2 THR 103 1HG2 THR 103 3.133 11.632 -6.633 759 2HG2 THR 103 2HG2 THR 103 3.812 10.972 -5.144 760 3HG2 THR 103 3HG2 THR 103 2.066 11.162 -5.309 761 H SER 104 H SER 104 -0.283 9.976 -8.580 762 HA SER 104 HA SER 104 1.189 10.185 -10.948 763 1HB SER 104 2HB SER 104 0.123 7.487 -10.340 764 2HB SER 104 1HB SER 104 -0.163 8.081 -11.975 765 HG SER 104 HG SER 104 2.043 8.334 -12.241 766 H THR 105 H THR 105 -0.089 12.055 -11.032 767 HA THR 105 HA THR 105 -2.964 11.669 -11.454 768 HB THR 105 HB THR 105 -2.803 14.307 -11.426 769 HG1 THR 105 1HG THR 105 -1.070 15.090 -10.403 770 1HG2 THR 105 1HG2 THR 105 -3.820 14.100 -9.478 771 2HG2 THR 105 2HG2 THR 105 -2.323 13.582 -8.702 772 3HG2 THR 105 3HG2 THR 105 -3.376 12.393 -9.470 773 H CYS 106 H CYS 106 -0.793 14.142 -12.780 774 HA CYS 106 HA CYS 106 -0.711 13.203 -15.414 775 1HB CYS 106 2HB CYS 106 -3.246 13.850 -14.963 776 2HB CYS 106 1HB CYS 106 -2.650 15.469 -15.314 777 HG CYS 106 HG CYS 106 -2.358 14.875 -17.710 778 H GLY 107 H GLY 107 1.016 14.459 -13.560 779 1HA GLY 107 2HA GLY 107 1.362 17.214 -14.372 780 2HA GLY 107 1HA GLY 107 2.396 16.308 -13.271 781 H CYS 108 H CYS 108 2.351 14.194 -15.607 782 HA CYS 108 HA CYS 108 3.751 13.594 -17.293 783 1HB CYS 108 2HB CYS 108 2.583 15.667 -18.301 784 2HB CYS 108 1HB CYS 108 4.097 16.504 -17.975 785 HG CYS 108 HG CYS 108 3.585 14.649 -20.286 786 H GLY 109 H GLY 109 5.282 12.974 -15.630 787 1HA GLY 109 2HA GLY 109 7.696 12.881 -15.536 788 2HA GLY 109 1HA GLY 109 7.720 14.628 -15.765 789 H SER 110 H SER 110 9.139 14.632 -13.890 790 HA SER 110 HA SER 110 7.807 15.388 -11.540 791 1HB SER 110 2HB SER 110 7.778 12.690 -11.677 792 2HB SER 110 1HB SER 110 9.328 12.934 -10.872 793 HG SER 110 HG SER 110 8.060 14.376 -9.426 794 H SER 111 H SER 111 10.782 14.012 -12.867 795 HA SER 111 HA SER 111 12.289 16.062 -11.384 796 1HB SER 111 2HB SER 111 14.054 14.553 -10.941 797 2HB SER 111 1HB SER 111 12.587 13.646 -10.574 798 HG SER 111 HG SER 111 13.145 12.277 -12.052 799 H PHE 112 H PHE 112 14.194 16.858 -12.420 800 HA PHE 112 HA PHE 112 13.873 17.226 -15.226 801 1HB PHE 112 2HB PHE 112 16.266 17.931 -13.519 802 2HB PHE 112 1HB PHE 112 15.861 18.606 -15.092 803 HD1 PHE 112 1HD PHE 112 14.961 18.530 -11.533 804 HD2 PHE 112 2HD PHE 112 14.216 20.324 -15.319 805 HE1 PHE 112 1HE PHE 112 13.684 20.320 -10.429 806 HE2 PHE 112 2HE PHE 112 12.939 22.118 -14.222 807 HZ PHE 112 HZ PHE 112 12.672 22.118 -11.774 808 H SER 113 H SER 113 16.306 17.187 -16.358 809 HA SER 113 HA SER 113 17.210 14.396 -16.121 810 1HB SER 113 2HB SER 113 16.786 15.989 -18.660 811 2HB SER 113 1HB SER 113 17.576 14.413 -18.587 812 HG SER 113 HG SER 113 15.535 13.717 -17.534 813 H ILE 114 H ILE 114 19.392 14.028 -16.927 814 HA ILE 114 HA ILE 114 21.297 15.612 -15.761 815 HB ILE 114 HB ILE 114 22.964 14.412 -16.990 816 1HG1 ILE 114 2HG1 ILE 114 21.952 14.684 -19.247 817 2HG1 ILE 114 1HG1 ILE 114 22.485 13.037 -18.931 818 1HG2 ILE 114 1HG2 ILE 114 22.541 12.448 -16.006 819 2HG2 ILE 114 2HG2 ILE 114 21.023 12.224 -16.874 820 3HG2 ILE 114 3HG2 ILE 114 21.072 13.239 -15.433 821 1HD1 ILE 114 1HD1 ILE 114 20.027 12.647 -18.226 822 2HD1 ILE 114 2HD1 ILE 114 20.440 12.729 -19.939 823 3HD1 ILE 114 3HD1 ILE 114 19.716 14.123 -19.139 Start of MODEL 7 1 1H MET 1 1HT MET 1 -23.130 -12.239 -3.295 2 2H MET 1 2HT MET 1 -22.378 -13.450 -4.240 3 3H MET 1 3HT MET 1 -23.117 -12.105 -5.002 4 HA MET 1 HA MET 1 -21.509 -10.713 -3.698 5 1HB MET 1 2HB MET 1 -19.512 -11.823 -2.953 6 2HB MET 1 1HB MET 1 -20.890 -12.619 -2.211 7 1HG MET 1 2HG MET 1 -20.671 -14.511 -3.539 8 2HG MET 1 1HG MET 1 -19.679 -13.680 -4.733 9 1HE MET 1 1HE MET 1 -16.378 -13.305 -3.518 10 2HE MET 1 2HE MET 1 -17.121 -12.494 -2.130 11 3HE MET 1 3HE MET 1 -17.780 -12.255 -3.749 12 H ILE 2 H ILE 2 -18.963 -10.957 -4.657 13 HA ILE 2 HA ILE 2 -19.428 -10.815 -7.534 14 HB ILE 2 HB ILE 2 -16.748 -10.103 -6.594 15 1HG1 ILE 2 2HG1 ILE 2 -17.928 -9.336 -4.621 16 2HG1 ILE 2 1HG1 ILE 2 -17.449 -7.951 -5.597 17 1HG2 ILE 2 1HG2 ILE 2 -18.275 -9.619 -8.790 18 2HG2 ILE 2 2HG2 ILE 2 -16.837 -8.708 -8.342 19 3HG2 ILE 2 3HG2 ILE 2 -18.429 -8.099 -7.908 20 1HD1 ILE 2 1HD1 ILE 2 -19.575 -7.325 -5.156 21 2HD1 ILE 2 2HD1 ILE 2 -20.134 -8.983 -4.964 22 3HD1 ILE 2 3HD1 ILE 2 -19.899 -8.319 -6.578 23 H ASP 3 H ASP 3 -16.773 -11.172 -8.357 24 HA ASP 3 HA ASP 3 -16.204 -13.963 -7.670 25 1HB ASP 3 2HB ASP 3 -17.584 -13.773 -9.781 26 2HB ASP 3 1HB ASP 3 -16.206 -12.955 -10.514 27 H ASP 4 H ASP 4 -15.040 -10.889 -8.887 28 HA ASP 4 HA ASP 4 -12.293 -11.911 -8.850 29 1HB ASP 4 2HB ASP 4 -13.485 -9.405 -10.040 30 2HB ASP 4 1HB ASP 4 -11.754 -9.724 -9.981 31 H MET 5 H MET 5 -14.219 -9.159 -7.696 32 HA MET 5 HA MET 5 -12.323 -8.900 -5.462 33 1HB MET 5 2HB MET 5 -12.672 -6.441 -5.560 34 2HB MET 5 1HB MET 5 -11.880 -7.094 -6.985 35 1HG MET 5 2HG MET 5 -13.367 -5.802 -8.061 36 2HG MET 5 1HG MET 5 -14.418 -7.194 -7.821 37 1HE MET 5 1HE MET 5 -16.948 -5.517 -7.778 38 2HE MET 5 2HE MET 5 -17.283 -6.043 -6.124 39 3HE MET 5 3HE MET 5 -16.415 -7.110 -7.238 40 H ALA 6 H ALA 6 -13.860 -6.716 -4.266 41 HA ALA 6 HA ALA 6 -16.541 -7.480 -3.909 42 1HB ALA 6 1HB ALA 6 -15.121 -9.343 -2.758 43 2HB ALA 6 2HB ALA 6 -16.586 -8.722 -1.991 44 3HB ALA 6 3HB ALA 6 -15.001 -8.156 -1.459 45 H VAL 7 H VAL 7 -13.703 -5.789 -2.655 46 HA VAL 7 HA VAL 7 -15.546 -3.732 -1.709 47 HB VAL 7 HB VAL 7 -13.285 -3.635 0.003 48 1HG1 VAL 7 1HG1 VAL 7 -15.616 -4.597 1.306 49 2HG1 VAL 7 2HG1 VAL 7 -16.097 -3.427 0.080 50 3HG1 VAL 7 3HG1 VAL 7 -14.922 -2.980 1.310 51 1HG2 VAL 7 1HG2 VAL 7 -12.829 -5.946 -0.310 52 2HG2 VAL 7 2HG2 VAL 7 -14.547 -6.353 -0.260 53 3HG2 VAL 7 3HG2 VAL 7 -13.730 -5.804 1.203 54 HA PRO 8 HA PRO 8 -12.014 -1.123 -3.091 55 1HB PRO 8 2HB PRO 8 -9.666 -1.228 -1.977 56 2HB PRO 8 1HB PRO 8 -11.083 -1.164 -0.919 57 1HG PRO 8 2HG PRO 8 -9.379 -3.515 -1.649 58 2HG PRO 8 1HG PRO 8 -10.103 -3.100 -0.083 59 1HD PRO 8 2HD PRO 8 -11.182 -4.824 -2.093 60 2HD PRO 8 1HD PRO 8 -11.957 -4.303 -0.590 61 H LEU 9 H LEU 9 -8.933 -2.230 -3.072 62 HA LEU 9 HA LEU 9 -8.507 -2.196 -5.803 63 1HB LEU 9 2HB LEU 9 -6.848 -1.815 -3.982 64 2HB LEU 9 1HB LEU 9 -6.836 -3.539 -3.678 65 HG LEU 9 HG LEU 9 -5.057 -3.628 -5.019 66 1HD1 LEU 9 1HD1 LEU 9 -6.495 -4.589 -6.617 67 2HD1 LEU 9 2HD1 LEU 9 -5.439 -3.478 -7.480 68 3HD1 LEU 9 3HD1 LEU 9 -7.095 -3.012 -7.123 69 1HD2 LEU 9 1HD2 LEU 9 -4.590 -1.666 -6.663 70 2HD2 LEU 9 2HD2 LEU 9 -4.359 -1.446 -4.930 71 3HD2 LEU 9 3HD2 LEU 9 -5.816 -0.840 -5.710 72 H THR 10 H THR 10 -8.729 -3.624 -7.381 73 HA THR 10 HA THR 10 -9.303 -6.422 -6.725 74 HB THR 10 HB THR 10 -9.694 -4.850 -9.275 75 HG1 THR 10 1HG THR 10 -11.767 -4.811 -8.738 76 1HG2 THR 10 1HG2 THR 10 -9.901 -6.725 -10.413 77 2HG2 THR 10 2HG2 THR 10 -11.129 -7.296 -9.282 78 3HG2 THR 10 3HG2 THR 10 -9.422 -7.642 -8.985 79 H PHE 11 H PHE 11 -7.716 -7.858 -6.946 80 HA PHE 11 HA PHE 11 -5.255 -7.103 -8.300 81 1HB PHE 11 2HB PHE 11 -4.262 -8.954 -7.191 82 2HB PHE 11 1HB PHE 11 -5.347 -8.221 -6.020 83 HD1 PHE 11 1HD PHE 11 -4.488 -11.111 -7.878 84 HD2 PHE 11 2HD PHE 11 -7.572 -9.292 -5.610 85 HE1 PHE 11 1HE PHE 11 -5.552 -13.296 -7.615 86 HE2 PHE 11 2HE PHE 11 -8.672 -11.481 -5.334 87 HZ PHE 11 HZ PHE 11 -7.658 -13.484 -6.347 88 H THR 12 H THR 12 -4.168 -9.196 -9.399 89 HA THR 12 HA THR 12 -5.885 -9.761 -11.678 90 HB THR 12 HB THR 12 -3.427 -9.082 -11.822 91 HG1 THR 12 1HG THR 12 -3.340 -11.251 -13.345 92 1HG2 THR 12 1HG2 THR 12 -1.752 -10.765 -11.690 93 2HG2 THR 12 2HG2 THR 12 -2.944 -11.995 -11.285 94 3HG2 THR 12 3HG2 THR 12 -2.591 -10.706 -10.140 95 H ASP 13 H ASP 13 -4.730 -12.250 -12.465 96 HA ASP 13 HA ASP 13 -6.252 -14.029 -10.727 97 1HB ASP 13 2HB ASP 13 -4.944 -14.506 -13.409 98 2HB ASP 13 1HB ASP 13 -5.948 -15.667 -12.547 99 H ALA 14 H ALA 14 -3.011 -13.654 -12.023 100 HA ALA 14 HA ALA 14 -1.864 -15.955 -10.948 101 1HB ALA 14 1HB ALA 14 0.264 -14.951 -11.405 102 2HB ALA 14 2HB ALA 14 -0.449 -13.337 -11.416 103 3HB ALA 14 3HB ALA 14 -0.850 -14.484 -12.692 104 H ALA 15 H ALA 15 -2.243 -12.712 -9.546 105 HA ALA 15 HA ALA 15 -0.667 -13.061 -7.284 106 1HB ALA 15 1HB ALA 15 -1.444 -11.047 -6.721 107 2HB ALA 15 2HB ALA 15 -3.104 -11.632 -6.649 108 3HB ALA 15 3HB ALA 15 -2.419 -11.103 -8.192 109 H ALA 16 H ALA 16 -3.797 -14.282 -8.124 110 HA ALA 16 HA ALA 16 -4.468 -15.315 -5.520 111 1HB ALA 16 1HB ALA 16 -6.175 -14.845 -7.260 112 2HB ALA 16 2HB ALA 16 -6.231 -16.513 -6.700 113 3HB ALA 16 3HB ALA 16 -5.473 -16.126 -8.248 114 H ASN 17 H ASN 17 -3.083 -16.509 -8.496 115 HA ASN 17 HA ASN 17 -2.911 -19.202 -7.957 116 1HB ASN 17 2HB ASN 17 -1.286 -17.341 -9.659 117 2HB ASN 17 1HB ASN 17 -0.845 -19.040 -9.527 118 1HD2 ASN 17 1HD2 ASN 17 -3.686 -17.010 -10.107 119 2HD2 ASN 17 2HD2 ASN 17 -4.337 -17.999 -11.369 120 H LYS 18 H LYS 18 -0.411 -16.705 -7.306 121 HA LYS 18 HA LYS 18 1.491 -18.436 -6.245 122 1HB LYS 18 2HB LYS 18 2.428 -16.492 -5.076 123 2HB LYS 18 1HB LYS 18 2.012 -16.102 -6.738 124 1HG LYS 18 2HG LYS 18 1.206 -14.263 -5.663 125 2HG LYS 18 1HG LYS 18 -0.226 -15.290 -5.659 126 1HD LYS 18 2HD LYS 18 -0.213 -14.685 -3.463 127 2HD LYS 18 1HD LYS 18 0.829 -16.102 -3.359 128 1HE LYS 18 2HE LYS 18 1.589 -13.203 -3.363 129 2HE LYS 18 1HE LYS 18 1.926 -14.427 -2.142 130 1HZ LYS 18 1HZ LYS 18 3.090 -14.366 -4.876 131 2HZ LYS 18 2HZ LYS 18 3.433 -15.508 -3.676 132 3HZ LYS 18 3HZ LYS 18 3.889 -13.894 -3.461 133 H VAL 19 H VAL 19 -1.377 -17.024 -4.809 134 HA VAL 19 HA VAL 19 -0.783 -17.820 -2.137 135 HB VAL 19 HB VAL 19 -3.475 -17.233 -3.367 136 1HG1 VAL 19 1HG1 VAL 19 -2.640 -17.998 -0.703 137 2HG1 VAL 19 2HG1 VAL 19 -4.259 -17.883 -1.385 138 3HG1 VAL 19 3HG1 VAL 19 -3.485 -16.450 -0.704 139 1HG2 VAL 19 1HG2 VAL 19 -1.936 -15.375 -3.683 140 2HG2 VAL 19 2HG2 VAL 19 -1.564 -15.371 -1.961 141 3HG2 VAL 19 3HG2 VAL 19 -3.188 -14.964 -2.516 142 H LYS 20 H LYS 20 -3.418 -18.972 -4.207 143 HA LYS 20 HA LYS 20 -3.997 -21.282 -2.832 144 1HB LYS 20 2HB LYS 20 -4.929 -22.086 -5.043 145 2HB LYS 20 1HB LYS 20 -5.553 -20.561 -4.437 146 1HG LYS 20 2HG LYS 20 -5.114 -19.727 -6.440 147 2HG LYS 20 1HG LYS 20 -3.407 -19.804 -5.992 148 1HD LYS 20 2HD LYS 20 -3.924 -20.873 -8.185 149 2HD LYS 20 1HD LYS 20 -3.183 -21.972 -7.021 150 1HE LYS 20 2HE LYS 20 -5.170 -23.113 -6.648 151 2HE LYS 20 1HE LYS 20 -6.160 -21.798 -7.274 152 1HZ LYS 20 1HZ LYS 20 -4.311 -22.969 -9.174 153 2HZ LYS 20 2HZ LYS 20 -5.924 -22.505 -9.378 154 3HZ LYS 20 3HZ LYS 20 -5.556 -23.999 -8.664 155 H SER 21 H SER 21 -1.297 -20.677 -4.872 156 HA SER 21 HA SER 21 -0.907 -23.458 -5.493 157 1HB SER 21 2HB SER 21 -0.319 -21.794 -7.172 158 2HB SER 21 1HB SER 21 0.849 -21.070 -6.067 159 HG SER 21 HG SER 21 0.978 -23.482 -7.470 160 H LEU 22 H LEU 22 0.745 -21.040 -3.484 161 HA LEU 22 HA LEU 22 2.594 -23.055 -2.559 162 1HB LEU 22 2HB LEU 22 3.919 -21.380 -1.893 163 2HB LEU 22 1HB LEU 22 2.878 -20.405 -2.901 164 HG LEU 22 HG LEU 22 3.345 -19.319 -0.780 165 1HD1 LEU 22 1HD1 LEU 22 1.322 -18.640 -1.667 166 2HD1 LEU 22 2HD1 LEU 22 0.921 -19.072 -0.008 167 3HD1 LEU 22 3HD1 LEU 22 0.541 -20.175 -1.324 168 1HD2 LEU 22 1HD2 LEU 22 3.174 -20.256 1.252 169 2HD2 LEU 22 2HD2 LEU 22 3.280 -21.772 0.357 170 3HD2 LEU 22 3HD2 LEU 22 1.701 -21.140 0.838 171 H ILE 23 H ILE 23 -0.408 -21.678 -1.542 172 HA ILE 23 HA ILE 23 -0.177 -22.433 1.187 173 HB ILE 23 HB ILE 23 -2.605 -22.083 1.282 174 1HG1 ILE 23 2HG1 ILE 23 -3.305 -20.834 -1.008 175 2HG1 ILE 23 1HG1 ILE 23 -2.241 -22.087 -1.644 176 1HG2 ILE 23 1HG2 ILE 23 -0.637 -20.114 0.359 177 2HG2 ILE 23 2HG2 ILE 23 -1.693 -20.081 1.766 178 3HG2 ILE 23 3HG2 ILE 23 -2.317 -19.628 0.179 179 1HD1 ILE 23 1HD1 ILE 23 -3.871 -23.559 -1.488 180 2HD1 ILE 23 2HD1 ILE 23 -4.945 -22.308 -0.868 181 3HD1 ILE 23 3HD1 ILE 23 -3.985 -23.280 0.247 182 H SER 24 H SER 24 -1.798 -23.776 -1.648 183 HA SER 24 HA SER 24 -2.817 -26.085 -0.447 184 1HB SER 24 2HB SER 24 -2.136 -25.288 -3.255 185 2HB SER 24 1HB SER 24 -2.532 -26.969 -2.913 186 HG SER 24 HG SER 24 -4.215 -25.020 -3.324 187 H GLU 25 H GLU 25 0.325 -25.125 -1.415 188 HA GLU 25 HA GLU 25 1.439 -27.772 -1.479 189 1HB GLU 25 2HB GLU 25 2.231 -25.187 -2.359 190 2HB GLU 25 1HB GLU 25 3.453 -25.752 -1.216 191 1HG GLU 25 2HG GLU 25 3.632 -27.844 -2.537 192 2HG GLU 25 1HG GLU 25 2.516 -27.148 -3.718 193 H GLU 26 H GLU 26 0.747 -25.360 0.869 194 HA GLU 26 HA GLU 26 2.752 -26.225 2.746 195 1HB GLU 26 2HB GLU 26 0.341 -24.476 3.144 196 2HB GLU 26 1HB GLU 26 1.638 -24.702 4.308 197 1HG GLU 26 2HG GLU 26 2.722 -23.897 1.785 198 2HG GLU 26 1HG GLU 26 1.447 -22.780 2.267 199 H GLU 27 H GLU 27 -0.341 -27.191 1.763 200 HA GLU 27 HA GLU 27 -1.538 -29.058 2.353 201 1HB GLU 27 2HB GLU 27 0.734 -29.858 3.353 202 2HB GLU 27 1HB GLU 27 0.038 -29.375 4.891 203 1HG GLU 27 2HG GLU 27 -0.768 -31.449 4.969 204 2HG GLU 27 1HG GLU 27 -1.972 -30.872 3.810 205 H ASN 28 H ASN 28 -1.490 -26.141 3.551 206 HA ASN 28 HA ASN 28 -2.745 -26.210 6.047 207 1HB ASN 28 2HB ASN 28 -3.734 -24.178 4.104 208 2HB ASN 28 1HB ASN 28 -3.226 -23.973 5.770 209 1HD2 ASN 28 1HD2 ASN 28 -2.467 -23.502 2.591 210 2HD2 ASN 28 2HD2 ASN 28 -0.812 -23.068 2.778 211 H THR 29 H THR 29 -4.398 -25.532 2.977 212 HA THR 29 HA THR 29 -6.248 -27.499 2.830 213 HB THR 29 HB THR 29 -7.049 -27.289 5.025 214 HG1 THR 29 1HG THR 29 -9.140 -26.435 4.783 215 1HG2 THR 29 1HG2 THR 29 -6.069 -24.709 4.930 216 2HG2 THR 29 2HG2 THR 29 -6.900 -25.474 6.289 217 3HG2 THR 29 3HG2 THR 29 -7.816 -24.514 5.120 218 H ASP 30 H ASP 30 -6.241 -23.954 3.090 219 HA ASP 30 HA ASP 30 -6.678 -23.344 0.443 220 1HB ASP 30 2HB ASP 30 -9.129 -24.197 1.835 221 2HB ASP 30 1HB ASP 30 -9.261 -22.619 1.060 222 H LEU 31 H LEU 31 -5.116 -22.121 1.756 223 HA LEU 31 HA LEU 31 -5.764 -20.281 3.698 224 1HB LEU 31 2HB LEU 31 -3.555 -21.004 2.107 225 2HB LEU 31 1HB LEU 31 -3.662 -19.265 2.081 226 HG LEU 31 HG LEU 31 -2.208 -19.890 3.857 227 1HD1 LEU 31 1HD1 LEU 31 -3.229 -18.811 5.680 228 2HD1 LEU 31 2HD1 LEU 31 -4.841 -19.330 5.178 229 3HD1 LEU 31 3HD1 LEU 31 -3.971 -18.123 4.242 230 1HD2 LEU 31 1HD2 LEU 31 -3.815 -22.170 4.011 231 2HD2 LEU 31 2HD2 LEU 31 -4.010 -21.349 5.561 232 3HD2 LEU 31 3HD2 LEU 31 -2.399 -21.780 4.995 233 H LYS 32 H LYS 32 -5.819 -18.025 3.652 234 HA LYS 32 HA LYS 32 -7.012 -16.873 1.221 235 1HB LYS 32 2HB LYS 32 -7.568 -16.209 4.122 236 2HB LYS 32 1HB LYS 32 -8.260 -15.364 2.750 237 1HG LYS 32 2HG LYS 32 -9.731 -17.027 2.289 238 2HG LYS 32 1HG LYS 32 -8.648 -18.295 2.866 239 1HD LYS 32 2HD LYS 32 -10.648 -17.968 4.297 240 2HD LYS 32 1HD LYS 32 -9.126 -17.743 5.156 241 1HE LYS 32 2HE LYS 32 -9.523 -15.220 4.442 242 2HE LYS 32 1HE LYS 32 -11.201 -15.753 4.405 243 1HZ LYS 32 1HZ LYS 32 -10.877 -16.580 6.699 244 2HZ LYS 32 2HZ LYS 32 -10.726 -14.902 6.559 245 3HZ LYS 32 3HZ LYS 32 -9.344 -15.867 6.712 246 H LEU 33 H LEU 33 -5.777 -15.318 0.328 247 HA LEU 33 HA LEU 33 -3.369 -14.451 1.419 248 1HB LEU 33 2HB LEU 33 -4.207 -14.390 -1.003 249 2HB LEU 33 1HB LEU 33 -4.986 -12.883 -0.573 250 HG LEU 33 HG LEU 33 -2.759 -12.691 -1.735 251 1HD1 LEU 33 1HD1 LEU 33 -3.713 -11.297 0.628 252 2HD1 LEU 33 2HD1 LEU 33 -3.099 -10.663 -0.889 253 3HD1 LEU 33 3HD1 LEU 33 -1.977 -11.133 0.386 254 1HD2 LEU 33 1HD2 LEU 33 -0.898 -13.588 -0.904 255 2HD2 LEU 33 2HD2 LEU 33 -1.941 -14.517 0.172 256 3HD2 LEU 33 3HD2 LEU 33 -1.245 -12.992 0.719 257 H ARG 34 H ARG 34 -2.739 -12.575 2.456 258 HA ARG 34 HA ARG 34 -4.823 -10.704 3.264 259 1HB ARG 34 2HB ARG 34 -4.698 -12.290 5.100 260 2HB ARG 34 1HB ARG 34 -2.952 -12.090 5.184 261 1HG ARG 34 2HG ARG 34 -4.380 -9.571 5.434 262 2HG ARG 34 1HG ARG 34 -4.820 -10.738 6.682 263 1HD ARG 34 2HD ARG 34 -2.783 -10.667 7.652 264 2HD ARG 34 1HD ARG 34 -1.940 -10.506 6.112 265 HE ARG 34 HE ARG 34 -3.134 -8.104 6.397 266 1HH1 ARG 34 1HH1 ARG 34 -1.108 -10.007 8.508 267 2HH1 ARG 34 2HH1 ARG 34 -0.427 -8.625 9.297 268 1HH2 ARG 34 1HH2 ARG 34 -2.237 -6.289 7.442 269 2HH2 ARG 34 2HH2 ARG 34 -1.066 -6.518 8.698 270 H VAL 35 H VAL 35 -4.012 -9.088 2.072 271 HA VAL 35 HA VAL 35 -1.253 -8.474 1.862 272 HB VAL 35 HB VAL 35 -3.505 -6.579 1.302 273 1HG1 VAL 35 1HG1 VAL 35 -1.918 -5.852 -0.512 274 2HG1 VAL 35 2HG1 VAL 35 -0.703 -6.877 0.251 275 3HG1 VAL 35 3HG1 VAL 35 -1.391 -5.516 1.137 276 1HG2 VAL 35 1HG2 VAL 35 -4.191 -8.481 0.167 277 2HG2 VAL 35 2HG2 VAL 35 -2.544 -8.925 -0.282 278 3HG2 VAL 35 3HG2 VAL 35 -3.330 -7.543 -1.050 279 H TYR 36 H TYR 36 -0.189 -6.624 2.469 280 HA TYR 36 HA TYR 36 -1.257 -4.992 4.631 281 1HB TYR 36 2HB TYR 36 1.237 -5.280 5.599 282 2HB TYR 36 1HB TYR 36 -0.106 -6.286 6.126 283 HD1 TYR 36 1HD TYR 36 3.185 -6.305 4.910 284 HD2 TYR 36 2HD TYR 36 -0.467 -8.474 4.703 285 HE1 TYR 36 1HE TYR 36 4.426 -8.312 4.212 286 HE2 TYR 36 2HE TYR 36 0.759 -10.486 4.004 287 HH TYR 36 HH TYR 36 4.162 -10.726 4.195 288 H ILE 37 H ILE 37 0.419 -3.151 5.066 289 HA ILE 37 HA ILE 37 0.968 -2.009 2.491 290 HB ILE 37 HB ILE 37 1.238 -0.991 5.299 291 1HG1 ILE 37 2HG1 ILE 37 -0.980 -0.921 4.313 292 2HG1 ILE 37 1HG1 ILE 37 -0.343 0.722 4.426 293 1HG2 ILE 37 1HG2 ILE 37 2.574 0.031 2.864 294 2HG2 ILE 37 2HG2 ILE 37 3.049 0.160 4.560 295 3HG2 ILE 37 3HG2 ILE 37 1.795 1.221 3.911 296 1HD1 ILE 37 1HD1 ILE 37 -1.152 0.809 2.324 297 2HD1 ILE 37 2HD1 ILE 37 -0.958 -0.922 2.053 298 3HD1 ILE 37 3HD1 ILE 37 0.440 0.149 1.951 299 H THR 38 H THR 38 2.725 -2.307 1.360 300 HA THR 38 HA THR 38 5.343 -2.214 2.554 301 HB THR 38 HB THR 38 4.580 -4.721 1.060 302 HG1 THR 38 1HG THR 38 4.376 -5.728 2.989 303 1HG2 THR 38 1HG2 THR 38 7.043 -3.797 2.453 304 2HG2 THR 38 2HG2 THR 38 6.860 -4.582 0.884 305 3HG2 THR 38 3HG2 THR 38 6.665 -5.518 2.367 306 H GLY 39 H GLY 39 4.019 -0.580 0.697 307 1HA GLY 39 2HA GLY 39 4.589 -1.187 -1.992 308 2HA GLY 39 1HA GLY 39 4.320 0.425 -1.344 309 H GLY 40 H GLY 40 5.896 1.524 -2.386 310 1HA GLY 40 2HA GLY 40 8.635 0.490 -2.305 311 2HA GLY 40 1HA GLY 40 8.062 1.843 -3.277 312 H GLY 41 H GLY 41 7.256 1.590 0.104 313 1HA GLY 41 2HA GLY 41 8.054 2.720 1.959 314 2HA GLY 41 1HA GLY 41 9.450 3.212 1.013 315 H CYS 42 H CYS 42 9.031 4.941 -0.632 316 HA CYS 42 HA CYS 42 7.817 7.171 0.638 317 1HB CYS 42 2HB CYS 42 8.833 6.840 -2.193 318 2HB CYS 42 1HB CYS 42 8.372 8.375 -1.464 319 HG CYS 42 HG CYS 42 10.423 7.516 0.320 320 H SER 43 H SER 43 6.751 4.863 -1.742 321 HA SER 43 HA SER 43 4.129 6.196 -1.788 322 1HB SER 43 2HB SER 43 5.509 6.465 -3.938 323 2HB SER 43 1HB SER 43 5.239 4.739 -4.184 324 HG SER 43 HG SER 43 3.621 5.871 -5.230 325 H GLY 44 H GLY 44 2.515 4.516 -2.928 326 1HA GLY 44 2HA GLY 44 3.013 1.862 -1.738 327 2HA GLY 44 1HA GLY 44 1.493 2.702 -1.465 328 H PHE 45 H PHE 45 3.225 0.621 -3.514 329 HA PHE 45 HA PHE 45 0.911 0.431 -5.278 330 1HB PHE 45 2HB PHE 45 2.209 0.532 -7.309 331 2HB PHE 45 1HB PHE 45 2.518 1.996 -6.369 332 HD1 PHE 45 1HD PHE 45 4.542 1.487 -4.553 333 HD2 PHE 45 2HD PHE 45 4.048 -0.252 -8.403 334 HE1 PHE 45 1HE PHE 45 6.942 1.009 -4.636 335 HE2 PHE 45 2HE PHE 45 6.461 -0.727 -8.500 336 HZ PHE 45 HZ PHE 45 7.915 -0.094 -6.614 337 H GLN 46 H GLN 46 2.971 -1.157 -3.306 338 HA GLN 46 HA GLN 46 2.865 -3.600 -4.946 339 1HB GLN 46 2HB GLN 46 4.816 -2.951 -2.741 340 2HB GLN 46 1HB GLN 46 4.796 -4.419 -3.708 341 1HG GLN 46 2HG GLN 46 5.531 -3.329 -5.612 342 2HG GLN 46 1HG GLN 46 5.066 -1.739 -5.002 343 1HE2 GLN 46 1HE2 GLN 46 7.050 -4.451 -3.928 344 2HE2 GLN 46 2HE2 GLN 46 8.424 -3.503 -3.464 345 H TYR 47 H TYR 47 3.324 -2.978 -1.470 346 HA TYR 47 HA TYR 47 2.143 -3.679 0.352 347 1HB TYR 47 2HB TYR 47 0.064 -4.846 -1.490 348 2HB TYR 47 1HB TYR 47 -0.129 -4.336 0.184 349 HD1 TYR 47 1HD TYR 47 0.163 -1.838 0.689 350 HD2 TYR 47 2HD TYR 47 -0.437 -3.374 -3.230 351 HE1 TYR 47 1HE TYR 47 -0.579 0.384 -0.057 352 HE2 TYR 47 2HE TYR 47 -1.182 -1.155 -3.991 353 HH TYR 47 HH TYR 47 -0.620 1.619 -2.394 354 H GLY 48 H GLY 48 2.636 -5.364 1.570 355 1HA GLY 48 2HA GLY 48 3.731 -7.726 0.334 356 2HA GLY 48 1HA GLY 48 3.665 -7.385 2.055 357 H PHE 49 H PHE 49 2.864 -9.679 0.108 358 HA PHE 49 HA PHE 49 0.125 -10.086 1.065 359 1HB PHE 49 2HB PHE 49 1.676 -11.082 -1.283 360 2HB PHE 49 1HB PHE 49 0.336 -12.046 -0.674 361 HD1 PHE 49 1HD PHE 49 0.575 -8.366 -0.739 362 HD2 PHE 49 2HD PHE 49 -1.200 -11.843 -2.412 363 HE1 PHE 49 1HE PHE 49 -1.004 -6.950 -1.961 364 HE2 PHE 49 2HE PHE 49 -2.804 -10.445 -3.639 365 HZ PHE 49 HZ PHE 49 -2.705 -7.987 -3.424 366 H THR 50 H THR 50 -0.423 -11.695 2.378 367 HA THR 50 HA THR 50 1.542 -13.810 2.950 368 HB THR 50 HB THR 50 1.477 -12.031 4.775 369 HG1 THR 50 1HG THR 50 1.737 -13.554 6.287 370 1HG2 THR 50 1HG2 THR 50 -0.327 -11.644 6.065 371 2HG2 THR 50 2HG2 THR 50 -0.962 -13.279 5.865 372 3HG2 THR 50 3HG2 THR 50 -1.178 -12.085 4.584 373 H PHE 51 H PHE 51 0.453 -15.729 4.028 374 HA PHE 51 HA PHE 51 -2.216 -16.058 2.874 375 1HB PHE 51 2HB PHE 51 -0.365 -18.318 3.620 376 2HB PHE 51 1HB PHE 51 -1.711 -18.323 2.478 377 HD1 PHE 51 1HD PHE 51 -1.507 -16.882 0.396 378 HD2 PHE 51 2HD PHE 51 1.799 -17.883 2.874 379 HE1 PHE 51 1HE PHE 51 0.041 -16.252 -1.415 380 HE2 PHE 51 2HE PHE 51 3.354 -17.272 1.070 381 HZ PHE 51 HZ PHE 51 2.475 -16.447 -1.078 382 H ASP 52 H ASP 52 -3.479 -15.409 4.448 383 HA ASP 52 HA ASP 52 -3.292 -16.774 7.046 384 1HB ASP 52 2HB ASP 52 -2.751 -14.424 7.269 385 2HB ASP 52 1HB ASP 52 -4.215 -13.974 6.411 386 H GLU 53 H GLU 53 -4.763 -18.300 7.063 387 HA GLU 53 HA GLU 53 -7.205 -18.168 5.599 388 1HB GLU 53 2HB GLU 53 -5.663 -20.169 6.798 389 2HB GLU 53 1HB GLU 53 -7.208 -20.205 7.639 390 1HG GLU 53 2HG GLU 53 -7.618 -19.975 4.812 391 2HG GLU 53 1HG GLU 53 -6.579 -21.347 5.171 392 H LYS 54 H LYS 54 -6.340 -17.358 8.889 393 HA LYS 54 HA LYS 54 -8.771 -17.673 10.157 394 1HB LYS 54 2HB LYS 54 -7.994 -15.406 11.387 395 2HB LYS 54 1HB LYS 54 -7.359 -16.995 11.763 396 1HG LYS 54 2HG LYS 54 -5.661 -16.240 9.812 397 2HG LYS 54 1HG LYS 54 -6.056 -14.683 10.534 398 1HD LYS 54 2HD LYS 54 -4.622 -15.118 12.167 399 2HD LYS 54 1HD LYS 54 -5.641 -16.469 12.667 400 1HE LYS 54 2HE LYS 54 -4.375 -18.023 11.525 401 2HE LYS 54 1HE LYS 54 -3.716 -16.825 10.414 402 1HZ LYS 54 1HZ LYS 54 -2.888 -17.463 13.164 403 2HZ LYS 54 2HZ LYS 54 -2.635 -15.899 12.573 404 3HZ LYS 54 3HZ LYS 54 -1.936 -17.223 11.786 405 H VAL 55 H VAL 55 -7.918 -14.287 9.589 406 HA VAL 55 HA VAL 55 -9.667 -13.585 7.616 407 HB VAL 55 HB VAL 55 -11.479 -14.600 8.921 408 1HG1 VAL 55 1HG1 VAL 55 -10.561 -14.164 11.168 409 2HG1 VAL 55 2HG1 VAL 55 -12.244 -13.676 11.002 410 3HG1 VAL 55 3HG1 VAL 55 -10.972 -12.460 10.973 411 1HG2 VAL 55 1HG2 VAL 55 -13.042 -12.712 8.840 412 2HG2 VAL 55 2HG2 VAL 55 -12.006 -12.777 7.417 413 3HG2 VAL 55 3HG2 VAL 55 -11.679 -11.608 8.695 414 H ASN 56 H ASN 56 -8.069 -12.723 10.535 415 HA ASN 56 HA ASN 56 -7.183 -10.783 11.294 416 1HB ASN 56 2HB ASN 56 -7.548 -10.126 8.378 417 2HB ASN 56 1HB ASN 56 -6.854 -8.970 9.512 418 1HD2 ASN 56 1HD2 ASN 56 -6.546 -12.424 8.802 419 2HD2 ASN 56 2HD2 ASN 56 -4.822 -12.430 8.788 420 H ASP 57 H ASP 57 -9.027 -10.447 12.662 421 HA ASP 57 HA ASP 57 -11.389 -9.184 11.995 422 1HB ASP 57 2HB ASP 57 -9.888 -8.584 14.541 423 2HB ASP 57 1HB ASP 57 -11.630 -8.544 14.283 424 H GLY 58 H GLY 58 -11.871 -7.236 11.222 425 1HA GLY 58 2HA GLY 58 -11.716 -4.931 10.891 426 2HA GLY 58 1HA GLY 58 -10.250 -4.921 11.871 427 H ASP 59 H ASP 59 -10.986 -6.921 9.073 428 HA ASP 59 HA ASP 59 -9.125 -5.413 7.403 429 1HB ASP 59 2HB ASP 59 -8.511 -8.114 8.471 430 2HB ASP 59 1HB ASP 59 -8.317 -7.949 6.735 431 H LEU 60 H LEU 60 -10.176 -5.007 5.596 432 HA LEU 60 HA LEU 60 -12.561 -6.276 4.842 433 1HB LEU 60 2HB LEU 60 -10.736 -4.830 2.933 434 2HB LEU 60 1HB LEU 60 -12.478 -4.993 2.845 435 HG LEU 60 HG LEU 60 -10.835 -3.096 4.419 436 1HD1 LEU 60 1HD1 LEU 60 -11.939 -2.164 2.589 437 2HD1 LEU 60 2HD1 LEU 60 -12.952 -1.734 3.969 438 3HD1 LEU 60 3HD1 LEU 60 -13.424 -3.063 2.911 439 1HD2 LEU 60 1HD2 LEU 60 -12.966 -2.768 5.871 440 2HD2 LEU 60 2HD2 LEU 60 -11.784 -3.989 6.332 441 3HD2 LEU 60 3HD2 LEU 60 -13.262 -4.467 5.500 442 H THR 61 H THR 61 -12.962 -7.579 2.862 443 HA THR 61 HA THR 61 -10.639 -9.135 2.040 444 HB THR 61 HB THR 61 -11.375 -11.162 2.766 445 HG1 THR 61 1HG THR 61 -13.590 -11.635 3.099 446 1HG2 THR 61 1HG2 THR 61 -12.085 -11.101 4.975 447 2HG2 THR 61 2HG2 THR 61 -13.015 -9.620 4.736 448 3HG2 THR 61 3HG2 THR 61 -11.250 -9.566 4.750 449 H ILE 62 H ILE 62 -10.556 -9.658 0.020 450 HA ILE 62 HA ILE 62 -12.962 -9.471 -1.671 451 HB ILE 62 HB ILE 62 -10.906 -9.219 -3.438 452 1HG1 ILE 62 2HG1 ILE 62 -9.310 -9.056 -1.477 453 2HG1 ILE 62 1HG1 ILE 62 -9.222 -7.738 -2.638 454 1HG2 ILE 62 1HG2 ILE 62 -13.010 -7.648 -2.471 455 2HG2 ILE 62 2HG2 ILE 62 -12.112 -7.456 -3.976 456 3HG2 ILE 62 3HG2 ILE 62 -11.594 -6.599 -2.527 457 1HD1 ILE 62 1HD1 ILE 62 -9.421 -6.336 -0.940 458 2HD1 ILE 62 2HD1 ILE 62 -9.738 -7.660 0.180 459 3HD1 ILE 62 3HD1 ILE 62 -11.069 -6.916 -0.707 460 H GLU 63 H GLU 63 -13.476 -11.418 -2.637 461 HA GLU 63 HA GLU 63 -12.012 -13.744 -2.106 462 1HB GLU 63 2HB GLU 63 -14.451 -13.525 -2.825 463 2HB GLU 63 1HB GLU 63 -13.840 -13.439 -4.471 464 1HG GLU 63 2HG GLU 63 -13.621 -15.636 -4.579 465 2HG GLU 63 1HG GLU 63 -12.683 -15.675 -3.088 466 H LYS 64 H LYS 64 -10.784 -15.115 -3.499 467 HA LYS 64 HA LYS 64 -9.414 -13.625 -5.632 468 1HB LYS 64 2HB LYS 64 -8.311 -15.802 -3.844 469 2HB LYS 64 1HB LYS 64 -7.439 -15.047 -5.178 470 1HG LYS 64 2HG LYS 64 -7.745 -12.852 -3.999 471 2HG LYS 64 1HG LYS 64 -8.368 -13.755 -2.624 472 1HD LYS 64 2HD LYS 64 -6.140 -13.483 -2.064 473 2HD LYS 64 1HD LYS 64 -6.132 -15.076 -2.807 474 1HE LYS 64 2HE LYS 64 -4.366 -14.155 -3.904 475 2HE LYS 64 1HE LYS 64 -5.659 -13.651 -4.989 476 1HZ LYS 64 1HZ LYS 64 -5.664 -11.498 -4.052 477 2HZ LYS 64 2HZ LYS 64 -4.040 -11.878 -4.340 478 3HZ LYS 64 3HZ LYS 64 -4.662 -11.961 -2.770 479 H SER 65 H SER 65 -8.300 -15.128 -7.218 480 HA SER 65 HA SER 65 -10.144 -16.435 -8.766 481 1HB SER 65 2HB SER 65 -7.452 -15.852 -8.950 482 2HB SER 65 1HB SER 65 -7.483 -17.618 -8.996 483 HG SER 65 HG SER 65 -9.201 -17.291 -10.646 484 H GLY 66 H GLY 66 -8.027 -17.837 -6.303 485 1HA GLY 66 2HA GLY 66 -9.690 -20.268 -6.419 486 2HA GLY 66 1HA GLY 66 -7.938 -20.378 -6.358 487 H VAL 67 H VAL 67 -9.011 -17.773 -4.527 488 HA VAL 67 HA VAL 67 -9.574 -19.267 -2.109 489 HB VAL 67 HB VAL 67 -7.713 -18.487 -0.822 490 1HG1 VAL 67 1HG1 VAL 67 -7.410 -20.547 -2.155 491 2HG1 VAL 67 2HG1 VAL 67 -5.895 -19.701 -1.820 492 3HG1 VAL 67 3HG1 VAL 67 -6.642 -19.572 -3.412 493 1HG2 VAL 67 1HG2 VAL 67 -6.024 -17.044 -1.576 494 2HG2 VAL 67 2HG2 VAL 67 -7.520 -16.312 -2.150 495 3HG2 VAL 67 3HG2 VAL 67 -6.504 -17.226 -3.262 496 H GLN 68 H GLN 68 -8.731 -16.972 -0.424 497 HA GLN 68 HA GLN 68 -10.534 -14.881 -1.393 498 1HB GLN 68 2HB GLN 68 -12.081 -15.355 0.120 499 2HB GLN 68 1HB GLN 68 -11.113 -16.693 0.707 500 1HG GLN 68 2HG GLN 68 -11.337 -15.554 2.615 501 2HG GLN 68 1HG GLN 68 -9.895 -14.744 2.028 502 1HE2 GLN 68 1HE2 GLN 68 -11.276 -13.232 0.001 503 2HE2 GLN 68 2HE2 GLN 68 -12.169 -12.007 0.819 504 H LEU 69 H LEU 69 -9.752 -12.878 -1.164 505 HA LEU 69 HA LEU 69 -7.195 -12.572 0.219 506 1HB LEU 69 2HB LEU 69 -7.186 -11.829 -2.045 507 2HB LEU 69 1HB LEU 69 -8.639 -10.888 -1.811 508 HG LEU 69 HG LEU 69 -7.514 -9.180 -0.688 509 1HD1 LEU 69 1HD1 LEU 69 -6.060 -9.717 0.907 510 2HD1 LEU 69 2HD1 LEU 69 -4.860 -9.951 -0.361 511 3HD1 LEU 69 3HD1 LEU 69 -5.803 -11.316 0.214 512 1HD2 LEU 69 1HD2 LEU 69 -5.797 -8.511 -2.172 513 2HD2 LEU 69 2HD2 LEU 69 -6.942 -9.460 -3.123 514 3HD2 LEU 69 3HD2 LEU 69 -5.427 -10.184 -2.585 515 H VAL 70 H VAL 70 -6.869 -11.215 1.926 516 HA VAL 70 HA VAL 70 -9.038 -9.462 2.780 517 HB VAL 70 HB VAL 70 -9.471 -10.433 4.767 518 1HG1 VAL 70 1HG1 VAL 70 -8.373 -12.604 3.063 519 2HG1 VAL 70 2HG1 VAL 70 -10.020 -12.333 3.635 520 3HG1 VAL 70 3HG1 VAL 70 -8.798 -12.977 4.731 521 1HG2 VAL 70 1HG2 VAL 70 -7.822 -11.569 6.202 522 2HG2 VAL 70 2HG2 VAL 70 -7.318 -9.939 5.758 523 3HG2 VAL 70 3HG2 VAL 70 -6.600 -11.334 4.955 524 H ILE 71 H ILE 71 -8.137 -7.485 2.871 525 HA ILE 71 HA ILE 71 -5.335 -7.324 3.747 526 HB ILE 71 HB ILE 71 -4.972 -5.450 2.425 527 1HG1 ILE 71 2HG1 ILE 71 -6.947 -4.150 3.079 528 2HG1 ILE 71 1HG1 ILE 71 -6.724 -4.130 1.335 529 1HG2 ILE 71 1HG2 ILE 71 -5.687 -7.731 1.261 530 2HG2 ILE 71 2HG2 ILE 71 -5.204 -6.305 0.341 531 3HG2 ILE 71 3HG2 ILE 71 -6.913 -6.676 0.559 532 1HD1 ILE 71 1HD1 ILE 71 -8.962 -4.497 1.443 533 2HD1 ILE 71 2HD1 ILE 71 -8.856 -5.387 2.962 534 3HD1 ILE 71 3HD1 ILE 71 -8.391 -6.166 1.450 535 H ASP 72 H ASP 72 -4.794 -5.052 4.630 536 HA ASP 72 HA ASP 72 -6.533 -4.658 6.942 537 1HB ASP 72 2HB ASP 72 -4.162 -5.081 7.350 538 2HB ASP 72 1HB ASP 72 -3.739 -3.676 6.372 539 HA PRO 73 HA PRO 73 -8.506 -0.900 5.762 540 1HB PRO 73 2HB PRO 73 -7.553 0.028 8.440 541 2HB PRO 73 1HB PRO 73 -9.159 0.157 7.710 542 1HG PRO 73 2HG PRO 73 -8.673 -1.697 9.545 543 2HG PRO 73 1HG PRO 73 -9.675 -2.069 8.130 544 1HD PRO 73 2HD PRO 73 -6.880 -2.872 8.736 545 2HD PRO 73 1HD PRO 73 -8.129 -3.741 7.828 546 H MET 74 H MET 74 -5.312 -0.656 7.309 547 HA MET 74 HA MET 74 -4.710 1.941 6.543 548 1HB MET 74 2HB MET 74 -3.116 1.243 7.999 549 2HB MET 74 1HB MET 74 -3.210 -0.421 7.456 550 1HG MET 74 2HG MET 74 -1.510 -0.190 6.010 551 2HG MET 74 1HG MET 74 -1.931 1.469 5.586 552 1HE MET 74 1HE MET 74 -0.615 3.405 8.723 553 2HE MET 74 2HE MET 74 -2.149 3.027 7.939 554 3HE MET 74 3HE MET 74 -0.814 3.684 6.993 555 H SER 75 H SER 75 -4.275 -1.112 4.848 556 HA SER 75 HA SER 75 -3.098 0.120 2.542 557 1HB SER 75 2HB SER 75 -2.935 -2.369 3.377 558 2HB SER 75 1HB SER 75 -4.422 -2.571 2.451 559 HG SER 75 HG SER 75 -2.308 -2.923 1.345 560 H LEU 76 H LEU 76 -6.307 -0.757 3.621 561 HA LEU 76 HA LEU 76 -7.805 -0.833 1.363 562 1HB LEU 76 2HB LEU 76 -9.197 -1.116 3.080 563 2HB LEU 76 1HB LEU 76 -8.269 -0.071 4.128 564 HG LEU 76 HG LEU 76 -10.099 1.064 2.028 565 1HD1 LEU 76 1HD1 LEU 76 -11.514 -0.346 3.297 566 2HD1 LEU 76 2HD1 LEU 76 -11.728 1.289 3.928 567 3HD1 LEU 76 3HD1 LEU 76 -10.723 0.128 4.799 568 1HD2 LEU 76 1HD2 LEU 76 -10.072 2.663 4.274 569 2HD2 LEU 76 2HD2 LEU 76 -9.131 2.924 2.807 570 3HD2 LEU 76 3HD2 LEU 76 -8.418 2.067 4.173 571 H GLN 77 H GLN 77 -6.700 2.121 2.970 572 HA GLN 77 HA GLN 77 -7.921 3.767 0.974 573 1HB GLN 77 2HB GLN 77 -7.674 5.454 2.416 574 2HB GLN 77 1HB GLN 77 -7.229 4.211 3.569 575 1HG GLN 77 2HG GLN 77 -4.914 5.030 2.079 576 2HG GLN 77 1HG GLN 77 -5.732 6.433 2.759 577 1HE2 GLN 77 1HE2 GLN 77 -5.431 3.129 3.941 578 2HE2 GLN 77 2HE2 GLN 77 -4.653 3.541 5.424 579 H TYR 78 H TYR 78 -4.918 2.171 1.330 580 HA TYR 78 HA TYR 78 -3.468 3.930 -0.431 581 1HB TYR 78 2HB TYR 78 -2.832 1.285 0.859 582 2HB TYR 78 1HB TYR 78 -1.761 2.015 -0.336 583 HD1 TYR 78 1HD TYR 78 -3.661 3.407 2.570 584 HD2 TYR 78 2HD TYR 78 0.115 2.841 0.702 585 HE1 TYR 78 1HE TYR 78 -2.588 4.695 4.365 586 HE2 TYR 78 2HE TYR 78 1.200 4.135 2.487 587 HH TYR 78 HH TYR 78 0.479 5.942 4.150 588 H LEU 79 H LEU 79 -5.014 0.770 -0.598 589 HA LEU 79 HA LEU 79 -4.263 0.480 -3.385 590 1HB LEU 79 2HB LEU 79 -5.111 -1.759 -3.279 591 2HB LEU 79 1HB LEU 79 -4.026 -1.445 -1.957 592 HG LEU 79 HG LEU 79 -6.400 -2.754 -1.775 593 1HD1 LEU 79 1HD1 LEU 79 -4.529 -1.468 0.080 594 2HD1 LEU 79 2HD1 LEU 79 -5.080 -3.143 -0.012 595 3HD1 LEU 79 3HD1 LEU 79 -6.095 -1.918 0.746 596 1HD2 LEU 79 1HD2 LEU 79 -7.917 -1.356 -0.461 597 2HD2 LEU 79 2HD2 LEU 79 -7.760 -0.779 -2.117 598 3HD2 LEU 79 3HD2 LEU 79 -6.913 0.048 -0.809 599 H ILE 80 H ILE 80 -6.940 1.673 -1.700 600 HA ILE 80 HA ILE 80 -9.262 1.197 -2.630 601 HB ILE 80 HB ILE 80 -9.895 3.471 -2.951 602 1HG1 ILE 80 2HG1 ILE 80 -8.229 4.153 -4.577 603 2HG1 ILE 80 1HG1 ILE 80 -8.219 5.275 -3.220 604 1HG2 ILE 80 1HG2 ILE 80 -9.342 2.901 -0.686 605 2HG2 ILE 80 2HG2 ILE 80 -8.837 4.559 -1.011 606 3HG2 ILE 80 3HG2 ILE 80 -7.641 3.265 -0.980 607 1HD1 ILE 80 1HD1 ILE 80 -6.269 4.055 -2.308 608 2HD1 ILE 80 2HD1 ILE 80 -5.968 4.814 -3.871 609 3HD1 ILE 80 3HD1 ILE 80 -6.252 3.079 -3.771 610 H GLY 81 H GLY 81 -10.263 0.534 -4.307 611 1HA GLY 81 2HA GLY 81 -10.549 -0.261 -6.459 612 2HA GLY 81 1HA GLY 81 -10.743 1.465 -6.714 613 H GLY 82 H GLY 82 -7.637 -0.088 -5.996 614 1HA GLY 82 2HA GLY 82 -6.622 0.977 -8.516 615 2HA GLY 82 1HA GLY 82 -5.662 0.244 -7.233 616 H THR 83 H THR 83 -4.537 -1.090 -8.713 617 HA THR 83 HA THR 83 -5.981 -3.519 -9.376 618 HB THR 83 HB THR 83 -4.652 -1.808 -11.469 619 HG1 THR 83 1HG THR 83 -6.678 -2.160 -12.502 620 1HG2 THR 83 1HG2 THR 83 -3.956 -3.636 -12.507 621 2HG2 THR 83 2HG2 THR 83 -5.655 -4.053 -12.738 622 3HG2 THR 83 3HG2 THR 83 -4.771 -4.687 -11.343 623 H VAL 84 H VAL 84 -4.752 -5.270 -9.004 624 HA VAL 84 HA VAL 84 -1.836 -4.875 -8.869 625 HB VAL 84 HB VAL 84 -1.798 -5.483 -6.744 626 1HG1 VAL 84 1HG1 VAL 84 -4.156 -4.599 -6.716 627 2HG1 VAL 84 2HG1 VAL 84 -3.697 -5.665 -5.393 628 3HG1 VAL 84 3HG1 VAL 84 -4.684 -6.282 -6.718 629 1HG2 VAL 84 1HG2 VAL 84 -2.515 -7.798 -6.062 630 2HG2 VAL 84 2HG2 VAL 84 -1.348 -7.702 -7.381 631 3HG2 VAL 84 3HG2 VAL 84 -3.043 -8.026 -7.728 632 H ASP 85 H ASP 85 -0.517 -6.641 -9.360 633 HA ASP 85 HA ASP 85 -1.714 -9.034 -10.435 634 1HB ASP 85 2HB ASP 85 -0.229 -8.708 -12.571 635 2HB ASP 85 1HB ASP 85 -1.825 -7.963 -12.484 636 H TYR 86 H TYR 86 -0.333 -10.773 -10.440 637 HA TYR 86 HA TYR 86 2.346 -10.265 -9.338 638 1HB TYR 86 2HB TYR 86 0.234 -11.758 -8.282 639 2HB TYR 86 1HB TYR 86 1.374 -12.951 -8.885 640 HD1 TYR 86 1HD TYR 86 3.961 -11.875 -8.337 641 HD2 TYR 86 2HD TYR 86 0.419 -11.575 -6.008 642 HE1 TYR 86 1HE TYR 86 5.326 -11.605 -6.314 643 HE2 TYR 86 2HE TYR 86 1.768 -11.297 -3.973 644 HH TYR 86 HH TYR 86 4.975 -10.521 -3.988 645 H THR 87 H THR 87 4.068 -11.327 -10.198 646 HA THR 87 HA THR 87 3.655 -13.380 -12.197 647 HB THR 87 HB THR 87 5.060 -10.797 -12.878 648 HG1 THR 87 1HG THR 87 2.915 -10.460 -13.115 649 1HG2 THR 87 1HG2 THR 87 5.649 -11.633 -14.931 650 2HG2 THR 87 2HG2 THR 87 4.467 -12.940 -14.857 651 3HG2 THR 87 3HG2 THR 87 5.934 -13.022 -13.880 652 H GLU 88 H GLU 88 4.763 -14.735 -10.779 653 HA GLU 88 HA GLU 88 7.540 -14.033 -10.162 654 1HB GLU 88 2HB GLU 88 7.497 -15.847 -8.561 655 2HB GLU 88 1HB GLU 88 6.105 -14.804 -8.306 656 1HG GLU 88 2HG GLU 88 5.520 -16.977 -10.126 657 2HG GLU 88 1HG GLU 88 6.093 -17.549 -8.560 658 H GLY 89 H GLY 89 9.181 -15.755 -10.345 659 1HA GLY 89 2HA GLY 89 8.862 -18.046 -11.927 660 2HA GLY 89 1HA GLY 89 9.337 -16.720 -12.985 661 H LEU 90 H LEU 90 11.444 -16.323 -13.211 662 HA LEU 90 HA LEU 90 13.303 -17.789 -11.497 663 1HB LEU 90 2HB LEU 90 13.438 -16.607 -14.232 664 2HB LEU 90 1HB LEU 90 14.934 -16.792 -13.327 665 HG LEU 90 HG LEU 90 14.622 -19.179 -13.182 666 1HD1 LEU 90 1HD1 LEU 90 12.458 -19.778 -12.984 667 2HD1 LEU 90 2HD1 LEU 90 12.580 -19.965 -14.731 668 3HD1 LEU 90 3HD1 LEU 90 11.890 -18.497 -14.053 669 1HD2 LEU 90 1HD2 LEU 90 14.605 -19.739 -15.616 670 2HD2 LEU 90 2HD2 LEU 90 15.722 -18.459 -15.171 671 3HD2 LEU 90 3HD2 LEU 90 14.188 -18.064 -15.945 672 H GLU 91 H GLU 91 12.979 -14.521 -12.884 673 HA GLU 91 HA GLU 91 15.016 -13.302 -11.432 674 1HB GLU 91 2HB GLU 91 12.465 -12.232 -12.620 675 2HB GLU 91 1HB GLU 91 13.613 -11.182 -11.789 676 1HG GLU 91 2HG GLU 91 14.439 -12.953 -14.064 677 2HG GLU 91 1HG GLU 91 13.772 -11.341 -14.322 678 H GLY 92 H GLY 92 11.881 -14.335 -10.418 679 1HA GLY 92 2HA GLY 92 11.723 -14.620 -7.952 680 2HA GLY 92 1HA GLY 92 12.299 -12.960 -7.832 681 H SER 93 H SER 93 9.814 -14.216 -6.844 682 HA SER 93 HA SER 93 7.600 -13.489 -8.375 683 1HB SER 93 2HB SER 93 6.322 -13.619 -6.283 684 2HB SER 93 1HB SER 93 7.451 -14.967 -6.418 685 HG SER 93 HG SER 93 7.948 -12.579 -4.966 686 H ARG 94 H ARG 94 7.826 -11.478 -9.292 687 HA ARG 94 HA ARG 94 8.218 -9.163 -7.595 688 1HB ARG 94 2HB ARG 94 8.990 -8.214 -9.468 689 2HB ARG 94 1HB ARG 94 8.738 -9.745 -10.285 690 1HG ARG 94 2HG ARG 94 6.509 -7.753 -10.071 691 2HG ARG 94 1HG ARG 94 7.763 -7.591 -11.305 692 1HD ARG 94 2HD ARG 94 7.209 -10.097 -11.785 693 2HD ARG 94 1HD ARG 94 5.691 -9.719 -10.975 694 HE ARG 94 HE ARG 94 6.541 -8.830 -13.579 695 1HH1 ARG 94 1HH1 ARG 94 4.419 -8.207 -10.879 696 2HH1 ARG 94 2HH1 ARG 94 3.279 -7.308 -11.823 697 1HH2 ARG 94 1HH2 ARG 94 5.043 -7.647 -14.820 698 2HH2 ARG 94 2HH2 ARG 94 3.632 -6.990 -14.060 699 H PHE 95 H PHE 95 6.682 -7.639 -7.089 700 HA PHE 95 HA PHE 95 3.911 -8.304 -7.837 701 1HB PHE 95 2HB PHE 95 4.624 -8.803 -5.422 702 2HB PHE 95 1HB PHE 95 4.677 -7.056 -5.205 703 HD1 PHE 95 1HD PHE 95 2.912 -6.594 -3.774 704 HD2 PHE 95 2HD PHE 95 2.265 -9.104 -7.153 705 HE1 PHE 95 1HE PHE 95 0.498 -6.578 -3.318 706 HE2 PHE 95 2HE PHE 95 -0.149 -9.085 -6.707 707 HZ PHE 95 HZ PHE 95 -1.036 -7.816 -4.798 708 H THR 96 H THR 96 2.751 -6.712 -8.729 709 HA THR 96 HA THR 96 3.618 -3.937 -8.282 710 HB THR 96 HB THR 96 2.653 -4.582 -11.003 711 HG1 THR 96 1HG THR 96 5.288 -5.219 -10.177 712 1HG2 THR 96 1HG2 THR 96 3.259 -2.403 -10.961 713 2HG2 THR 96 2HG2 THR 96 4.805 -3.120 -11.418 714 3HG2 THR 96 3HG2 THR 96 4.510 -2.655 -9.742 715 H VAL 97 H VAL 97 2.035 -2.599 -7.801 716 HA VAL 97 HA VAL 97 -0.729 -3.321 -8.535 717 HB VAL 97 HB VAL 97 -0.214 -1.780 -6.022 718 1HG1 VAL 97 1HG1 VAL 97 -2.466 -2.797 -7.349 719 2HG1 VAL 97 2HG1 VAL 97 -2.405 -2.025 -5.767 720 3HG1 VAL 97 3HG1 VAL 97 -2.262 -3.778 -5.901 721 1HG2 VAL 97 1HG2 VAL 97 -0.575 -4.428 -5.213 722 2HG2 VAL 97 2HG2 VAL 97 0.882 -3.450 -5.042 723 3HG2 VAL 97 3HG2 VAL 97 0.677 -4.486 -6.449 724 H ASN 98 H ASN 98 -2.199 -1.447 -8.684 725 HA ASN 98 HA ASN 98 -0.813 1.103 -9.111 726 1HB ASN 98 2HB ASN 98 -2.730 -0.162 -11.080 727 2HB ASN 98 1HB ASN 98 -2.017 1.446 -11.228 728 1HD2 ASN 98 1HD2 ASN 98 -1.810 -1.536 -12.409 729 2HD2 ASN 98 2HD2 ASN 98 -0.129 -1.616 -12.790 730 H ASN 99 H ASN 99 -1.834 2.785 -8.261 731 HA ASN 99 HA ASN 99 -4.730 2.797 -7.997 732 1HB ASN 99 2HB ASN 99 -3.432 3.662 -5.504 733 2HB ASN 99 1HB ASN 99 -4.877 2.682 -5.743 734 1HD2 ASN 99 1HD2 ASN 99 -1.859 2.670 -4.516 735 2HD2 ASN 99 2HD2 ASN 99 -1.536 0.977 -4.543 736 HA PRO 100 HA PRO 100 -4.566 7.132 -8.706 737 1HB PRO 100 2HB PRO 100 -5.676 8.251 -6.406 738 2HB PRO 100 1HB PRO 100 -6.576 7.685 -7.819 739 1HG PRO 100 2HG PRO 100 -6.060 6.315 -5.221 740 2HG PRO 100 1HG PRO 100 -7.511 6.286 -6.240 741 1HD PRO 100 2HD PRO 100 -5.808 4.223 -6.173 742 2HD PRO 100 1HD PRO 100 -6.617 4.698 -7.677 743 H ASN 101 H ASN 101 -3.951 6.775 -5.208 744 HA ASN 101 HA ASN 101 -2.181 8.935 -5.030 745 1HB ASN 101 2HB ASN 101 -1.810 8.299 -2.827 746 2HB ASN 101 1HB ASN 101 -3.384 7.575 -3.159 747 1HD2 ASN 101 1HD2 ASN 101 -2.969 5.297 -4.337 748 2HD2 ASN 101 2HD2 ASN 101 -1.947 4.247 -3.416 749 H ALA 102 H ALA 102 -1.699 5.728 -6.208 750 HA ALA 102 HA ALA 102 1.168 5.758 -5.899 751 1HB ALA 102 1HB ALA 102 -0.561 3.743 -6.075 752 2HB ALA 102 2HB ALA 102 1.130 3.588 -6.553 753 3HB ALA 102 3HB ALA 102 -0.111 3.861 -7.776 754 H THR 103 H THR 103 -0.577 7.672 -7.764 755 HA THR 103 HA THR 103 -0.345 8.716 -9.770 756 HB THR 103 HB THR 103 2.189 8.822 -10.487 757 HG1 THR 103 1HG THR 103 3.415 7.672 -9.261 758 1HG2 THR 103 1HG2 THR 103 1.514 10.823 -9.677 759 2HG2 THR 103 2HG2 THR 103 2.567 10.332 -8.351 760 3HG2 THR 103 3HG2 THR 103 0.822 10.128 -8.212 761 H SER 104 H SER 104 -1.407 7.529 -11.277 762 HA SER 104 HA SER 104 -0.256 5.139 -12.407 763 1HB SER 104 2HB SER 104 -2.809 6.656 -12.757 764 2HB SER 104 1HB SER 104 -2.314 5.538 -14.028 765 HG SER 104 HG SER 104 -3.427 4.993 -11.655 766 H THR 105 H THR 105 1.031 5.016 -14.126 767 HA THR 105 HA THR 105 2.246 5.585 -15.963 768 HB THR 105 HB THR 105 0.388 7.745 -16.787 769 HG1 THR 105 1HG THR 105 -0.444 5.038 -16.759 770 1HG2 THR 105 1HG2 THR 105 1.011 7.173 -18.832 771 2HG2 THR 105 2HG2 THR 105 0.657 5.470 -18.544 772 3HG2 THR 105 3HG2 THR 105 2.222 6.136 -18.079 773 H CYS 106 H CYS 106 3.211 7.605 -17.154 774 HA CYS 106 HA CYS 106 3.633 9.813 -15.277 775 1HB CYS 106 2HB CYS 106 5.454 7.827 -15.345 776 2HB CYS 106 1HB CYS 106 6.062 8.824 -16.662 777 HG CYS 106 HG CYS 106 6.198 10.808 -14.867 778 H GLY 107 H GLY 107 3.407 11.694 -16.282 779 1HA GLY 107 2HA GLY 107 4.222 11.902 -19.103 780 2HA GLY 107 1HA GLY 107 2.603 12.413 -18.630 781 H CYS 108 H CYS 108 5.066 12.961 -16.300 782 HA CYS 108 HA CYS 108 5.127 15.806 -17.061 783 1HB CYS 108 2HB CYS 108 5.074 14.481 -14.357 784 2HB CYS 108 1HB CYS 108 5.618 16.143 -14.560 785 HG CYS 108 HG CYS 108 3.209 16.559 -14.158 786 H GLY 109 H GLY 109 6.951 13.734 -17.980 787 1HA GLY 109 2HA GLY 109 9.212 13.704 -18.463 788 2HA GLY 109 1HA GLY 109 9.413 15.096 -17.402 789 H SER 110 H SER 110 10.637 14.739 -15.686 790 HA SER 110 HA SER 110 11.739 13.702 -13.989 791 1HB SER 110 2HB SER 110 9.072 12.466 -14.033 792 2HB SER 110 1HB SER 110 10.308 11.475 -13.261 793 HG SER 110 HG SER 110 9.175 13.030 -11.879 794 H SER 111 H SER 111 12.727 11.538 -13.302 795 HA SER 111 HA SER 111 12.923 9.399 -15.120 796 1HB SER 111 2HB SER 111 14.236 11.527 -16.150 797 2HB SER 111 1HB SER 111 15.525 10.815 -15.179 798 HG SER 111 HG SER 111 15.648 9.212 -16.538 799 H PHE 112 H PHE 112 14.992 8.056 -14.620 800 HA PHE 112 HA PHE 112 15.315 8.074 -11.699 801 1HB PHE 112 2HB PHE 112 15.899 5.826 -13.634 802 2HB PHE 112 1HB PHE 112 15.888 5.727 -11.878 803 HD1 PHE 112 1HD PHE 112 13.829 5.582 -10.652 804 HD2 PHE 112 2HD PHE 112 13.815 5.997 -14.888 805 HE1 PHE 112 1HE PHE 112 11.447 4.966 -10.701 806 HE2 PHE 112 2HE PHE 112 11.433 5.383 -14.944 807 HZ PHE 112 HZ PHE 112 10.246 4.868 -12.848 808 H SER 113 H SER 113 17.515 6.663 -11.273 809 HA SER 113 HA SER 113 19.641 8.251 -12.543 810 1HB SER 113 2HB SER 113 20.911 8.059 -10.512 811 2HB SER 113 1HB SER 113 19.288 8.595 -10.075 812 HG SER 113 HG SER 113 18.815 6.558 -9.354 813 H ILE 114 H ILE 114 21.746 7.168 -12.681 814 HA ILE 114 HA ILE 114 21.707 4.894 -14.203 815 HB ILE 114 HB ILE 114 24.079 4.727 -13.913 816 1HG1 ILE 114 2HG1 ILE 114 24.093 4.891 -11.425 817 2HG1 ILE 114 1HG1 ILE 114 25.319 5.893 -12.193 818 1HG2 ILE 114 1HG2 ILE 114 24.741 6.881 -14.607 819 2HG2 ILE 114 2HG2 ILE 114 23.442 7.654 -13.698 820 3HG2 ILE 114 3HG2 ILE 114 23.066 6.695 -15.130 821 1HD1 ILE 114 1HD1 ILE 114 23.589 7.783 -11.987 822 2HD1 ILE 114 2HD1 ILE 114 24.455 7.260 -10.543 823 3HD1 ILE 114 3HD1 ILE 114 22.799 6.720 -10.821 Start of MODEL 8 1 1H MET 1 1HT MET 1 -20.481 -7.721 -12.413 2 2H MET 1 2HT MET 1 -20.846 -6.471 -11.301 3 3H MET 1 3HT MET 1 -22.099 -7.184 -12.237 4 HA MET 1 HA MET 1 -22.193 -8.001 -10.035 5 1HB MET 1 2HB MET 1 -21.032 -10.065 -11.923 6 2HB MET 1 1HB MET 1 -22.128 -10.367 -10.577 7 1HG MET 1 2HG MET 1 -22.759 -8.877 -13.111 8 2HG MET 1 1HG MET 1 -23.345 -10.472 -12.641 9 1HE MET 1 1HE MET 1 -25.864 -10.546 -10.826 10 2HE MET 1 2HE MET 1 -25.263 -9.668 -9.424 11 3HE MET 1 3HE MET 1 -24.202 -10.786 -10.287 12 H ILE 2 H ILE 2 -20.962 -10.179 -8.994 13 HA ILE 2 HA ILE 2 -18.411 -9.064 -8.101 14 HB ILE 2 HB ILE 2 -19.331 -11.483 -6.736 15 1HG1 ILE 2 2HG1 ILE 2 -21.540 -10.589 -7.199 16 2HG1 ILE 2 1HG1 ILE 2 -21.147 -10.339 -5.498 17 1HG2 ILE 2 1HG2 ILE 2 -17.597 -9.523 -6.184 18 2HG2 ILE 2 2HG2 ILE 2 -18.374 -10.502 -4.941 19 3HG2 ILE 2 3HG2 ILE 2 -19.010 -8.904 -5.333 20 1HD1 ILE 2 1HD1 ILE 2 -21.961 -8.286 -5.939 21 2HD1 ILE 2 2HD1 ILE 2 -21.567 -8.380 -7.658 22 3HD1 ILE 2 3HD1 ILE 2 -20.306 -8.003 -6.485 23 H ASP 3 H ASP 3 -17.347 -11.470 -7.085 24 HA ASP 3 HA ASP 3 -16.329 -13.463 -7.657 25 1HB ASP 3 2HB ASP 3 -18.184 -13.450 -9.611 26 2HB ASP 3 1HB ASP 3 -16.737 -13.199 -10.581 27 H ASP 4 H ASP 4 -15.774 -10.365 -8.793 28 HA ASP 4 HA ASP 4 -13.097 -11.043 -9.796 29 1HB ASP 4 2HB ASP 4 -14.733 -8.513 -10.053 30 2HB ASP 4 1HB ASP 4 -13.092 -8.704 -10.665 31 H MET 5 H MET 5 -14.864 -8.961 -7.581 32 HA MET 5 HA MET 5 -12.620 -8.929 -5.750 33 1HB MET 5 2HB MET 5 -12.649 -6.439 -5.570 34 2HB MET 5 1HB MET 5 -12.057 -7.031 -7.112 35 1HG MET 5 2HG MET 5 -13.441 -5.508 -7.974 36 2HG MET 5 1HG MET 5 -14.679 -6.726 -7.677 37 1HE MET 5 1HE MET 5 -17.058 -5.118 -6.858 38 2HE MET 5 2HE MET 5 -16.896 -5.529 -5.151 39 3HE MET 5 3HE MET 5 -16.395 -6.684 -6.388 40 H ALA 6 H ALA 6 -13.849 -6.614 -4.276 41 HA ALA 6 HA ALA 6 -16.537 -7.332 -3.721 42 1HB ALA 6 1HB ALA 6 -16.401 -8.500 -1.757 43 2HB ALA 6 2HB ALA 6 -14.767 -7.946 -1.412 44 3HB ALA 6 3HB ALA 6 -15.037 -9.167 -2.663 45 H VAL 7 H VAL 7 -13.613 -5.601 -2.702 46 HA VAL 7 HA VAL 7 -15.405 -3.503 -1.760 47 HB VAL 7 HB VAL 7 -13.136 -3.481 -0.030 48 1HG1 VAL 7 1HG1 VAL 7 -15.298 -2.435 0.394 49 2HG1 VAL 7 2HG1 VAL 7 -14.870 -3.567 1.677 50 3HG1 VAL 7 3HG1 VAL 7 -16.054 -4.024 0.452 51 1HG2 VAL 7 1HG2 VAL 7 -12.919 -5.861 -0.409 52 2HG2 VAL 7 2HG2 VAL 7 -14.642 -6.093 -0.130 53 3HG2 VAL 7 3HG2 VAL 7 -13.594 -5.581 1.191 54 HA PRO 8 HA PRO 8 -11.761 -1.025 -3.099 55 1HB PRO 8 2HB PRO 8 -9.449 -1.202 -1.913 56 2HB PRO 8 1HB PRO 8 -10.895 -1.084 -0.903 57 1HG PRO 8 2HG PRO 8 -9.233 -3.485 -1.542 58 2HG PRO 8 1HG PRO 8 -10.034 -3.051 -0.020 59 1HD PRO 8 2HD PRO 8 -11.039 -4.733 -2.121 60 2HD PRO 8 1HD PRO 8 -11.864 -4.248 -0.632 61 H LEU 9 H LEU 9 -8.716 -2.209 -2.986 62 HA LEU 9 HA LEU 9 -8.209 -2.190 -5.703 63 1HB LEU 9 2HB LEU 9 -6.602 -1.855 -3.822 64 2HB LEU 9 1HB LEU 9 -6.629 -3.582 -3.541 65 HG LEU 9 HG LEU 9 -4.824 -3.698 -4.845 66 1HD1 LEU 9 1HD1 LEU 9 -6.230 -4.580 -6.509 67 2HD1 LEU 9 2HD1 LEU 9 -5.142 -3.458 -7.315 68 3HD1 LEU 9 3HD1 LEU 9 -6.800 -2.981 -6.978 69 1HD2 LEU 9 1HD2 LEU 9 -4.250 -1.711 -6.417 70 2HD2 LEU 9 2HD2 LEU 9 -4.078 -1.534 -4.672 71 3HD2 LEU 9 3HD2 LEU 9 -5.489 -0.874 -5.492 72 H THR 10 H THR 10 -8.423 -3.610 -7.283 73 HA THR 10 HA THR 10 -9.055 -6.401 -6.640 74 HB THR 10 HB THR 10 -9.426 -4.790 -9.170 75 HG1 THR 10 1HG THR 10 -11.014 -5.351 -7.050 76 1HG2 THR 10 1HG2 THR 10 -9.330 -7.668 -8.805 77 2HG2 THR 10 2HG2 THR 10 -9.320 -6.705 -10.284 78 3HG2 THR 10 3HG2 THR 10 -10.851 -7.106 -9.505 79 H PHE 11 H PHE 11 -7.494 -7.863 -6.869 80 HA PHE 11 HA PHE 11 -5.007 -7.131 -8.197 81 1HB PHE 11 2HB PHE 11 -4.045 -8.986 -7.074 82 2HB PHE 11 1HB PHE 11 -5.136 -8.247 -5.914 83 HD1 PHE 11 1HD PHE 11 -4.282 -11.143 -7.764 84 HD2 PHE 11 2HD PHE 11 -7.379 -9.299 -5.532 85 HE1 PHE 11 1HE PHE 11 -5.370 -13.318 -7.519 86 HE2 PHE 11 2HE PHE 11 -8.503 -11.478 -5.274 87 HZ PHE 11 HZ PHE 11 -7.494 -13.486 -6.279 88 H THR 12 H THR 12 -3.940 -9.237 -9.286 89 HA THR 12 HA THR 12 -5.660 -9.785 -11.572 90 HB THR 12 HB THR 12 -3.195 -9.129 -11.712 91 HG1 THR 12 1HG THR 12 -3.143 -11.308 -13.234 92 1HG2 THR 12 1HG2 THR 12 -1.537 -10.830 -11.578 93 2HG2 THR 12 2HG2 THR 12 -2.742 -12.049 -11.179 94 3HG2 THR 12 3HG2 THR 12 -2.379 -10.766 -10.030 95 H ASP 13 H ASP 13 -4.536 -12.290 -12.353 96 HA ASP 13 HA ASP 13 -6.080 -14.043 -10.608 97 1HB ASP 13 2HB ASP 13 -4.782 -14.552 -13.293 98 2HB ASP 13 1HB ASP 13 -5.799 -15.700 -12.428 99 H ALA 14 H ALA 14 -2.835 -13.709 -11.901 100 HA ALA 14 HA ALA 14 -1.722 -16.026 -10.819 101 1HB ALA 14 1HB ALA 14 0.410 -15.071 -11.301 102 2HB ALA 14 2HB ALA 14 -0.258 -13.438 -11.288 103 3HB ALA 14 3HB ALA 14 -0.702 -14.560 -12.571 104 H ALA 15 H ALA 15 -2.038 -12.766 -9.429 105 HA ALA 15 HA ALA 15 -0.473 -13.134 -7.163 106 1HB ALA 15 1HB ALA 15 -1.229 -11.112 -6.597 107 2HB ALA 15 2HB ALA 15 -2.898 -11.669 -6.548 108 3HB ALA 15 3HB ALA 15 -2.184 -11.151 -8.081 109 H ALA 16 H ALA 16 -3.619 -14.317 -8.006 110 HA ALA 16 HA ALA 16 -4.308 -15.335 -5.401 111 1HB ALA 16 1HB ALA 16 -6.000 -14.858 -7.160 112 2HB ALA 16 2HB ALA 16 -6.079 -16.517 -6.577 113 3HB ALA 16 3HB ALA 16 -5.308 -16.161 -8.126 114 H ASN 17 H ASN 17 -2.920 -16.549 -8.367 115 HA ASN 17 HA ASN 17 -2.765 -19.244 -7.826 116 1HB ASN 17 2HB ASN 17 -1.125 -17.392 -9.520 117 2HB ASN 17 1HB ASN 17 -0.677 -19.083 -9.374 118 1HD2 ASN 17 1HD2 ASN 17 -3.561 -17.112 -9.946 119 2HD2 ASN 17 2HD2 ASN 17 -4.179 -18.082 -11.222 120 H LYS 18 H LYS 18 -0.254 -16.759 -7.145 121 HA LYS 18 HA LYS 18 1.610 -18.526 -6.058 122 1HB LYS 18 2HB LYS 18 2.595 -16.589 -4.921 123 2HB LYS 18 1HB LYS 18 2.193 -16.217 -6.591 124 1HG LYS 18 2HG LYS 18 1.444 -14.337 -5.540 125 2HG LYS 18 1HG LYS 18 -0.021 -15.317 -5.540 126 1HD LYS 18 2HD LYS 18 -0.066 -14.846 -3.345 127 2HD LYS 18 1HD LYS 18 1.151 -16.113 -3.219 128 1HE LYS 18 2HE LYS 18 1.633 -13.149 -3.440 129 2HE LYS 18 1HE LYS 18 1.873 -14.154 -2.012 130 1HZ LYS 18 1HZ LYS 18 3.325 -14.665 -4.540 131 2HZ LYS 18 2HZ LYS 18 3.698 -15.215 -2.985 132 3HZ LYS 18 3HZ LYS 18 3.912 -13.584 -3.377 133 H VAL 19 H VAL 19 -1.264 -17.084 -4.684 134 HA VAL 19 HA VAL 19 -0.700 -17.825 -1.984 135 HB VAL 19 HB VAL 19 -3.372 -17.242 -3.264 136 1HG1 VAL 19 1HG1 VAL 19 -2.606 -18.011 -0.590 137 2HG1 VAL 19 2HG1 VAL 19 -4.212 -17.837 -1.292 138 3HG1 VAL 19 3HG1 VAL 19 -3.395 -16.435 -0.599 139 1HG2 VAL 19 1HG2 VAL 19 -1.828 -15.395 -3.574 140 2HG2 VAL 19 2HG2 VAL 19 -1.469 -15.379 -1.850 141 3HG2 VAL 19 3HG2 VAL 19 -3.086 -14.968 -2.421 142 H LYS 20 H LYS 20 -3.310 -18.993 -4.076 143 HA LYS 20 HA LYS 20 -3.941 -21.276 -2.685 144 1HB LYS 20 2HB LYS 20 -4.752 -22.103 -4.987 145 2HB LYS 20 1HB LYS 20 -5.470 -20.642 -4.323 146 1HG LYS 20 2HG LYS 20 -4.915 -19.545 -6.157 147 2HG LYS 20 1HG LYS 20 -3.210 -19.868 -5.833 148 1HD LYS 20 2HD LYS 20 -4.852 -22.023 -7.060 149 2HD LYS 20 1HD LYS 20 -4.360 -20.658 -8.069 150 1HE LYS 20 2HE LYS 20 -2.038 -21.076 -7.572 151 2HE LYS 20 1HE LYS 20 -2.475 -22.347 -6.431 152 1HZ LYS 20 1HZ LYS 20 -1.856 -23.430 -8.394 153 2HZ LYS 20 2HZ LYS 20 -2.740 -22.376 -9.377 154 3HZ LYS 20 3HZ LYS 20 -3.549 -23.488 -8.391 155 H SER 21 H SER 21 -1.195 -20.721 -4.677 156 HA SER 21 HA SER 21 -0.780 -23.507 -5.248 157 1HB SER 21 2HB SER 21 -0.151 -21.813 -6.905 158 2HB SER 21 1HB SER 21 1.020 -21.134 -5.775 159 HG SER 21 HG SER 21 2.126 -22.519 -7.105 160 H LEU 22 H LEU 22 0.867 -21.053 -3.254 161 HA LEU 22 HA LEU 22 2.672 -23.071 -2.254 162 1HB LEU 22 2HB LEU 22 3.978 -21.388 -1.570 163 2HB LEU 22 1HB LEU 22 2.965 -20.423 -2.617 164 HG LEU 22 HG LEU 22 3.371 -19.300 -0.503 165 1HD1 LEU 22 1HD1 LEU 22 1.370 -18.641 -1.447 166 2HD1 LEU 22 2HD1 LEU 22 0.925 -19.060 0.205 167 3HD1 LEU 22 3HD1 LEU 22 0.586 -20.176 -1.110 168 1HD2 LEU 22 1HD2 LEU 22 3.156 -20.203 1.537 169 2HD2 LEU 22 2HD2 LEU 22 3.280 -21.734 0.669 170 3HD2 LEU 22 3HD2 LEU 22 1.692 -21.096 1.105 171 H ILE 23 H ILE 23 -0.346 -21.675 -1.309 172 HA ILE 23 HA ILE 23 -0.177 -22.392 1.435 173 HB ILE 23 HB ILE 23 -2.613 -22.061 1.453 174 1HG1 ILE 23 2HG1 ILE 23 -3.251 -20.865 -0.885 175 2HG1 ILE 23 1HG1 ILE 23 -2.153 -22.108 -1.456 176 1HG2 ILE 23 1HG2 ILE 23 -0.632 -20.093 0.560 177 2HG2 ILE 23 2HG2 ILE 23 -1.734 -20.043 1.930 178 3HG2 ILE 23 3HG2 ILE 23 -2.310 -19.623 0.315 179 1HD1 ILE 23 1HD1 ILE 23 -3.782 -23.598 -1.329 180 2HD1 ILE 23 2HD1 ILE 23 -4.883 -22.341 -0.765 181 3HD1 ILE 23 3HD1 ILE 23 -3.954 -23.290 0.396 182 H SER 24 H SER 24 -1.688 -23.804 -1.424 183 HA SER 24 HA SER 24 -2.751 -26.088 -0.219 184 1HB SER 24 2HB SER 24 -2.003 -25.285 -2.984 185 2HB SER 24 1HB SER 24 -2.200 -27.014 -2.681 186 HG SER 24 HG SER 24 -4.287 -26.351 -1.698 187 H GLU 25 H GLU 25 0.440 -25.141 -1.045 188 HA GLU 25 HA GLU 25 1.569 -27.776 -0.975 189 1HB GLU 25 2HB GLU 25 2.381 -25.385 -2.043 190 2HB GLU 25 1HB GLU 25 3.393 -25.505 -0.620 191 1HG GLU 25 2HG GLU 25 3.222 -27.950 -2.232 192 2HG GLU 25 1HG GLU 25 3.994 -26.574 -3.021 193 H GLU 26 H GLU 26 0.715 -25.326 1.296 194 HA GLU 26 HA GLU 26 2.602 -26.186 3.311 195 1HB GLU 26 2HB GLU 26 0.211 -24.371 3.419 196 2HB GLU 26 1HB GLU 26 1.235 -24.700 4.806 197 1HG GLU 26 2HG GLU 26 3.133 -23.731 3.668 198 2HG GLU 26 1HG GLU 26 2.158 -23.473 2.221 199 H GLU 27 H GLU 27 -0.428 -27.167 2.147 200 HA GLU 27 HA GLU 27 -1.662 -29.014 2.687 201 1HB GLU 27 2HB GLU 27 0.653 -29.569 4.065 202 2HB GLU 27 1HB GLU 27 -0.546 -29.527 5.350 203 1HG GLU 27 2HG GLU 27 -1.040 -31.617 4.840 204 2HG GLU 27 1HG GLU 27 -1.733 -31.019 3.331 205 H ASN 28 H ASN 28 -1.664 -26.103 3.851 206 HA ASN 28 HA ASN 28 -3.033 -26.114 6.282 207 1HB ASN 28 2HB ASN 28 -3.936 -24.117 4.273 208 2HB ASN 28 1HB ASN 28 -3.464 -23.886 5.950 209 1HD2 ASN 28 1HD2 ASN 28 -2.623 -23.480 2.771 210 2HD2 ASN 28 2HD2 ASN 28 -0.968 -23.051 3.004 211 H THR 29 H THR 29 -4.536 -25.474 3.135 212 HA THR 29 HA THR 29 -6.390 -27.432 2.921 213 HB THR 29 HB THR 29 -7.288 -27.211 5.076 214 HG1 THR 29 1HG THR 29 -9.029 -27.248 3.761 215 1HG2 THR 29 1HG2 THR 29 -6.298 -24.624 5.006 216 2HG2 THR 29 2HG2 THR 29 -7.202 -25.376 6.321 217 3HG2 THR 29 3HG2 THR 29 -8.050 -24.424 5.112 218 H ASP 30 H ASP 30 -6.384 -23.889 3.157 219 HA ASP 30 HA ASP 30 -6.711 -23.318 0.470 220 1HB ASP 30 2HB ASP 30 -9.215 -24.104 1.800 221 2HB ASP 30 1HB ASP 30 -9.297 -22.536 0.993 222 H LEU 31 H LEU 31 -5.170 -22.097 1.847 223 HA LEU 31 HA LEU 31 -5.883 -20.177 3.688 224 1HB LEU 31 2HB LEU 31 -3.605 -21.005 2.238 225 2HB LEU 31 1HB LEU 31 -3.667 -19.262 2.170 226 HG LEU 31 HG LEU 31 -2.330 -19.856 4.032 227 1HD1 LEU 31 1HD1 LEU 31 -3.439 -18.741 5.780 228 2HD1 LEU 31 2HD1 LEU 31 -5.019 -19.266 5.203 229 3HD1 LEU 31 3HD1 LEU 31 -4.101 -18.075 4.290 230 1HD2 LEU 31 1HD2 LEU 31 -2.596 -21.732 5.186 231 2HD2 LEU 31 2HD2 LEU 31 -3.977 -22.125 4.149 232 3HD2 LEU 31 3HD2 LEU 31 -4.224 -21.265 5.672 233 H LYS 32 H LYS 32 -5.958 -17.928 3.560 234 HA LYS 32 HA LYS 32 -6.896 -16.865 0.982 235 1HB LYS 32 2HB LYS 32 -7.805 -15.309 3.253 236 2HB LYS 32 1HB LYS 32 -8.739 -16.019 1.947 237 1HG LYS 32 2HG LYS 32 -8.212 -18.206 3.475 238 2HG LYS 32 1HG LYS 32 -8.331 -16.937 4.694 239 1HD LYS 32 2HD LYS 32 -10.394 -17.607 2.597 240 2HD LYS 32 1HD LYS 32 -10.499 -17.968 4.321 241 1HE LYS 32 2HE LYS 32 -9.966 -15.155 3.793 242 2HE LYS 32 1HE LYS 32 -11.468 -15.712 3.055 243 1HZ LYS 32 1HZ LYS 32 -10.705 -15.845 5.920 244 2HZ LYS 32 2HZ LYS 32 -12.049 -16.647 5.282 245 3HZ LYS 32 3HZ LYS 32 -11.966 -14.959 5.229 246 H LEU 33 H LEU 33 -5.727 -15.220 0.193 247 HA LEU 33 HA LEU 33 -3.357 -14.373 1.371 248 1HB LEU 33 2HB LEU 33 -4.160 -14.264 -1.070 249 2HB LEU 33 1HB LEU 33 -4.912 -12.751 -0.620 250 HG LEU 33 HG LEU 33 -2.657 -12.597 -1.746 251 1HD1 LEU 33 1HD1 LEU 33 -3.655 -11.195 0.588 252 2HD1 LEU 33 2HD1 LEU 33 -2.964 -10.568 -0.899 253 3HD1 LEU 33 3HD1 LEU 33 -1.906 -11.072 0.419 254 1HD2 LEU 33 1HD2 LEU 33 -0.837 -13.544 -0.883 255 2HD2 LEU 33 2HD2 LEU 33 -1.917 -14.443 0.183 256 3HD2 LEU 33 3HD2 LEU 33 -1.194 -12.929 0.730 257 H ARG 34 H ARG 34 -2.737 -12.486 2.399 258 HA ARG 34 HA ARG 34 -4.804 -10.597 3.194 259 1HB ARG 34 2HB ARG 34 -4.766 -12.195 5.023 260 2HB ARG 34 1HB ARG 34 -3.022 -12.044 5.153 261 1HG ARG 34 2HG ARG 34 -3.779 -9.463 5.462 262 2HG ARG 34 1HG ARG 34 -5.149 -10.310 6.182 263 1HD ARG 34 2HD ARG 34 -3.620 -11.549 7.634 264 2HD ARG 34 1HD ARG 34 -2.248 -10.713 6.908 265 HE ARG 34 HE ARG 34 -3.962 -9.725 8.954 266 1HH1 ARG 34 1HH1 ARG 34 -2.070 -8.738 6.191 267 2HH1 ARG 34 2HH1 ARG 34 -1.827 -7.127 6.778 268 1HH2 ARG 34 1HH2 ARG 34 -3.642 -7.606 9.725 269 2HH2 ARG 34 2HH2 ARG 34 -2.719 -6.484 8.785 270 H VAL 35 H VAL 35 -3.925 -8.981 2.062 271 HA VAL 35 HA VAL 35 -1.137 -8.455 1.929 272 HB VAL 35 HB VAL 35 -3.308 -6.501 1.263 273 1HG1 VAL 35 1HG1 VAL 35 -0.495 -6.928 0.289 274 2HG1 VAL 35 2HG1 VAL 35 -1.143 -5.532 1.151 275 3HG1 VAL 35 3HG1 VAL 35 -1.649 -5.858 -0.506 276 1HG2 VAL 35 1HG2 VAL 35 -3.978 -8.486 0.195 277 2HG2 VAL 35 2HG2 VAL 35 -2.332 -8.853 -0.321 278 3HG2 VAL 35 3HG2 VAL 35 -3.203 -7.491 -1.032 279 H TYR 36 H TYR 36 -0.062 -6.595 2.531 280 HA TYR 36 HA TYR 36 -1.147 -4.916 4.643 281 1HB TYR 36 2HB TYR 36 1.286 -5.299 5.726 282 2HB TYR 36 1HB TYR 36 -0.121 -6.248 6.195 283 HD1 TYR 36 1HD TYR 36 -0.504 -8.444 4.845 284 HD2 TYR 36 2HD TYR 36 3.214 -6.389 5.040 285 HE1 TYR 36 1HE TYR 36 0.661 -10.504 4.195 286 HE2 TYR 36 2HE TYR 36 4.395 -8.447 4.390 287 HH TYR 36 HH TYR 36 3.451 -11.271 4.671 288 H ILE 37 H ILE 37 0.735 -3.227 5.198 289 HA ILE 37 HA ILE 37 1.486 -2.136 2.613 290 HB ILE 37 HB ILE 37 1.532 -1.007 5.404 291 1HG1 ILE 37 2HG1 ILE 37 -0.625 -1.038 4.236 292 2HG1 ILE 37 1HG1 ILE 37 -0.040 0.616 4.425 293 1HG2 ILE 37 1HG2 ILE 37 2.979 -0.081 2.993 294 2HG2 ILE 37 2HG2 ILE 37 3.377 0.115 4.701 295 3HG2 ILE 37 3HG2 ILE 37 2.149 1.143 3.959 296 1HD1 ILE 37 1HD1 ILE 37 -0.643 0.751 2.267 297 2HD1 ILE 37 2HD1 ILE 37 -0.465 -0.981 1.992 298 3HD1 ILE 37 3HD1 ILE 37 0.959 0.061 2.005 299 H THR 38 H THR 38 3.321 -2.801 1.729 300 HA THR 38 HA THR 38 5.702 -3.032 3.448 301 HB THR 38 HB THR 38 4.912 -4.821 1.146 302 HG1 THR 38 1HG THR 38 3.982 -5.097 3.354 303 1HG2 THR 38 1HG2 THR 38 7.499 -4.425 2.468 304 2HG2 THR 38 2HG2 THR 38 7.113 -5.101 0.885 305 3HG2 THR 38 3HG2 THR 38 6.963 -6.101 2.331 306 H GLY 39 H GLY 39 4.408 -2.182 0.290 307 1HA GLY 39 2HA GLY 39 7.010 -0.952 -0.374 308 2HA GLY 39 1HA GLY 39 5.899 -1.602 -1.578 309 H GLY 40 H GLY 40 6.826 0.920 -1.906 310 1HA GLY 40 2HA GLY 40 5.145 2.602 -2.736 311 2HA GLY 40 1HA GLY 40 4.546 2.606 -1.080 312 H GLY 41 H GLY 41 6.602 2.877 0.515 313 1HA GLY 41 2HA GLY 41 8.295 4.275 1.245 314 2HA GLY 41 1HA GLY 41 8.569 4.745 -0.429 315 H CYS 42 H CYS 42 6.498 5.988 -1.316 316 HA CYS 42 HA CYS 42 5.826 8.053 0.672 317 1HB CYS 42 2HB CYS 42 7.445 8.577 -1.343 318 2HB CYS 42 1HB CYS 42 5.939 8.690 -2.248 319 HG CYS 42 HG CYS 42 5.398 10.493 -0.123 320 H SER 43 H SER 43 4.584 5.627 -1.261 321 HA SER 43 HA SER 43 1.891 6.662 -0.919 322 1HB SER 43 2HB SER 43 3.072 5.992 -3.615 323 2HB SER 43 1HB SER 43 1.333 6.019 -3.321 324 HG SER 43 HG SER 43 2.864 8.054 -3.911 325 H GLY 44 H GLY 44 2.963 4.049 -3.064 326 1HA GLY 44 2HA GLY 44 3.064 1.801 -1.693 327 2HA GLY 44 1HA GLY 44 1.369 2.188 -1.459 328 H PHE 45 H PHE 45 3.470 0.441 -3.309 329 HA PHE 45 HA PHE 45 1.426 0.077 -5.358 330 1HB PHE 45 2HB PHE 45 2.876 0.330 -7.204 331 2HB PHE 45 1HB PHE 45 3.196 1.720 -6.164 332 HD1 PHE 45 1HD PHE 45 5.095 1.151 -4.314 333 HD2 PHE 45 2HD PHE 45 4.703 -0.652 -8.147 334 HE1 PHE 45 1HE PHE 45 7.481 0.557 -4.273 335 HE2 PHE 45 2HE PHE 45 7.087 -1.249 -8.118 336 HZ PHE 45 HZ PHE 45 8.482 -0.645 -6.178 337 H GLN 46 H GLN 46 3.426 -1.346 -3.136 338 HA GLN 46 HA GLN 46 3.555 -3.836 -4.692 339 1HB GLN 46 2HB GLN 46 5.185 -3.314 -2.226 340 2HB GLN 46 1HB GLN 46 5.470 -4.485 -3.504 341 1HG GLN 46 2HG GLN 46 6.122 -2.772 -5.029 342 2HG GLN 46 1HG GLN 46 5.638 -1.510 -3.895 343 1HE2 GLN 46 1HE2 GLN 46 7.683 -4.392 -3.959 344 2HE2 GLN 46 2HE2 GLN 46 9.019 -3.680 -3.120 345 H TYR 47 H TYR 47 3.620 -3.115 -1.206 346 HA TYR 47 HA TYR 47 2.288 -3.833 0.506 347 1HB TYR 47 2HB TYR 47 0.376 -5.021 -1.486 348 2HB TYR 47 1HB TYR 47 0.043 -4.409 0.130 349 HD1 TYR 47 1HD TYR 47 0.382 -1.877 0.501 350 HD2 TYR 47 2HD TYR 47 -0.002 -3.668 -3.336 351 HE1 TYR 47 1HE TYR 47 -0.269 0.299 -0.438 352 HE2 TYR 47 2HE TYR 47 -0.653 -1.495 -4.291 353 HH TYR 47 HH TYR 47 -0.408 1.455 -2.487 354 H GLY 48 H GLY 48 2.967 -5.456 1.693 355 1HA GLY 48 2HA GLY 48 3.961 -7.875 0.528 356 2HA GLY 48 1HA GLY 48 3.867 -7.511 2.244 357 H PHE 49 H PHE 49 3.014 -9.781 0.252 358 HA PHE 49 HA PHE 49 0.256 -10.095 1.178 359 1HB PHE 49 2HB PHE 49 1.822 -11.179 -1.120 360 2HB PHE 49 1HB PHE 49 0.428 -12.075 -0.536 361 HD1 PHE 49 1HD PHE 49 -1.025 -11.834 -2.341 362 HD2 PHE 49 2HD PHE 49 0.799 -8.406 -0.619 363 HE1 PHE 49 1HE PHE 49 -2.533 -10.392 -3.639 364 HE2 PHE 49 2HE PHE 49 -0.688 -6.948 -1.909 365 HZ PHE 49 HZ PHE 49 -2.364 -7.940 -3.430 366 H THR 50 H THR 50 -0.368 -11.659 2.507 367 HA THR 50 HA THR 50 1.527 -13.819 3.161 368 HB THR 50 HB THR 50 1.379 -12.031 4.977 369 HG1 THR 50 1HG THR 50 2.039 -14.193 5.384 370 1HG2 THR 50 1HG2 THR 50 -0.492 -11.625 6.159 371 2HG2 THR 50 2HG2 THR 50 -1.116 -13.265 5.944 372 3HG2 THR 50 3HG2 THR 50 -1.266 -12.084 4.642 373 H PHE 51 H PHE 51 0.277 -15.663 4.320 374 HA PHE 51 HA PHE 51 -2.290 -15.966 2.943 375 1HB PHE 51 2HB PHE 51 -0.527 -18.246 3.826 376 2HB PHE 51 1HB PHE 51 -1.818 -18.260 2.629 377 HD1 PHE 51 1HD PHE 51 -1.500 -16.871 0.526 378 HD2 PHE 51 2HD PHE 51 1.678 -17.835 3.180 379 HE1 PHE 51 1HE PHE 51 0.134 -16.292 -1.226 380 HE2 PHE 51 2HE PHE 51 3.319 -17.273 1.438 381 HZ PHE 51 HZ PHE 51 2.548 -16.493 -0.768 382 H ASP 52 H ASP 52 -3.704 -15.330 4.367 383 HA ASP 52 HA ASP 52 -3.701 -16.526 7.058 384 1HB ASP 52 2HB ASP 52 -3.426 -14.168 7.235 385 2HB ASP 52 1HB ASP 52 -4.684 -13.867 6.042 386 H GLU 53 H GLU 53 -5.039 -18.187 7.103 387 HA GLU 53 HA GLU 53 -7.296 -18.452 5.391 388 1HB GLU 53 2HB GLU 53 -5.731 -20.157 6.952 389 2HB GLU 53 1HB GLU 53 -7.345 -20.252 7.643 390 1HG GLU 53 2HG GLU 53 -7.523 -20.365 4.801 391 2HG GLU 53 1HG GLU 53 -6.353 -21.550 5.367 392 H LYS 54 H LYS 54 -6.869 -17.303 8.670 393 HA LYS 54 HA LYS 54 -9.481 -17.668 9.591 394 1HB LYS 54 2HB LYS 54 -8.891 -15.427 10.921 395 2HB LYS 54 1HB LYS 54 -8.236 -17.000 11.360 396 1HG LYS 54 2HG LYS 54 -6.519 -15.811 9.427 397 2HG LYS 54 1HG LYS 54 -6.845 -14.632 10.690 398 1HD LYS 54 2HD LYS 54 -5.097 -15.703 11.670 399 2HD LYS 54 1HD LYS 54 -6.397 -16.754 12.231 400 1HE LYS 54 2HE LYS 54 -5.977 -18.189 10.219 401 2HE LYS 54 1HE LYS 54 -4.548 -17.208 9.900 402 1HZ LYS 54 1HZ LYS 54 -3.978 -19.211 11.114 403 2HZ LYS 54 2HZ LYS 54 -5.048 -18.801 12.357 404 3HZ LYS 54 3HZ LYS 54 -3.680 -17.848 12.070 405 H VAL 55 H VAL 55 -8.640 -14.285 9.304 406 HA VAL 55 HA VAL 55 -9.904 -13.486 7.031 407 HB VAL 55 HB VAL 55 -11.909 -14.664 7.820 408 1HG1 VAL 55 1HG1 VAL 55 -11.946 -12.570 9.976 409 2HG1 VAL 55 2HG1 VAL 55 -11.675 -14.302 10.205 410 3HG1 VAL 55 3HG1 VAL 55 -13.217 -13.718 9.607 411 1HG2 VAL 55 1HG2 VAL 55 -13.467 -12.893 7.293 412 2HG2 VAL 55 2HG2 VAL 55 -12.046 -12.777 6.259 413 3HG2 VAL 55 3HG2 VAL 55 -12.232 -11.681 7.628 414 H ASN 56 H ASN 56 -9.078 -12.823 10.294 415 HA ASN 56 HA ASN 56 -8.689 -10.892 11.435 416 1HB ASN 56 2HB ASN 56 -7.901 -10.086 8.632 417 2HB ASN 56 1HB ASN 56 -7.577 -9.099 10.057 418 1HD2 ASN 56 1HD2 ASN 56 -7.282 -12.514 9.148 419 2HD2 ASN 56 2HD2 ASN 56 -5.674 -12.705 9.742 420 H ASP 57 H ASP 57 -10.742 -10.406 12.113 421 HA ASP 57 HA ASP 57 -12.858 -9.377 10.727 422 1HB ASP 57 2HB ASP 57 -11.951 -9.131 13.529 423 2HB ASP 57 1HB ASP 57 -13.188 -8.001 13.012 424 H GLY 58 H GLY 58 -10.163 -7.460 12.077 425 1HA GLY 58 2HA GLY 58 -11.253 -5.036 10.892 426 2HA GLY 58 1HA GLY 58 -9.798 -5.156 11.874 427 H ASP 59 H ASP 59 -10.926 -6.698 8.875 428 HA ASP 59 HA ASP 59 -8.853 -5.440 7.290 429 1HB ASP 59 2HB ASP 59 -8.433 -8.140 8.394 430 2HB ASP 59 1HB ASP 59 -8.321 -8.084 6.642 431 H LEU 60 H LEU 60 -9.977 -4.911 5.506 432 HA LEU 60 HA LEU 60 -12.390 -6.115 4.746 433 1HB LEU 60 2HB LEU 60 -10.535 -4.678 2.855 434 2HB LEU 60 1HB LEU 60 -12.277 -4.838 2.730 435 HG LEU 60 HG LEU 60 -10.671 -3.012 4.462 436 1HD1 LEU 60 1HD1 LEU 60 -11.428 -1.898 2.600 437 2HD1 LEU 60 2HD1 LEU 60 -12.723 -1.574 3.748 438 3HD1 LEU 60 3HD1 LEU 60 -12.924 -2.825 2.521 439 1HD2 LEU 60 1HD2 LEU 60 -12.782 -2.546 5.739 440 2HD2 LEU 60 2HD2 LEU 60 -11.988 -4.071 6.128 441 3HD2 LEU 60 3HD2 LEU 60 -13.417 -4.061 5.094 442 H THR 61 H THR 61 -12.863 -7.544 2.948 443 HA THR 61 HA THR 61 -10.540 -9.066 2.036 444 HB THR 61 HB THR 61 -11.306 -11.099 2.752 445 HG1 THR 61 1HG THR 61 -13.513 -11.509 3.191 446 1HG2 THR 61 1HG2 THR 61 -11.701 -11.001 4.984 447 2HG2 THR 61 2HG2 THR 61 -12.865 -9.682 4.836 448 3HG2 THR 61 3HG2 THR 61 -11.136 -9.354 4.708 449 H ILE 62 H ILE 62 -10.469 -9.517 0.003 450 HA ILE 62 HA ILE 62 -12.910 -9.389 -1.640 451 HB ILE 62 HB ILE 62 -10.923 -9.105 -3.461 452 1HG1 ILE 62 2HG1 ILE 62 -9.245 -8.966 -1.573 453 2HG1 ILE 62 1HG1 ILE 62 -9.208 -7.629 -2.715 454 1HG2 ILE 62 1HG2 ILE 62 -13.023 -7.600 -2.508 455 2HG2 ILE 62 2HG2 ILE 62 -12.044 -7.256 -3.933 456 3HG2 ILE 62 3HG2 ILE 62 -11.641 -6.512 -2.389 457 1HD1 ILE 62 1HD1 ILE 62 -9.277 -6.286 -0.954 458 2HD1 ILE 62 2HD1 ILE 62 -9.666 -7.619 0.134 459 3HD1 ILE 62 3HD1 ILE 62 -10.955 -6.785 -0.735 460 H GLU 63 H GLU 63 -13.404 -11.320 -2.649 461 HA GLU 63 HA GLU 63 -11.949 -13.647 -2.103 462 1HB GLU 63 2HB GLU 63 -14.374 -13.429 -2.845 463 2HB GLU 63 1HB GLU 63 -13.753 -13.339 -4.484 464 1HG GLU 63 2HG GLU 63 -12.886 -15.530 -4.380 465 2HG GLU 63 1HG GLU 63 -13.116 -15.612 -2.634 466 H LYS 64 H LYS 64 -10.716 -15.029 -3.478 467 HA LYS 64 HA LYS 64 -9.297 -13.556 -5.591 468 1HB LYS 64 2HB LYS 64 -8.265 -15.766 -3.807 469 2HB LYS 64 1HB LYS 64 -7.355 -15.006 -5.112 470 1HG LYS 64 2HG LYS 64 -7.677 -12.821 -3.908 471 2HG LYS 64 1HG LYS 64 -8.312 -13.747 -2.555 472 1HD LYS 64 2HD LYS 64 -6.081 -13.453 -1.990 473 2HD LYS 64 1HD LYS 64 -6.088 -15.061 -2.702 474 1HE LYS 64 2HE LYS 64 -4.292 -14.157 -3.784 475 2HE LYS 64 1HE LYS 64 -5.573 -13.715 -4.908 476 1HZ LYS 64 1HZ LYS 64 -4.676 -11.911 -2.742 477 2HZ LYS 64 2HZ LYS 64 -5.600 -11.525 -4.106 478 3HZ LYS 64 3HZ LYS 64 -3.961 -11.908 -4.276 479 H SER 65 H SER 65 -8.179 -15.079 -7.160 480 HA SER 65 HA SER 65 -10.006 -16.330 -8.760 481 1HB SER 65 2HB SER 65 -7.286 -15.847 -8.852 482 2HB SER 65 1HB SER 65 -7.387 -17.605 -8.929 483 HG SER 65 HG SER 65 -8.698 -15.740 -10.625 484 H GLY 66 H GLY 66 -7.996 -17.811 -6.249 485 1HA GLY 66 2HA GLY 66 -9.755 -20.177 -6.399 486 2HA GLY 66 1HA GLY 66 -8.010 -20.364 -6.332 487 H VAL 67 H VAL 67 -8.997 -17.728 -4.487 488 HA VAL 67 HA VAL 67 -9.605 -19.220 -2.081 489 HB VAL 67 HB VAL 67 -7.716 -18.486 -0.789 490 1HG1 VAL 67 1HG1 VAL 67 -7.513 -20.574 -2.096 491 2HG1 VAL 67 2HG1 VAL 67 -5.963 -19.805 -1.769 492 3HG1 VAL 67 3HG1 VAL 67 -6.699 -19.658 -3.364 493 1HG2 VAL 67 1HG2 VAL 67 -6.011 -17.089 -1.526 494 2HG2 VAL 67 2HG2 VAL 67 -7.452 -16.355 -2.225 495 3HG2 VAL 67 3HG2 VAL 67 -6.399 -17.352 -3.225 496 H GLN 68 H GLN 68 -8.556 -16.873 -0.460 497 HA GLN 68 HA GLN 68 -10.431 -14.794 -1.332 498 1HB GLN 68 2HB GLN 68 -10.680 -16.496 0.995 499 2HB GLN 68 1HB GLN 68 -10.563 -14.807 1.469 500 1HG GLN 68 2HG GLN 68 -12.397 -15.333 -0.758 501 2HG GLN 68 1HG GLN 68 -12.849 -16.067 0.777 502 1HE2 GLN 68 1HE2 GLN 68 -11.111 -13.060 0.283 503 2HE2 GLN 68 2HE2 GLN 68 -12.309 -12.036 0.970 504 H LEU 69 H LEU 69 -9.706 -12.743 -1.070 505 HA LEU 69 HA LEU 69 -7.048 -12.420 0.141 506 1HB LEU 69 2HB LEU 69 -7.097 -11.734 -2.138 507 2HB LEU 69 1HB LEU 69 -8.554 -10.798 -1.897 508 HG LEU 69 HG LEU 69 -7.418 -9.053 -0.843 509 1HD1 LEU 69 1HD1 LEU 69 -5.925 -9.539 0.731 510 2HD1 LEU 69 2HD1 LEU 69 -4.751 -9.797 -0.557 511 3HD1 LEU 69 3HD1 LEU 69 -5.671 -11.153 0.074 512 1HD2 LEU 69 1HD2 LEU 69 -5.741 -8.406 -2.383 513 2HD2 LEU 69 2HD2 LEU 69 -6.896 -9.392 -3.285 514 3HD2 LEU 69 3HD2 LEU 69 -5.361 -10.086 -2.760 515 H VAL 70 H VAL 70 -6.696 -11.027 1.830 516 HA VAL 70 HA VAL 70 -8.842 -9.239 2.650 517 HB VAL 70 HB VAL 70 -9.404 -10.235 4.574 518 1HG1 VAL 70 1HG1 VAL 70 -8.006 -12.467 3.146 519 2HG1 VAL 70 2HG1 VAL 70 -9.735 -12.138 3.275 520 3HG1 VAL 70 3HG1 VAL 70 -8.842 -12.727 4.676 521 1HG2 VAL 70 1HG2 VAL 70 -7.871 -11.230 6.181 522 2HG2 VAL 70 2HG2 VAL 70 -7.290 -9.649 5.661 523 3HG2 VAL 70 3HG2 VAL 70 -6.555 -11.116 5.015 524 H ILE 71 H ILE 71 -7.857 -7.309 2.637 525 HA ILE 71 HA ILE 71 -5.090 -7.170 3.603 526 HB ILE 71 HB ILE 71 -4.707 -5.280 2.336 527 1HG1 ILE 71 2HG1 ILE 71 -6.515 -3.868 3.070 528 2HG1 ILE 71 1HG1 ILE 71 -6.516 -3.897 1.311 529 1HG2 ILE 71 1HG2 ILE 71 -5.427 -7.429 1.048 530 2HG2 ILE 71 2HG2 ILE 71 -5.130 -5.926 0.176 531 3HG2 ILE 71 3HG2 ILE 71 -6.782 -6.427 0.532 532 1HD1 ILE 71 1HD1 ILE 71 -8.393 -5.351 1.262 533 2HD1 ILE 71 2HD1 ILE 71 -8.762 -4.031 2.372 534 3HD1 ILE 71 3HD1 ILE 71 -8.304 -5.613 3.005 535 H ASP 72 H ASP 72 -4.523 -5.005 4.663 536 HA ASP 72 HA ASP 72 -6.353 -4.704 6.916 537 1HB ASP 72 2HB ASP 72 -4.444 -3.582 8.030 538 2HB ASP 72 1HB ASP 72 -4.054 -5.210 7.472 539 HA PRO 73 HA PRO 73 -8.189 -0.808 6.070 540 1HB PRO 73 2HB PRO 73 -7.032 -0.057 8.727 541 2HB PRO 73 1HB PRO 73 -8.670 0.191 8.107 542 1HG PRO 73 2HG PRO 73 -8.142 -1.783 9.817 543 2HG PRO 73 1HG PRO 73 -9.284 -2.008 8.481 544 1HD PRO 73 2HD PRO 73 -6.543 -3.078 8.813 545 2HD PRO 73 1HD PRO 73 -7.913 -3.740 7.905 546 H MET 74 H MET 74 -4.927 -0.746 7.479 547 HA MET 74 HA MET 74 -4.247 1.845 6.762 548 1HB MET 74 2HB MET 74 -2.624 1.037 8.127 549 2HB MET 74 1HB MET 74 -2.811 -0.605 7.539 550 1HG MET 74 2HG MET 74 -1.211 -0.373 5.961 551 2HG MET 74 1HG MET 74 -1.521 1.345 5.719 552 1HE MET 74 1HE MET 74 -0.409 3.235 6.929 553 2HE MET 74 2HE MET 74 0.495 3.099 8.437 554 3HE MET 74 3HE MET 74 -1.240 2.783 8.418 555 H SER 75 H SER 75 -3.954 -1.178 4.979 556 HA SER 75 HA SER 75 -2.857 0.091 2.653 557 1HB SER 75 2HB SER 75 -2.742 -2.438 3.472 558 2HB SER 75 1HB SER 75 -4.197 -2.573 2.484 559 HG SER 75 HG SER 75 -2.284 -2.993 1.289 560 H LEU 76 H LEU 76 -6.033 -0.750 3.850 561 HA LEU 76 HA LEU 76 -7.628 -0.819 1.667 562 1HB LEU 76 2HB LEU 76 -8.961 -1.029 3.439 563 2HB LEU 76 1HB LEU 76 -7.956 -0.002 4.432 564 HG LEU 76 HG LEU 76 -9.839 1.164 2.399 565 1HD1 LEU 76 1HD1 LEU 76 -11.245 -0.175 3.747 566 2HD1 LEU 76 2HD1 LEU 76 -11.372 1.471 4.377 567 3HD1 LEU 76 3HD1 LEU 76 -10.366 0.279 5.206 568 1HD2 LEU 76 1HD2 LEU 76 -9.659 2.791 4.615 569 2HD2 LEU 76 2HD2 LEU 76 -8.780 3.002 3.104 570 3HD2 LEU 76 3HD2 LEU 76 -8.034 2.141 4.449 571 H GLN 77 H GLN 77 -6.387 2.136 3.159 572 HA GLN 77 HA GLN 77 -7.629 3.760 1.149 573 1HB GLN 77 2HB GLN 77 -7.292 5.519 2.506 574 2HB GLN 77 1HB GLN 77 -7.013 4.277 3.714 575 1HG GLN 77 2HG GLN 77 -4.561 4.882 2.340 576 2HG GLN 77 1HG GLN 77 -5.305 6.356 2.952 577 1HE2 GLN 77 1HE2 GLN 77 -5.167 3.035 4.143 578 2HE2 GLN 77 2HE2 GLN 77 -4.498 3.428 5.682 579 H TYR 78 H TYR 78 -4.638 2.144 1.527 580 HA TYR 78 HA TYR 78 -3.173 3.861 -0.259 581 1HB TYR 78 2HB TYR 78 -2.563 1.224 1.056 582 2HB TYR 78 1HB TYR 78 -1.483 1.939 -0.140 583 HD1 TYR 78 1HD TYR 78 -3.384 3.361 2.751 584 HD2 TYR 78 2HD TYR 78 0.395 2.758 0.899 585 HE1 TYR 78 1HE TYR 78 -2.309 4.655 4.540 586 HE2 TYR 78 2HE TYR 78 1.482 4.058 2.678 587 HH TYR 78 HH TYR 78 -0.298 5.913 4.949 588 H LEU 79 H LEU 79 -4.777 0.725 -0.397 589 HA LEU 79 HA LEU 79 -3.999 0.394 -3.174 590 1HB LEU 79 2HB LEU 79 -4.916 -1.824 -3.052 591 2HB LEU 79 1HB LEU 79 -3.813 -1.523 -1.741 592 HG LEU 79 HG LEU 79 -6.232 -2.757 -1.535 593 1HD1 LEU 79 1HD1 LEU 79 -4.308 -1.510 0.304 594 2HD1 LEU 79 2HD1 LEU 79 -4.870 -3.180 0.197 595 3HD1 LEU 79 3HD1 LEU 79 -5.872 -1.958 0.977 596 1HD2 LEU 79 1HD2 LEU 79 -7.668 -1.292 -0.187 597 2HD2 LEU 79 2HD2 LEU 79 -7.535 -0.747 -1.855 598 3HD2 LEU 79 3HD2 LEU 79 -6.627 0.071 -0.584 599 H ILE 80 H ILE 80 -6.676 1.645 -1.526 600 HA ILE 80 HA ILE 80 -8.992 1.205 -2.499 601 HB ILE 80 HB ILE 80 -9.584 3.490 -2.795 602 1HG1 ILE 80 2HG1 ILE 80 -7.902 4.174 -4.398 603 2HG1 ILE 80 1HG1 ILE 80 -7.870 5.271 -3.020 604 1HG2 ILE 80 1HG2 ILE 80 -9.068 2.895 -0.531 605 2HG2 ILE 80 2HG2 ILE 80 -8.511 4.542 -0.833 606 3HG2 ILE 80 3HG2 ILE 80 -7.355 3.212 -0.803 607 1HD1 ILE 80 1HD1 ILE 80 -5.940 4.021 -2.133 608 2HD1 ILE 80 2HD1 ILE 80 -5.630 4.763 -3.702 609 3HD1 ILE 80 3HD1 ILE 80 -5.952 3.035 -3.589 610 H GLY 81 H GLY 81 -9.964 0.559 -4.208 611 1HA GLY 81 2HA GLY 81 -10.213 -0.205 -6.375 612 2HA GLY 81 1HA GLY 81 -10.372 1.527 -6.619 613 H GLY 82 H GLY 82 -7.316 -0.087 -5.829 614 1HA GLY 82 2HA GLY 82 -6.198 0.992 -8.296 615 2HA GLY 82 1HA GLY 82 -5.300 0.211 -6.999 616 H THR 83 H THR 83 -4.152 -1.115 -8.465 617 HA THR 83 HA THR 83 -5.624 -3.498 -9.234 618 HB THR 83 HB THR 83 -4.234 -1.715 -11.221 619 HG1 THR 83 1HG THR 83 -6.174 -1.990 -12.328 620 1HG2 THR 83 1HG2 THR 83 -3.374 -3.507 -12.220 621 2HG2 THR 83 2HG2 THR 83 -5.037 -3.896 -12.665 622 3HG2 THR 83 3HG2 THR 83 -4.315 -4.623 -11.225 623 H VAL 84 H VAL 84 -4.414 -5.313 -8.994 624 HA VAL 84 HA VAL 84 -1.503 -4.972 -8.720 625 HB VAL 84 HB VAL 84 -1.532 -5.564 -6.596 626 1HG1 VAL 84 1HG1 VAL 84 -3.900 -4.679 -6.641 627 2HG1 VAL 84 2HG1 VAL 84 -3.452 -5.713 -5.289 628 3HG1 VAL 84 3HG1 VAL 84 -4.411 -6.365 -6.616 629 1HG2 VAL 84 1HG2 VAL 84 -1.093 -7.787 -7.286 630 2HG2 VAL 84 2HG2 VAL 84 -2.801 -8.100 -7.574 631 3HG2 VAL 84 3HG2 VAL 84 -2.213 -7.864 -5.929 632 H ASP 85 H ASP 85 -0.211 -6.742 -9.243 633 HA ASP 85 HA ASP 85 -1.451 -9.116 -10.315 634 1HB ASP 85 2HB ASP 85 0.009 -8.812 -12.464 635 2HB ASP 85 1HB ASP 85 -1.562 -8.020 -12.353 636 H TYR 86 H TYR 86 -0.097 -10.880 -10.365 637 HA TYR 86 HA TYR 86 2.611 -10.434 -9.299 638 1HB TYR 86 2HB TYR 86 0.499 -11.920 -8.221 639 2HB TYR 86 1HB TYR 86 1.611 -13.113 -8.870 640 HD1 TYR 86 1HD TYR 86 4.199 -12.436 -8.300 641 HD2 TYR 86 2HD TYR 86 0.765 -11.422 -6.010 642 HE1 TYR 86 1HE TYR 86 5.614 -12.219 -6.301 643 HE2 TYR 86 2HE TYR 86 2.162 -11.192 -3.996 644 HH TYR 86 HH TYR 86 5.015 -10.646 -3.793 645 H THR 87 H THR 87 4.299 -11.557 -10.190 646 HA THR 87 HA THR 87 3.789 -13.532 -12.246 647 HB THR 87 HB THR 87 5.254 -10.965 -12.864 648 HG1 THR 87 1HG THR 87 2.898 -12.041 -14.008 649 1HG2 THR 87 1HG2 THR 87 5.817 -11.754 -14.950 650 2HG2 THR 87 2HG2 THR 87 4.640 -13.065 -14.886 651 3HG2 THR 87 3HG2 THR 87 6.117 -13.158 -13.925 652 H GLU 88 H GLU 88 4.867 -14.974 -10.900 653 HA GLU 88 HA GLU 88 7.697 -14.406 -10.365 654 1HB GLU 88 2HB GLU 88 7.628 -16.091 -8.676 655 2HB GLU 88 1HB GLU 88 6.199 -15.089 -8.463 656 1HG GLU 88 2HG GLU 88 5.022 -16.891 -9.896 657 2HG GLU 88 1HG GLU 88 6.410 -17.891 -9.464 658 H GLY 89 H GLY 89 9.191 -16.314 -10.563 659 1HA GLY 89 2HA GLY 89 9.145 -18.632 -11.710 660 2HA GLY 89 1HA GLY 89 8.604 -17.692 -13.098 661 H LEU 90 H LEU 90 10.110 -16.984 -14.453 662 HA LEU 90 HA LEU 90 12.841 -17.595 -14.074 663 1HB LEU 90 2HB LEU 90 11.210 -16.238 -16.132 664 2HB LEU 90 1HB LEU 90 12.913 -15.805 -16.098 665 HG LEU 90 HG LEU 90 13.589 -18.040 -16.550 666 1HD1 LEU 90 1HD1 LEU 90 12.228 -19.378 -15.207 667 2HD1 LEU 90 2HD1 LEU 90 11.774 -19.817 -16.854 668 3HD1 LEU 90 3HD1 LEU 90 10.745 -18.737 -15.913 669 1HD2 LEU 90 1HD2 LEU 90 12.193 -18.564 -18.628 670 2HD2 LEU 90 2HD2 LEU 90 13.006 -17.000 -18.563 671 3HD2 LEU 90 3HD2 LEU 90 11.279 -17.110 -18.225 672 H GLU 91 H GLU 91 11.432 -14.370 -14.604 673 HA GLU 91 HA GLU 91 13.649 -12.944 -13.672 674 1HB GLU 91 2HB GLU 91 10.762 -12.051 -13.625 675 2HB GLU 91 1HB GLU 91 12.182 -11.008 -13.599 676 1HG GLU 91 2HG GLU 91 12.590 -11.271 -15.819 677 2HG GLU 91 1HG GLU 91 11.902 -12.894 -15.869 678 H GLY 92 H GLY 92 11.211 -14.644 -11.943 679 1HA GLY 92 2HA GLY 92 11.583 -15.169 -9.626 680 2HA GLY 92 1HA GLY 92 12.314 -13.577 -9.429 681 H SER 93 H SER 93 10.245 -14.670 -7.798 682 HA SER 93 HA SER 93 7.685 -13.802 -8.484 683 1HB SER 93 2HB SER 93 8.362 -15.317 -6.546 684 2HB SER 93 1HB SER 93 8.757 -13.841 -5.665 685 HG SER 93 HG SER 93 6.281 -14.868 -6.408 686 H ARG 94 H ARG 94 7.771 -11.789 -9.423 687 HA ARG 94 HA ARG 94 8.538 -9.556 -7.671 688 1HB ARG 94 2HB ARG 94 8.341 -8.201 -9.829 689 2HB ARG 94 1HB ARG 94 9.691 -9.318 -9.710 690 1HG ARG 94 2HG ARG 94 8.883 -9.596 -11.876 691 2HG ARG 94 1HG ARG 94 8.216 -10.968 -10.985 692 1HD ARG 94 2HD ARG 94 6.106 -10.274 -11.283 693 2HD ARG 94 1HD ARG 94 6.513 -8.594 -10.935 694 HE ARG 94 HE ARG 94 7.477 -9.379 -13.490 695 1HH1 ARG 94 1HH1 ARG 94 4.575 -8.444 -11.792 696 2HH1 ARG 94 2HH1 ARG 94 3.795 -7.826 -13.209 697 1HH2 ARG 94 1HH2 ARG 94 6.453 -8.567 -15.354 698 2HH2 ARG 94 2HH2 ARG 94 4.860 -7.896 -15.232 699 H PHE 95 H PHE 95 7.050 -8.144 -6.944 700 HA PHE 95 HA PHE 95 4.273 -8.593 -7.809 701 1HB PHE 95 2HB PHE 95 4.960 -9.106 -5.393 702 2HB PHE 95 1HB PHE 95 5.100 -7.364 -5.185 703 HD1 PHE 95 1HD PHE 95 2.577 -9.218 -7.168 704 HD2 PHE 95 2HD PHE 95 3.369 -6.889 -3.693 705 HE1 PHE 95 1HE PHE 95 0.169 -9.083 -6.715 706 HE2 PHE 95 2HE PHE 95 0.959 -6.753 -3.230 707 HZ PHE 95 HZ PHE 95 -0.644 -7.844 -4.753 708 H THR 96 H THR 96 3.104 -6.949 -8.605 709 HA THR 96 HA THR 96 4.085 -4.213 -8.199 710 HB THR 96 HB THR 96 3.093 -4.737 -10.920 711 HG1 THR 96 1HG THR 96 4.384 -6.372 -11.193 712 1HG2 THR 96 1HG2 THR 96 3.921 -2.632 -10.810 713 2HG2 THR 96 2HG2 THR 96 5.381 -3.489 -11.309 714 3HG2 THR 96 3HG2 THR 96 5.150 -3.053 -9.614 715 H VAL 97 H VAL 97 2.540 -2.826 -7.726 716 HA VAL 97 HA VAL 97 -0.245 -3.482 -8.436 717 HB VAL 97 HB VAL 97 0.444 -2.056 -5.881 718 1HG1 VAL 97 1HG1 VAL 97 -1.963 -3.458 -6.982 719 2HG1 VAL 97 2HG1 VAL 97 -1.818 -1.812 -6.358 720 3HG1 VAL 97 3HG1 VAL 97 -1.770 -3.185 -5.251 721 1HG2 VAL 97 1HG2 VAL 97 1.107 -4.754 -6.424 722 2HG2 VAL 97 2HG2 VAL 97 -0.278 -4.755 -5.335 723 3HG2 VAL 97 3HG2 VAL 97 1.190 -3.887 -4.893 724 H ASN 98 H ASN 98 -1.689 -1.514 -8.307 725 HA ASN 98 HA ASN 98 -0.319 1.028 -8.650 726 1HB ASN 98 2HB ASN 98 -2.106 -0.046 -10.839 727 2HB ASN 98 1HB ASN 98 -1.222 1.482 -10.842 728 1HD2 ASN 98 1HD2 ASN 98 -1.206 -1.576 -12.001 729 2HD2 ASN 98 2HD2 ASN 98 0.481 -1.772 -12.300 730 H ASN 99 H ASN 99 -1.777 2.855 -8.726 731 HA ASN 99 HA ASN 99 -4.558 2.661 -8.390 732 1HB ASN 99 2HB ASN 99 -4.482 3.456 -5.898 733 2HB ASN 99 1HB ASN 99 -4.380 1.735 -6.264 734 1HD2 ASN 99 1HD2 ASN 99 -3.057 0.832 -4.884 735 2HD2 ASN 99 2HD2 ASN 99 -1.519 1.444 -4.398 736 HA PRO 100 HA PRO 100 -4.555 6.987 -9.098 737 1HB PRO 100 2HB PRO 100 -6.005 7.994 -6.927 738 2HB PRO 100 1HB PRO 100 -6.681 7.421 -8.459 739 1HG PRO 100 2HG PRO 100 -6.434 6.009 -5.845 740 2HG PRO 100 1HG PRO 100 -7.727 5.921 -7.055 741 1HD PRO 100 2HD PRO 100 -5.931 3.958 -6.796 742 2HD PRO 100 1HD PRO 100 -6.542 4.435 -8.389 743 H ASN 101 H ASN 101 -3.822 6.127 -5.742 744 HA ASN 101 HA ASN 101 -2.461 8.600 -5.236 745 1HB ASN 101 2HB ASN 101 -2.651 7.995 -3.090 746 2HB ASN 101 1HB ASN 101 -3.541 6.583 -3.652 747 1HD2 ASN 101 1HD2 ASN 101 -2.036 4.756 -4.395 748 2HD2 ASN 101 2HD2 ASN 101 -0.727 4.389 -3.320 749 H ALA 102 H ALA 102 -1.528 5.396 -6.303 750 HA ALA 102 HA ALA 102 1.305 6.049 -6.049 751 1HB ALA 102 1HB ALA 102 0.544 3.805 -5.398 752 2HB ALA 102 2HB ALA 102 1.729 3.754 -6.703 753 3HB ALA 102 3HB ALA 102 0.018 3.517 -7.057 754 H THR 103 H THR 103 0.116 7.759 -7.787 755 HA THR 103 HA THR 103 0.697 6.745 -10.475 756 HB THR 103 HB THR 103 -0.325 8.981 -11.171 757 HG1 THR 103 1HG THR 103 -1.275 8.975 -8.506 758 1HG2 THR 103 1HG2 THR 103 -2.090 7.715 -11.560 759 2HG2 THR 103 2HG2 THR 103 -2.625 8.003 -9.904 760 3HG2 THR 103 3HG2 THR 103 -1.623 6.600 -10.276 761 H SER 104 H SER 104 3.017 6.763 -9.796 762 HA SER 104 HA SER 104 4.235 9.410 -9.704 763 1HB SER 104 2HB SER 104 5.206 6.625 -9.165 764 2HB SER 104 1HB SER 104 6.371 7.904 -9.505 765 HG SER 104 HG SER 104 5.374 7.391 -7.205 766 H THR 105 H THR 105 4.404 6.446 -11.664 767 HA THR 105 HA THR 105 5.509 8.078 -13.855 768 HB THR 105 HB THR 105 6.002 5.125 -13.547 769 HG1 THR 105 1HG THR 105 7.845 5.574 -12.450 770 1HG2 THR 105 1HG2 THR 105 7.386 5.279 -15.283 771 2HG2 THR 105 2HG2 THR 105 8.053 6.817 -14.737 772 3HG2 THR 105 3HG2 THR 105 6.539 6.784 -15.640 773 H CYS 106 H CYS 106 4.360 8.136 -15.671 774 HA CYS 106 HA CYS 106 2.255 6.108 -16.050 775 1HB CYS 106 2HB CYS 106 1.017 7.897 -17.305 776 2HB CYS 106 1HB CYS 106 1.201 8.211 -15.582 777 HG CYS 106 HG CYS 106 1.771 10.408 -16.766 778 H GLY 107 H GLY 107 5.021 6.021 -16.992 779 1HA GLY 107 2HA GLY 107 4.476 6.003 -19.899 780 2HA GLY 107 1HA GLY 107 6.028 6.514 -19.241 781 H CYS 108 H CYS 108 4.520 3.908 -17.593 782 HA CYS 108 HA CYS 108 6.559 2.098 -18.638 783 1HB CYS 108 2HB CYS 108 4.940 2.254 -16.152 784 2HB CYS 108 1HB CYS 108 5.388 0.646 -16.709 785 HG CYS 108 HG CYS 108 7.661 2.703 -16.305 786 H GLY 109 H GLY 109 6.129 0.296 -19.804 787 1HA GLY 109 2HA GLY 109 3.789 -1.171 -19.903 788 2HA GLY 109 1HA GLY 109 3.603 0.097 -21.111 789 H SER 110 H SER 110 5.481 0.298 -22.668 790 HA SER 110 HA SER 110 6.856 -2.233 -23.158 791 1HB SER 110 2HB SER 110 5.619 -1.013 -25.561 792 2HB SER 110 1HB SER 110 5.875 -2.712 -25.162 793 HG SER 110 HG SER 110 3.714 -2.412 -25.015 794 H SER 111 H SER 111 8.884 -1.466 -22.986 795 HA SER 111 HA SER 111 9.755 0.472 -24.985 796 1HB SER 111 2HB SER 111 9.783 0.916 -22.051 797 2HB SER 111 1HB SER 111 11.242 1.377 -22.926 798 HG SER 111 HG SER 111 10.211 3.049 -23.643 799 H PHE 112 H PHE 112 11.356 -0.474 -26.046 800 HA PHE 112 HA PHE 112 13.203 -1.710 -26.538 801 1HB PHE 112 2HB PHE 112 13.897 -1.425 -23.611 802 2HB PHE 112 1HB PHE 112 15.005 -1.764 -24.934 803 HD1 PHE 112 1HD PHE 112 13.850 0.717 -22.806 804 HD2 PHE 112 2HD PHE 112 14.902 0.072 -26.879 805 HE1 PHE 112 1HE PHE 112 14.251 3.129 -23.080 806 HE2 PHE 112 2HE PHE 112 15.306 2.484 -27.160 807 HZ PHE 112 HZ PHE 112 14.982 4.015 -25.259 808 H SER 113 H SER 113 14.611 -3.653 -25.317 809 HA SER 113 HA SER 113 12.710 -5.558 -24.185 810 1HB SER 113 2HB SER 113 14.351 -6.085 -26.671 811 2HB SER 113 1HB SER 113 13.492 -7.328 -25.760 812 HG SER 113 HG SER 113 12.455 -6.158 -27.685 813 H ILE 114 H ILE 114 13.764 -7.458 -23.284 814 HA ILE 114 HA ILE 114 15.820 -6.885 -21.562 815 HB ILE 114 HB ILE 114 16.010 -9.228 -21.105 816 1HG1 ILE 114 2HG1 ILE 114 16.162 -9.986 -23.478 817 2HG1 ILE 114 1HG1 ILE 114 15.074 -10.965 -22.502 818 1HG2 ILE 114 1HG2 ILE 114 13.305 -9.679 -21.419 819 2HG2 ILE 114 2HG2 ILE 114 13.439 -7.921 -21.389 820 3HG2 ILE 114 3HG2 ILE 114 14.081 -8.877 -20.054 821 1HD1 ILE 114 1HD1 ILE 114 13.227 -9.436 -23.445 822 2HD1 ILE 114 2HD1 ILE 114 13.915 -10.689 -24.477 823 3HD1 ILE 114 3HD1 ILE 114 14.428 -9.013 -24.665 Start of MODEL 9 1 1H MET 1 1HT MET 1 -22.442 -16.260 6.484 2 2H MET 1 2HT MET 1 -23.402 -15.884 5.113 3 3H MET 1 3HT MET 1 -23.272 -14.763 6.408 4 HA MET 1 HA MET 1 -21.053 -14.331 5.942 5 1HB MET 1 2HB MET 1 -21.360 -16.801 4.290 6 2HB MET 1 1HB MET 1 -20.186 -15.603 3.779 7 1HG MET 1 2HG MET 1 -19.545 -15.807 6.383 8 2HG MET 1 1HG MET 1 -20.154 -17.433 6.084 9 1HE MET 1 1HE MET 1 -16.107 -15.833 5.147 10 2HE MET 1 2HE MET 1 -16.858 -16.222 6.690 11 3HE MET 1 3HE MET 1 -17.478 -14.888 5.718 12 H ILE 2 H ILE 2 -20.139 -13.621 3.569 13 HA ILE 2 HA ILE 2 -22.324 -12.043 2.437 14 HB ILE 2 HB ILE 2 -19.643 -11.476 1.416 15 1HG1 ILE 2 2HG1 ILE 2 -18.931 -12.101 3.653 16 2HG1 ILE 2 1HG1 ILE 2 -18.863 -10.348 3.479 17 1HG2 ILE 2 1HG2 ILE 2 -21.987 -10.178 1.488 18 2HG2 ILE 2 2HG2 ILE 2 -20.430 -9.367 1.311 19 3HG2 ILE 2 3HG2 ILE 2 -21.199 -9.460 2.894 20 1HD1 ILE 2 1HD1 ILE 2 -19.876 -10.427 5.489 21 2HD1 ILE 2 2HD1 ILE 2 -20.576 -12.021 5.199 22 3HD1 ILE 2 3HD1 ILE 2 -21.320 -10.588 4.493 23 H ASP 3 H ASP 3 -21.082 -11.455 -0.019 24 HA ASP 3 HA ASP 3 -20.446 -13.798 -1.488 25 1HB ASP 3 2HB ASP 3 -22.511 -13.902 -2.868 26 2HB ASP 3 1HB ASP 3 -22.792 -14.342 -1.183 27 H ASP 4 H ASP 4 -21.741 -10.517 -1.553 28 HA ASP 4 HA ASP 4 -21.154 -9.896 -4.215 29 1HB ASP 4 2HB ASP 4 -22.550 -8.546 -2.563 30 2HB ASP 4 1HB ASP 4 -21.022 -7.926 -1.934 31 H MET 5 H MET 5 -19.250 -9.375 -1.265 32 HA MET 5 HA MET 5 -17.050 -8.838 -0.946 33 1HB MET 5 2HB MET 5 -16.854 -10.750 -3.273 34 2HB MET 5 1HB MET 5 -15.480 -10.236 -2.302 35 1HG MET 5 2HG MET 5 -17.824 -11.374 -0.893 36 2HG MET 5 1HG MET 5 -16.798 -12.473 -1.811 37 1HE MET 5 1HE MET 5 -15.642 -9.228 0.557 38 2HE MET 5 2HE MET 5 -15.868 -10.204 2.013 39 3HE MET 5 3HE MET 5 -17.210 -9.963 0.898 40 H ALA 6 H ALA 6 -14.873 -8.396 -2.446 41 HA ALA 6 HA ALA 6 -13.829 -6.973 -3.895 42 1HB ALA 6 1HB ALA 6 -16.451 -6.292 -5.164 43 2HB ALA 6 2HB ALA 6 -15.634 -7.814 -5.498 44 3HB ALA 6 3HB ALA 6 -14.846 -6.283 -5.875 45 H VAL 7 H VAL 7 -13.679 -5.853 -1.778 46 HA VAL 7 HA VAL 7 -15.406 -3.570 -1.438 47 HB VAL 7 HB VAL 7 -13.133 -3.635 0.385 48 1HG1 VAL 7 1HG1 VAL 7 -15.327 -2.403 0.581 49 2HG1 VAL 7 2HG1 VAL 7 -14.793 -3.281 2.015 50 3HG1 VAL 7 3HG1 VAL 7 -16.056 -3.961 0.987 51 1HG2 VAL 7 1HG2 VAL 7 -13.140 -6.011 0.107 52 2HG2 VAL 7 2HG2 VAL 7 -14.899 -6.073 0.207 53 3HG2 VAL 7 3HG2 VAL 7 -13.944 -5.647 1.629 54 HA PRO 8 HA PRO 8 -11.628 -1.062 -2.478 55 1HB PRO 8 2HB PRO 8 -9.303 -1.594 -1.438 56 2HB PRO 8 1HB PRO 8 -10.692 -1.510 -0.350 57 1HG PRO 8 2HG PRO 8 -9.277 -3.918 -1.420 58 2HG PRO 8 1HG PRO 8 -9.963 -3.647 0.193 59 1HD PRO 8 2HD PRO 8 -11.216 -4.914 -2.060 60 2HD PRO 8 1HD PRO 8 -11.931 -4.579 -0.472 61 H LEU 9 H LEU 9 -8.684 -2.219 -2.763 62 HA LEU 9 HA LEU 9 -8.413 -2.063 -5.509 63 1HB LEU 9 2HB LEU 9 -6.663 -1.760 -3.760 64 2HB LEU 9 1HB LEU 9 -6.638 -3.495 -3.531 65 HG LEU 9 HG LEU 9 -4.933 -3.534 -4.965 66 1HD1 LEU 9 1HD1 LEU 9 -6.445 -4.402 -6.540 67 2HD1 LEU 9 2HD1 LEU 9 -5.433 -3.247 -7.395 68 3HD1 LEU 9 3HD1 LEU 9 -7.069 -2.802 -6.931 69 1HD2 LEU 9 1HD2 LEU 9 -4.444 -1.525 -6.483 70 2HD2 LEU 9 2HD2 LEU 9 -4.276 -1.321 -4.741 71 3HD2 LEU 9 3HD2 LEU 9 -5.707 -0.715 -5.566 72 H THR 10 H THR 10 -8.697 -3.441 -7.138 73 HA THR 10 HA THR 10 -9.236 -6.262 -6.545 74 HB THR 10 HB THR 10 -9.800 -4.570 -8.982 75 HG1 THR 10 1HG THR 10 -11.285 -4.370 -7.269 76 1HG2 THR 10 1HG2 THR 10 -9.466 -7.410 -8.841 77 2HG2 THR 10 2HG2 THR 10 -9.834 -6.388 -10.233 78 3HG2 THR 10 3HG2 THR 10 -11.142 -7.007 -9.222 79 H PHE 11 H PHE 11 -7.648 -7.665 -6.864 80 HA PHE 11 HA PHE 11 -5.253 -6.866 -8.310 81 1HB PHE 11 2HB PHE 11 -4.210 -8.753 -7.292 82 2HB PHE 11 1HB PHE 11 -5.210 -8.007 -6.055 83 HD1 PHE 11 1HD PHE 11 -4.552 -10.899 -8.017 84 HD2 PHE 11 2HD PHE 11 -7.396 -9.047 -5.474 85 HE1 PHE 11 1HE PHE 11 -5.660 -13.059 -7.718 86 HE2 PHE 11 2HE PHE 11 -8.535 -11.211 -5.155 87 HZ PHE 11 HZ PHE 11 -7.667 -13.213 -6.294 88 H THR 12 H THR 12 -4.195 -8.936 -9.474 89 HA THR 12 HA THR 12 -5.963 -9.456 -11.717 90 HB THR 12 HB THR 12 -3.485 -8.845 -11.876 91 HG1 THR 12 1HG THR 12 -3.501 -10.996 -13.437 92 1HG2 THR 12 1HG2 THR 12 -1.860 -10.565 -11.779 93 2HG2 THR 12 2HG2 THR 12 -3.080 -11.783 -11.428 94 3HG2 THR 12 3HG2 THR 12 -2.704 -10.549 -10.230 95 H ASP 13 H ASP 13 -4.910 -11.957 -12.560 96 HA ASP 13 HA ASP 13 -6.442 -13.720 -10.817 97 1HB ASP 13 2HB ASP 13 -5.219 -14.192 -13.540 98 2HB ASP 13 1HB ASP 13 -6.246 -15.332 -12.675 99 H ALA 14 H ALA 14 -3.221 -13.426 -12.188 100 HA ALA 14 HA ALA 14 -2.130 -15.786 -11.197 101 1HB ALA 14 1HB ALA 14 0.019 -14.850 -11.678 102 2HB ALA 14 2HB ALA 14 -0.633 -13.212 -11.628 103 3HB ALA 14 3HB ALA 14 -1.106 -14.304 -12.921 104 H ALA 15 H ALA 15 -2.352 -12.577 -9.700 105 HA ALA 15 HA ALA 15 -0.747 -13.030 -7.479 106 1HB ALA 15 1HB ALA 15 -1.503 -11.036 -6.801 107 2HB ALA 15 2HB ALA 15 -3.178 -11.581 -6.800 108 3HB ALA 15 3HB ALA 15 -2.438 -11.003 -8.298 109 H ALA 16 H ALA 16 -3.961 -14.100 -8.258 110 HA ALA 16 HA ALA 16 -4.594 -15.224 -5.699 111 1HB ALA 16 1HB ALA 16 -6.287 -14.650 -7.444 112 2HB ALA 16 2HB ALA 16 -6.416 -16.300 -6.854 113 3HB ALA 16 3HB ALA 16 -5.655 -15.976 -8.418 114 H ASN 17 H ASN 17 -3.291 -16.371 -8.732 115 HA ASN 17 HA ASN 17 -3.119 -19.086 -8.183 116 1HB ASN 17 2HB ASN 17 -1.565 -17.255 -9.994 117 2HB ASN 17 1HB ASN 17 -1.190 -18.975 -9.896 118 1HD2 ASN 17 1HD2 ASN 17 -3.884 -16.754 -10.410 119 2HD2 ASN 17 2HD2 ASN 17 -4.694 -17.734 -11.579 120 H LYS 18 H LYS 18 -0.763 -16.485 -7.555 121 HA LYS 18 HA LYS 18 1.334 -18.107 -6.677 122 1HB LYS 18 2HB LYS 18 1.986 -15.926 -7.054 123 2HB LYS 18 1HB LYS 18 0.551 -15.256 -6.296 124 1HG LYS 18 2HG LYS 18 2.682 -16.635 -4.699 125 2HG LYS 18 1HG LYS 18 2.780 -14.922 -5.115 126 1HD LYS 18 2HD LYS 18 0.172 -15.413 -4.131 127 2HD LYS 18 1HD LYS 18 1.310 -16.175 -3.018 128 1HE LYS 18 2HE LYS 18 1.616 -14.171 -2.110 129 2HE LYS 18 1HE LYS 18 2.430 -13.695 -3.601 130 1HZ LYS 18 1HZ LYS 18 0.633 -12.180 -2.985 131 2HZ LYS 18 2HZ LYS 18 -0.484 -13.441 -3.096 132 3HZ LYS 18 3HZ LYS 18 0.339 -12.918 -4.477 133 H VAL 19 H VAL 19 -1.576 -17.012 -5.111 134 HA VAL 19 HA VAL 19 -0.754 -17.797 -2.471 135 HB VAL 19 HB VAL 19 -3.485 -17.076 -3.541 136 1HG1 VAL 19 1HG1 VAL 19 -2.576 -18.004 -0.928 137 2HG1 VAL 19 2HG1 VAL 19 -4.203 -17.927 -1.598 138 3HG1 VAL 19 3HG1 VAL 19 -3.485 -16.494 -0.857 139 1HG2 VAL 19 1HG2 VAL 19 -1.757 -15.291 -3.711 140 2HG2 VAL 19 2HG2 VAL 19 -1.569 -15.370 -1.959 141 3HG2 VAL 19 3HG2 VAL 19 -3.110 -14.881 -2.658 142 H LYS 20 H LYS 20 -3.515 -18.861 -4.423 143 HA LYS 20 HA LYS 20 -4.096 -21.182 -3.065 144 1HB LYS 20 2HB LYS 20 -5.082 -21.951 -5.259 145 2HB LYS 20 1HB LYS 20 -5.677 -20.433 -4.625 146 1HG LYS 20 2HG LYS 20 -5.254 -19.546 -6.607 147 2HG LYS 20 1HG LYS 20 -3.539 -19.714 -6.231 148 1HD LYS 20 2HD LYS 20 -4.188 -20.707 -8.418 149 2HD LYS 20 1HD LYS 20 -3.446 -21.855 -7.305 150 1HE LYS 20 2HE LYS 20 -5.465 -22.926 -6.870 151 2HE LYS 20 1HE LYS 20 -6.422 -21.559 -7.436 152 1HZ LYS 20 1HZ LYS 20 -6.503 -23.331 -9.037 153 2HZ LYS 20 2HZ LYS 20 -4.816 -23.395 -9.129 154 3HZ LYS 20 3HZ LYS 20 -5.644 -22.034 -9.699 155 H SER 21 H SER 21 -1.435 -20.607 -5.163 156 HA SER 21 HA SER 21 -1.095 -23.379 -5.805 157 1HB SER 21 2HB SER 21 -0.539 -21.651 -7.465 158 2HB SER 21 1HB SER 21 0.734 -21.050 -6.393 159 HG SER 21 HG SER 21 1.282 -22.634 -8.153 160 H LEU 22 H LEU 22 0.652 -20.996 -3.830 161 HA LEU 22 HA LEU 22 2.504 -23.041 -2.983 162 1HB LEU 22 2HB LEU 22 3.855 -21.387 -2.310 163 2HB LEU 22 1HB LEU 22 2.804 -20.388 -3.287 164 HG LEU 22 HG LEU 22 3.321 -19.336 -1.160 165 1HD1 LEU 22 1HD1 LEU 22 1.289 -18.629 -2.010 166 2HD1 LEU 22 2HD1 LEU 22 0.921 -19.065 -0.342 167 3HD1 LEU 22 3HD1 LEU 22 0.496 -20.152 -1.652 168 1HD2 LEU 22 1HD2 LEU 22 3.172 -20.291 0.857 169 2HD2 LEU 22 2HD2 LEU 22 3.252 -21.795 -0.044 170 3HD2 LEU 22 3HD2 LEU 22 1.684 -21.157 0.463 171 H ILE 23 H ILE 23 -0.456 -21.661 -1.863 172 HA ILE 23 HA ILE 23 -0.167 -22.453 0.842 173 HB ILE 23 HB ILE 23 -2.583 -22.084 1.004 174 1HG1 ILE 23 2HG1 ILE 23 -3.341 -20.824 -1.257 175 2HG1 ILE 23 1HG1 ILE 23 -2.287 -22.062 -1.930 176 1HG2 ILE 23 1HG2 ILE 23 -0.637 -20.120 0.003 177 2HG2 ILE 23 2HG2 ILE 23 -1.610 -20.098 1.469 178 3HG2 ILE 23 3HG2 ILE 23 -2.325 -19.629 -0.076 179 1HD1 ILE 23 1HD1 ILE 23 -3.910 -23.554 -1.752 180 2HD1 ILE 23 2HD1 ILE 23 -4.973 -22.301 -1.102 181 3HD1 ILE 23 3HD1 ILE 23 -3.991 -23.279 -0.011 182 H SER 24 H SER 24 -1.843 -23.762 -1.970 183 HA SER 24 HA SER 24 -2.858 -26.072 -0.768 184 1HB SER 24 2HB SER 24 -2.275 -25.211 -3.562 185 2HB SER 24 1HB SER 24 -2.568 -26.930 -3.272 186 HG SER 24 HG SER 24 -4.578 -26.396 -2.403 187 H GLU 25 H GLU 25 0.274 -25.130 -1.783 188 HA GLU 25 HA GLU 25 1.364 -27.779 -1.901 189 1HB GLU 25 2HB GLU 25 2.154 -25.226 -2.796 190 2HB GLU 25 1HB GLU 25 3.369 -25.739 -1.642 191 1HG GLU 25 2HG GLU 25 2.462 -27.390 -3.978 192 2HG GLU 25 1HG GLU 25 3.879 -26.338 -3.985 193 H GLU 26 H GLU 26 0.733 -25.395 0.497 194 HA GLU 26 HA GLU 26 2.764 -26.328 2.328 195 1HB GLU 26 2HB GLU 26 0.404 -24.512 2.748 196 2HB GLU 26 1HB GLU 26 1.638 -24.840 3.946 197 1HG GLU 26 2HG GLU 26 2.649 -23.924 1.357 198 2HG GLU 26 1HG GLU 26 1.661 -22.753 2.227 199 H GLU 27 H GLU 27 -0.361 -27.237 1.385 200 HA GLU 27 HA GLU 27 -1.583 -29.075 1.964 201 1HB GLU 27 2HB GLU 27 0.753 -29.858 2.975 202 2HB GLU 27 1HB GLU 27 -0.073 -29.543 4.496 203 1HG GLU 27 2HG GLU 27 -1.947 -31.024 3.493 204 2HG GLU 27 1HG GLU 27 -0.684 -31.570 2.394 205 H ASN 28 H ASN 28 -1.456 -26.189 3.210 206 HA ASN 28 HA ASN 28 -2.641 -26.269 5.737 207 1HB ASN 28 2HB ASN 28 -3.656 -24.208 3.838 208 2HB ASN 28 1HB ASN 28 -3.096 -24.021 5.491 209 1HD2 ASN 28 1HD2 ASN 28 -2.424 -23.526 2.297 210 2HD2 ASN 28 2HD2 ASN 28 -0.756 -23.136 2.436 211 H THR 29 H THR 29 -4.362 -25.540 2.722 212 HA THR 29 HA THR 29 -6.248 -27.484 2.601 213 HB THR 29 HB THR 29 -7.011 -27.298 4.806 214 HG1 THR 29 1HG THR 29 -9.077 -26.454 4.618 215 1HG2 THR 29 1HG2 THR 29 -6.681 -25.530 6.097 216 2HG2 THR 29 2HG2 THR 29 -7.714 -24.526 5.071 217 3HG2 THR 29 3HG2 THR 29 -5.993 -24.690 4.699 218 H ASP 30 H ASP 30 -6.170 -23.940 2.884 219 HA ASP 30 HA ASP 30 -6.661 -23.300 0.256 220 1HB ASP 30 2HB ASP 30 -9.056 -24.260 1.589 221 2HB ASP 30 1HB ASP 30 -9.247 -22.582 1.086 222 H LEU 31 H LEU 31 -5.056 -22.103 1.536 223 HA LEU 31 HA LEU 31 -5.637 -20.270 3.501 224 1HB LEU 31 2HB LEU 31 -3.476 -21.016 1.863 225 2HB LEU 31 1HB LEU 31 -3.557 -19.272 1.846 226 HG LEU 31 HG LEU 31 -2.084 -19.897 3.592 227 1HD1 LEU 31 1HD1 LEU 31 -3.076 -18.843 5.444 228 2HD1 LEU 31 2HD1 LEU 31 -4.691 -19.378 4.972 229 3HD1 LEU 31 3HD1 LEU 31 -3.864 -18.154 4.028 230 1HD2 LEU 31 1HD2 LEU 31 -2.241 -21.824 4.666 231 2HD2 LEU 31 2HD2 LEU 31 -3.714 -22.192 3.761 232 3HD2 LEU 31 3HD2 LEU 31 -3.810 -21.385 5.331 233 H LYS 32 H LYS 32 -5.777 -18.061 3.521 234 HA LYS 32 HA LYS 32 -6.985 -16.849 1.126 235 1HB LYS 32 2HB LYS 32 -7.439 -16.102 4.022 236 2HB LYS 32 1HB LYS 32 -8.266 -15.427 2.634 237 1HG LYS 32 2HG LYS 32 -9.667 -17.181 2.439 238 2HG LYS 32 1HG LYS 32 -8.452 -18.349 2.964 239 1HD LYS 32 2HD LYS 32 -10.337 -18.066 4.558 240 2HD LYS 32 1HD LYS 32 -8.762 -17.728 5.261 241 1HE LYS 32 2HE LYS 32 -9.376 -15.260 4.476 242 2HE LYS 32 1HE LYS 32 -11.004 -15.889 4.654 243 1HZ LYS 32 1HZ LYS 32 -10.726 -15.283 6.778 244 2HZ LYS 32 2HZ LYS 32 -9.043 -15.261 6.678 245 3HZ LYS 32 3HZ LYS 32 -9.849 -16.723 6.922 246 H LEU 33 H LEU 33 -5.737 -15.313 0.217 247 HA LEU 33 HA LEU 33 -3.310 -14.471 1.282 248 1HB LEU 33 2HB LEU 33 -4.157 -14.406 -1.127 249 2HB LEU 33 1HB LEU 33 -4.940 -12.901 -0.698 250 HG LEU 33 HG LEU 33 -2.724 -12.698 -1.870 251 1HD1 LEU 33 1HD1 LEU 33 -3.657 -11.310 0.506 252 2HD1 LEU 33 2HD1 LEU 33 -3.058 -10.673 -1.014 253 3HD1 LEU 33 3HD1 LEU 33 -1.923 -11.146 0.250 254 1HD2 LEU 33 1HD2 LEU 33 -0.859 -13.605 -1.065 255 2HD2 LEU 33 2HD2 LEU 33 -1.889 -14.531 0.026 256 3HD2 LEU 33 3HD2 LEU 33 -1.179 -13.009 0.562 257 H ARG 34 H ARG 34 -2.644 -12.585 2.284 258 HA ARG 34 HA ARG 34 -4.695 -10.693 3.123 259 1HB ARG 34 2HB ARG 34 -4.594 -12.233 4.980 260 2HB ARG 34 1HB ARG 34 -2.838 -12.141 5.010 261 1HG ARG 34 2HG ARG 34 -4.166 -9.555 5.308 262 2HG ARG 34 1HG ARG 34 -4.519 -10.704 6.599 263 1HD ARG 34 2HD ARG 34 -1.957 -11.087 6.619 264 2HD ARG 34 1HD ARG 34 -1.887 -9.552 5.755 265 HE ARG 34 HE ARG 34 -3.452 -9.473 8.170 266 1HH1 ARG 34 1HH1 ARG 34 -0.261 -9.125 6.802 267 2HH1 ARG 34 2HH1 ARG 34 0.320 -8.130 8.094 268 1HH2 ARG 34 1HH2 ARG 34 -2.690 -8.163 9.870 269 2HH2 ARG 34 2HH2 ARG 34 -1.057 -7.583 9.836 270 H VAL 35 H VAL 35 -3.882 -9.087 1.919 271 HA VAL 35 HA VAL 35 -1.110 -8.517 1.687 272 HB VAL 35 HB VAL 35 -3.339 -6.597 1.104 273 1HG1 VAL 35 1HG1 VAL 35 -1.735 -5.918 -0.719 274 2HG1 VAL 35 2HG1 VAL 35 -0.536 -6.941 0.072 275 3HG1 VAL 35 3HG1 VAL 35 -1.218 -5.558 0.928 276 1HG2 VAL 35 1HG2 VAL 35 -4.004 -8.580 0.027 277 2HG2 VAL 35 2HG2 VAL 35 -2.364 -8.921 -0.525 278 3HG2 VAL 35 3HG2 VAL 35 -3.267 -7.567 -1.210 279 H TYR 36 H TYR 36 -0.031 -6.650 2.289 280 HA TYR 36 HA TYR 36 -1.115 -5.045 4.469 281 1HB TYR 36 2HB TYR 36 1.375 -5.313 5.440 282 2HB TYR 36 1HB TYR 36 0.046 -6.350 5.944 283 HD1 TYR 36 1HD TYR 36 3.347 -6.300 4.765 284 HD2 TYR 36 2HD TYR 36 -0.271 -8.519 4.467 285 HE1 TYR 36 1HE TYR 36 4.627 -8.273 4.048 286 HE2 TYR 36 2HE TYR 36 0.996 -10.497 3.748 287 HH TYR 36 HH TYR 36 3.379 -11.359 4.019 288 H ILE 37 H ILE 37 0.795 -3.350 5.023 289 HA ILE 37 HA ILE 37 1.243 -2.060 2.469 290 HB ILE 37 HB ILE 37 1.476 -1.128 5.314 291 1HG1 ILE 37 2HG1 ILE 37 -0.750 -1.157 4.317 292 2HG1 ILE 37 1HG1 ILE 37 -0.205 0.507 4.541 293 1HG2 ILE 37 1HG2 ILE 37 2.726 0.017 2.885 294 2HG2 ILE 37 2HG2 ILE 37 3.224 0.123 4.577 295 3HG2 ILE 37 3HG2 ILE 37 1.910 1.140 3.979 296 1HD1 ILE 37 1HD1 ILE 37 -1.158 0.522 2.435 297 2HD1 ILE 37 2HD1 ILE 37 -0.498 -1.056 2.013 298 3HD1 ILE 37 3HD1 ILE 37 0.559 0.350 2.100 299 H THR 38 H THR 38 2.988 -2.457 1.356 300 HA THR 38 HA THR 38 5.604 -2.314 2.604 301 HB THR 38 HB THR 38 4.888 -4.701 0.900 302 HG1 THR 38 1HG THR 38 3.844 -4.767 2.967 303 1HG2 THR 38 1HG2 THR 38 7.347 -3.807 2.289 304 2HG2 THR 38 2HG2 THR 38 7.147 -4.599 0.726 305 3HG2 THR 38 3HG2 THR 38 6.996 -5.534 2.215 306 H GLY 39 H GLY 39 4.078 -0.690 0.773 307 1HA GLY 39 2HA GLY 39 4.739 -1.011 -1.906 308 2HA GLY 39 1HA GLY 39 4.384 0.530 -1.134 309 H GLY 40 H GLY 40 5.912 1.570 -2.442 310 1HA GLY 40 2HA GLY 40 8.504 1.764 -1.313 311 2HA GLY 40 1HA GLY 40 8.558 0.833 -2.808 312 H GLY 41 H GLY 41 7.137 3.874 -1.586 313 1HA GLY 41 2HA GLY 41 8.480 5.664 -3.131 314 2HA GLY 41 1HA GLY 41 7.229 5.063 -4.208 315 H CYS 42 H CYS 42 7.290 5.905 -0.750 316 HA CYS 42 HA CYS 42 6.051 7.342 0.495 317 1HB CYS 42 2HB CYS 42 5.912 8.620 -2.199 318 2HB CYS 42 1HB CYS 42 4.828 9.203 -0.941 319 HG CYS 42 HG CYS 42 7.631 9.188 0.106 320 H SER 43 H SER 43 4.160 6.998 -2.517 321 HA SER 43 HA SER 43 1.699 6.739 -1.105 322 1HB SER 43 2HB SER 43 2.021 5.822 -3.940 323 2HB SER 43 1HB SER 43 0.676 6.681 -3.190 324 HG SER 43 HG SER 43 2.141 7.909 -4.642 325 H GLY 44 H GLY 44 3.281 4.396 -3.287 326 1HA GLY 44 2HA GLY 44 3.789 2.169 -2.250 327 2HA GLY 44 1HA GLY 44 2.163 2.251 -1.588 328 H PHE 45 H PHE 45 3.695 0.501 -3.641 329 HA PHE 45 HA PHE 45 1.419 0.243 -5.429 330 1HB PHE 45 2HB PHE 45 2.692 0.303 -7.451 331 2HB PHE 45 1HB PHE 45 3.086 1.761 -6.538 332 HD1 PHE 45 1HD PHE 45 5.100 1.121 -4.719 333 HD2 PHE 45 2HD PHE 45 4.491 -0.522 -8.594 334 HE1 PHE 45 1HE PHE 45 7.481 0.543 -4.839 335 HE2 PHE 45 2HE PHE 45 6.879 -1.099 -8.728 336 HZ PHE 45 HZ PHE 45 8.379 -0.566 -6.849 337 H GLN 46 H GLN 46 3.461 -1.250 -3.369 338 HA GLN 46 HA GLN 46 3.482 -3.757 -4.904 339 1HB GLN 46 2HB GLN 46 5.176 -2.817 -2.601 340 2HB GLN 46 1HB GLN 46 5.132 -4.496 -3.118 341 1HG GLN 46 2HG GLN 46 6.165 -4.037 -5.136 342 2HG GLN 46 1HG GLN 46 5.736 -2.326 -5.074 343 1HE2 GLN 46 1HE2 GLN 46 6.740 -1.065 -3.356 344 2HE2 GLN 46 2HE2 GLN 46 8.370 -1.429 -2.895 345 H TYR 47 H TYR 47 3.486 -3.044 -1.421 346 HA TYR 47 HA TYR 47 2.102 -3.727 0.260 347 1HB TYR 47 2HB TYR 47 0.200 -4.814 -1.808 348 2HB TYR 47 1HB TYR 47 -0.164 -4.275 -0.171 349 HD1 TYR 47 1HD TYR 47 -0.122 -3.375 -3.588 350 HD2 TYR 47 2HD TYR 47 0.269 -1.765 0.326 351 HE1 TYR 47 1HE TYR 47 -0.671 -1.137 -4.460 352 HE2 TYR 47 2HE TYR 47 -0.278 0.474 -0.529 353 HH TYR 47 HH TYR 47 -1.493 1.454 -2.479 354 H GLY 48 H GLY 48 3.003 -5.319 1.331 355 1HA GLY 48 2HA GLY 48 3.870 -7.752 0.177 356 2HA GLY 48 1HA GLY 48 3.798 -7.401 1.893 357 H PHE 49 H PHE 49 2.970 -9.696 -0.029 358 HA PHE 49 HA PHE 49 0.219 -10.042 0.930 359 1HB PHE 49 2HB PHE 49 1.728 -11.057 -1.439 360 2HB PHE 49 1HB PHE 49 0.365 -11.987 -0.828 361 HD1 PHE 49 1HD PHE 49 -1.247 -11.733 -2.462 362 HD2 PHE 49 2HD PHE 49 0.779 -8.314 -0.976 363 HE1 PHE 49 1HE PHE 49 -2.817 -10.292 -3.679 364 HE2 PHE 49 2HE PHE 49 -0.768 -6.853 -2.187 365 HZ PHE 49 HZ PHE 49 -2.579 -7.838 -3.552 366 H THR 50 H THR 50 -0.363 -11.720 2.185 367 HA THR 50 HA THR 50 1.600 -13.839 2.727 368 HB THR 50 HB THR 50 1.584 -12.072 4.564 369 HG1 THR 50 1HG THR 50 2.272 -14.228 4.914 370 1HG2 THR 50 1HG2 THR 50 -0.197 -11.680 5.889 371 2HG2 THR 50 2HG2 THR 50 -0.846 -13.311 5.686 372 3HG2 THR 50 3HG2 THR 50 -1.073 -12.106 4.419 373 H PHE 51 H PHE 51 0.549 -15.766 3.771 374 HA PHE 51 HA PHE 51 -2.163 -16.073 2.696 375 1HB PHE 51 2HB PHE 51 -0.309 -18.344 3.394 376 2HB PHE 51 1HB PHE 51 -1.674 -18.342 2.279 377 HD1 PHE 51 1HD PHE 51 -1.494 -16.906 0.191 378 HD2 PHE 51 2HD PHE 51 1.849 -17.907 2.622 379 HE1 PHE 51 1HE PHE 51 0.021 -16.276 -1.644 380 HE2 PHE 51 2HE PHE 51 3.372 -17.296 0.789 381 HZ PHE 51 HZ PHE 51 2.460 -16.473 -1.346 382 H ASP 52 H ASP 52 -3.429 -15.456 4.286 383 HA ASP 52 HA ASP 52 -3.139 -16.727 6.926 384 1HB ASP 52 2HB ASP 52 -2.813 -14.399 7.197 385 2HB ASP 52 1HB ASP 52 -4.131 -14.008 6.106 386 H GLU 53 H GLU 53 -4.483 -18.413 6.959 387 HA GLU 53 HA GLU 53 -7.001 -18.444 5.600 388 1HB GLU 53 2HB GLU 53 -5.214 -20.360 6.580 389 2HB GLU 53 1HB GLU 53 -6.684 -20.574 7.518 390 1HG GLU 53 2HG GLU 53 -7.329 -20.239 4.755 391 2HG GLU 53 1HG GLU 53 -6.136 -21.518 4.950 392 H LYS 54 H LYS 54 -6.013 -17.582 8.805 393 HA LYS 54 HA LYS 54 -8.288 -18.280 10.230 394 1HB LYS 54 2HB LYS 54 -7.605 -16.041 11.560 395 2HB LYS 54 1HB LYS 54 -6.779 -17.571 11.753 396 1HG LYS 54 2HG LYS 54 -5.624 -16.106 9.582 397 2HG LYS 54 1HG LYS 54 -5.683 -15.111 11.033 398 1HD LYS 54 2HD LYS 54 -3.681 -16.175 11.345 399 2HD LYS 54 1HD LYS 54 -4.767 -17.296 12.166 400 1HE LYS 54 2HE LYS 54 -4.892 -18.628 10.078 401 2HE LYS 54 1HE LYS 54 -3.709 -17.542 9.351 402 1HZ LYS 54 1HZ LYS 54 -2.719 -19.594 10.248 403 2HZ LYS 54 2HZ LYS 54 -3.233 -19.159 11.796 404 3HZ LYS 54 3HZ LYS 54 -2.097 -18.205 10.986 405 H VAL 55 H VAL 55 -7.944 -14.837 10.195 406 HA VAL 55 HA VAL 55 -10.130 -14.323 8.403 407 HB VAL 55 HB VAL 55 -10.725 -13.558 11.236 408 1HG1 VAL 55 1HG1 VAL 55 -12.188 -13.694 8.654 409 2HG1 VAL 55 2HG1 VAL 55 -12.138 -12.409 9.864 410 3HG1 VAL 55 3HG1 VAL 55 -13.094 -13.857 10.161 411 1HG2 VAL 55 1HG2 VAL 55 -12.131 -15.490 11.556 412 2HG2 VAL 55 2HG2 VAL 55 -10.467 -15.996 11.275 413 3HG2 VAL 55 3HG2 VAL 55 -11.653 -16.133 9.983 414 H ASN 56 H ASN 56 -8.846 -12.912 11.392 415 HA ASN 56 HA ASN 56 -7.833 -10.903 11.795 416 1HB ASN 56 2HB ASN 56 -7.747 -10.251 8.867 417 2HB ASN 56 1HB ASN 56 -6.603 -9.821 10.135 418 1HD2 ASN 56 1HD2 ASN 56 -6.373 -12.436 11.247 419 2HD2 ASN 56 2HD2 ASN 56 -5.487 -13.398 10.108 420 H ASP 57 H ASP 57 -10.114 -10.625 12.535 421 HA ASP 57 HA ASP 57 -12.199 -9.560 11.137 422 1HB ASP 57 2HB ASP 57 -11.419 -8.656 13.912 423 2HB ASP 57 1HB ASP 57 -13.031 -8.635 13.209 424 H GLY 58 H GLY 58 -9.290 -7.832 12.091 425 1HA GLY 58 2HA GLY 58 -10.451 -5.305 11.169 426 2HA GLY 58 1HA GLY 58 -8.914 -5.494 12.009 427 H ASP 59 H ASP 59 -10.271 -7.125 9.165 428 HA ASP 59 HA ASP 59 -8.305 -5.870 7.427 429 1HB ASP 59 2HB ASP 59 -7.675 -8.330 8.627 430 2HB ASP 59 1HB ASP 59 -8.232 -8.760 7.015 431 H LEU 60 H LEU 60 -9.586 -5.192 5.781 432 HA LEU 60 HA LEU 60 -12.091 -6.278 5.153 433 1HB LEU 60 2HB LEU 60 -10.385 -4.856 3.134 434 2HB LEU 60 1HB LEU 60 -12.130 -4.847 3.280 435 HG LEU 60 HG LEU 60 -10.095 -3.298 4.831 436 1HD1 LEU 60 1HD1 LEU 60 -11.000 -2.047 3.103 437 2HD1 LEU 60 2HD1 LEU 60 -11.989 -1.583 4.486 438 3HD1 LEU 60 3HD1 LEU 60 -12.608 -2.740 3.308 439 1HD2 LEU 60 1HD2 LEU 60 -12.102 -2.687 6.338 440 2HD2 LEU 60 2HD2 LEU 60 -11.204 -4.165 6.677 441 3HD2 LEU 60 3HD2 LEU 60 -12.745 -4.248 5.831 442 H THR 61 H THR 61 -12.755 -7.692 3.467 443 HA THR 61 HA THR 61 -10.562 -9.270 2.337 444 HB THR 61 HB THR 61 -11.583 -11.282 2.876 445 HG1 THR 61 1HG THR 61 -13.946 -9.775 3.228 446 1HG2 THR 61 1HG2 THR 61 -11.442 -11.277 5.092 447 2HG2 THR 61 2HG2 THR 61 -12.723 -10.077 5.262 448 3HG2 THR 61 3HG2 THR 61 -11.074 -9.559 4.921 449 H ILE 62 H ILE 62 -10.550 -9.717 0.328 450 HA ILE 62 HA ILE 62 -12.951 -9.354 -1.339 451 HB ILE 62 HB ILE 62 -11.022 -8.966 -3.139 452 1HG1 ILE 62 2HG1 ILE 62 -9.281 -9.196 -1.285 453 2HG1 ILE 62 1HG1 ILE 62 -9.118 -7.807 -2.351 454 1HG2 ILE 62 1HG2 ILE 62 -11.870 -6.702 -1.358 455 2HG2 ILE 62 2HG2 ILE 62 -12.953 -7.500 -2.491 456 3HG2 ILE 62 3HG2 ILE 62 -11.525 -6.652 -3.087 457 1HD1 ILE 62 1HD1 ILE 62 -8.803 -6.761 -0.375 458 2HD1 ILE 62 2HD1 ILE 62 -9.762 -7.931 0.528 459 3HD1 ILE 62 3HD1 ILE 62 -10.564 -6.674 -0.412 460 H GLU 63 H GLU 63 -13.438 -11.176 -2.538 461 HA GLU 63 HA GLU 63 -12.146 -13.589 -2.000 462 1HB GLU 63 2HB GLU 63 -14.483 -13.205 -2.910 463 2HB GLU 63 1HB GLU 63 -13.742 -13.091 -4.493 464 1HG GLU 63 2HG GLU 63 -13.056 -15.325 -4.460 465 2HG GLU 63 1HG GLU 63 -13.300 -15.463 -2.720 466 H LYS 64 H LYS 64 -10.894 -14.984 -3.297 467 HA LYS 64 HA LYS 64 -9.159 -13.566 -5.195 468 1HB LYS 64 2HB LYS 64 -8.358 -14.721 -2.947 469 2HB LYS 64 1HB LYS 64 -8.398 -16.167 -3.942 470 1HG LYS 64 2HG LYS 64 -6.281 -15.617 -4.379 471 2HG LYS 64 1HG LYS 64 -7.013 -14.542 -5.561 472 1HD LYS 64 2HD LYS 64 -6.880 -12.686 -4.014 473 2HD LYS 64 1HD LYS 64 -6.288 -13.755 -2.740 474 1HE LYS 64 2HE LYS 64 -4.290 -14.215 -4.007 475 2HE LYS 64 1HE LYS 64 -4.884 -13.250 -5.352 476 1HZ LYS 64 1HZ LYS 64 -4.555 -11.291 -4.204 477 2HZ LYS 64 2HZ LYS 64 -3.224 -12.211 -3.711 478 3HZ LYS 64 3HZ LYS 64 -4.559 -12.040 -2.685 479 H SER 65 H SER 65 -8.339 -14.842 -7.011 480 HA SER 65 HA SER 65 -10.285 -15.958 -8.587 481 1HB SER 65 2HB SER 65 -7.675 -15.324 -8.932 482 2HB SER 65 1HB SER 65 -7.584 -17.091 -8.972 483 HG SER 65 HG SER 65 -8.423 -15.422 -10.881 484 H GLY 66 H GLY 66 -8.151 -17.555 -6.293 485 1HA GLY 66 2HA GLY 66 -9.810 -19.973 -6.570 486 2HA GLY 66 1HA GLY 66 -8.056 -20.100 -6.563 487 H VAL 67 H VAL 67 -9.107 -17.626 -4.556 488 HA VAL 67 HA VAL 67 -9.613 -19.242 -2.210 489 HB VAL 67 HB VAL 67 -7.721 -18.528 -0.917 490 1HG1 VAL 67 1HG1 VAL 67 -7.457 -20.525 -2.348 491 2HG1 VAL 67 2HG1 VAL 67 -5.931 -19.709 -1.999 492 3HG1 VAL 67 3HG1 VAL 67 -6.702 -19.498 -3.568 493 1HG2 VAL 67 1HG2 VAL 67 -6.614 -17.129 -3.336 494 2HG2 VAL 67 2HG2 VAL 67 -5.988 -17.103 -1.690 495 3HG2 VAL 67 3HG2 VAL 67 -7.505 -16.294 -2.068 496 H GLN 68 H GLN 68 -8.673 -16.993 -0.464 497 HA GLN 68 HA GLN 68 -10.561 -14.899 -1.256 498 1HB GLN 68 2HB GLN 68 -11.963 -15.529 0.350 499 2HB GLN 68 1HB GLN 68 -10.830 -16.730 0.940 500 1HG GLN 68 2HG GLN 68 -11.000 -15.503 2.796 501 2HG GLN 68 1HG GLN 68 -9.734 -14.560 2.038 502 1HE2 GLN 68 1HE2 GLN 68 -11.202 -13.212 0.136 503 2HE2 GLN 68 2HE2 GLN 68 -12.271 -12.114 0.928 504 H LEU 69 H LEU 69 -9.750 -12.897 -1.105 505 HA LEU 69 HA LEU 69 -7.111 -12.587 0.134 506 1HB LEU 69 2HB LEU 69 -7.187 -11.901 -2.144 507 2HB LEU 69 1HB LEU 69 -8.634 -10.955 -1.882 508 HG LEU 69 HG LEU 69 -7.466 -9.208 -0.857 509 1HD1 LEU 69 1HD1 LEU 69 -5.960 -9.702 0.701 510 2HD1 LEU 69 2HD1 LEU 69 -4.804 -9.952 -0.604 511 3HD1 LEU 69 3HD1 LEU 69 -5.709 -11.314 0.036 512 1HD2 LEU 69 1HD2 LEU 69 -5.768 -8.607 -2.415 513 2HD2 LEU 69 2HD2 LEU 69 -6.996 -9.524 -3.293 514 3HD2 LEU 69 3HD2 LEU 69 -5.483 -10.299 -2.822 515 H VAL 70 H VAL 70 -6.709 -11.166 1.792 516 HA VAL 70 HA VAL 70 -8.830 -9.380 2.663 517 HB VAL 70 HB VAL 70 -9.328 -10.348 4.627 518 1HG1 VAL 70 1HG1 VAL 70 -8.181 -12.556 2.997 519 2HG1 VAL 70 2HG1 VAL 70 -9.853 -12.247 3.469 520 3HG1 VAL 70 3HG1 VAL 70 -8.704 -12.890 4.644 521 1HG2 VAL 70 1HG2 VAL 70 -7.721 -11.512 6.099 522 2HG2 VAL 70 2HG2 VAL 70 -7.227 -9.871 5.694 523 3HG2 VAL 70 3HG2 VAL 70 -6.465 -11.243 4.892 524 H ILE 71 H ILE 71 -7.869 -7.448 2.679 525 HA ILE 71 HA ILE 71 -5.056 -7.315 3.512 526 HB ILE 71 HB ILE 71 -4.727 -5.426 2.205 527 1HG1 ILE 71 2HG1 ILE 71 -6.627 -4.091 2.963 528 2HG1 ILE 71 1HG1 ILE 71 -6.534 -4.083 1.205 529 1HG2 ILE 71 1HG2 ILE 71 -5.555 -7.678 1.038 530 2HG2 ILE 71 2HG2 ILE 71 -5.057 -6.253 0.126 531 3HG2 ILE 71 3HG2 ILE 71 -6.770 -6.570 0.402 532 1HD1 ILE 71 1HD1 ILE 71 -8.774 -4.390 1.547 533 2HD1 ILE 71 2HD1 ILE 71 -8.529 -5.372 2.991 534 3HD1 ILE 71 3HD1 ILE 71 -8.219 -6.057 1.396 535 H ASP 72 H ASP 72 -4.350 -5.278 4.565 536 HA ASP 72 HA ASP 72 -5.957 -4.854 6.929 537 1HB ASP 72 2HB ASP 72 -3.593 -5.223 7.224 538 2HB ASP 72 1HB ASP 72 -3.207 -3.892 6.133 539 HA PRO 73 HA PRO 73 -8.074 -1.107 6.013 540 1HB PRO 73 2HB PRO 73 -6.942 -0.198 8.627 541 2HB PRO 73 1HB PRO 73 -8.605 -0.119 8.033 542 1HG PRO 73 2HG PRO 73 -7.901 -1.978 9.791 543 2HG PRO 73 1HG PRO 73 -9.004 -2.367 8.458 544 1HD PRO 73 2HD PRO 73 -6.130 -3.060 8.806 545 2HD PRO 73 1HD PRO 73 -7.425 -3.980 8.018 546 H MET 74 H MET 74 -4.895 -0.541 7.590 547 HA MET 74 HA MET 74 -4.476 2.003 6.625 548 1HB MET 74 2HB MET 74 -2.266 1.811 7.287 549 2HB MET 74 1HB MET 74 -3.037 0.567 8.255 550 1HG MET 74 2HG MET 74 -2.170 -1.160 6.914 551 2HG MET 74 1HG MET 74 -1.707 -0.038 5.634 552 1HE MET 74 1HE MET 74 0.331 0.107 9.759 553 2HE MET 74 2HE MET 74 -1.260 -0.592 9.457 554 3HE MET 74 3HE MET 74 -1.021 1.149 9.313 555 H SER 75 H SER 75 -4.103 -1.070 5.031 556 HA SER 75 HA SER 75 -2.883 0.035 2.684 557 1HB SER 75 2HB SER 75 -4.338 -2.605 2.860 558 2HB SER 75 1HB SER 75 -3.040 -2.152 1.756 559 HG SER 75 HG SER 75 -2.795 -3.361 4.059 560 H LEU 76 H LEU 76 -6.112 -0.758 3.795 561 HA LEU 76 HA LEU 76 -7.624 -0.723 1.550 562 1HB LEU 76 2HB LEU 76 -9.080 -0.968 3.202 563 2HB LEU 76 1HB LEU 76 -8.076 -0.095 4.332 564 HG LEU 76 HG LEU 76 -9.783 1.358 2.327 565 1HD1 LEU 76 1HD1 LEU 76 -11.351 0.008 3.453 566 2HD1 LEU 76 2HD1 LEU 76 -11.394 1.575 4.264 567 3HD1 LEU 76 3HD1 LEU 76 -10.523 0.226 4.994 568 1HD2 LEU 76 1HD2 LEU 76 -9.657 2.771 4.682 569 2HD2 LEU 76 2HD2 LEU 76 -8.661 3.057 3.256 570 3HD2 LEU 76 3HD2 LEU 76 -8.058 2.042 4.564 571 H GLN 77 H GLN 77 -6.364 2.140 3.193 572 HA GLN 77 HA GLN 77 -7.590 3.896 1.299 573 1HB GLN 77 2HB GLN 77 -7.249 5.480 2.822 574 2HB GLN 77 1HB GLN 77 -6.677 4.201 3.875 575 1HG GLN 77 2HG GLN 77 -4.509 5.057 2.228 576 2HG GLN 77 1HG GLN 77 -5.284 6.468 2.943 577 1HE2 GLN 77 1HE2 GLN 77 -4.758 3.169 4.091 578 2HE2 GLN 77 2HE2 GLN 77 -3.931 3.619 5.533 579 H TYR 78 H TYR 78 -4.597 2.210 1.488 580 HA TYR 78 HA TYR 78 -3.235 3.977 -0.340 581 1HB TYR 78 2HB TYR 78 -2.535 1.444 1.083 582 2HB TYR 78 1HB TYR 78 -1.576 1.943 -0.310 583 HD1 TYR 78 1HD TYR 78 -1.872 2.138 3.160 584 HD2 TYR 78 2HD TYR 78 -0.764 4.476 -0.212 585 HE1 TYR 78 1HE TYR 78 -0.536 3.586 4.618 586 HE2 TYR 78 2HE TYR 78 0.573 5.945 1.240 587 HH TYR 78 HH TYR 78 1.600 5.185 4.175 588 H LEU 79 H LEU 79 -4.777 0.817 -0.419 589 HA LEU 79 HA LEU 79 -4.129 0.511 -3.230 590 1HB LEU 79 2HB LEU 79 -4.958 -1.725 -3.089 591 2HB LEU 79 1HB LEU 79 -3.845 -1.404 -1.790 592 HG LEU 79 HG LEU 79 -6.227 -2.707 -1.550 593 1HD1 LEU 79 1HD1 LEU 79 -4.812 -3.101 0.152 594 2HD1 LEU 79 2HD1 LEU 79 -5.857 -1.938 0.969 595 3HD1 LEU 79 3HD1 LEU 79 -4.320 -1.412 0.281 596 1HD2 LEU 79 1HD2 LEU 79 -7.698 -1.311 -0.193 597 2HD2 LEU 79 2HD2 LEU 79 -7.573 -0.707 -1.841 598 3HD2 LEU 79 3HD2 LEU 79 -6.690 0.092 -0.539 599 H ILE 80 H ILE 80 -6.722 1.736 -1.451 600 HA ILE 80 HA ILE 80 -9.085 1.279 -2.269 601 HB ILE 80 HB ILE 80 -9.708 3.558 -2.619 602 1HG1 ILE 80 2HG1 ILE 80 -8.083 4.181 -4.314 603 2HG1 ILE 80 1HG1 ILE 80 -8.030 5.337 -2.986 604 1HG2 ILE 80 1HG2 ILE 80 -9.112 3.061 -0.363 605 2HG2 ILE 80 2HG2 ILE 80 -8.534 4.682 -0.748 606 3HG2 ILE 80 3HG2 ILE 80 -7.404 3.329 -0.711 607 1HD1 ILE 80 1HD1 ILE 80 -6.062 4.130 -2.097 608 2HD1 ILE 80 2HD1 ILE 80 -5.800 4.843 -3.688 609 3HD1 ILE 80 3HD1 ILE 80 -6.092 3.113 -3.531 610 H GLY 81 H GLY 81 -10.105 0.516 -3.885 611 1HA GLY 81 2HA GLY 81 -10.433 -0.346 -6.012 612 2HA GLY 81 1HA GLY 81 -10.769 1.358 -6.268 613 H GLY 82 H GLY 82 -7.543 -0.032 -5.739 614 1HA GLY 82 2HA GLY 82 -6.708 1.137 -8.278 615 2HA GLY 82 1HA GLY 82 -5.654 0.395 -7.076 616 H THR 83 H THR 83 -4.555 -0.909 -8.563 617 HA THR 83 HA THR 83 -5.993 -3.320 -9.305 618 HB THR 83 HB THR 83 -4.746 -1.467 -11.319 619 HG1 THR 83 1HG THR 83 -6.725 -1.935 -12.392 620 1HG2 THR 83 1HG2 THR 83 -3.851 -3.202 -12.384 621 2HG2 THR 83 2HG2 THR 83 -5.510 -3.665 -12.764 622 3HG2 THR 83 3HG2 THR 83 -4.693 -4.373 -11.367 623 H VAL 84 H VAL 84 -4.725 -5.102 -9.142 624 HA VAL 84 HA VAL 84 -1.817 -4.693 -8.996 625 HB VAL 84 HB VAL 84 -1.723 -5.266 -6.865 626 1HG1 VAL 84 1HG1 VAL 84 -4.071 -4.376 -6.775 627 2HG1 VAL 84 2HG1 VAL 84 -3.587 -5.436 -5.458 628 3HG1 VAL 84 3HG1 VAL 84 -4.609 -6.055 -6.754 629 1HG2 VAL 84 1HG2 VAL 84 -2.449 -7.574 -6.128 630 2HG2 VAL 84 2HG2 VAL 84 -1.277 -7.493 -7.443 631 3HG2 VAL 84 3HG2 VAL 84 -2.972 -7.827 -7.793 632 H ASP 85 H ASP 85 -0.523 -6.517 -9.460 633 HA ASP 85 HA ASP 85 -1.791 -8.884 -10.505 634 1HB ASP 85 2HB ASP 85 -0.374 -8.646 -12.667 635 2HB ASP 85 1HB ASP 85 -1.894 -7.759 -12.545 636 H TYR 86 H TYR 86 -0.409 -10.665 -10.604 637 HA TYR 86 HA TYR 86 2.261 -10.195 -9.454 638 1HB TYR 86 2HB TYR 86 0.137 -11.677 -8.421 639 2HB TYR 86 1HB TYR 86 1.254 -12.880 -9.048 640 HD1 TYR 86 1HD TYR 86 3.862 -11.971 -8.472 641 HD2 TYR 86 2HD TYR 86 0.340 -11.423 -6.161 642 HE1 TYR 86 1HE TYR 86 5.238 -11.748 -6.450 643 HE2 TYR 86 2HE TYR 86 1.704 -11.195 -4.128 644 HH TYR 86 HH TYR 86 5.048 -11.954 -4.060 645 H THR 87 H THR 87 3.977 -11.350 -10.226 646 HA THR 87 HA THR 87 3.585 -13.294 -12.338 647 HB THR 87 HB THR 87 5.171 -10.756 -12.757 648 HG1 THR 87 1HG THR 87 3.671 -10.354 -14.358 649 1HG2 THR 87 1HG2 THR 87 5.919 -11.534 -14.803 650 2HG2 THR 87 2HG2 THR 87 4.748 -12.850 -14.842 651 3HG2 THR 87 3HG2 THR 87 6.127 -12.922 -13.738 652 H GLU 88 H GLU 88 4.479 -14.774 -10.894 653 HA GLU 88 HA GLU 88 6.704 -14.449 -9.322 654 1HB GLU 88 2HB GLU 88 6.015 -16.992 -10.762 655 2HB GLU 88 1HB GLU 88 6.941 -16.833 -9.279 656 1HG GLU 88 2HG GLU 88 4.905 -15.875 -8.206 657 2HG GLU 88 1HG GLU 88 4.013 -16.280 -9.669 658 H GLY 89 H GLY 89 8.898 -15.281 -9.546 659 1HA GLY 89 2HA GLY 89 9.890 -15.386 -12.305 660 2HA GLY 89 1HA GLY 89 10.565 -14.181 -11.221 661 H LEU 90 H LEU 90 9.607 -17.320 -10.059 662 HA LEU 90 HA LEU 90 10.768 -19.063 -9.182 663 1HB LEU 90 2HB LEU 90 12.506 -18.162 -11.418 664 2HB LEU 90 1HB LEU 90 13.217 -19.255 -10.236 665 HG LEU 90 HG LEU 90 11.528 -20.925 -10.694 666 1HD1 LEU 90 1HD1 LEU 90 9.525 -20.049 -11.242 667 2HD1 LEU 90 2HD1 LEU 90 10.123 -20.250 -12.886 668 3HD1 LEU 90 3HD1 LEU 90 10.239 -18.677 -12.095 669 1HD2 LEU 90 1HD2 LEU 90 12.052 -21.368 -13.095 670 2HD2 LEU 90 2HD2 LEU 90 13.465 -21.027 -12.099 671 3HD2 LEU 90 3HD2 LEU 90 12.818 -19.779 -13.165 672 H GLU 91 H GLU 91 13.568 -16.968 -9.786 673 HA GLU 91 HA GLU 91 14.683 -17.336 -7.252 674 1HB GLU 91 2HB GLU 91 15.078 -15.220 -9.359 675 2HB GLU 91 1HB GLU 91 15.986 -15.209 -7.847 676 1HG GLU 91 2HG GLU 91 16.951 -17.352 -8.355 677 2HG GLU 91 1HG GLU 91 15.951 -17.491 -9.795 678 H GLY 92 H GLY 92 12.160 -15.225 -8.329 679 1HA GLY 92 2HA GLY 92 11.404 -14.501 -5.724 680 2HA GLY 92 1HA GLY 92 12.360 -13.190 -6.407 681 H SER 93 H SER 93 9.289 -14.515 -6.142 682 HA SER 93 HA SER 93 8.114 -13.800 -8.566 683 1HB SER 93 2HB SER 93 6.787 -13.763 -5.849 684 2HB SER 93 1HB SER 93 5.986 -13.929 -7.410 685 HG SER 93 HG SER 93 7.333 -15.803 -5.902 686 H ARG 94 H ARG 94 7.785 -11.936 -9.490 687 HA ARG 94 HA ARG 94 8.268 -9.491 -8.020 688 1HB ARG 94 2HB ARG 94 8.291 -8.371 -10.089 689 2HB ARG 94 1HB ARG 94 9.050 -9.926 -10.394 690 1HG ARG 94 2HG ARG 94 6.331 -10.315 -10.911 691 2HG ARG 94 1HG ARG 94 6.735 -8.744 -11.618 692 1HD ARG 94 2HD ARG 94 8.658 -10.938 -12.073 693 2HD ARG 94 1HD ARG 94 7.103 -11.078 -12.892 694 HE ARG 94 HE ARG 94 7.883 -8.540 -13.443 695 1HH1 ARG 94 1HH1 ARG 94 9.409 -11.658 -13.809 696 2HH1 ARG 94 2HH1 ARG 94 10.337 -11.181 -15.192 697 1HH2 ARG 94 1HH2 ARG 94 9.104 -7.910 -15.260 698 2HH2 ARG 94 2HH2 ARG 94 10.165 -9.052 -16.014 699 H PHE 95 H PHE 95 6.808 -7.842 -7.617 700 HA PHE 95 HA PHE 95 3.981 -8.429 -8.163 701 1HB PHE 95 2HB PHE 95 4.742 -8.988 -5.773 702 2HB PHE 95 1HB PHE 95 4.889 -7.248 -5.545 703 HD1 PHE 95 1HD PHE 95 2.321 -9.143 -7.440 704 HD2 PHE 95 2HD PHE 95 3.185 -6.723 -4.043 705 HE1 PHE 95 1HE PHE 95 -0.078 -9.013 -6.926 706 HE2 PHE 95 2HE PHE 95 0.787 -6.600 -3.517 707 HZ PHE 95 HZ PHE 95 -0.846 -7.737 -4.970 708 H THR 96 H THR 96 2.804 -6.741 -8.868 709 HA THR 96 HA THR 96 3.827 -4.030 -8.443 710 HB THR 96 HB THR 96 2.845 -4.694 -11.179 711 HG1 THR 96 1HG THR 96 4.915 -5.310 -11.796 712 1HG2 THR 96 1HG2 THR 96 3.287 -2.460 -11.101 713 2HG2 THR 96 2HG2 THR 96 4.854 -3.079 -11.625 714 3HG2 THR 96 3HG2 THR 96 4.599 -2.647 -9.933 715 H VAL 97 H VAL 97 2.281 -2.623 -7.947 716 HA VAL 97 HA VAL 97 -0.506 -3.289 -8.641 717 HB VAL 97 HB VAL 97 0.204 -1.904 -6.070 718 1HG1 VAL 97 1HG1 VAL 97 -2.219 -3.255 -7.193 719 2HG1 VAL 97 2HG1 VAL 97 -2.059 -1.639 -6.501 720 3HG1 VAL 97 3HG1 VAL 97 -2.010 -3.057 -5.452 721 1HG2 VAL 97 1HG2 VAL 97 0.821 -4.610 -6.680 722 2HG2 VAL 97 2HG2 VAL 97 -0.524 -4.593 -5.542 723 3HG2 VAL 97 3HG2 VAL 97 0.973 -3.759 -5.147 724 H ASN 98 H ASN 98 -1.971 -1.361 -8.490 725 HA ASN 98 HA ASN 98 -0.635 1.205 -8.862 726 1HB ASN 98 2HB ASN 98 -2.582 0.144 -10.917 727 2HB ASN 98 1HB ASN 98 -1.678 1.658 -10.985 728 1HD2 ASN 98 1HD2 ASN 98 -1.809 -1.324 -12.235 729 2HD2 ASN 98 2HD2 ASN 98 -0.148 -1.571 -12.629 730 H ASN 99 H ASN 99 -2.118 3.028 -8.815 731 HA ASN 99 HA ASN 99 -4.861 2.832 -8.307 732 1HB ASN 99 2HB ASN 99 -4.702 3.460 -5.800 733 2HB ASN 99 1HB ASN 99 -4.516 1.764 -6.249 734 1HD2 ASN 99 1HD2 ASN 99 -3.120 0.918 -4.893 735 2HD2 ASN 99 2HD2 ASN 99 -1.586 1.584 -4.467 736 HA PRO 100 HA PRO 100 -4.725 7.198 -8.771 737 1HB PRO 100 2HB PRO 100 -6.414 8.114 -6.791 738 2HB PRO 100 1HB PRO 100 -6.949 7.458 -8.346 739 1HG PRO 100 2HG PRO 100 -6.768 6.115 -5.679 740 2HG PRO 100 1HG PRO 100 -8.035 5.991 -6.914 741 1HD PRO 100 2HD PRO 100 -6.193 4.071 -6.602 742 2HD PRO 100 1HD PRO 100 -6.797 4.516 -8.209 743 H ASN 101 H ASN 101 -4.506 6.209 -5.368 744 HA ASN 101 HA ASN 101 -3.320 8.557 -4.403 745 1HB ASN 101 2HB ASN 101 -3.533 7.492 -2.447 746 2HB ASN 101 1HB ASN 101 -4.108 6.082 -3.336 747 1HD2 ASN 101 1HD2 ASN 101 -2.297 4.700 -4.243 748 2HD2 ASN 101 2HD2 ASN 101 -0.963 4.392 -3.182 749 H ALA 102 H ALA 102 -1.924 5.704 -5.916 750 HA ALA 102 HA ALA 102 0.773 6.764 -5.532 751 1HB ALA 102 1HB ALA 102 0.306 4.362 -5.093 752 2HB ALA 102 2HB ALA 102 1.577 4.635 -6.284 753 3HB ALA 102 3HB ALA 102 -0.037 4.160 -6.810 754 H THR 103 H THR 103 -0.960 8.227 -7.241 755 HA THR 103 HA THR 103 0.654 8.196 -9.650 756 HB THR 103 HB THR 103 -1.612 8.426 -10.971 757 HG1 THR 103 1HG THR 103 -3.253 7.216 -10.088 758 1HG2 THR 103 1HG2 THR 103 -1.698 5.971 -11.329 759 2HG2 THR 103 2HG2 THR 103 -0.497 5.791 -10.051 760 3HG2 THR 103 3HG2 THR 103 -0.094 6.677 -11.522 761 H SER 104 H SER 104 -2.137 9.641 -7.998 762 HA SER 104 HA SER 104 -1.602 12.219 -9.231 763 1HB SER 104 2HB SER 104 -3.636 12.017 -7.088 764 2HB SER 104 1HB SER 104 -3.735 12.790 -8.670 765 HG SER 104 HG SER 104 -3.817 10.574 -9.518 766 H THR 105 H THR 105 -0.353 13.718 -8.344 767 HA THR 105 HA THR 105 -0.172 13.967 -5.454 768 HB THR 105 HB THR 105 2.430 14.150 -5.825 769 HG1 THR 105 1HG THR 105 1.663 12.325 -7.855 770 1HG2 THR 105 1HG2 THR 105 1.229 12.465 -4.400 771 2HG2 THR 105 2HG2 THR 105 2.762 11.936 -5.092 772 3HG2 THR 105 3HG2 THR 105 1.241 11.395 -5.803 773 H CYS 106 H CYS 106 -0.097 16.042 -4.865 774 HA CYS 106 HA CYS 106 1.306 18.058 -6.273 775 1HB CYS 106 2HB CYS 106 -0.875 17.556 -7.657 776 2HB CYS 106 1HB CYS 106 -1.647 18.529 -6.410 777 HG CYS 106 HG CYS 106 -0.593 19.788 -8.685 778 H GLY 107 H GLY 107 1.031 17.082 -3.588 779 1HA GLY 107 2HA GLY 107 0.232 19.607 -2.300 780 2HA GLY 107 1HA GLY 107 -0.367 18.078 -1.660 781 H CYS 108 H CYS 108 2.769 17.802 -2.923 782 HA CYS 108 HA CYS 108 4.786 17.405 -1.952 783 1HB CYS 108 2HB CYS 108 4.195 19.962 -1.405 784 2HB CYS 108 1HB CYS 108 4.276 19.344 0.241 785 HG CYS 108 HG CYS 108 6.762 18.493 -1.111 786 H GLY 109 H GLY 109 2.468 15.879 -1.022 787 1HA GLY 109 2HA GLY 109 2.474 14.030 0.437 788 2HA GLY 109 1HA GLY 109 3.686 14.844 1.424 789 H SER 110 H SER 110 3.023 16.408 2.944 790 HA SER 110 HA SER 110 0.237 17.000 3.319 791 1HB SER 110 2HB SER 110 0.932 14.609 4.364 792 2HB SER 110 1HB SER 110 1.353 15.661 5.715 793 HG SER 110 HG SER 110 -0.891 14.820 5.588 794 H SER 111 H SER 111 3.268 16.774 5.193 795 HA SER 111 HA SER 111 3.406 19.638 5.443 796 1HB SER 111 2HB SER 111 1.839 18.475 7.323 797 2HB SER 111 1HB SER 111 3.412 18.355 8.110 798 HG SER 111 HG SER 111 3.584 20.521 8.137 799 H PHE 112 H PHE 112 5.315 20.268 6.862 800 HA PHE 112 HA PHE 112 7.556 20.183 7.260 801 1HB PHE 112 2HB PHE 112 7.147 17.194 7.461 802 2HB PHE 112 1HB PHE 112 8.498 18.115 8.110 803 HD1 PHE 112 1HD PHE 112 7.779 20.061 9.764 804 HD2 PHE 112 2HD PHE 112 5.452 16.606 8.890 805 HE1 PHE 112 1HE PHE 112 6.565 20.346 11.886 806 HE2 PHE 112 2HE PHE 112 4.235 16.884 11.009 807 HZ PHE 112 HZ PHE 112 4.791 18.756 12.511 808 H SER 113 H SER 113 9.599 18.643 6.569 809 HA SER 113 HA SER 113 9.394 18.475 3.641 810 1HB SER 113 2HB SER 113 11.742 18.987 3.523 811 2HB SER 113 1HB SER 113 10.984 20.179 4.582 812 HG SER 113 HG SER 113 11.676 18.753 6.346 813 H ILE 114 H ILE 114 10.805 16.865 2.621 814 HA ILE 114 HA ILE 114 10.255 14.295 3.355 815 HB ILE 114 HB ILE 114 11.941 13.550 1.819 816 1HG1 ILE 114 2HG1 ILE 114 13.785 14.999 2.640 817 2HG1 ILE 114 1HG1 ILE 114 13.648 14.999 0.886 818 1HG2 ILE 114 1HG2 ILE 114 11.240 16.009 0.390 819 2HG2 ILE 114 2HG2 ILE 114 9.884 15.193 1.167 820 3HG2 ILE 114 3HG2 ILE 114 10.885 14.326 0.002 821 1HD1 ILE 114 1HD1 ILE 114 14.045 17.223 1.502 822 2HD1 ILE 114 2HD1 ILE 114 12.868 17.157 2.814 823 3HD1 ILE 114 3HD1 ILE 114 12.322 17.139 1.136 Start of MODEL 10 1 1H MET 1 1HT MET 1 -26.926 -4.526 -6.290 2 2H MET 1 2HT MET 1 -26.474 -3.921 -4.748 3 3H MET 1 3HT MET 1 -27.312 -5.413 -4.878 4 HA MET 1 HA MET 1 -25.378 -6.184 -6.249 5 1HB MET 1 2HB MET 1 -24.675 -3.530 -5.952 6 2HB MET 1 1HB MET 1 -23.648 -4.337 -4.775 7 1HG MET 1 2HG MET 1 -22.252 -4.703 -6.459 8 2HG MET 1 1HG MET 1 -23.401 -5.936 -6.985 9 1HE MET 1 1HE MET 1 -25.368 -4.845 -9.571 10 2HE MET 1 2HE MET 1 -25.832 -3.409 -8.657 11 3HE MET 1 3HE MET 1 -25.653 -4.959 -7.833 12 H ILE 2 H ILE 2 -23.158 -6.586 -4.724 13 HA ILE 2 HA ILE 2 -24.281 -7.983 -2.428 14 HB ILE 2 HB ILE 2 -21.402 -8.309 -2.850 15 1HG1 ILE 2 2HG1 ILE 2 -22.025 -7.982 -5.205 16 2HG1 ILE 2 1HG1 ILE 2 -21.585 -9.658 -4.883 17 1HG2 ILE 2 1HG2 ILE 2 -23.096 -9.669 -1.463 18 2HG2 ILE 2 2HG2 ILE 2 -21.855 -10.536 -2.373 19 3HG2 ILE 2 3HG2 ILE 2 -23.501 -10.437 -2.999 20 1HD1 ILE 2 1HD1 ILE 2 -23.981 -10.221 -4.747 21 2HD1 ILE 2 2HD1 ILE 2 -23.490 -9.595 -6.321 22 3HD1 ILE 2 3HD1 ILE 2 -24.366 -8.561 -5.196 23 H ASP 3 H ASP 3 -21.942 -8.155 -0.892 24 HA ASP 3 HA ASP 3 -20.823 -5.654 -0.234 25 1HB ASP 3 2HB ASP 3 -22.017 -5.385 1.995 26 2HB ASP 3 1HB ASP 3 -22.946 -4.956 0.561 27 H ASP 4 H ASP 4 -20.128 -8.464 -0.528 28 HA ASP 4 HA ASP 4 -18.900 -8.909 2.109 29 1HB ASP 4 2HB ASP 4 -20.226 -10.846 0.241 30 2HB ASP 4 1HB ASP 4 -18.967 -11.398 1.339 31 H MET 5 H MET 5 -18.692 -9.589 -1.355 32 HA MET 5 HA MET 5 -15.758 -9.665 -1.099 33 1HB MET 5 2HB MET 5 -15.766 -10.968 -3.217 34 2HB MET 5 1HB MET 5 -16.585 -11.785 -1.892 35 1HG MET 5 2HG MET 5 -18.018 -12.157 -3.650 36 2HG MET 5 1HG MET 5 -18.731 -10.741 -2.891 37 1HE MET 5 1HE MET 5 -18.705 -8.038 -4.774 38 2HE MET 5 2HE MET 5 -19.643 -9.252 -3.909 39 3HE MET 5 3HE MET 5 -19.767 -9.127 -5.664 40 H ALA 6 H ALA 6 -14.546 -8.839 -2.978 41 HA ALA 6 HA ALA 6 -13.994 -7.142 -4.389 42 1HB ALA 6 1HB ALA 6 -16.910 -7.277 -5.137 43 2HB ALA 6 2HB ALA 6 -15.611 -8.221 -5.863 44 3HB ALA 6 3HB ALA 6 -15.646 -6.468 -6.060 45 H VAL 7 H VAL 7 -13.494 -5.683 -2.716 46 HA VAL 7 HA VAL 7 -15.569 -3.677 -2.231 47 HB VAL 7 HB VAL 7 -13.542 -3.598 -0.181 48 1HG1 VAL 7 1HG1 VAL 7 -15.925 -2.706 -0.218 49 2HG1 VAL 7 2HG1 VAL 7 -15.413 -3.532 1.253 50 3HG1 VAL 7 3HG1 VAL 7 -16.436 -4.367 0.082 51 1HG2 VAL 7 1HG2 VAL 7 -13.248 -5.977 -0.630 52 2HG2 VAL 7 2HG2 VAL 7 -14.993 -6.229 -0.507 53 3HG2 VAL 7 3HG2 VAL 7 -14.070 -5.731 0.909 54 HA PRO 8 HA PRO 8 -11.821 -1.018 -2.926 55 1HB PRO 8 2HB PRO 8 -9.549 -1.414 -1.699 56 2HB PRO 8 1HB PRO 8 -11.020 -1.322 -0.721 57 1HG PRO 8 2HG PRO 8 -9.455 -3.729 -1.551 58 2HG PRO 8 1HG PRO 8 -10.268 -3.399 -0.010 59 1HD PRO 8 2HD PRO 8 -11.303 -4.845 -2.249 60 2HD PRO 8 1HD PRO 8 -12.155 -4.410 -0.760 61 H LEU 9 H LEU 9 -8.811 -2.209 -2.917 62 HA LEU 9 HA LEU 9 -8.352 -2.100 -5.649 63 1HB LEU 9 2HB LEU 9 -6.705 -1.810 -3.789 64 2HB LEU 9 1HB LEU 9 -6.724 -3.546 -3.560 65 HG LEU 9 HG LEU 9 -4.942 -3.607 -4.903 66 1HD1 LEU 9 1HD1 LEU 9 -6.384 -4.477 -6.542 67 2HD1 LEU 9 2HD1 LEU 9 -5.329 -3.333 -7.360 68 3HD1 LEU 9 3HD1 LEU 9 -6.980 -2.876 -6.970 69 1HD2 LEU 9 1HD2 LEU 9 -4.411 -1.596 -6.445 70 2HD2 LEU 9 2HD2 LEU 9 -4.230 -1.427 -4.700 71 3HD2 LEU 9 3HD2 LEU 9 -5.654 -0.780 -5.507 72 H THR 10 H THR 10 -8.626 -3.501 -7.257 73 HA THR 10 HA THR 10 -9.209 -6.305 -6.626 74 HB THR 10 HB THR 10 -9.693 -4.662 -9.112 75 HG1 THR 10 1HG THR 10 -11.433 -5.938 -7.272 76 1HG2 THR 10 1HG2 THR 10 -11.052 -7.095 -9.325 77 2HG2 THR 10 2HG2 THR 10 -9.387 -7.500 -8.896 78 3HG2 THR 10 3HG2 THR 10 -9.717 -6.511 -10.321 79 H PHE 11 H PHE 11 -7.619 -7.723 -6.871 80 HA PHE 11 HA PHE 11 -5.188 -6.964 -8.271 81 1HB PHE 11 2HB PHE 11 -4.179 -8.841 -7.209 82 2HB PHE 11 1HB PHE 11 -5.219 -8.095 -6.004 83 HD1 PHE 11 1HD PHE 11 -7.433 -9.139 -5.507 84 HD2 PHE 11 2HD PHE 11 -4.476 -10.995 -7.917 85 HE1 PHE 11 1HE PHE 11 -8.569 -11.308 -5.213 86 HE2 PHE 11 2HE PHE 11 -5.581 -13.161 -7.639 87 HZ PHE 11 HZ PHE 11 -7.645 -13.314 -6.295 88 H THR 12 H THR 12 -4.125 -9.052 -9.402 89 HA THR 12 HA THR 12 -5.869 -9.569 -11.669 90 HB THR 12 HB THR 12 -3.385 -8.965 -11.803 91 HG1 THR 12 1HG THR 12 -3.402 -11.124 -13.359 92 1HG2 THR 12 1HG2 THR 12 -1.772 -10.707 -11.702 93 2HG2 THR 12 2HG2 THR 12 -3.007 -11.904 -11.324 94 3HG2 THR 12 3HG2 THR 12 -2.611 -10.652 -10.151 95 H ASP 13 H ASP 13 -4.832 -12.076 -12.492 96 HA ASP 13 HA ASP 13 -6.367 -13.812 -10.730 97 1HB ASP 13 2HB ASP 13 -5.150 -14.313 -13.453 98 2HB ASP 13 1HB ASP 13 -6.182 -15.451 -12.583 99 H ALA 14 H ALA 14 -3.150 -13.545 -12.108 100 HA ALA 14 HA ALA 14 -2.069 -15.909 -11.115 101 1HB ALA 14 1HB ALA 14 0.086 -14.970 -11.588 102 2HB ALA 14 2HB ALA 14 -0.568 -13.332 -11.554 103 3HB ALA 14 3HB ALA 14 -1.038 -14.442 -12.840 104 H ALA 15 H ALA 15 -2.271 -12.690 -9.617 105 HA ALA 15 HA ALA 15 -0.666 -13.139 -7.394 106 1HB ALA 15 1HB ALA 15 -1.437 -11.150 -6.705 107 2HB ALA 15 2HB ALA 15 -3.111 -11.699 -6.724 108 3HB ALA 15 3HB ALA 15 -2.358 -11.112 -8.211 109 H ALA 16 H ALA 16 -3.884 -14.209 -8.173 110 HA ALA 16 HA ALA 16 -4.518 -15.336 -5.614 111 1HB ALA 16 1HB ALA 16 -6.205 -14.754 -7.365 112 2HB ALA 16 2HB ALA 16 -6.346 -16.406 -6.768 113 3HB ALA 16 3HB ALA 16 -5.582 -16.087 -8.327 114 H ASN 17 H ASN 17 -3.225 -16.490 -8.656 115 HA ASN 17 HA ASN 17 -3.048 -19.204 -8.081 116 1HB ASN 17 2HB ASN 17 -1.529 -17.401 -9.953 117 2HB ASN 17 1HB ASN 17 -1.189 -19.123 -9.855 118 1HD2 ASN 17 1HD2 ASN 17 -3.831 -16.841 -10.328 119 2HD2 ASN 17 2HD2 ASN 17 -4.697 -17.801 -11.464 120 H LYS 18 H LYS 18 -0.838 -16.553 -7.353 121 HA LYS 18 HA LYS 18 1.335 -18.212 -6.587 122 1HB LYS 18 2HB LYS 18 1.398 -15.753 -7.259 123 2HB LYS 18 1HB LYS 18 0.833 -15.402 -5.632 124 1HG LYS 18 2HG LYS 18 3.052 -17.176 -5.465 125 2HG LYS 18 1HG LYS 18 3.476 -15.824 -6.517 126 1HD LYS 18 2HD LYS 18 3.946 -14.766 -4.595 127 2HD LYS 18 1HD LYS 18 2.198 -14.542 -4.498 128 1HE LYS 18 2HE LYS 18 3.335 -15.436 -2.431 129 2HE LYS 18 1HE LYS 18 1.950 -16.354 -3.020 130 1HZ LYS 18 1HZ LYS 18 4.639 -17.113 -3.921 131 2HZ LYS 18 2HZ LYS 18 3.268 -18.079 -3.697 132 3HZ LYS 18 3HZ LYS 18 4.156 -17.548 -2.358 133 H VAL 19 H VAL 19 -1.534 -17.093 -5.031 134 HA VAL 19 HA VAL 19 -0.627 -17.652 -2.354 135 HB VAL 19 HB VAL 19 -3.381 -17.038 -3.443 136 1HG1 VAL 19 1HG1 VAL 19 -2.512 -17.928 -0.823 137 2HG1 VAL 19 2HG1 VAL 19 -4.137 -17.788 -1.486 138 3HG1 VAL 19 3HG1 VAL 19 -3.358 -16.382 -0.758 139 1HG2 VAL 19 1HG2 VAL 19 -2.578 -14.966 -3.600 140 2HG2 VAL 19 2HG2 VAL 19 -1.095 -15.394 -2.752 141 3HG2 VAL 19 3HG2 VAL 19 -2.536 -14.946 -1.839 142 H LYS 20 H LYS 20 -3.302 -18.922 -4.316 143 HA LYS 20 HA LYS 20 -3.834 -21.187 -2.825 144 1HB LYS 20 2HB LYS 20 -4.700 -22.092 -5.066 145 2HB LYS 20 1HB LYS 20 -5.454 -20.658 -4.401 146 1HG LYS 20 2HG LYS 20 -4.898 -19.435 -6.169 147 2HG LYS 20 1HG LYS 20 -3.228 -20.002 -6.129 148 1HD LYS 20 2HD LYS 20 -4.421 -20.586 -8.233 149 2HD LYS 20 1HD LYS 20 -3.814 -21.993 -7.357 150 1HE LYS 20 2HE LYS 20 -6.205 -21.976 -6.289 151 2HE LYS 20 1HE LYS 20 -6.617 -21.044 -7.728 152 1HZ LYS 20 1HZ LYS 20 -5.270 -23.063 -8.818 153 2HZ LYS 20 2HZ LYS 20 -6.942 -23.090 -8.580 154 3HZ LYS 20 3HZ LYS 20 -5.919 -23.851 -7.468 155 H SER 21 H SER 21 -1.179 -20.583 -4.923 156 HA SER 21 HA SER 21 -0.686 -23.377 -5.415 157 1HB SER 21 2HB SER 21 -0.219 -21.810 -7.208 158 2HB SER 21 1HB SER 21 0.916 -20.939 -6.183 159 HG SER 21 HG SER 21 2.274 -22.702 -6.214 160 H LEU 22 H LEU 22 0.890 -20.771 -3.601 161 HA LEU 22 HA LEU 22 2.888 -22.609 -2.638 162 1HB LEU 22 2HB LEU 22 4.094 -20.811 -2.050 163 2HB LEU 22 1HB LEU 22 2.961 -19.942 -3.062 164 HG LEU 22 HG LEU 22 3.368 -18.761 -0.985 165 1HD1 LEU 22 1HD1 LEU 22 1.290 -18.257 -1.811 166 2HD1 LEU 22 2HD1 LEU 22 0.931 -18.761 -0.159 167 3HD1 LEU 22 3HD1 LEU 22 0.656 -19.867 -1.495 168 1HD2 LEU 22 1HD2 LEU 22 3.326 -19.644 1.076 169 2HD2 LEU 22 2HD2 LEU 22 3.536 -21.177 0.230 170 3HD2 LEU 22 3HD2 LEU 22 1.923 -20.661 0.731 171 H ILE 23 H ILE 23 -0.195 -21.446 -1.602 172 HA ILE 23 HA ILE 23 0.129 -22.082 1.147 173 HB ILE 23 HB ILE 23 -2.324 -21.926 1.260 174 1HG1 ILE 23 2HG1 ILE 23 -3.121 -20.786 -1.055 175 2HG1 ILE 23 1HG1 ILE 23 -1.976 -21.976 -1.660 176 1HG2 ILE 23 1HG2 ILE 23 -0.527 -19.829 0.272 177 2HG2 ILE 23 2HG2 ILE 23 -1.552 -19.857 1.702 178 3HG2 ILE 23 3HG2 ILE 23 -2.246 -19.486 0.122 179 1HD1 ILE 23 1HD1 ILE 23 -3.534 -23.531 -1.489 180 2HD1 ILE 23 2HD1 ILE 23 -4.658 -22.347 -0.814 181 3HD1 ILE 23 3HD1 ILE 23 -3.599 -23.262 0.250 182 H SER 24 H SER 24 -1.432 -23.645 -1.608 183 HA SER 24 HA SER 24 -2.272 -25.969 -0.316 184 1HB SER 24 2HB SER 24 -1.718 -25.175 -3.127 185 2HB SER 24 1HB SER 24 -1.772 -26.903 -2.788 186 HG SER 24 HG SER 24 -3.826 -25.916 -3.368 187 H GLU 25 H GLU 25 0.809 -24.828 -1.308 188 HA GLU 25 HA GLU 25 2.126 -27.373 -1.251 189 1HB GLU 25 2HB GLU 25 2.776 -24.675 -2.028 190 2HB GLU 25 1HB GLU 25 4.034 -25.317 -0.988 191 1HG GLU 25 2HG GLU 25 4.543 -27.041 -2.464 192 2HG GLU 25 1HG GLU 25 3.008 -26.890 -3.319 193 H GLU 26 H GLU 26 1.192 -24.958 1.010 194 HA GLU 26 HA GLU 26 3.170 -25.650 2.981 195 1HB GLU 26 2HB GLU 26 0.639 -24.046 3.202 196 2HB GLU 26 1HB GLU 26 1.826 -24.210 4.480 197 1HG GLU 26 2HG GLU 26 2.850 -23.271 1.886 198 2HG GLU 26 1HG GLU 26 1.766 -22.174 2.737 199 H GLU 27 H GLU 27 0.202 -26.864 1.909 200 HA GLU 27 HA GLU 27 -0.874 -28.793 2.484 201 1HB GLU 27 2HB GLU 27 1.475 -29.174 3.818 202 2HB GLU 27 1HB GLU 27 0.336 -29.112 5.156 203 1HG GLU 27 2HG GLU 27 0.629 -31.395 4.491 204 2HG GLU 27 1HG GLU 27 -1.000 -30.871 4.048 205 H ASN 28 H ASN 28 -1.103 -25.864 3.605 206 HA ASN 28 HA ASN 28 -2.487 -25.990 6.034 207 1HB ASN 28 2HB ASN 28 -3.500 -24.022 4.049 208 2HB ASN 28 1HB ASN 28 -3.034 -23.790 5.728 209 1HD2 ASN 28 1HD2 ASN 28 -2.232 -23.295 2.550 210 2HD2 ASN 28 2HD2 ASN 28 -0.609 -22.773 2.772 211 H THR 29 H THR 29 -4.018 -25.380 2.889 212 HA THR 29 HA THR 29 -5.748 -27.455 2.626 213 HB THR 29 HB THR 29 -6.655 -27.326 4.788 214 HG1 THR 29 1HG THR 29 -8.246 -27.194 3.012 215 1HG2 THR 29 1HG2 THR 29 -5.819 -24.681 4.776 216 2HG2 THR 29 2HG2 THR 29 -6.677 -25.521 6.078 217 3HG2 THR 29 3HG2 THR 29 -7.581 -24.586 4.879 218 H ASP 30 H ASP 30 -5.990 -23.918 2.945 219 HA ASP 30 HA ASP 30 -6.350 -23.320 0.269 220 1HB ASP 30 2HB ASP 30 -8.798 -24.277 1.601 221 2HB ASP 30 1HB ASP 30 -8.971 -22.699 0.821 222 H LEU 31 H LEU 31 -4.875 -22.046 1.656 223 HA LEU 31 HA LEU 31 -5.670 -20.221 3.557 224 1HB LEU 31 2HB LEU 31 -3.367 -20.888 2.081 225 2HB LEU 31 1HB LEU 31 -3.520 -19.151 2.045 226 HG LEU 31 HG LEU 31 -2.150 -19.730 3.901 227 1HD1 LEU 31 1HD1 LEU 31 -3.302 -18.655 5.651 228 2HD1 LEU 31 2HD1 LEU 31 -4.863 -19.225 5.070 229 3HD1 LEU 31 3HD1 LEU 31 -3.977 -18.003 4.167 230 1HD2 LEU 31 1HD2 LEU 31 -4.058 -21.227 5.475 231 2HD2 LEU 31 2HD2 LEU 31 -2.380 -21.600 5.089 232 3HD2 LEU 31 3HD2 LEU 31 -3.670 -22.068 3.972 233 H LYS 32 H LYS 32 -5.854 -17.996 3.527 234 HA LYS 32 HA LYS 32 -6.956 -16.867 1.042 235 1HB LYS 32 2HB LYS 32 -7.612 -15.901 3.821 236 2HB LYS 32 1HB LYS 32 -8.493 -15.603 2.334 237 1HG LYS 32 2HG LYS 32 -9.366 -17.789 2.287 238 2HG LYS 32 1HG LYS 32 -8.238 -18.343 3.526 239 1HD LYS 32 2HD LYS 32 -10.487 -18.024 4.439 240 2HD LYS 32 1HD LYS 32 -9.329 -16.911 5.173 241 1HE LYS 32 2HE LYS 32 -10.093 -15.217 3.440 242 2HE LYS 32 1HE LYS 32 -11.426 -16.325 3.096 243 1HZ LYS 32 1HZ LYS 32 -10.972 -14.618 5.400 244 2HZ LYS 32 2HZ LYS 32 -11.599 -16.155 5.741 245 3HZ LYS 32 3HZ LYS 32 -12.422 -15.121 4.688 246 H LEU 33 H LEU 33 -5.767 -15.249 0.196 247 HA LEU 33 HA LEU 33 -3.394 -14.351 1.333 248 1HB LEU 33 2HB LEU 33 -4.195 -14.283 -1.100 249 2HB LEU 33 1HB LEU 33 -5.005 -12.794 -0.670 250 HG LEU 33 HG LEU 33 -2.759 -12.572 -1.801 251 1HD1 LEU 33 1HD1 LEU 33 -3.786 -11.173 0.529 252 2HD1 LEU 33 2HD1 LEU 33 -3.159 -10.542 -0.985 253 3HD1 LEU 33 3HD1 LEU 33 -2.048 -10.975 0.314 254 1HD2 LEU 33 1HD2 LEU 33 -0.911 -13.451 -0.937 255 2HD2 LEU 33 2HD2 LEU 33 -1.947 -14.351 0.168 256 3HD2 LEU 33 3HD2 LEU 33 -1.264 -12.803 0.663 257 H ARG 34 H ARG 34 -2.794 -12.436 2.335 258 HA ARG 34 HA ARG 34 -4.904 -10.610 3.161 259 1HB ARG 34 2HB ARG 34 -4.741 -12.209 4.994 260 2HB ARG 34 1HB ARG 34 -3.007 -11.956 5.085 261 1HG ARG 34 2HG ARG 34 -4.147 -9.415 5.330 262 2HG ARG 34 1HG ARG 34 -5.135 -10.484 6.326 263 1HD ARG 34 2HD ARG 34 -3.429 -10.947 7.765 264 2HD ARG 34 1HD ARG 34 -2.190 -10.761 6.526 265 HE ARG 34 HE ARG 34 -3.107 -8.242 6.850 266 1HH1 ARG 34 1HH1 ARG 34 -1.962 -10.659 9.092 267 2HH1 ARG 34 2HH1 ARG 34 -1.346 -9.500 10.220 268 1HH2 ARG 34 1HH2 ARG 34 -2.298 -6.716 8.335 269 2HH2 ARG 34 2HH2 ARG 34 -1.537 -7.262 9.791 270 H VAL 35 H VAL 35 -4.116 -8.971 1.983 271 HA VAL 35 HA VAL 35 -1.360 -8.335 1.775 272 HB VAL 35 HB VAL 35 -3.681 -6.526 1.172 273 1HG1 VAL 35 1HG1 VAL 35 -2.048 -5.706 -0.592 274 2HG1 VAL 35 2HG1 VAL 35 -0.809 -6.606 0.283 275 3HG1 VAL 35 3HG1 VAL 35 -1.673 -5.290 1.080 276 1HG2 VAL 35 1HG2 VAL 35 -4.171 -8.479 -0.001 277 2HG2 VAL 35 2HG2 VAL 35 -2.480 -8.775 -0.400 278 3HG2 VAL 35 3HG2 VAL 35 -3.354 -7.453 -1.176 279 H TYR 36 H TYR 36 -0.312 -6.468 2.398 280 HA TYR 36 HA TYR 36 -1.408 -4.868 4.570 281 1HB TYR 36 2HB TYR 36 1.106 -5.192 5.533 282 2HB TYR 36 1HB TYR 36 -0.273 -6.136 6.084 283 HD1 TYR 36 1HD TYR 36 3.003 -6.296 4.806 284 HD2 TYR 36 2HD TYR 36 -0.726 -8.338 4.737 285 HE1 TYR 36 1HE TYR 36 4.156 -8.359 4.127 286 HE2 TYR 36 2HE TYR 36 0.411 -10.406 4.060 287 HH TYR 36 HH TYR 36 3.523 -10.996 4.406 288 H ILE 37 H ILE 37 0.531 -3.188 5.137 289 HA ILE 37 HA ILE 37 1.028 -1.920 2.581 290 HB ILE 37 HB ILE 37 1.345 -0.991 5.423 291 1HG1 ILE 37 2HG1 ILE 37 -0.906 -0.948 4.459 292 2HG1 ILE 37 1HG1 ILE 37 -0.303 0.694 4.694 293 1HG2 ILE 37 1HG2 ILE 37 2.597 0.080 2.969 294 2HG2 ILE 37 2HG2 ILE 37 3.112 0.201 4.653 295 3HG2 ILE 37 3HG2 ILE 37 1.829 1.253 4.046 296 1HD1 ILE 37 1HD1 ILE 37 -1.163 0.899 2.612 297 2HD1 ILE 37 2HD1 ILE 37 -0.870 -0.789 2.197 298 3HD1 ILE 37 3HD1 ILE 37 0.462 0.367 2.186 299 H THR 38 H THR 38 2.785 -2.288 1.459 300 HA THR 38 HA THR 38 5.391 -2.264 2.697 301 HB THR 38 HB THR 38 4.636 -4.697 1.092 302 HG1 THR 38 1HG THR 38 4.494 -5.784 3.073 303 1HG2 THR 38 1HG2 THR 38 7.036 -3.842 2.605 304 2HG2 THR 38 2HG2 THR 38 6.905 -4.674 1.056 305 3HG2 THR 38 3HG2 THR 38 6.621 -5.557 2.558 306 H GLY 39 H GLY 39 3.984 -0.641 0.792 307 1HA GLY 39 2HA GLY 39 4.715 -1.181 -1.870 308 2HA GLY 39 1HA GLY 39 4.322 0.405 -1.222 309 H GLY 40 H GLY 40 5.888 1.529 -2.309 310 1HA GLY 40 2HA GLY 40 8.673 0.685 -2.020 311 2HA GLY 40 1HA GLY 40 8.076 1.966 -3.072 312 H GLY 41 H GLY 41 7.037 1.841 0.241 313 1HA GLY 41 2HA GLY 41 7.715 3.046 2.105 314 2HA GLY 41 1HA GLY 41 9.102 3.622 1.193 315 H CYS 42 H CYS 42 8.724 5.346 -0.383 316 HA CYS 42 HA CYS 42 7.261 7.473 0.739 317 1HB CYS 42 2HB CYS 42 8.660 7.060 -1.884 318 2HB CYS 42 1HB CYS 42 7.705 8.513 -1.607 319 HG CYS 42 HG CYS 42 9.394 9.333 0.064 320 H SER 43 H SER 43 6.456 5.074 -1.662 321 HA SER 43 HA SER 43 3.765 6.256 -1.860 322 1HB SER 43 2HB SER 43 5.081 4.738 -4.112 323 2HB SER 43 1HB SER 43 3.624 5.730 -4.173 324 HG SER 43 HG SER 43 5.782 6.616 -4.937 325 H GLY 44 H GLY 44 2.429 4.340 -3.188 326 1HA GLY 44 2HA GLY 44 2.926 1.813 -1.772 327 2HA GLY 44 1HA GLY 44 1.359 2.591 -1.598 328 H PHE 45 H PHE 45 3.390 0.674 -3.607 329 HA PHE 45 HA PHE 45 1.131 0.240 -5.423 330 1HB PHE 45 2HB PHE 45 2.500 0.377 -7.390 331 2HB PHE 45 1HB PHE 45 2.753 1.857 -6.460 332 HD1 PHE 45 1HD PHE 45 4.732 1.503 -4.614 333 HD2 PHE 45 2HD PHE 45 4.374 -0.494 -8.353 334 HE1 PHE 45 1HE PHE 45 7.145 1.066 -4.603 335 HE2 PHE 45 2HE PHE 45 6.794 -0.933 -8.356 336 HZ PHE 45 HZ PHE 45 8.186 -0.151 -6.477 337 H GLN 46 H GLN 46 3.224 -1.138 -3.312 338 HA GLN 46 HA GLN 46 3.353 -3.644 -4.845 339 1HB GLN 46 2HB GLN 46 5.036 -2.999 -2.438 340 2HB GLN 46 1HB GLN 46 5.285 -4.264 -3.632 341 1HG GLN 46 2HG GLN 46 5.955 -2.719 -5.277 342 2HG GLN 46 1HG GLN 46 5.394 -1.345 -4.322 343 1HE2 GLN 46 1HE2 GLN 46 7.441 -4.162 -3.785 344 2HE2 GLN 46 2HE2 GLN 46 8.766 -3.296 -3.083 345 H TYR 47 H TYR 47 3.470 -2.899 -1.360 346 HA TYR 47 HA TYR 47 2.221 -3.662 0.385 347 1HB TYR 47 2HB TYR 47 0.256 -4.767 -1.619 348 2HB TYR 47 1HB TYR 47 -0.045 -4.336 0.061 349 HD1 TYR 47 1HD TYR 47 0.210 -3.123 -3.344 350 HD2 TYR 47 2HD TYR 47 -0.124 -1.954 0.731 351 HE1 TYR 47 1HE TYR 47 -0.464 -0.866 -4.053 352 HE2 TYR 47 2HE TYR 47 -0.801 0.304 0.035 353 HH TYR 47 HH TYR 47 -2.005 1.158 -2.517 354 H GLY 48 H GLY 48 2.771 -5.331 1.582 355 1HA GLY 48 2HA GLY 48 3.815 -7.715 0.350 356 2HA GLY 48 1HA GLY 48 3.746 -7.377 2.072 357 H PHE 49 H PHE 49 2.876 -9.619 0.056 358 HA PHE 49 HA PHE 49 0.136 -9.970 1.020 359 1HB PHE 49 2HB PHE 49 1.678 -11.011 -1.312 360 2HB PHE 49 1HB PHE 49 0.317 -11.943 -0.709 361 HD1 PHE 49 1HD PHE 49 0.653 -8.267 -0.808 362 HD2 PHE 49 2HD PHE 49 -1.220 -11.716 -2.433 363 HE1 PHE 49 1HE PHE 49 -0.892 -6.826 -2.052 364 HE2 PHE 49 2HE PHE 49 -2.788 -10.295 -3.678 365 HZ PHE 49 HZ PHE 49 -2.621 -7.839 -3.499 366 H THR 50 H THR 50 -0.443 -11.531 2.365 367 HA THR 50 HA THR 50 1.471 -13.689 2.952 368 HB THR 50 HB THR 50 1.398 -11.891 4.766 369 HG1 THR 50 1HG THR 50 0.580 -14.460 5.621 370 1HG2 THR 50 1HG2 THR 50 -0.410 -11.550 6.089 371 2HG2 THR 50 2HG2 THR 50 -1.075 -13.159 5.788 372 3HG2 THR 50 3HG2 THR 50 -1.231 -11.895 4.567 373 H PHE 51 H PHE 51 0.359 -15.585 4.007 374 HA PHE 51 HA PHE 51 -2.307 -15.879 2.822 375 1HB PHE 51 2HB PHE 51 -0.497 -18.166 3.580 376 2HB PHE 51 1HB PHE 51 -1.802 -18.134 2.391 377 HD1 PHE 51 1HD PHE 51 -1.517 -16.759 0.318 378 HD2 PHE 51 2HD PHE 51 1.692 -17.605 2.969 379 HE1 PHE 51 1HE PHE 51 0.088 -16.071 -1.422 380 HE2 PHE 51 2HE PHE 51 3.310 -16.934 1.244 381 HZ PHE 51 HZ PHE 51 2.508 -16.156 -0.943 382 H ASP 52 H ASP 52 -3.629 -15.268 4.335 383 HA ASP 52 HA ASP 52 -3.463 -16.521 6.991 384 1HB ASP 52 2HB ASP 52 -3.086 -14.193 7.236 385 2HB ASP 52 1HB ASP 52 -4.396 -13.795 6.126 386 H GLU 53 H GLU 53 -4.846 -18.175 6.988 387 HA GLU 53 HA GLU 53 -7.305 -18.157 5.515 388 1HB GLU 53 2HB GLU 53 -5.622 -20.103 6.634 389 2HB GLU 53 1HB GLU 53 -7.159 -20.264 7.472 390 1HG GLU 53 2HG GLU 53 -7.564 -19.954 4.645 391 2HG GLU 53 1HG GLU 53 -6.474 -21.292 4.985 392 H LYS 54 H LYS 54 -6.444 -17.236 8.738 393 HA LYS 54 HA LYS 54 -8.840 -17.827 10.035 394 1HB LYS 54 2HB LYS 54 -8.130 -15.742 11.492 395 2HB LYS 54 1HB LYS 54 -7.275 -17.259 11.585 396 1HG LYS 54 2HG LYS 54 -6.008 -15.837 9.559 397 2HG LYS 54 1HG LYS 54 -6.323 -14.661 10.832 398 1HD LYS 54 2HD LYS 54 -4.436 -15.445 11.747 399 2HD LYS 54 1HD LYS 54 -5.429 -16.818 12.243 400 1HE LYS 54 2HE LYS 54 -4.353 -18.210 10.872 401 2HE LYS 54 1HE LYS 54 -4.470 -17.085 9.516 402 1HZ LYS 54 1HZ LYS 54 -2.579 -15.856 10.611 403 2HZ LYS 54 2HZ LYS 54 -2.191 -17.363 9.946 404 3HZ LYS 54 3HZ LYS 54 -2.384 -17.202 11.614 405 H VAL 55 H VAL 55 -8.296 -14.420 10.109 406 HA VAL 55 HA VAL 55 -9.825 -13.353 8.130 407 HB VAL 55 HB VAL 55 -11.582 -14.961 8.927 408 1HG1 VAL 55 1HG1 VAL 55 -10.976 -13.915 11.419 409 2HG1 VAL 55 2HG1 VAL 55 -12.293 -15.017 11.024 410 3HG1 VAL 55 3HG1 VAL 55 -12.576 -13.274 11.037 411 1HG2 VAL 55 1HG2 VAL 55 -13.403 -13.437 8.580 412 2HG2 VAL 55 2HG2 VAL 55 -12.045 -12.947 7.556 413 3HG2 VAL 55 3HG2 VAL 55 -12.389 -12.071 9.048 414 H ASN 56 H ASN 56 -7.835 -12.540 9.827 415 HA ASN 56 HA ASN 56 -7.856 -11.084 11.951 416 1HB ASN 56 2HB ASN 56 -7.323 -9.355 9.568 417 2HB ASN 56 1HB ASN 56 -6.415 -9.503 11.068 418 1HD2 ASN 56 1HD2 ASN 56 -6.108 -12.232 11.175 419 2HD2 ASN 56 2HD2 ASN 56 -5.092 -12.744 9.873 420 H ASP 57 H ASP 57 -9.825 -10.523 12.859 421 HA ASP 57 HA ASP 57 -11.955 -9.255 11.686 422 1HB ASP 57 2HB ASP 57 -11.014 -8.575 14.471 423 2HB ASP 57 1HB ASP 57 -12.663 -8.554 13.853 424 H GLY 58 H GLY 58 -12.291 -7.369 10.774 425 1HA GLY 58 2HA GLY 58 -12.165 -5.016 10.555 426 2HA GLY 58 1HA GLY 58 -10.720 -5.027 11.569 427 H ASP 59 H ASP 59 -11.354 -7.129 8.846 428 HA ASP 59 HA ASP 59 -9.312 -5.754 7.237 429 1HB ASP 59 2HB ASP 59 -8.251 -7.878 6.702 430 2HB ASP 59 1HB ASP 59 -8.312 -7.704 8.447 431 H LEU 60 H LEU 60 -10.434 -5.077 5.476 432 HA LEU 60 HA LEU 60 -12.811 -6.252 4.566 433 1HB LEU 60 2HB LEU 60 -10.928 -4.695 2.806 434 2HB LEU 60 1HB LEU 60 -12.674 -4.841 2.660 435 HG LEU 60 HG LEU 60 -11.064 -3.035 4.359 436 1HD1 LEU 60 1HD1 LEU 60 -12.241 -2.106 2.520 437 2HD1 LEU 60 2HD1 LEU 60 -13.100 -1.618 3.974 438 3HD1 LEU 60 3HD1 LEU 60 -13.728 -2.924 2.970 439 1HD2 LEU 60 1HD2 LEU 60 -13.220 -2.826 5.835 440 2HD2 LEU 60 2HD2 LEU 60 -11.988 -4.034 6.226 441 3HD2 LEU 60 3HD2 LEU 60 -13.457 -4.513 5.374 442 H THR 61 H THR 61 -13.224 -7.956 3.273 443 HA THR 61 HA THR 61 -10.882 -9.320 2.160 444 HB THR 61 HB THR 61 -11.779 -11.384 2.714 445 HG1 THR 61 1HG THR 61 -13.831 -11.218 1.904 446 1HG2 THR 61 1HG2 THR 61 -11.964 -11.359 4.962 447 2HG2 THR 61 2HG2 THR 61 -13.126 -10.032 4.967 448 3HG2 THR 61 3HG2 THR 61 -11.412 -9.700 4.736 449 H ILE 62 H ILE 62 -10.717 -9.628 0.127 450 HA ILE 62 HA ILE 62 -13.074 -9.466 -1.636 451 HB ILE 62 HB ILE 62 -10.903 -9.234 -3.309 452 1HG1 ILE 62 2HG1 ILE 62 -9.445 -9.011 -1.263 453 2HG1 ILE 62 1HG1 ILE 62 -9.317 -7.691 -2.420 454 1HG2 ILE 62 1HG2 ILE 62 -13.075 -7.643 -2.451 455 2HG2 ILE 62 2HG2 ILE 62 -12.167 -7.553 -3.961 456 3HG2 ILE 62 3HG2 ILE 62 -11.655 -6.605 -2.565 457 1HD1 ILE 62 1HD1 ILE 62 -9.636 -6.310 -0.721 458 2HD1 ILE 62 2HD1 ILE 62 -10.052 -7.640 0.360 459 3HD1 ILE 62 3HD1 ILE 62 -11.298 -6.892 -0.639 460 H GLU 63 H GLU 63 -13.530 -11.352 -2.757 461 HA GLU 63 HA GLU 63 -12.218 -13.732 -2.101 462 1HB GLU 63 2HB GLU 63 -14.551 -13.417 -3.065 463 2HB GLU 63 1HB GLU 63 -13.773 -13.344 -4.639 464 1HG GLU 63 2HG GLU 63 -12.893 -15.570 -4.346 465 2HG GLU 63 1HG GLU 63 -13.556 -15.647 -2.716 466 H LYS 64 H LYS 64 -10.909 -15.146 -3.334 467 HA LYS 64 HA LYS 64 -9.172 -13.741 -5.237 468 1HB LYS 64 2HB LYS 64 -8.390 -14.828 -2.950 469 2HB LYS 64 1HB LYS 64 -8.373 -16.292 -3.917 470 1HG LYS 64 2HG LYS 64 -6.270 -15.703 -4.345 471 2HG LYS 64 1HG LYS 64 -7.007 -14.642 -5.537 472 1HD LYS 64 2HD LYS 64 -6.914 -12.778 -4.013 473 2HD LYS 64 1HD LYS 64 -6.363 -13.829 -2.705 474 1HE LYS 64 2HE LYS 64 -4.308 -14.267 -3.843 475 2HE LYS 64 1HE LYS 64 -4.859 -13.399 -5.272 476 1HZ LYS 64 1HZ LYS 64 -4.661 -11.362 -4.206 477 2HZ LYS 64 2HZ LYS 64 -3.298 -12.204 -3.667 478 3HZ LYS 64 3HZ LYS 64 -4.645 -12.045 -2.658 479 H SER 65 H SER 65 -8.294 -15.025 -7.007 480 HA SER 65 HA SER 65 -10.175 -16.224 -8.599 481 1HB SER 65 2HB SER 65 -7.570 -15.541 -8.899 482 2HB SER 65 1HB SER 65 -7.443 -17.302 -8.901 483 HG SER 65 HG SER 65 -8.797 -17.391 -10.651 484 H GLY 66 H GLY 66 -8.059 -17.727 -6.225 485 1HA GLY 66 2HA GLY 66 -9.665 -20.179 -6.478 486 2HA GLY 66 1HA GLY 66 -7.910 -20.273 -6.446 487 H VAL 67 H VAL 67 -9.037 -17.782 -4.506 488 HA VAL 67 HA VAL 67 -9.539 -19.355 -2.132 489 HB VAL 67 HB VAL 67 -7.679 -18.569 -0.832 490 1HG1 VAL 67 1HG1 VAL 67 -7.369 -20.604 -2.198 491 2HG1 VAL 67 2HG1 VAL 67 -5.859 -19.756 -1.853 492 3HG1 VAL 67 3HG1 VAL 67 -6.613 -19.612 -3.443 493 1HG2 VAL 67 1HG2 VAL 67 -7.491 -16.368 -2.068 494 2HG2 VAL 67 2HG2 VAL 67 -6.546 -17.233 -3.276 495 3HG2 VAL 67 3HG2 VAL 67 -5.968 -17.131 -1.614 496 H GLN 68 H GLN 68 -8.641 -17.040 -0.435 497 HA GLN 68 HA GLN 68 -10.598 -15.019 -1.281 498 1HB GLN 68 2HB GLN 68 -10.716 -16.731 1.045 499 2HB GLN 68 1HB GLN 68 -10.633 -15.041 1.527 500 1HG GLN 68 2HG GLN 68 -12.536 -15.708 -0.631 501 2HG GLN 68 1HG GLN 68 -12.911 -16.307 0.981 502 1HE2 GLN 68 1HE2 GLN 68 -11.246 -13.336 0.136 503 2HE2 GLN 68 2HE2 GLN 68 -12.424 -12.266 0.786 504 H LEU 69 H LEU 69 -9.852 -12.972 -1.176 505 HA LEU 69 HA LEU 69 -7.221 -12.569 0.063 506 1HB LEU 69 2HB LEU 69 -7.264 -11.927 -2.234 507 2HB LEU 69 1HB LEU 69 -8.735 -11.006 -2.017 508 HG LEU 69 HG LEU 69 -7.633 -9.217 -1.020 509 1HD1 LEU 69 1HD1 LEU 69 -6.222 -9.650 0.642 510 2HD1 LEU 69 2HD1 LEU 69 -4.981 -9.882 -0.586 511 3HD1 LEU 69 3HD1 LEU 69 -5.878 -11.263 0.023 512 1HD2 LEU 69 1HD2 LEU 69 -5.919 -8.604 -2.522 513 2HD2 LEU 69 2HD2 LEU 69 -7.016 -9.648 -3.427 514 3HD2 LEU 69 3HD2 LEU 69 -5.491 -10.288 -2.817 515 H VAL 70 H VAL 70 -6.944 -11.246 1.784 516 HA VAL 70 HA VAL 70 -9.130 -9.463 2.554 517 HB VAL 70 HB VAL 70 -9.571 -10.402 4.565 518 1HG1 VAL 70 1HG1 VAL 70 -10.029 -12.210 3.086 519 2HG1 VAL 70 2HG1 VAL 70 -9.307 -12.886 4.546 520 3HG1 VAL 70 3HG1 VAL 70 -8.336 -12.708 3.082 521 1HG2 VAL 70 1HG2 VAL 70 -7.932 -11.626 5.964 522 2HG2 VAL 70 2HG2 VAL 70 -7.415 -9.987 5.569 523 3HG2 VAL 70 3HG2 VAL 70 -6.717 -11.362 4.715 524 H ILE 71 H ILE 71 -8.249 -7.494 2.623 525 HA ILE 71 HA ILE 71 -5.460 -7.278 3.523 526 HB ILE 71 HB ILE 71 -5.161 -5.360 2.245 527 1HG1 ILE 71 2HG1 ILE 71 -7.205 -4.170 2.976 528 2HG1 ILE 71 1HG1 ILE 71 -6.927 -4.027 1.246 529 1HG2 ILE 71 1HG2 ILE 71 -7.113 -6.945 0.591 530 2HG2 ILE 71 2HG2 ILE 71 -5.462 -7.458 0.934 531 3HG2 ILE 71 3HG2 ILE 71 -5.754 -5.978 0.021 532 1HD1 ILE 71 1HD1 ILE 71 -9.134 -4.495 1.199 533 2HD1 ILE 71 2HD1 ILE 71 -9.089 -5.401 2.712 534 3HD1 ILE 71 3HD1 ILE 71 -8.521 -6.150 1.219 535 H ASP 72 H ASP 72 -4.889 -5.193 4.613 536 HA ASP 72 HA ASP 72 -6.734 -4.834 6.843 537 1HB ASP 72 2HB ASP 72 -4.826 -3.731 7.958 538 2HB ASP 72 1HB ASP 72 -4.419 -5.349 7.382 539 HA PRO 73 HA PRO 73 -8.514 -0.944 5.813 540 1HB PRO 73 2HB PRO 73 -7.605 -0.177 8.556 541 2HB PRO 73 1HB PRO 73 -9.189 0.031 7.797 542 1HG PRO 73 2HG PRO 73 -8.781 -1.922 9.553 543 2HG PRO 73 1HG PRO 73 -9.778 -2.191 8.112 544 1HD PRO 73 2HD PRO 73 -7.022 -3.128 8.710 545 2HD PRO 73 1HD PRO 73 -8.284 -3.894 7.733 546 H MET 74 H MET 74 -5.357 -0.897 7.441 547 HA MET 74 HA MET 74 -4.621 1.707 6.882 548 1HB MET 74 2HB MET 74 -3.064 0.836 8.272 549 2HB MET 74 1HB MET 74 -3.258 -0.783 7.625 550 1HG MET 74 2HG MET 74 -1.562 -0.547 6.154 551 2HG MET 74 1HG MET 74 -1.840 1.176 5.913 552 1HE MET 74 1HE MET 74 -1.305 2.961 7.589 553 2HE MET 74 2HE MET 74 -0.092 2.850 8.865 554 3HE MET 74 3HE MET 74 -1.718 2.223 9.137 555 H SER 75 H SER 75 -4.158 -1.231 4.998 556 HA SER 75 HA SER 75 -2.950 0.137 2.792 557 1HB SER 75 2HB SER 75 -4.200 -2.620 2.823 558 2HB SER 75 1HB SER 75 -3.043 -1.997 1.648 559 HG SER 75 HG SER 75 -2.566 -2.427 4.414 560 H LEU 76 H LEU 76 -6.182 -0.757 3.750 561 HA LEU 76 HA LEU 76 -7.586 -0.747 1.425 562 1HB LEU 76 2HB LEU 76 -8.992 -1.165 3.109 563 2HB LEU 76 1HB LEU 76 -8.161 -0.093 4.208 564 HG LEU 76 HG LEU 76 -9.996 0.950 2.067 565 1HD1 LEU 76 1HD1 LEU 76 -11.357 -0.511 3.336 566 2HD1 LEU 76 2HD1 LEU 76 -11.642 1.113 3.965 567 3HD1 LEU 76 3HD1 LEU 76 -10.591 -0.002 4.840 568 1HD2 LEU 76 1HD2 LEU 76 -10.066 2.577 4.271 569 2HD2 LEU 76 2HD2 LEU 76 -9.090 2.839 2.828 570 3HD2 LEU 76 3HD2 LEU 76 -8.390 2.034 4.236 571 H GLN 77 H GLN 77 -6.572 2.159 3.212 572 HA GLN 77 HA GLN 77 -7.715 3.955 1.311 573 1HB GLN 77 2HB GLN 77 -5.486 4.595 3.246 574 2HB GLN 77 1HB GLN 77 -6.535 5.738 2.430 575 1HG GLN 77 2HG GLN 77 -7.731 5.743 4.285 576 2HG GLN 77 1HG GLN 77 -8.308 4.160 3.792 577 1HE2 GLN 77 1HE2 GLN 77 -5.578 3.015 4.187 578 2HE2 GLN 77 2HE2 GLN 77 -5.420 2.842 5.887 579 H TYR 78 H TYR 78 -4.725 2.223 1.556 580 HA TYR 78 HA TYR 78 -3.340 3.928 -0.299 581 1HB TYR 78 2HB TYR 78 -2.633 1.294 0.981 582 2HB TYR 78 1HB TYR 78 -1.580 2.116 -0.171 583 HD1 TYR 78 1HD TYR 78 0.212 3.097 0.872 584 HD2 TYR 78 2HD TYR 78 -3.577 3.228 2.806 585 HE1 TYR 78 1HE TYR 78 1.198 4.400 2.706 586 HE2 TYR 78 2HE TYR 78 -2.600 4.532 4.643 587 HH TYR 78 HH TYR 78 0.330 4.684 5.439 588 H LEU 79 H LEU 79 -4.910 0.774 -0.388 589 HA LEU 79 HA LEU 79 -4.182 0.461 -3.177 590 1HB LEU 79 2HB LEU 79 -5.010 -1.771 -3.067 591 2HB LEU 79 1HB LEU 79 -3.946 -1.455 -1.726 592 HG LEU 79 HG LEU 79 -6.297 -2.787 -1.562 593 1HD1 LEU 79 1HD1 LEU 79 -5.065 -3.129 0.263 594 2HD1 LEU 79 2HD1 LEU 79 -6.053 -1.845 0.960 595 3HD1 LEU 79 3HD1 LEU 79 -4.465 -1.470 0.292 596 1HD2 LEU 79 1HD2 LEU 79 -7.890 -1.411 -0.336 597 2HD2 LEU 79 2HD2 LEU 79 -7.674 -0.828 -1.984 598 3HD2 LEU 79 3HD2 LEU 79 -6.900 0.012 -0.641 599 H ILE 80 H ILE 80 -6.821 1.703 -1.480 600 HA ILE 80 HA ILE 80 -9.159 1.262 -2.392 601 HB ILE 80 HB ILE 80 -9.748 3.550 -2.720 602 1HG1 ILE 80 2HG1 ILE 80 -8.083 4.189 -4.361 603 2HG1 ILE 80 1HG1 ILE 80 -8.036 5.318 -3.010 604 1HG2 ILE 80 1HG2 ILE 80 -9.155 2.954 -0.451 605 2HG2 ILE 80 2HG2 ILE 80 -8.696 4.624 -0.788 606 3HG2 ILE 80 3HG2 ILE 80 -7.469 3.359 -0.774 607 1HD1 ILE 80 1HD1 ILE 80 -6.104 4.056 -2.112 608 2HD1 ILE 80 2HD1 ILE 80 -5.802 4.806 -3.679 609 3HD1 ILE 80 3HD1 ILE 80 -6.122 3.078 -3.573 610 H GLY 81 H GLY 81 -10.140 0.551 -4.069 611 1HA GLY 81 2HA GLY 81 -10.410 -0.256 -6.223 612 2HA GLY 81 1HA GLY 81 -10.647 1.464 -6.474 613 H GLY 82 H GLY 82 -7.509 -0.048 -5.783 614 1HA GLY 82 2HA GLY 82 -6.506 1.085 -8.275 615 2HA GLY 82 1HA GLY 82 -5.542 0.305 -7.023 616 H THR 83 H THR 83 -4.422 -0.995 -8.524 617 HA THR 83 HA THR 83 -5.881 -3.385 -9.292 618 HB THR 83 HB THR 83 -4.550 -1.565 -11.289 619 HG1 THR 83 1HG THR 83 -6.527 -1.958 -12.388 620 1HG2 THR 83 1HG2 THR 83 -3.707 -3.332 -12.340 621 2HG2 THR 83 2HG2 THR 83 -5.377 -3.747 -12.731 622 3HG2 THR 83 3HG2 THR 83 -4.593 -4.470 -11.322 623 H VAL 84 H VAL 84 -4.642 -5.184 -9.093 624 HA VAL 84 HA VAL 84 -1.731 -4.812 -8.906 625 HB VAL 84 HB VAL 84 -1.679 -5.375 -6.775 626 1HG1 VAL 84 1HG1 VAL 84 -4.036 -4.498 -6.725 627 2HG1 VAL 84 2HG1 VAL 84 -3.563 -5.554 -5.400 628 3HG1 VAL 84 3HG1 VAL 84 -4.561 -6.180 -6.709 629 1HG2 VAL 84 1HG2 VAL 84 -1.230 -7.601 -7.412 630 2HG2 VAL 84 2HG2 VAL 84 -2.936 -7.937 -7.699 631 3HG2 VAL 84 3HG2 VAL 84 -2.353 -7.678 -6.057 632 H ASP 85 H ASP 85 -0.446 -6.622 -9.380 633 HA ASP 85 HA ASP 85 -1.709 -8.992 -10.426 634 1HB ASP 85 2HB ASP 85 -0.280 -8.748 -12.585 635 2HB ASP 85 1HB ASP 85 -1.812 -7.880 -12.469 636 H TYR 86 H TYR 86 -0.345 -10.766 -10.492 637 HA TYR 86 HA TYR 86 2.335 -10.313 -9.361 638 1HB TYR 86 2HB TYR 86 0.190 -11.764 -8.322 639 2HB TYR 86 1HB TYR 86 1.297 -12.982 -8.935 640 HD1 TYR 86 1HD TYR 86 3.907 -12.038 -8.370 641 HD2 TYR 86 2HD TYR 86 0.382 -11.553 -6.053 642 HE1 TYR 86 1HE TYR 86 5.281 -11.831 -6.349 643 HE2 TYR 86 2HE TYR 86 1.738 -11.332 -4.013 644 HH TYR 86 HH TYR 86 5.093 -10.847 -4.087 645 H THR 87 H THR 87 4.043 -11.502 -10.161 646 HA THR 87 HA THR 87 3.575 -13.448 -12.257 647 HB THR 87 HB THR 87 5.127 -10.910 -12.757 648 HG1 THR 87 1HG THR 87 3.543 -10.638 -14.392 649 1HG2 THR 87 1HG2 THR 87 5.843 -11.685 -14.785 650 2HG2 THR 87 2HG2 THR 87 4.591 -12.924 -14.877 651 3HG2 THR 87 3HG2 THR 87 5.973 -13.145 -13.804 652 H GLU 88 H GLU 88 4.544 -14.938 -10.854 653 HA GLU 88 HA GLU 88 7.380 -14.456 -10.253 654 1HB GLU 88 2HB GLU 88 7.227 -16.090 -8.516 655 2HB GLU 88 1HB GLU 88 5.857 -15.002 -8.345 656 1HG GLU 88 2HG GLU 88 4.919 -17.065 -7.990 657 2HG GLU 88 1HG GLU 88 4.567 -16.774 -9.693 658 H GLY 89 H GLY 89 8.819 -16.369 -10.352 659 1HA GLY 89 2HA GLY 89 8.256 -18.687 -11.799 660 2HA GLY 89 1HA GLY 89 8.795 -17.473 -12.955 661 H LEU 90 H LEU 90 10.928 -17.112 -13.189 662 HA LEU 90 HA LEU 90 12.728 -18.663 -11.467 663 1HB LEU 90 2HB LEU 90 12.838 -17.729 -14.295 664 2HB LEU 90 1HB LEU 90 14.356 -17.933 -13.430 665 HG LEU 90 HG LEU 90 13.899 -20.272 -13.059 666 1HD1 LEU 90 1HD1 LEU 90 11.706 -20.698 -12.732 667 2HD1 LEU 90 2HD1 LEU 90 11.753 -21.061 -14.454 668 3HD1 LEU 90 3HD1 LEU 90 11.183 -19.489 -13.905 669 1HD2 LEU 90 1HD2 LEU 90 13.746 -21.044 -15.431 670 2HD2 LEU 90 2HD2 LEU 90 14.963 -19.810 -15.141 671 3HD2 LEU 90 3HD2 LEU 90 13.431 -19.371 -15.891 672 H GLU 91 H GLU 91 12.437 -15.469 -12.997 673 HA GLU 91 HA GLU 91 14.666 -14.303 -11.747 674 1HB GLU 91 2HB GLU 91 12.144 -13.105 -12.887 675 2HB GLU 91 1HB GLU 91 13.469 -12.125 -12.261 676 1HG GLU 91 2HG GLU 91 14.975 -13.075 -13.909 677 2HG GLU 91 1HG GLU 91 13.685 -14.114 -14.512 678 H GLY 92 H GLY 92 11.544 -15.097 -10.542 679 1HA GLY 92 2HA GLY 92 11.427 -15.161 -8.071 680 2HA GLY 92 1HA GLY 92 12.122 -13.541 -8.093 681 H SER 93 H SER 93 9.560 -14.601 -6.989 682 HA SER 93 HA SER 93 7.382 -13.779 -8.519 683 1HB SER 93 2HB SER 93 6.173 -13.642 -6.330 684 2HB SER 93 1HB SER 93 7.039 -15.158 -6.576 685 HG SER 93 HG SER 93 8.172 -12.970 -5.185 686 H ARG 94 H ARG 94 7.569 -11.837 -9.504 687 HA ARG 94 HA ARG 94 8.220 -9.474 -7.951 688 1HB ARG 94 2HB ARG 94 8.214 -8.279 -10.015 689 2HB ARG 94 1HB ARG 94 9.025 -9.809 -10.311 690 1HG ARG 94 2HG ARG 94 6.273 -10.183 -10.865 691 2HG ARG 94 1HG ARG 94 6.787 -8.685 -11.651 692 1HD ARG 94 2HD ARG 94 8.538 -11.074 -11.879 693 2HD ARG 94 1HD ARG 94 7.047 -11.046 -12.821 694 HE ARG 94 HE ARG 94 9.417 -9.635 -13.400 695 1HH1 ARG 94 1HH1 ARG 94 5.951 -9.213 -13.404 696 2HH1 ARG 94 2HH1 ARG 94 5.972 -8.034 -14.672 697 1HH2 ARG 94 1HH2 ARG 94 9.444 -8.084 -15.067 698 2HH2 ARG 94 2HH2 ARG 94 7.954 -7.392 -15.617 699 H PHE 95 H PHE 95 6.786 -7.899 -7.341 700 HA PHE 95 HA PHE 95 3.954 -8.407 -7.962 701 1HB PHE 95 2HB PHE 95 4.731 -8.974 -5.578 702 2HB PHE 95 1HB PHE 95 4.875 -7.234 -5.347 703 HD1 PHE 95 1HD PHE 95 3.169 -6.693 -3.863 704 HD2 PHE 95 2HD PHE 95 2.312 -9.154 -7.231 705 HE1 PHE 95 1HE PHE 95 0.771 -6.565 -3.341 706 HE2 PHE 95 2HE PHE 95 -0.085 -9.024 -6.719 707 HZ PHE 95 HZ PHE 95 -0.858 -7.723 -4.784 708 H THR 96 H THR 96 2.925 -6.776 -8.889 709 HA THR 96 HA THR 96 3.878 -4.042 -8.374 710 HB THR 96 HB THR 96 2.971 -4.662 -11.133 711 HG1 THR 96 1HG THR 96 5.068 -5.329 -11.695 712 1HG2 THR 96 1HG2 THR 96 3.507 -2.431 -10.907 713 2HG2 THR 96 2HG2 THR 96 4.980 -3.125 -11.586 714 3HG2 THR 96 3HG2 THR 96 4.890 -2.762 -9.861 715 H VAL 97 H VAL 97 2.311 -2.778 -7.725 716 HA VAL 97 HA VAL 97 -0.458 -3.375 -8.558 717 HB VAL 97 HB VAL 97 0.209 -1.901 -6.023 718 1HG1 VAL 97 1HG1 VAL 97 -2.190 -3.314 -7.123 719 2HG1 VAL 97 2HG1 VAL 97 -2.047 -1.662 -6.520 720 3HG1 VAL 97 3HG1 VAL 97 -2.011 -3.020 -5.394 721 1HG2 VAL 97 1HG2 VAL 97 0.855 -4.619 -6.520 722 2HG2 VAL 97 2HG2 VAL 97 -0.522 -4.580 -5.421 723 3HG2 VAL 97 3HG2 VAL 97 0.957 -3.719 -5.010 724 H ASN 98 H ASN 98 -1.899 -1.382 -8.474 725 HA ASN 98 HA ASN 98 -0.485 1.127 -8.896 726 1HB ASN 98 2HB ASN 98 -2.348 0.088 -11.034 727 2HB ASN 98 1HB ASN 98 -1.328 1.528 -11.096 728 1HD2 ASN 98 1HD2 ASN 98 -1.608 -1.520 -12.198 729 2HD2 ASN 98 2HD2 ASN 98 0.049 -1.891 -12.492 730 H ASN 99 H ASN 99 -1.599 2.828 -8.190 731 HA ASN 99 HA ASN 99 -4.501 2.776 -8.087 732 1HB ASN 99 2HB ASN 99 -3.368 3.695 -5.532 733 2HB ASN 99 1HB ASN 99 -4.788 2.699 -5.845 734 1HD2 ASN 99 1HD2 ASN 99 -1.850 2.731 -4.433 735 2HD2 ASN 99 2HD2 ASN 99 -1.512 1.040 -4.418 736 HA PRO 100 HA PRO 100 -4.280 7.089 -8.883 737 1HB PRO 100 2HB PRO 100 -5.853 8.242 -6.934 738 2HB PRO 100 1HB PRO 100 -6.470 7.471 -8.402 739 1HG PRO 100 2HG PRO 100 -6.238 6.369 -5.632 740 2HG PRO 100 1HG PRO 100 -7.549 6.177 -6.811 741 1HD PRO 100 2HD PRO 100 -5.755 4.233 -6.376 742 2HD PRO 100 1HD PRO 100 -6.413 4.542 -7.996 743 H ASN 101 H ASN 101 -4.226 6.732 -5.329 744 HA ASN 101 HA ASN 101 -2.733 9.036 -4.824 745 1HB ASN 101 2HB ASN 101 -2.606 8.333 -2.611 746 2HB ASN 101 1HB ASN 101 -4.035 7.479 -3.194 747 1HD2 ASN 101 1HD2 ASN 101 -3.052 5.359 -4.493 748 2HD2 ASN 101 2HD2 ASN 101 -2.139 4.349 -3.426 749 H ALA 102 H ALA 102 -1.713 5.871 -5.852 750 HA ALA 102 HA ALA 102 1.065 6.323 -5.219 751 1HB ALA 102 1HB ALA 102 -0.542 4.104 -6.297 752 2HB ALA 102 2HB ALA 102 0.788 4.088 -5.140 753 3HB ALA 102 3HB ALA 102 1.124 4.190 -6.867 754 H THR 103 H THR 103 -0.112 5.218 -8.361 755 HA THR 103 HA THR 103 0.584 5.740 -10.473 756 HB THR 103 HB THR 103 0.589 8.436 -10.684 757 HG1 THR 103 1HG THR 103 -0.927 9.219 -9.168 758 1HG2 THR 103 1HG2 THR 103 -0.993 6.803 -11.745 759 2HG2 THR 103 2HG2 THR 103 -1.686 8.361 -11.292 760 3HG2 THR 103 3HG2 THR 103 -1.982 6.940 -10.290 761 H SER 104 H SER 104 2.715 5.435 -8.486 762 HA SER 104 HA SER 104 4.784 7.024 -9.850 763 1HB SER 104 2HB SER 104 4.358 7.836 -7.518 764 2HB SER 104 1HB SER 104 4.845 6.247 -6.926 765 HG SER 104 HG SER 104 6.838 6.840 -7.144 766 H THR 105 H THR 105 7.018 6.026 -9.480 767 HA THR 105 HA THR 105 7.142 3.207 -8.994 768 HB THR 105 HB THR 105 8.150 3.014 -11.486 769 HG1 THR 105 1HG THR 105 6.889 4.160 -12.906 770 1HG2 THR 105 1HG2 THR 105 6.637 1.408 -11.499 771 2HG2 THR 105 2HG2 THR 105 5.413 2.610 -11.909 772 3HG2 THR 105 3HG2 THR 105 5.721 2.204 -10.220 773 H CYS 106 H CYS 106 9.002 3.024 -7.952 774 HA CYS 106 HA CYS 106 11.475 3.844 -9.115 775 1HB CYS 106 2HB CYS 106 10.162 5.619 -7.189 776 2HB CYS 106 1HB CYS 106 11.803 5.184 -6.727 777 HG CYS 106 HG CYS 106 11.165 7.264 -8.678 778 H GLY 107 H GLY 107 10.154 3.346 -5.830 779 1HA GLY 107 2HA GLY 107 10.430 1.262 -4.661 780 2HA GLY 107 1HA GLY 107 11.893 0.977 -5.600 781 H CYS 108 H CYS 108 12.520 3.968 -5.055 782 HA CYS 108 HA CYS 108 13.829 5.131 -3.608 783 1HB CYS 108 2HB CYS 108 11.635 4.605 -2.213 784 2HB CYS 108 1HB CYS 108 12.750 3.631 -1.263 785 HG CYS 108 HG CYS 108 12.404 6.489 -0.872 786 H GLY 109 H GLY 109 14.776 2.594 -4.685 787 1HA GLY 109 2HA GLY 109 16.699 1.882 -2.553 788 2HA GLY 109 1HA GLY 109 16.079 0.711 -3.714 789 H SER 110 H SER 110 17.746 3.864 -3.663 790 HA SER 110 HA SER 110 19.229 3.037 -6.058 791 1HB SER 110 2HB SER 110 19.846 5.459 -6.217 792 2HB SER 110 1HB SER 110 18.110 5.165 -6.315 793 HG SER 110 HG SER 110 18.854 6.909 -4.867 794 H SER 111 H SER 111 19.666 4.305 -2.787 795 HA SER 111 HA SER 111 22.548 3.773 -2.999 796 1HB SER 111 2HB SER 111 22.350 5.049 -0.642 797 2HB SER 111 1HB SER 111 22.507 5.904 -2.175 798 HG SER 111 HG SER 111 20.302 6.235 -2.194 799 H PHE 112 H PHE 112 23.609 2.838 -1.087 800 HA PHE 112 HA PHE 112 21.905 0.770 0.128 801 1HB PHE 112 2HB PHE 112 24.915 0.780 -0.165 802 2HB PHE 112 1HB PHE 112 23.919 -0.557 0.401 803 HD1 PHE 112 1HD PHE 112 21.978 -1.210 -1.331 804 HD2 PHE 112 2HD PHE 112 25.658 0.681 -2.327 805 HE1 PHE 112 1HE PHE 112 21.774 -2.037 -3.639 806 HE2 PHE 112 2HE PHE 112 25.461 -0.142 -4.637 807 HZ PHE 112 HZ PHE 112 23.516 -1.503 -5.296 808 H SER 113 H SER 113 23.379 -0.062 2.206 809 HA SER 113 HA SER 113 23.635 2.321 3.914 810 1HB SER 113 2HB SER 113 22.575 -0.421 4.632 811 2HB SER 113 1HB SER 113 22.905 0.857 5.803 812 HG SER 113 HG SER 113 20.712 0.837 5.167 813 H ILE 114 H ILE 114 25.081 2.056 5.756 814 HA ILE 114 HA ILE 114 27.641 1.383 5.090 815 HB ILE 114 HB ILE 114 28.222 1.510 7.408 816 1HG1 ILE 114 2HG1 ILE 114 26.428 -0.006 8.253 817 2HG1 ILE 114 1HG1 ILE 114 26.609 1.459 9.211 818 1HG2 ILE 114 1HG2 ILE 114 27.457 3.560 6.189 819 2HG2 ILE 114 2HG2 ILE 114 27.385 3.654 7.949 820 3HG2 ILE 114 3HG2 ILE 114 25.911 3.383 7.021 821 1HD1 ILE 114 1HD1 ILE 114 24.301 1.110 8.984 822 2HD1 ILE 114 2HD1 ILE 114 24.440 0.775 7.263 823 3HD1 ILE 114 3HD1 ILE 114 24.695 2.410 7.871 Start of MODEL 11 1 1H MET 1 1HT MET 1 -25.766 -9.615 0.639 2 2H MET 1 2HT MET 1 -26.380 -9.785 -0.955 3 3H MET 1 3HT MET 1 -27.379 -9.171 0.289 4 HA MET 1 HA MET 1 -26.524 -7.497 -1.253 5 1HB MET 1 2HB MET 1 -26.038 -5.926 0.535 6 2HB MET 1 1HB MET 1 -27.319 -7.023 1.035 7 1HG MET 1 2HG MET 1 -25.988 -8.106 2.566 8 2HG MET 1 1HG MET 1 -24.498 -7.641 1.754 9 1HE MET 1 1HE MET 1 -23.451 -4.546 2.550 10 2HE MET 1 2HE MET 1 -24.994 -3.820 2.090 11 3HE MET 1 3HE MET 1 -24.324 -5.152 1.142 12 H ILE 2 H ILE 2 -24.549 -5.834 -1.008 13 HA ILE 2 HA ILE 2 -22.163 -7.411 -1.604 14 HB ILE 2 HB ILE 2 -21.950 -4.565 -2.187 15 1HG1 ILE 2 2HG1 ILE 2 -24.360 -4.721 -2.576 16 2HG1 ILE 2 1HG1 ILE 2 -23.494 -4.560 -4.102 17 1HG2 ILE 2 1HG2 ILE 2 -20.484 -6.433 -2.992 18 2HG2 ILE 2 2HG2 ILE 2 -21.057 -5.335 -4.246 19 3HG2 ILE 2 3HG2 ILE 2 -21.811 -6.921 -4.049 20 1HD1 ILE 2 1HD1 ILE 2 -24.880 -6.221 -4.711 21 2HD1 ILE 2 2HD1 ILE 2 -25.088 -6.801 -3.054 22 3HD1 ILE 2 3HD1 ILE 2 -23.634 -7.225 -3.968 23 H ASP 3 H ASP 3 -20.287 -5.374 -1.351 24 HA ASP 3 HA ASP 3 -19.010 -4.177 0.131 25 1HB ASP 3 2HB ASP 3 -21.031 -4.643 2.305 26 2HB ASP 3 1HB ASP 3 -19.861 -3.342 2.168 27 H ASP 4 H ASP 4 -19.452 -7.234 -0.082 28 HA ASP 4 HA ASP 4 -17.926 -7.976 2.322 29 1HB ASP 4 2HB ASP 4 -20.177 -9.078 1.950 30 2HB ASP 4 1HB ASP 4 -19.483 -9.821 0.509 31 H MET 5 H MET 5 -18.236 -8.380 -1.157 32 HA MET 5 HA MET 5 -15.408 -9.217 -1.261 33 1HB MET 5 2HB MET 5 -15.964 -10.539 -3.254 34 2HB MET 5 1HB MET 5 -16.871 -11.087 -1.846 35 1HG MET 5 2HG MET 5 -18.112 -9.072 -3.630 36 2HG MET 5 1HG MET 5 -18.028 -10.744 -4.185 37 1HE MET 5 1HE MET 5 -21.130 -8.897 -2.988 38 2HE MET 5 2HE MET 5 -19.598 -8.132 -2.549 39 3HE MET 5 3HE MET 5 -20.688 -8.721 -1.290 40 H ALA 6 H ALA 6 -14.328 -8.656 -3.299 41 HA ALA 6 HA ALA 6 -13.572 -7.005 -4.701 42 1HB ALA 6 1HB ALA 6 -14.910 -6.662 -6.540 43 2HB ALA 6 2HB ALA 6 -16.380 -6.528 -5.579 44 3HB ALA 6 3HB ALA 6 -15.648 -8.109 -5.852 45 H VAL 7 H VAL 7 -13.775 -6.066 -2.222 46 HA VAL 7 HA VAL 7 -15.436 -3.757 -2.074 47 HB VAL 7 HB VAL 7 -13.388 -3.685 -0.049 48 1HG1 VAL 7 1HG1 VAL 7 -15.715 -2.762 -0.016 49 2HG1 VAL 7 2HG1 VAL 7 -15.260 -3.688 1.415 50 3HG1 VAL 7 3HG1 VAL 7 -16.292 -4.418 0.184 51 1HG2 VAL 7 1HG2 VAL 7 -13.022 -6.024 -0.324 52 2HG2 VAL 7 2HG2 VAL 7 -14.743 -6.342 -0.478 53 3HG2 VAL 7 3HG2 VAL 7 -14.072 -5.835 1.070 54 HA PRO 8 HA PRO 8 -11.701 -1.104 -2.818 55 1HB PRO 8 2HB PRO 8 -9.420 -1.490 -1.609 56 2HB PRO 8 1HB PRO 8 -10.885 -1.413 -0.621 57 1HG PRO 8 2HG PRO 8 -9.313 -3.807 -1.482 58 2HG PRO 8 1HG PRO 8 -10.103 -3.487 0.073 59 1HD PRO 8 2HD PRO 8 -11.167 -4.938 -2.148 60 2HD PRO 8 1HD PRO 8 -12.001 -4.495 -0.650 61 H LEU 9 H LEU 9 -8.684 -2.246 -2.833 62 HA LEU 9 HA LEU 9 -8.238 -2.118 -5.564 63 1HB LEU 9 2HB LEU 9 -6.579 -1.806 -3.723 64 2HB LEU 9 1HB LEU 9 -6.582 -3.537 -3.475 65 HG LEU 9 HG LEU 9 -4.798 -3.592 -4.814 66 1HD1 LEU 9 1HD1 LEU 9 -6.245 -4.514 -6.427 67 2HD1 LEU 9 2HD1 LEU 9 -5.192 -3.386 -7.268 68 3HD1 LEU 9 3HD1 LEU 9 -6.845 -2.926 -6.896 69 1HD2 LEU 9 1HD2 LEU 9 -4.328 -1.596 -6.416 70 2HD2 LEU 9 2HD2 LEU 9 -4.092 -1.414 -4.680 71 3HD2 LEU 9 3HD2 LEU 9 -5.547 -0.785 -5.442 72 H THR 10 H THR 10 -8.529 -3.506 -7.176 73 HA THR 10 HA THR 10 -9.088 -6.316 -6.565 74 HB THR 10 HB THR 10 -9.537 -4.659 -9.050 75 HG1 THR 10 1HG THR 10 -11.725 -5.218 -8.589 76 1HG2 THR 10 1HG2 THR 10 -9.520 -6.497 -10.274 77 2HG2 THR 10 2HG2 THR 10 -10.879 -7.091 -9.319 78 3HG2 THR 10 3HG2 THR 10 -9.226 -7.501 -8.853 79 H PHE 11 H PHE 11 -7.507 -7.738 -6.798 80 HA PHE 11 HA PHE 11 -5.038 -6.989 -8.131 81 1HB PHE 11 2HB PHE 11 -4.074 -8.866 -7.048 82 2HB PHE 11 1HB PHE 11 -5.174 -8.157 -5.875 83 HD1 PHE 11 1HD PHE 11 -4.293 -11.009 -7.780 84 HD2 PHE 11 2HD PHE 11 -7.420 -9.225 -5.540 85 HE1 PHE 11 1HE PHE 11 -5.377 -13.194 -7.592 86 HE2 PHE 11 2HE PHE 11 -8.538 -11.413 -5.339 87 HZ PHE 11 HZ PHE 11 -7.513 -13.397 -6.377 88 H THR 12 H THR 12 -3.967 -9.064 -9.270 89 HA THR 12 HA THR 12 -5.670 -9.546 -11.577 90 HB THR 12 HB THR 12 -3.195 -8.914 -11.673 91 HG1 THR 12 1HG THR 12 -3.150 -11.047 -13.256 92 1HG2 THR 12 1HG2 THR 12 -1.564 -10.652 -11.582 93 2HG2 THR 12 2HG2 THR 12 -2.794 -11.852 -11.201 94 3HG2 THR 12 3HG2 THR 12 -2.405 -10.595 -10.033 95 H ASP 13 H ASP 13 -4.587 -12.034 -12.423 96 HA ASP 13 HA ASP 13 -6.150 -13.816 -10.725 97 1HB ASP 13 2HB ASP 13 -4.869 -14.260 -13.428 98 2HB ASP 13 1HB ASP 13 -5.901 -15.417 -12.594 99 H ALA 14 H ALA 14 -2.899 -13.476 -12.005 100 HA ALA 14 HA ALA 14 -1.825 -15.849 -11.007 101 1HB ALA 14 1HB ALA 14 0.323 -14.919 -11.463 102 2HB ALA 14 2HB ALA 14 -0.313 -13.281 -11.398 103 3HB ALA 14 3HB ALA 14 -0.783 -14.349 -12.715 104 H ALA 15 H ALA 15 -2.067 -12.638 -9.512 105 HA ALA 15 HA ALA 15 -0.505 -13.102 -7.266 106 1HB ALA 15 1HB ALA 15 -1.251 -11.099 -6.614 107 2HB ALA 15 2HB ALA 15 -2.926 -11.645 -6.597 108 3HB ALA 15 3HB ALA 15 -2.197 -11.071 -8.103 109 H ALA 16 H ALA 16 -3.714 -14.164 -8.103 110 HA ALA 16 HA ALA 16 -4.396 -15.281 -5.550 111 1HB ALA 16 1HB ALA 16 -6.079 -14.738 -7.299 112 2HB ALA 16 2HB ALA 16 -6.173 -16.414 -6.767 113 3HB ALA 16 3HB ALA 16 -5.394 -16.014 -8.300 114 H ASN 17 H ASN 17 -3.029 -16.423 -8.556 115 HA ASN 17 HA ASN 17 -2.873 -19.136 -8.055 116 1HB ASN 17 2HB ASN 17 -1.243 -17.265 -9.747 117 2HB ASN 17 1HB ASN 17 -0.828 -18.970 -9.644 118 1HD2 ASN 17 1HD2 ASN 17 -3.681 -16.931 -10.130 119 2HD2 ASN 17 2HD2 ASN 17 -4.339 -17.871 -11.420 120 H LYS 18 H LYS 18 -0.415 -16.625 -7.374 121 HA LYS 18 HA LYS 18 1.524 -18.340 -6.344 122 1HB LYS 18 2HB LYS 18 2.614 -16.441 -5.504 123 2HB LYS 18 1HB LYS 18 1.757 -15.875 -6.927 124 1HG LYS 18 2HG LYS 18 0.658 -14.362 -5.740 125 2HG LYS 18 1HG LYS 18 0.112 -15.574 -4.582 126 1HD LYS 18 2HD LYS 18 2.458 -15.420 -3.582 127 2HD LYS 18 1HD LYS 18 2.639 -13.952 -4.547 128 1HE LYS 18 2HE LYS 18 1.163 -12.771 -3.278 129 2HE LYS 18 1HE LYS 18 0.200 -14.191 -2.882 130 1HZ LYS 18 1HZ LYS 18 1.226 -14.269 -0.939 131 2HZ LYS 18 2HZ LYS 18 2.211 -12.959 -1.354 132 3HZ LYS 18 3HZ LYS 18 2.705 -14.535 -1.719 133 H VAL 19 H VAL 19 -1.398 -17.101 -4.946 134 HA VAL 19 HA VAL 19 -0.737 -17.823 -2.247 135 HB VAL 19 HB VAL 19 -3.416 -17.154 -3.473 136 1HG1 VAL 19 1HG1 VAL 19 -2.635 -18.006 -0.818 137 2HG1 VAL 19 2HG1 VAL 19 -4.242 -17.847 -1.523 138 3HG1 VAL 19 3HG1 VAL 19 -3.453 -16.445 -0.797 139 1HG2 VAL 19 1HG2 VAL 19 -2.670 -15.069 -3.604 140 2HG2 VAL 19 2HG2 VAL 19 -1.152 -15.509 -2.829 141 3HG2 VAL 19 3HG2 VAL 19 -2.542 -15.054 -1.846 142 H LYS 20 H LYS 20 -3.394 -18.908 -4.316 143 HA LYS 20 HA LYS 20 -4.024 -21.225 -2.966 144 1HB LYS 20 2HB LYS 20 -4.825 -22.008 -5.312 145 2HB LYS 20 1HB LYS 20 -5.597 -20.627 -4.535 146 1HG LYS 20 2HG LYS 20 -4.999 -19.252 -6.174 147 2HG LYS 20 1HG LYS 20 -3.336 -19.844 -6.171 148 1HD LYS 20 2HD LYS 20 -4.518 -20.210 -8.323 149 2HD LYS 20 1HD LYS 20 -3.932 -21.700 -7.578 150 1HE LYS 20 2HE LYS 20 -6.334 -21.758 -6.528 151 2HE LYS 20 1HE LYS 20 -6.726 -20.696 -7.881 152 1HZ LYS 20 1HZ LYS 20 -6.804 -23.343 -8.023 153 2HZ LYS 20 2HZ LYS 20 -5.213 -23.091 -8.536 154 3HZ LYS 20 3HZ LYS 20 -6.494 -22.358 -9.362 155 H SER 21 H SER 21 -1.291 -20.629 -4.961 156 HA SER 21 HA SER 21 -0.878 -23.415 -5.570 157 1HB SER 21 2HB SER 21 -0.296 -21.727 -7.245 158 2HB SER 21 1HB SER 21 0.884 -21.021 -6.137 159 HG SER 21 HG SER 21 1.049 -23.293 -7.692 160 H LEU 22 H LEU 22 0.725 -20.961 -3.557 161 HA LEU 22 HA LEU 22 2.603 -22.940 -2.616 162 1HB LEU 22 2HB LEU 22 3.884 -21.243 -1.935 163 2HB LEU 22 1HB LEU 22 2.826 -20.271 -2.931 164 HG LEU 22 HG LEU 22 3.262 -19.211 -0.787 165 1HD1 LEU 22 1HD1 LEU 22 1.240 -18.554 -1.689 166 2HD1 LEU 22 2HD1 LEU 22 0.826 -19.019 -0.041 167 3HD1 LEU 22 3HD1 LEU 22 0.482 -20.107 -1.380 168 1HD2 LEU 22 1HD2 LEU 22 3.085 -20.179 1.229 169 2HD2 LEU 22 2HD2 LEU 22 3.225 -21.677 0.311 170 3HD2 LEU 22 3HD2 LEU 22 1.634 -21.086 0.791 171 H ILE 23 H ILE 23 -0.436 -21.620 -1.622 172 HA ILE 23 HA ILE 23 -0.230 -22.399 1.098 173 HB ILE 23 HB ILE 23 -2.662 -22.075 1.167 174 1HG1 ILE 23 2HG1 ILE 23 -3.342 -20.818 -1.120 175 2HG1 ILE 23 1HG1 ILE 23 -2.257 -22.051 -1.745 176 1HG2 ILE 23 1HG2 ILE 23 -0.705 -20.081 0.286 177 2HG2 ILE 23 2HG2 ILE 23 -1.773 -20.070 1.683 178 3HG2 ILE 23 3HG2 ILE 23 -2.389 -19.612 0.094 179 1HD1 ILE 23 1HD1 ILE 23 -3.888 -23.535 -1.633 180 2HD1 ILE 23 2HD1 ILE 23 -4.974 -22.307 -1.000 181 3HD1 ILE 23 3HD1 ILE 23 -4.011 -23.289 0.104 182 H SER 24 H SER 24 -1.797 -23.741 -1.766 183 HA SER 24 HA SER 24 -2.815 -26.064 -0.594 184 1HB SER 24 2HB SER 24 -2.120 -25.227 -3.373 185 2HB SER 24 1HB SER 24 -2.422 -26.934 -3.067 186 HG SER 24 HG SER 24 -4.441 -26.210 -2.074 187 H GLU 25 H GLU 25 0.337 -25.066 -1.491 188 HA GLU 25 HA GLU 25 1.483 -27.698 -1.548 189 1HB GLU 25 2HB GLU 25 2.257 -25.139 -2.427 190 2HB GLU 25 1HB GLU 25 3.420 -25.589 -1.182 191 1HG GLU 25 2HG GLU 25 3.683 -27.785 -2.426 192 2HG GLU 25 1HG GLU 25 2.790 -27.018 -3.743 193 H GLU 26 H GLU 26 0.694 -25.330 0.821 194 HA GLU 26 HA GLU 26 2.648 -26.230 2.741 195 1HB GLU 26 2HB GLU 26 0.237 -24.454 3.054 196 2HB GLU 26 1HB GLU 26 1.434 -24.746 4.301 197 1HG GLU 26 2HG GLU 26 2.546 -23.831 1.762 198 2HG GLU 26 1HG GLU 26 1.461 -22.682 2.531 199 H GLU 27 H GLU 27 -0.415 -27.186 1.656 200 HA GLU 27 HA GLU 27 -1.635 -29.041 2.182 201 1HB GLU 27 2HB GLU 27 0.608 -29.879 3.211 202 2HB GLU 27 1HB GLU 27 -0.112 -29.411 4.747 203 1HG GLU 27 2HG GLU 27 -1.678 -31.079 4.677 204 2HG GLU 27 1HG GLU 27 -1.686 -31.146 2.919 205 H ASN 28 H ASN 28 -1.606 -26.158 3.426 206 HA ASN 28 HA ASN 28 -2.907 -26.251 5.897 207 1HB ASN 28 2HB ASN 28 -3.868 -24.192 3.975 208 2HB ASN 28 1HB ASN 28 -3.359 -24.014 5.643 209 1HD2 ASN 28 1HD2 ASN 28 -2.588 -23.526 2.454 210 2HD2 ASN 28 2HD2 ASN 28 -0.935 -23.106 2.650 211 H THR 29 H THR 29 -4.502 -25.525 2.811 212 HA THR 29 HA THR 29 -6.356 -27.483 2.594 213 HB THR 29 HB THR 29 -7.208 -27.339 4.768 214 HG1 THR 29 1HG THR 29 -9.265 -26.791 4.437 215 1HG2 THR 29 1HG2 THR 29 -6.943 -25.587 6.097 216 2HG2 THR 29 2HG2 THR 29 -7.963 -24.592 5.056 217 3HG2 THR 29 3HG2 THR 29 -6.228 -24.711 4.737 218 H ASP 30 H ASP 30 -6.375 -23.937 2.938 219 HA ASP 30 HA ASP 30 -6.798 -23.304 0.280 220 1HB ASP 30 2HB ASP 30 -9.242 -24.163 1.665 221 2HB ASP 30 1HB ASP 30 -9.375 -22.563 0.935 222 H LEU 31 H LEU 31 -5.221 -22.116 1.642 223 HA LEU 31 HA LEU 31 -5.866 -20.247 3.556 224 1HB LEU 31 2HB LEU 31 -3.649 -21.033 1.992 225 2HB LEU 31 1HB LEU 31 -3.712 -19.288 1.978 226 HG LEU 31 HG LEU 31 -2.307 -19.933 3.768 227 1HD1 LEU 31 1HD1 LEU 31 -3.343 -18.858 5.578 228 2HD1 LEU 31 2HD1 LEU 31 -4.946 -19.382 5.065 229 3HD1 LEU 31 3HD1 LEU 31 -4.078 -18.168 4.136 230 1HD2 LEU 31 1HD2 LEU 31 -2.533 -21.829 4.908 231 2HD2 LEU 31 2HD2 LEU 31 -3.918 -22.216 3.867 232 3HD2 LEU 31 3HD2 LEU 31 -4.165 -21.399 5.415 233 H LYS 32 H LYS 32 -5.933 -18.005 3.505 234 HA LYS 32 HA LYS 32 -6.995 -16.834 1.020 235 1HB LYS 32 2HB LYS 32 -7.680 -15.915 3.814 236 2HB LYS 32 1HB LYS 32 -8.489 -15.494 2.313 237 1HG LYS 32 2HG LYS 32 -9.483 -17.619 2.131 238 2HG LYS 32 1HG LYS 32 -8.431 -18.301 3.373 239 1HD LYS 32 2HD LYS 32 -10.670 -17.904 4.247 240 2HD LYS 32 1HD LYS 32 -9.490 -16.870 5.054 241 1HE LYS 32 2HE LYS 32 -10.130 -15.071 3.392 242 2HE LYS 32 1HE LYS 32 -11.482 -16.111 2.929 243 1HZ LYS 32 1HZ LYS 32 -12.166 -14.493 4.570 244 2HZ LYS 32 2HZ LYS 32 -10.972 -15.021 5.644 245 3HZ LYS 32 3HZ LYS 32 -12.245 -16.048 5.228 246 H LEU 33 H LEU 33 -5.789 -15.205 0.224 247 HA LEU 33 HA LEU 33 -3.390 -14.404 1.380 248 1HB LEU 33 2HB LEU 33 -4.185 -14.261 -1.049 249 2HB LEU 33 1HB LEU 33 -4.958 -12.760 -0.588 250 HG LEU 33 HG LEU 33 -2.708 -12.566 -1.710 251 1HD1 LEU 33 1HD1 LEU 33 -3.708 -11.202 0.648 252 2HD1 LEU 33 2HD1 LEU 33 -3.037 -10.550 -0.837 253 3HD1 LEU 33 3HD1 LEU 33 -1.962 -11.055 0.466 254 1HD2 LEU 33 1HD2 LEU 33 -0.889 -13.532 -0.875 255 2HD2 LEU 33 2HD2 LEU 33 -1.949 -14.421 0.217 256 3HD2 LEU 33 3HD2 LEU 33 -1.215 -12.906 0.740 257 H ARG 34 H ARG 34 -2.732 -12.506 2.403 258 HA ARG 34 HA ARG 34 -4.789 -10.649 3.283 259 1HB ARG 34 2HB ARG 34 -4.560 -12.412 5.029 260 2HB ARG 34 1HB ARG 34 -2.887 -11.939 5.234 261 1HG ARG 34 2HG ARG 34 -5.156 -10.011 5.591 262 2HG ARG 34 1HG ARG 34 -4.556 -11.025 6.902 263 1HD ARG 34 2HD ARG 34 -2.238 -9.989 6.009 264 2HD ARG 34 1HD ARG 34 -3.338 -8.671 5.607 265 HE ARG 34 HE ARG 34 -3.532 -9.716 8.307 266 1HH1 ARG 34 1HH1 ARG 34 -2.174 -7.280 6.203 267 2HH1 ARG 34 2HH1 ARG 34 -1.862 -6.168 7.492 268 1HH2 ARG 34 1HH2 ARG 34 -3.117 -8.254 9.998 269 2HH2 ARG 34 2HH2 ARG 34 -2.393 -6.721 9.644 270 H VAL 35 H VAL 35 -3.950 -9.011 2.137 271 HA VAL 35 HA VAL 35 -1.174 -8.442 1.965 272 HB VAL 35 HB VAL 35 -3.393 -6.507 1.401 273 1HG1 VAL 35 1HG1 VAL 35 -0.587 -6.836 0.368 274 2HG1 VAL 35 2HG1 VAL 35 -1.248 -5.486 1.289 275 3HG1 VAL 35 3HG1 VAL 35 -1.776 -5.764 -0.369 276 1HG2 VAL 35 1HG2 VAL 35 -4.076 -8.407 0.244 277 2HG2 VAL 35 2HG2 VAL 35 -2.427 -8.832 -0.216 278 3HG2 VAL 35 3HG2 VAL 35 -3.222 -7.439 -0.954 279 H TYR 36 H TYR 36 -0.112 -6.568 2.615 280 HA TYR 36 HA TYR 36 -1.208 -4.989 4.795 281 1HB TYR 36 2HB TYR 36 1.245 -5.407 5.849 282 2HB TYR 36 1HB TYR 36 -0.170 -6.342 6.312 283 HD1 TYR 36 1HD TYR 36 3.147 -6.506 5.111 284 HD2 TYR 36 2HD TYR 36 -0.602 -8.509 4.931 285 HE1 TYR 36 1HE TYR 36 4.291 -8.568 4.409 286 HE2 TYR 36 2HE TYR 36 0.528 -10.574 4.229 287 HH TYR 36 HH TYR 36 3.486 -10.734 3.008 288 H ILE 37 H ILE 37 0.687 -3.340 5.437 289 HA ILE 37 HA ILE 37 1.427 -2.122 2.906 290 HB ILE 37 HB ILE 37 1.475 -1.132 5.747 291 1HG1 ILE 37 2HG1 ILE 37 -0.680 -1.103 4.567 292 2HG1 ILE 37 1HG1 ILE 37 -0.095 0.538 4.853 293 1HG2 ILE 37 1HG2 ILE 37 2.963 -0.133 3.404 294 2HG2 ILE 37 2HG2 ILE 37 3.303 0.047 5.127 295 3HG2 ILE 37 3HG2 ILE 37 2.094 1.077 4.353 296 1HD1 ILE 37 1HD1 ILE 37 -0.669 0.806 2.701 297 2HD1 ILE 37 2HD1 ILE 37 -0.522 -0.913 2.332 298 3HD1 ILE 37 3HD1 ILE 37 0.920 0.099 2.407 299 H THR 38 H THR 38 3.235 -2.822 1.996 300 HA THR 38 HA THR 38 5.614 -3.172 3.700 301 HB THR 38 HB THR 38 4.893 -4.705 1.200 302 HG1 THR 38 1HG THR 38 4.962 -5.479 3.926 303 1HG2 THR 38 1HG2 THR 38 7.396 -4.465 2.666 304 2HG2 THR 38 2HG2 THR 38 7.074 -5.099 1.051 305 3HG2 THR 38 3HG2 THR 38 6.840 -6.127 2.467 306 H GLY 39 H GLY 39 4.375 -2.090 0.583 307 1HA GLY 39 2HA GLY 39 7.008 -1.062 -0.159 308 2HA GLY 39 1HA GLY 39 5.581 -1.111 -1.191 309 H GLY 40 H GLY 40 5.735 1.032 -1.810 310 1HA GLY 40 2HA GLY 40 4.266 2.953 -0.716 311 2HA GLY 40 1HA GLY 40 5.722 3.082 0.257 312 H GLY 41 H GLY 41 7.798 3.269 -1.048 313 1HA GLY 41 2HA GLY 41 9.065 4.532 -2.492 314 2HA GLY 41 1HA GLY 41 7.840 4.155 -3.698 315 H CYS 42 H CYS 42 6.037 5.561 -3.927 316 HA CYS 42 HA CYS 42 6.473 8.253 -2.812 317 1HB CYS 42 2HB CYS 42 5.555 7.474 -5.585 318 2HB CYS 42 1HB CYS 42 5.451 9.112 -4.947 319 HG CYS 42 HG CYS 42 7.644 8.872 -6.339 320 H SER 43 H SER 43 4.637 5.747 -2.311 321 HA SER 43 HA SER 43 2.521 7.011 -1.093 322 1HB SER 43 2HB SER 43 2.108 6.609 -4.001 323 2HB SER 43 1HB SER 43 0.767 6.139 -2.957 324 HG SER 43 HG SER 43 2.052 8.672 -2.980 325 H GLY 44 H GLY 44 2.644 4.276 -3.373 326 1HA GLY 44 2HA GLY 44 3.065 2.154 -1.762 327 2HA GLY 44 1HA GLY 44 1.377 2.527 -1.446 328 H PHE 45 H PHE 45 3.417 0.707 -3.310 329 HA PHE 45 HA PHE 45 1.255 0.149 -5.185 330 1HB PHE 45 2HB PHE 45 2.600 0.308 -7.131 331 2HB PHE 45 1HB PHE 45 2.894 1.784 -6.210 332 HD1 PHE 45 1HD PHE 45 4.466 -0.405 -8.225 333 HD2 PHE 45 2HD PHE 45 4.884 1.209 -4.308 334 HE1 PHE 45 1HE PHE 45 6.880 -0.869 -8.294 335 HE2 PHE 45 2HE PHE 45 7.296 0.750 -4.371 336 HZ PHE 45 HZ PHE 45 8.300 -0.291 -6.366 337 H GLN 46 H GLN 46 3.362 -1.116 -2.993 338 HA GLN 46 HA GLN 46 3.608 -3.641 -4.470 339 1HB GLN 46 2HB GLN 46 5.124 -2.863 -1.988 340 2HB GLN 46 1HB GLN 46 5.461 -4.198 -3.081 341 1HG GLN 46 2HG GLN 46 6.012 -2.621 -4.852 342 2HG GLN 46 1HG GLN 46 5.664 -1.276 -3.765 343 1HE2 GLN 46 1HE2 GLN 46 7.563 -4.256 -3.810 344 2HE2 GLN 46 2HE2 GLN 46 8.978 -3.572 -3.086 345 H TYR 47 H TYR 47 3.598 -3.001 -0.974 346 HA TYR 47 HA TYR 47 2.244 -3.771 0.697 347 1HB TYR 47 2HB TYR 47 0.353 -4.859 -1.375 348 2HB TYR 47 1HB TYR 47 -0.002 -4.355 0.273 349 HD1 TYR 47 1HD TYR 47 0.348 -1.849 0.812 350 HD2 TYR 47 2HD TYR 47 -0.013 -3.390 -3.134 351 HE1 TYR 47 1HE TYR 47 -0.277 0.387 0.006 352 HE2 TYR 47 2HE TYR 47 -0.641 -1.156 -3.955 353 HH TYR 47 HH TYR 47 -0.332 1.666 -2.017 354 H GLY 48 H GLY 48 2.891 -5.440 1.840 355 1HA GLY 48 2HA GLY 48 3.891 -7.822 0.590 356 2HA GLY 48 1HA GLY 48 3.810 -7.510 2.315 357 H PHE 49 H PHE 49 2.944 -9.714 0.257 358 HA PHE 49 HA PHE 49 0.195 -10.074 1.202 359 1HB PHE 49 2HB PHE 49 1.740 -11.065 -1.151 360 2HB PHE 49 1HB PHE 49 0.362 -11.995 -0.580 361 HD1 PHE 49 1HD PHE 49 0.733 -8.321 -0.579 362 HD2 PHE 49 2HD PHE 49 -1.147 -11.710 -2.317 363 HE1 PHE 49 1HE PHE 49 -0.781 -6.835 -1.805 364 HE2 PHE 49 2HE PHE 49 -2.687 -10.242 -3.545 365 HZ PHE 49 HZ PHE 49 -2.501 -7.792 -3.300 366 H THR 50 H THR 50 -0.393 -11.675 2.500 367 HA THR 50 HA THR 50 1.510 -13.862 3.028 368 HB THR 50 HB THR 50 1.409 -12.112 4.901 369 HG1 THR 50 1HG THR 50 1.407 -13.741 6.473 370 1HG2 THR 50 1HG2 THR 50 -0.410 -11.882 6.250 371 2HG2 THR 50 2HG2 THR 50 -1.070 -13.464 5.818 372 3HG2 THR 50 3HG2 THR 50 -1.199 -12.113 4.690 373 H PHE 51 H PHE 51 0.318 -15.761 4.111 374 HA PHE 51 HA PHE 51 -2.320 -15.997 2.857 375 1HB PHE 51 2HB PHE 51 -0.534 -18.320 3.548 376 2HB PHE 51 1HB PHE 51 -1.861 -18.261 2.391 377 HD1 PHE 51 1HD PHE 51 1.654 -17.810 2.882 378 HD2 PHE 51 2HD PHE 51 -1.597 -16.853 0.332 379 HE1 PHE 51 1HE PHE 51 3.244 -17.169 1.115 380 HE2 PHE 51 2HE PHE 51 -0.019 -16.212 -1.448 381 HZ PHE 51 HZ PHE 51 2.409 -16.372 -1.051 382 H ASP 52 H ASP 52 -3.697 -15.488 4.395 383 HA ASP 52 HA ASP 52 -3.468 -16.881 6.976 384 1HB ASP 52 2HB ASP 52 -4.352 -15.037 8.099 385 2HB ASP 52 1HB ASP 52 -3.302 -14.308 6.888 386 H GLU 53 H GLU 53 -4.814 -18.487 7.155 387 HA GLU 53 HA GLU 53 -7.231 -18.669 5.610 388 1HB GLU 53 2HB GLU 53 -5.494 -20.477 6.923 389 2HB GLU 53 1HB GLU 53 -7.084 -20.679 7.647 390 1HG GLU 53 2HG GLU 53 -7.378 -20.510 4.822 391 2HG GLU 53 1HG GLU 53 -6.129 -21.692 5.195 392 H LYS 54 H LYS 54 -6.421 -17.368 8.630 393 HA LYS 54 HA LYS 54 -8.803 -17.938 10.034 394 1HB LYS 54 2HB LYS 54 -8.031 -15.875 11.421 395 2HB LYS 54 1HB LYS 54 -7.094 -17.352 11.464 396 1HG LYS 54 2HG LYS 54 -6.061 -15.819 9.344 397 2HG LYS 54 1HG LYS 54 -6.288 -14.722 10.703 398 1HD LYS 54 2HD LYS 54 -4.332 -15.491 11.469 399 2HD LYS 54 1HD LYS 54 -5.189 -16.983 11.861 400 1HE LYS 54 2HE LYS 54 -4.221 -18.122 10.181 401 2HE LYS 54 1HE LYS 54 -4.329 -16.767 9.064 402 1HZ LYS 54 1HZ LYS 54 -2.205 -17.420 10.987 403 2HZ LYS 54 2HZ LYS 54 -2.457 -15.803 10.559 404 3HZ LYS 54 3HZ LYS 54 -2.078 -16.943 9.369 405 H VAL 55 H VAL 55 -8.227 -14.565 10.046 406 HA VAL 55 HA VAL 55 -10.115 -13.848 8.020 407 HB VAL 55 HB VAL 55 -11.105 -12.908 10.630 408 1HG1 VAL 55 1HG1 VAL 55 -12.247 -13.730 8.002 409 2HG1 VAL 55 2HG1 VAL 55 -12.350 -12.182 8.841 410 3HG1 VAL 55 3HG1 VAL 55 -13.287 -13.560 9.414 411 1HG2 VAL 55 1HG2 VAL 55 -12.330 -14.872 11.217 412 2HG2 VAL 55 2HG2 VAL 55 -10.622 -15.298 11.096 413 3HG2 VAL 55 3HG2 VAL 55 -11.723 -15.728 9.792 414 H ASN 56 H ASN 56 -9.090 -12.689 11.181 415 HA ASN 56 HA ASN 56 -7.788 -10.927 11.814 416 1HB ASN 56 2HB ASN 56 -7.633 -10.385 8.848 417 2HB ASN 56 1HB ASN 56 -6.953 -9.299 10.050 418 1HD2 ASN 56 1HD2 ASN 56 -7.017 -12.814 9.516 419 2HD2 ASN 56 2HD2 ASN 56 -5.325 -13.039 9.726 420 H ASP 57 H ASP 57 -9.700 -10.353 12.891 421 HA ASP 57 HA ASP 57 -11.890 -9.005 11.926 422 1HB ASP 57 2HB ASP 57 -10.571 -8.345 14.566 423 2HB ASP 57 1HB ASP 57 -12.279 -8.204 14.157 424 H GLY 58 H GLY 58 -12.321 -7.019 11.176 425 1HA GLY 58 2HA GLY 58 -12.031 -4.760 10.709 426 2HA GLY 58 1HA GLY 58 -10.596 -4.764 11.741 427 H ASP 59 H ASP 59 -11.268 -6.933 9.068 428 HA ASP 59 HA ASP 59 -9.187 -5.643 7.446 429 1HB ASP 59 2HB ASP 59 -8.235 -7.618 8.739 430 2HB ASP 59 1HB ASP 59 -9.370 -8.638 7.860 431 H LEU 60 H LEU 60 -10.266 -5.048 5.633 432 HA LEU 60 HA LEU 60 -12.664 -6.225 4.776 433 1HB LEU 60 2HB LEU 60 -10.759 -4.762 2.961 434 2HB LEU 60 1HB LEU 60 -12.488 -4.920 2.787 435 HG LEU 60 HG LEU 60 -10.925 -3.015 4.403 436 1HD1 LEU 60 1HD1 LEU 60 -12.141 -2.252 2.491 437 2HD1 LEU 60 2HD1 LEU 60 -12.935 -1.628 3.944 438 3HD1 LEU 60 3HD1 LEU 60 -13.622 -3.002 3.080 439 1HD2 LEU 60 1HD2 LEU 60 -13.058 -2.765 5.880 440 2HD2 LEU 60 2HD2 LEU 60 -11.816 -3.931 6.327 441 3HD2 LEU 60 3HD2 LEU 60 -13.281 -4.475 5.513 442 H THR 61 H THR 61 -13.087 -7.606 2.935 443 HA THR 61 HA THR 61 -10.757 -9.179 2.117 444 HB THR 61 HB THR 61 -11.640 -11.196 2.735 445 HG1 THR 61 1HG THR 61 -14.242 -10.072 2.887 446 1HG2 THR 61 1HG2 THR 61 -12.210 -11.133 4.949 447 2HG2 THR 61 2HG2 THR 61 -13.222 -9.703 4.763 448 3HG2 THR 61 3HG2 THR 61 -11.464 -9.547 4.737 449 H ILE 62 H ILE 62 -10.576 -9.604 0.096 450 HA ILE 62 HA ILE 62 -12.878 -9.334 -1.729 451 HB ILE 62 HB ILE 62 -10.798 -8.995 -3.393 452 1HG1 ILE 62 2HG1 ILE 62 -9.236 -9.137 -1.380 453 2HG1 ILE 62 1HG1 ILE 62 -8.991 -7.783 -2.476 454 1HG2 ILE 62 1HG2 ILE 62 -11.921 -6.739 -1.752 455 2HG2 ILE 62 2HG2 ILE 62 -12.752 -7.521 -3.089 456 3HG2 ILE 62 3HG2 ILE 62 -11.258 -6.635 -3.382 457 1HD1 ILE 62 1HD1 ILE 62 -8.942 -6.569 -0.600 458 2HD1 ILE 62 2HD1 ILE 62 -9.758 -7.814 0.345 459 3HD1 ILE 62 3HD1 ILE 62 -10.701 -6.702 -0.647 460 H GLU 63 H GLU 63 -13.386 -11.261 -2.701 461 HA GLU 63 HA GLU 63 -11.958 -13.612 -2.203 462 1HB GLU 63 2HB GLU 63 -14.382 -13.337 -2.966 463 2HB GLU 63 1HB GLU 63 -13.733 -13.243 -4.596 464 1HG GLU 63 2HG GLU 63 -12.868 -15.446 -4.470 465 2HG GLU 63 1HG GLU 63 -13.199 -15.544 -2.742 466 H LYS 64 H LYS 64 -10.730 -14.975 -3.590 467 HA LYS 64 HA LYS 64 -9.296 -13.489 -5.685 468 1HB LYS 64 2HB LYS 64 -8.276 -15.731 -3.931 469 2HB LYS 64 1HB LYS 64 -7.363 -14.954 -5.225 470 1HG LYS 64 2HG LYS 64 -7.655 -12.791 -3.988 471 2HG LYS 64 1HG LYS 64 -8.316 -13.724 -2.652 472 1HD LYS 64 2HD LYS 64 -6.090 -13.494 -2.052 473 2HD LYS 64 1HD LYS 64 -6.101 -15.073 -2.828 474 1HE LYS 64 2HE LYS 64 -4.318 -14.184 -3.906 475 2HE LYS 64 1HE LYS 64 -5.582 -13.583 -4.969 476 1HZ LYS 64 1HZ LYS 64 -5.415 -11.466 -4.114 477 2HZ LYS 64 2HZ LYS 64 -3.801 -11.969 -4.089 478 3HZ LYS 64 3HZ LYS 64 -4.710 -11.979 -2.663 479 H SER 65 H SER 65 -8.194 -15.006 -7.271 480 HA SER 65 HA SER 65 -10.049 -16.240 -8.872 481 1HB SER 65 2HB SER 65 -7.344 -15.736 -9.006 482 2HB SER 65 1HB SER 65 -7.415 -17.500 -9.047 483 HG SER 65 HG SER 65 -8.209 -15.655 -10.927 484 H GLY 66 H GLY 66 -8.036 -17.751 -6.380 485 1HA GLY 66 2HA GLY 66 -9.791 -20.114 -6.563 486 2HA GLY 66 1HA GLY 66 -8.044 -20.289 -6.476 487 H VAL 67 H VAL 67 -9.015 -17.672 -4.619 488 HA VAL 67 HA VAL 67 -9.675 -19.179 -2.233 489 HB VAL 67 HB VAL 67 -7.790 -18.491 -0.916 490 1HG1 VAL 67 1HG1 VAL 67 -7.602 -20.565 -2.247 491 2HG1 VAL 67 2HG1 VAL 67 -6.044 -19.817 -1.898 492 3HG1 VAL 67 3HG1 VAL 67 -6.766 -19.644 -3.497 493 1HG2 VAL 67 1HG2 VAL 67 -6.426 -17.344 -3.320 494 2HG2 VAL 67 2HG2 VAL 67 -6.062 -17.102 -1.612 495 3HG2 VAL 67 3HG2 VAL 67 -7.484 -16.345 -2.327 496 H GLN 68 H GLN 68 -8.682 -16.920 -0.531 497 HA GLN 68 HA GLN 68 -10.491 -14.787 -1.427 498 1HB GLN 68 2HB GLN 68 -10.790 -16.503 0.882 499 2HB GLN 68 1HB GLN 68 -10.639 -14.822 1.377 500 1HG GLN 68 2HG GLN 68 -12.476 -15.320 -0.865 501 2HG GLN 68 1HG GLN 68 -12.950 -16.003 0.685 502 1HE2 GLN 68 1HE2 GLN 68 -11.120 -13.059 0.165 503 2HE2 GLN 68 2HE2 GLN 68 -12.305 -11.985 0.809 504 H LEU 69 H LEU 69 -9.722 -12.760 -1.176 505 HA LEU 69 HA LEU 69 -7.090 -12.477 0.097 506 1HB LEU 69 2HB LEU 69 -7.035 -11.780 -2.170 507 2HB LEU 69 1HB LEU 69 -8.511 -10.859 -2.003 508 HG LEU 69 HG LEU 69 -7.442 -9.090 -0.920 509 1HD1 LEU 69 1HD1 LEU 69 -6.051 -9.549 0.750 510 2HD1 LEU 69 2HD1 LEU 69 -4.795 -9.794 -0.461 511 3HD1 LEU 69 3HD1 LEU 69 -5.729 -11.163 0.121 512 1HD2 LEU 69 1HD2 LEU 69 -5.713 -8.437 -2.378 513 2HD2 LEU 69 2HD2 LEU 69 -6.769 -9.486 -3.328 514 3HD2 LEU 69 3HD2 LEU 69 -5.252 -10.111 -2.682 515 H VAL 70 H VAL 70 -6.804 -11.176 1.837 516 HA VAL 70 HA VAL 70 -8.972 -9.363 2.598 517 HB VAL 70 HB VAL 70 -9.396 -10.290 4.626 518 1HG1 VAL 70 1HG1 VAL 70 -9.896 -12.071 3.104 519 2HG1 VAL 70 2HG1 VAL 70 -9.225 -12.769 4.579 520 3HG1 VAL 70 3HG1 VAL 70 -8.220 -12.624 3.135 521 1HG2 VAL 70 1HG2 VAL 70 -7.786 -11.520 6.017 522 2HG2 VAL 70 2HG2 VAL 70 -7.169 -9.934 5.558 523 3HG2 VAL 70 3HG2 VAL 70 -6.583 -11.378 4.737 524 H ILE 71 H ILE 71 -8.136 -7.378 2.841 525 HA ILE 71 HA ILE 71 -5.340 -7.207 3.748 526 HB ILE 71 HB ILE 71 -4.916 -5.358 2.412 527 1HG1 ILE 71 2HG1 ILE 71 -6.901 -4.036 2.968 528 2HG1 ILE 71 1HG1 ILE 71 -6.622 -4.052 1.231 529 1HG2 ILE 71 1HG2 ILE 71 -5.616 -7.655 1.254 530 2HG2 ILE 71 2HG2 ILE 71 -5.059 -6.254 0.340 531 3HG2 ILE 71 3HG2 ILE 71 -6.785 -6.586 0.479 532 1HD1 ILE 71 1HD1 ILE 71 -8.846 -4.434 1.227 533 2HD1 ILE 71 2HD1 ILE 71 -8.830 -5.211 2.810 534 3HD1 ILE 71 3HD1 ILE 71 -8.301 -6.104 1.384 535 H ASP 72 H ASP 72 -4.722 -5.324 4.950 536 HA ASP 72 HA ASP 72 -6.649 -4.763 7.030 537 1HB ASP 72 2HB ASP 72 -4.372 -5.298 7.662 538 2HB ASP 72 1HB ASP 72 -3.762 -3.965 6.683 539 HA PRO 73 HA PRO 73 -8.354 -0.892 5.801 540 1HB PRO 73 2HB PRO 73 -7.513 -0.040 8.544 541 2HB PRO 73 1HB PRO 73 -9.063 0.185 7.723 542 1HG PRO 73 2HG PRO 73 -8.789 -1.716 9.547 543 2HG PRO 73 1HG PRO 73 -9.711 -2.021 8.064 544 1HD PRO 73 2HD PRO 73 -7.000 -2.963 8.837 545 2HD PRO 73 1HD PRO 73 -8.231 -3.763 7.844 546 H MET 74 H MET 74 -5.232 -0.812 7.503 547 HA MET 74 HA MET 74 -4.492 1.769 6.812 548 1HB MET 74 2HB MET 74 -2.975 1.014 8.316 549 2HB MET 74 1HB MET 74 -3.133 -0.649 7.780 550 1HG MET 74 2HG MET 74 -1.434 -0.470 6.267 551 2HG MET 74 1HG MET 74 -1.654 1.264 6.041 552 1HE MET 74 1HE MET 74 -0.875 2.950 7.139 553 2HE MET 74 2HE MET 74 0.720 2.935 7.892 554 3HE MET 74 3HE MET 74 -0.730 2.917 8.897 555 H SER 75 H SER 75 -4.007 -1.282 5.122 556 HA SER 75 HA SER 75 -2.682 -0.059 2.897 557 1HB SER 75 2HB SER 75 -4.066 -2.745 2.889 558 2HB SER 75 1HB SER 75 -2.714 -2.218 1.886 559 HG SER 75 HG SER 75 -2.106 -3.586 3.664 560 H LEU 76 H LEU 76 -5.957 -0.875 3.792 561 HA LEU 76 HA LEU 76 -7.305 -0.844 1.431 562 1HB LEU 76 2HB LEU 76 -8.724 -1.293 3.100 563 2HB LEU 76 1HB LEU 76 -7.942 -0.190 4.204 564 HG LEU 76 HG LEU 76 -9.715 0.823 2.002 565 1HD1 LEU 76 1HD1 LEU 76 -11.105 -0.696 3.176 566 2HD1 LEU 76 2HD1 LEU 76 -11.466 0.909 3.815 567 3HD1 LEU 76 3HD1 LEU 76 -10.435 -0.196 4.728 568 1HD2 LEU 76 1HD2 LEU 76 -9.945 2.411 4.218 569 2HD2 LEU 76 2HD2 LEU 76 -8.865 2.713 2.855 570 3HD2 LEU 76 3HD2 LEU 76 -8.262 1.885 4.293 571 H GLN 77 H GLN 77 -6.373 2.059 3.295 572 HA GLN 77 HA GLN 77 -7.492 3.844 1.385 573 1HB GLN 77 2HB GLN 77 -5.215 4.679 3.137 574 2HB GLN 77 1HB GLN 77 -6.597 5.616 2.598 575 1HG GLN 77 2HG GLN 77 -7.596 5.227 4.522 576 2HG GLN 77 1HG GLN 77 -7.584 3.505 4.176 577 1HE2 GLN 77 1HE2 GLN 77 -4.890 3.013 4.203 578 2HE2 GLN 77 2HE2 GLN 77 -4.280 3.235 5.799 579 H TYR 78 H TYR 78 -4.503 2.112 1.600 580 HA TYR 78 HA TYR 78 -3.121 3.829 -0.249 581 1HB TYR 78 2HB TYR 78 -2.422 1.174 0.996 582 2HB TYR 78 1HB TYR 78 -1.378 1.996 -0.164 583 HD1 TYR 78 1HD TYR 78 0.460 2.870 0.908 584 HD2 TYR 78 2HD TYR 78 -3.333 3.175 2.806 585 HE1 TYR 78 1HE TYR 78 1.485 4.146 2.742 586 HE2 TYR 78 2HE TYR 78 -2.322 4.448 4.643 587 HH TYR 78 HH TYR 78 0.818 5.745 4.471 588 H LEU 79 H LEU 79 -4.706 0.681 -0.341 589 HA LEU 79 HA LEU 79 -4.023 0.406 -3.147 590 1HB LEU 79 2HB LEU 79 -4.828 -1.833 -3.054 591 2HB LEU 79 1HB LEU 79 -3.752 -1.526 -1.721 592 HG LEU 79 HG LEU 79 -6.076 -2.890 -1.543 593 1HD1 LEU 79 1HD1 LEU 79 -4.852 -3.222 0.283 594 2HD1 LEU 79 2HD1 LEU 79 -5.830 -1.932 0.984 595 3HD1 LEU 79 3HD1 LEU 79 -4.247 -1.565 0.300 596 1HD2 LEU 79 1HD2 LEU 79 -7.695 -1.555 -0.315 597 2HD2 LEU 79 2HD2 LEU 79 -7.486 -0.947 -1.954 598 3HD2 LEU 79 3HD2 LEU 79 -6.728 -0.113 -0.599 599 H ILE 80 H ILE 80 -6.644 1.613 -1.388 600 HA ILE 80 HA ILE 80 -8.993 1.175 -2.275 601 HB ILE 80 HB ILE 80 -9.583 3.473 -2.614 602 1HG1 ILE 80 2HG1 ILE 80 -7.932 4.189 -4.190 603 2HG1 ILE 80 1HG1 ILE 80 -7.803 5.231 -2.776 604 1HG2 ILE 80 1HG2 ILE 80 -9.009 2.775 -0.339 605 2HG2 ILE 80 2HG2 ILE 80 -8.683 4.485 -0.618 606 3HG2 ILE 80 3HG2 ILE 80 -7.356 3.327 -0.604 607 1HD1 ILE 80 1HD1 ILE 80 -5.604 4.741 -3.410 608 2HD1 ILE 80 2HD1 ILE 80 -5.969 3.031 -3.653 609 3HD1 ILE 80 3HD1 ILE 80 -5.926 3.700 -2.022 610 H GLY 81 H GLY 81 -9.987 0.472 -3.954 611 1HA GLY 81 2HA GLY 81 -10.294 -0.288 -6.118 612 2HA GLY 81 1HA GLY 81 -10.523 1.439 -6.339 613 H GLY 82 H GLY 82 -7.382 -0.073 -5.695 614 1HA GLY 82 2HA GLY 82 -6.417 1.057 -8.207 615 2HA GLY 82 1HA GLY 82 -5.427 0.317 -6.953 616 H THR 83 H THR 83 -4.288 -1.006 -8.406 617 HA THR 83 HA THR 83 -5.717 -3.417 -9.165 618 HB THR 83 HB THR 83 -4.384 -1.600 -11.161 619 HG1 THR 83 1HG THR 83 -6.896 -2.893 -11.002 620 1HG2 THR 83 1HG2 THR 83 -3.498 -3.369 -12.174 621 2HG2 THR 83 2HG2 THR 83 -5.156 -3.796 -12.601 622 3HG2 THR 83 3HG2 THR 83 -4.401 -4.507 -11.171 623 H VAL 84 H VAL 84 -4.469 -5.198 -8.914 624 HA VAL 84 HA VAL 84 -1.563 -4.803 -8.668 625 HB VAL 84 HB VAL 84 -1.556 -5.435 -6.552 626 1HG1 VAL 84 1HG1 VAL 84 -3.940 -4.562 -6.575 627 2HG1 VAL 84 2HG1 VAL 84 -3.459 -5.585 -5.228 628 3HG1 VAL 84 3HG1 VAL 84 -4.431 -6.253 -6.537 629 1HG2 VAL 84 1HG2 VAL 84 -1.133 -7.648 -7.304 630 2HG2 VAL 84 2HG2 VAL 84 -2.850 -7.956 -7.536 631 3HG2 VAL 84 3HG2 VAL 84 -2.206 -7.742 -5.911 632 H ASP 85 H ASP 85 -0.245 -6.593 -9.161 633 HA ASP 85 HA ASP 85 -1.475 -8.949 -10.279 634 1HB ASP 85 2HB ASP 85 0.008 -8.642 -12.401 635 2HB ASP 85 1HB ASP 85 -1.545 -7.814 -12.302 636 H TYR 86 H TYR 86 -0.123 -10.715 -10.356 637 HA TYR 86 HA TYR 86 2.558 -10.313 -9.208 638 1HB TYR 86 2HB TYR 86 0.409 -11.818 -8.239 639 2HB TYR 86 1HB TYR 86 1.532 -13.000 -8.893 640 HD1 TYR 86 1HD TYR 86 0.638 -11.241 -6.039 641 HD2 TYR 86 2HD TYR 86 4.077 -12.515 -8.186 642 HE1 TYR 86 1HE TYR 86 1.970 -11.085 -3.975 643 HE2 TYR 86 2HE TYR 86 5.425 -12.369 -6.135 644 HH TYR 86 HH TYR 86 4.513 -10.727 -3.453 645 H THR 87 H THR 87 4.263 -11.441 -10.086 646 HA THR 87 HA THR 87 3.782 -13.325 -12.234 647 HB THR 87 HB THR 87 5.325 -10.773 -12.709 648 HG1 THR 87 1HG THR 87 3.503 -10.077 -13.428 649 1HG2 THR 87 1HG2 THR 87 5.889 -11.490 -14.826 650 2HG2 THR 87 2HG2 THR 87 4.687 -12.782 -14.819 651 3HG2 THR 87 3HG2 THR 87 6.151 -12.933 -13.845 652 H GLU 88 H GLU 88 4.789 -14.841 -10.920 653 HA GLU 88 HA GLU 88 7.598 -14.352 -10.234 654 1HB GLU 88 2HB GLU 88 7.412 -16.256 -8.739 655 2HB GLU 88 1HB GLU 88 6.108 -15.121 -8.422 656 1HG GLU 88 2HG GLU 88 5.382 -17.154 -10.362 657 2HG GLU 88 1HG GLU 88 5.855 -17.824 -8.801 658 H GLY 89 H GLY 89 9.111 -16.200 -10.518 659 1HA GLY 89 2HA GLY 89 9.243 -18.430 -11.737 660 2HA GLY 89 1HA GLY 89 8.556 -17.531 -13.085 661 H LEU 90 H LEU 90 11.354 -18.703 -11.827 662 HA LEU 90 HA LEU 90 13.551 -18.457 -12.342 663 1HB LEU 90 2HB LEU 90 12.174 -17.136 -14.624 664 2HB LEU 90 1HB LEU 90 13.906 -16.885 -14.460 665 HG LEU 90 HG LEU 90 14.317 -19.264 -14.609 666 1HD1 LEU 90 1HD1 LEU 90 12.674 -20.507 -13.699 667 2HD1 LEU 90 2HD1 LEU 90 12.076 -20.546 -15.359 668 3HD1 LEU 90 3HD1 LEU 90 11.402 -19.396 -14.203 669 1HD2 LEU 90 1HD2 LEU 90 13.432 -19.672 -16.903 670 2HD2 LEU 90 2HD2 LEU 90 14.238 -18.116 -16.705 671 3HD2 LEU 90 3HD2 LEU 90 12.475 -18.204 -16.746 672 H GLU 91 H GLU 91 12.562 -15.238 -13.455 673 HA GLU 91 HA GLU 91 14.627 -13.855 -12.247 674 1HB GLU 91 2HB GLU 91 11.842 -12.934 -12.963 675 2HB GLU 91 1HB GLU 91 13.126 -11.841 -12.451 676 1HG GLU 91 2HG GLU 91 14.449 -12.993 -14.398 677 2HG GLU 91 1HG GLU 91 12.830 -13.373 -14.984 678 H GLY 92 H GLY 92 11.722 -15.097 -10.829 679 1HA GLY 92 2HA GLY 92 11.786 -15.428 -8.404 680 2HA GLY 92 1HA GLY 92 12.493 -13.819 -8.277 681 H SER 93 H SER 93 10.014 -15.055 -7.122 682 HA SER 93 HA SER 93 7.728 -14.000 -8.325 683 1HB SER 93 2HB SER 93 6.591 -14.493 -6.308 684 2HB SER 93 1HB SER 93 7.876 -15.696 -6.417 685 HG SER 93 HG SER 93 9.116 -14.293 -5.027 686 H ARG 94 H ARG 94 7.640 -11.938 -8.929 687 HA ARG 94 HA ARG 94 8.357 -9.879 -6.956 688 1HB ARG 94 2HB ARG 94 8.262 -8.324 -8.975 689 2HB ARG 94 1HB ARG 94 9.594 -9.469 -8.920 690 1HG ARG 94 2HG ARG 94 8.897 -9.568 -11.120 691 2HG ARG 94 1HG ARG 94 8.092 -10.960 -10.389 692 1HD ARG 94 2HD ARG 94 6.150 -10.161 -11.107 693 2HD ARG 94 1HD ARG 94 6.360 -8.770 -10.047 694 HE ARG 94 HE ARG 94 6.660 -7.522 -11.917 695 1HH1 ARG 94 1HH1 ARG 94 7.656 -10.788 -12.652 696 2HH1 ARG 94 2HH1 ARG 94 8.060 -10.425 -14.296 697 1HH2 ARG 94 1HH2 ARG 94 7.192 -7.048 -14.078 698 2HH2 ARG 94 2HH2 ARG 94 7.797 -8.304 -15.105 699 H PHE 95 H PHE 95 6.947 -7.962 -6.863 700 HA PHE 95 HA PHE 95 4.158 -8.562 -7.573 701 1HB PHE 95 2HB PHE 95 4.733 -9.083 -5.148 702 2HB PHE 95 1HB PHE 95 4.955 -7.351 -4.928 703 HD1 PHE 95 1HD PHE 95 2.390 -9.134 -6.938 704 HD2 PHE 95 2HD PHE 95 3.220 -6.736 -3.517 705 HE1 PHE 95 1HE PHE 95 -0.017 -8.883 -6.530 706 HE2 PHE 95 2HE PHE 95 0.811 -6.485 -3.102 707 HZ PHE 95 HZ PHE 95 -0.809 -7.551 -4.620 708 H THR 96 H THR 96 3.006 -6.885 -8.368 709 HA THR 96 HA THR 96 4.024 -4.165 -7.960 710 HB THR 96 HB THR 96 3.104 -4.831 -10.707 711 HG1 THR 96 1HG THR 96 5.661 -5.503 -9.685 712 1HG2 THR 96 1HG2 THR 96 3.655 -2.627 -10.649 713 2HG2 THR 96 2HG2 THR 96 5.212 -3.320 -11.106 714 3HG2 THR 96 3HG2 THR 96 4.910 -2.855 -9.430 715 H VAL 97 H VAL 97 2.487 -2.688 -7.646 716 HA VAL 97 HA VAL 97 -0.292 -3.364 -8.352 717 HB VAL 97 HB VAL 97 0.355 -1.843 -5.843 718 1HG1 VAL 97 1HG1 VAL 97 -2.034 -3.262 -6.952 719 2HG1 VAL 97 2HG1 VAL 97 -1.894 -1.607 -6.351 720 3HG1 VAL 97 3HG1 VAL 97 -1.877 -2.962 -5.221 721 1HG2 VAL 97 1HG2 VAL 97 1.021 -4.562 -6.262 722 2HG2 VAL 97 2HG2 VAL 97 -0.388 -4.518 -5.207 723 3HG2 VAL 97 3HG2 VAL 97 1.072 -3.638 -4.763 724 H ASN 98 H ASN 98 -1.731 -1.384 -8.313 725 HA ASN 98 HA ASN 98 -0.361 1.145 -8.731 726 1HB ASN 98 2HB ASN 98 -2.146 0.086 -10.922 727 2HB ASN 98 1HB ASN 98 -1.105 1.511 -10.960 728 1HD2 ASN 98 1HD2 ASN 98 -1.400 -1.562 -12.021 729 2HD2 ASN 98 2HD2 ASN 98 0.259 -1.951 -12.281 730 H ASN 99 H ASN 99 -1.560 2.809 -8.023 731 HA ASN 99 HA ASN 99 -4.472 2.534 -7.928 732 1HB ASN 99 2HB ASN 99 -3.401 3.810 -5.515 733 2HB ASN 99 1HB ASN 99 -4.679 2.608 -5.683 734 1HD2 ASN 99 1HD2 ASN 99 -1.840 3.139 -4.267 735 2HD2 ASN 99 2HD2 ASN 99 -1.230 1.527 -4.160 736 HA PRO 100 HA PRO 100 -4.640 6.776 -9.068 737 1HB PRO 100 2HB PRO 100 -6.465 7.894 -7.377 738 2HB PRO 100 1HB PRO 100 -6.902 6.824 -8.720 739 1HG PRO 100 2HG PRO 100 -6.609 6.193 -5.808 740 2HG PRO 100 1HG PRO 100 -7.858 5.660 -6.950 741 1HD PRO 100 2HD PRO 100 -5.804 4.073 -6.223 742 2HD PRO 100 1HD PRO 100 -6.509 4.015 -7.850 743 H ASN 101 H ASN 101 -4.553 6.497 -5.518 744 HA ASN 101 HA ASN 101 -3.545 9.051 -5.002 745 1HB ASN 101 2HB ASN 101 -3.476 8.403 -2.824 746 2HB ASN 101 1HB ASN 101 -4.399 7.031 -3.434 747 1HD2 ASN 101 1HD2 ASN 101 -2.783 5.312 -4.432 748 2HD2 ASN 101 2HD2 ASN 101 -1.515 4.845 -3.348 749 H ALA 102 H ALA 102 -1.949 6.131 -6.036 750 HA ALA 102 HA ALA 102 0.683 6.633 -5.365 751 1HB ALA 102 1HB ALA 102 1.300 5.196 -7.221 752 2HB ALA 102 2HB ALA 102 -0.306 5.384 -7.925 753 3HB ALA 102 3HB ALA 102 -0.110 4.546 -6.386 754 H THR 103 H THR 103 -1.253 8.045 -7.922 755 HA THR 103 HA THR 103 1.051 9.443 -9.032 756 HB THR 103 HB THR 103 -0.530 10.254 -10.734 757 HG1 THR 103 1HG THR 103 -2.481 8.715 -9.379 758 1HG2 THR 103 1HG2 THR 103 0.230 8.305 -11.589 759 2HG2 THR 103 2HG2 THR 103 -1.464 7.860 -11.387 760 3HG2 THR 103 3HG2 THR 103 -0.273 7.361 -10.187 761 H SER 104 H SER 104 1.220 11.707 -9.118 762 HA SER 104 HA SER 104 -0.695 13.388 -7.794 763 1HB SER 104 2HB SER 104 1.093 12.184 -6.101 764 2HB SER 104 1HB SER 104 1.911 13.703 -6.466 765 HG SER 104 HG SER 104 -0.131 14.734 -5.903 766 H THR 105 H THR 105 2.609 13.064 -9.029 767 HA THR 105 HA THR 105 3.760 14.328 -10.541 768 HB THR 105 HB THR 105 1.483 16.278 -10.725 769 HG1 THR 105 1HG THR 105 0.247 14.798 -11.505 770 1HG2 THR 105 1HG2 THR 105 2.953 17.074 -12.224 771 2HG2 THR 105 2HG2 THR 105 2.260 15.815 -13.244 772 3HG2 THR 105 3HG2 THR 105 3.781 15.527 -12.399 773 H CYS 106 H CYS 106 1.745 16.636 -8.704 774 HA CYS 106 HA CYS 106 4.196 17.730 -7.524 775 1HB CYS 106 2HB CYS 106 3.456 20.020 -7.935 776 2HB CYS 106 1HB CYS 106 3.620 19.148 -9.455 777 HG CYS 106 HG CYS 106 0.850 19.759 -8.171 778 H GLY 107 H GLY 107 2.200 15.992 -6.414 779 1HA GLY 107 2HA GLY 107 1.410 17.677 -4.154 780 2HA GLY 107 1HA GLY 107 0.134 16.793 -4.987 781 H CYS 108 H CYS 108 3.204 15.244 -4.869 782 HA CYS 108 HA CYS 108 2.107 13.278 -3.010 783 1HB CYS 108 2HB CYS 108 3.716 13.122 -5.338 784 2HB CYS 108 1HB CYS 108 4.705 12.557 -3.996 785 HG CYS 108 HG CYS 108 3.552 10.431 -4.433 786 H GLY 109 H GLY 109 5.081 15.180 -3.469 787 1HA GLY 109 2HA GLY 109 6.271 16.268 -1.757 788 2HA GLY 109 1HA GLY 109 5.384 15.317 -0.568 789 H SER 110 H SER 110 8.303 15.698 -2.190 790 HA SER 110 HA SER 110 10.276 14.570 -2.142 791 1HB SER 110 2HB SER 110 9.362 14.327 0.349 792 2HB SER 110 1HB SER 110 9.294 12.625 -0.106 793 HG SER 110 HG SER 110 11.545 12.932 -0.796 794 H SER 111 H SER 111 10.864 13.301 -3.761 795 HA SER 111 HA SER 111 9.531 10.701 -4.084 796 1HB SER 111 2HB SER 111 9.416 10.970 -6.476 797 2HB SER 111 1HB SER 111 8.649 12.374 -5.735 798 HG SER 111 HG SER 111 10.461 12.486 -7.519 799 H PHE 112 H PHE 112 10.806 9.048 -4.982 800 HA PHE 112 HA PHE 112 12.716 7.847 -5.294 801 1HB PHE 112 2HB PHE 112 13.965 10.468 -6.131 802 2HB PHE 112 1HB PHE 112 14.499 8.848 -6.568 803 HD1 PHE 112 1HD PHE 112 12.696 11.648 -7.639 804 HD2 PHE 112 2HD PHE 112 12.683 7.395 -7.813 805 HE1 PHE 112 1HE PHE 112 11.299 11.739 -9.662 806 HE2 PHE 112 2HE PHE 112 11.286 7.479 -9.837 807 HZ PHE 112 HZ PHE 112 10.593 9.652 -10.765 808 H SER 113 H SER 113 15.347 8.280 -4.908 809 HA SER 113 HA SER 113 15.576 8.303 -2.081 810 1HB SER 113 2HB SER 113 17.898 7.860 -2.428 811 2HB SER 113 1HB SER 113 17.036 7.014 -3.712 812 HG SER 113 HG SER 113 18.960 8.365 -4.278 813 H ILE 114 H ILE 114 17.933 9.664 -1.608 814 HA ILE 114 HA ILE 114 17.106 12.173 -0.874 815 HB ILE 114 HB ILE 114 19.393 12.735 -0.449 816 1HG1 ILE 114 2HG1 ILE 114 20.300 12.031 -2.661 817 2HG1 ILE 114 1HG1 ILE 114 21.281 11.484 -1.306 818 1HG2 ILE 114 1HG2 ILE 114 18.261 10.942 0.904 819 2HG2 ILE 114 2HG2 ILE 114 20.023 10.952 0.971 820 3HG2 ILE 114 3HG2 ILE 114 19.185 9.767 -0.032 821 1HD1 ILE 114 1HD1 ILE 114 19.910 9.299 -1.526 822 2HD1 ILE 114 2HD1 ILE 114 21.218 9.631 -2.663 823 3HD1 ILE 114 3HD1 ILE 114 19.543 9.905 -3.141 Start of MODEL 12 1 1H MET 1 1HT MET 1 -25.919 -12.320 0.788 2 2H MET 1 2HT MET 1 -27.472 -11.819 1.343 3 3H MET 1 3HT MET 1 -26.110 -11.706 2.381 4 HA MET 1 HA MET 1 -26.796 -10.106 0.029 5 1HB MET 1 2HB MET 1 -25.986 -9.503 2.883 6 2HB MET 1 1HB MET 1 -26.306 -8.285 1.655 7 1HG MET 1 2HG MET 1 -28.446 -10.253 2.045 8 2HG MET 1 1HG MET 1 -28.119 -9.216 3.433 9 1HE MET 1 1HE MET 1 -29.941 -8.511 -0.518 10 2HE MET 1 2HE MET 1 -31.049 -8.822 0.812 11 3HE MET 1 3HE MET 1 -29.734 -9.944 0.489 12 H ILE 2 H ILE 2 -24.987 -8.160 0.187 13 HA ILE 2 HA ILE 2 -22.492 -9.509 -0.534 14 HB ILE 2 HB ILE 2 -22.599 -6.618 -0.983 15 1HG1 ILE 2 2HG1 ILE 2 -24.956 -7.022 -1.380 16 2HG1 ILE 2 1HG1 ILE 2 -24.136 -6.764 -2.919 17 1HG2 ILE 2 1HG2 ILE 2 -21.605 -9.055 -2.246 18 2HG2 ILE 2 2HG2 ILE 2 -20.933 -7.424 -2.240 19 3HG2 ILE 2 3HG2 ILE 2 -22.195 -7.853 -3.394 20 1HD1 ILE 2 1HD1 ILE 2 -25.364 -8.564 -3.500 21 2HD1 ILE 2 2HD1 ILE 2 -25.459 -9.172 -1.850 22 3HD1 ILE 2 3HD1 ILE 2 -23.996 -9.427 -2.794 23 H ASP 3 H ASP 3 -20.804 -7.279 -0.270 24 HA ASP 3 HA ASP 3 -19.606 -6.011 1.228 25 1HB ASP 3 2HB ASP 3 -22.025 -6.004 2.493 26 2HB ASP 3 1HB ASP 3 -21.035 -6.861 3.671 27 H ASP 4 H ASP 4 -19.600 -9.031 0.694 28 HA ASP 4 HA ASP 4 -17.871 -9.833 2.935 29 1HB ASP 4 2HB ASP 4 -19.914 -11.237 2.362 30 2HB ASP 4 1HB ASP 4 -19.103 -11.643 0.859 31 H MET 5 H MET 5 -18.192 -9.752 -0.567 32 HA MET 5 HA MET 5 -15.261 -9.887 -0.778 33 1HB MET 5 2HB MET 5 -15.553 -11.183 -2.900 34 2HB MET 5 1HB MET 5 -16.007 -12.061 -1.445 35 1HG MET 5 2HG MET 5 -17.801 -12.589 -2.688 36 2HG MET 5 1HG MET 5 -18.388 -11.038 -2.083 37 1HE MET 5 1HE MET 5 -19.829 -9.718 -4.640 38 2HE MET 5 2HE MET 5 -18.430 -8.641 -4.580 39 3HE MET 5 3HE MET 5 -19.049 -9.370 -3.098 40 H ALA 6 H ALA 6 -14.431 -8.990 -2.819 41 HA ALA 6 HA ALA 6 -14.220 -7.272 -4.298 42 1HB ALA 6 1HB ALA 6 -16.340 -8.609 -5.149 43 2HB ALA 6 2HB ALA 6 -15.838 -7.096 -5.898 44 3HB ALA 6 3HB ALA 6 -17.150 -7.101 -4.728 45 H VAL 7 H VAL 7 -13.558 -5.703 -2.820 46 HA VAL 7 HA VAL 7 -15.647 -3.802 -2.087 47 HB VAL 7 HB VAL 7 -13.540 -3.656 -0.144 48 1HG1 VAL 7 1HG1 VAL 7 -15.944 -2.885 -0.045 49 2HG1 VAL 7 2HG1 VAL 7 -15.329 -3.723 1.380 50 3HG1 VAL 7 3HG1 VAL 7 -16.369 -4.573 0.234 51 1HG2 VAL 7 1HG2 VAL 7 -13.134 -6.015 -0.616 52 2HG2 VAL 7 2HG2 VAL 7 -14.848 -6.362 -0.424 53 3HG2 VAL 7 3HG2 VAL 7 -13.900 -5.820 0.957 54 HA PRO 8 HA PRO 8 -12.027 -1.071 -3.046 55 1HB PRO 8 2HB PRO 8 -9.719 -1.312 -1.860 56 2HB PRO 8 1HB PRO 8 -11.167 -1.268 -0.845 57 1HG PRO 8 2HG PRO 8 -9.509 -3.619 -1.664 58 2HG PRO 8 1HG PRO 8 -10.276 -3.282 -0.100 59 1HD PRO 8 2HD PRO 8 -11.329 -4.844 -2.250 60 2HD PRO 8 1HD PRO 8 -12.145 -4.392 -0.747 61 H LEU 9 H LEU 9 -8.980 -2.229 -3.027 62 HA LEU 9 HA LEU 9 -8.530 -2.168 -5.764 63 1HB LEU 9 2HB LEU 9 -6.889 -1.825 -3.904 64 2HB LEU 9 1HB LEU 9 -6.876 -3.562 -3.664 65 HG LEU 9 HG LEU 9 -5.110 -3.610 -5.027 66 1HD1 LEU 9 1HD1 LEU 9 -5.516 -3.353 -7.472 67 2HD1 LEU 9 2HD1 LEU 9 -7.158 -2.864 -7.079 68 3HD1 LEU 9 3HD1 LEU 9 -6.591 -4.470 -6.645 69 1HD2 LEU 9 1HD2 LEU 9 -4.581 -1.599 -6.549 70 2HD2 LEU 9 2HD2 LEU 9 -4.435 -1.407 -4.804 71 3HD2 LEU 9 3HD2 LEU 9 -5.852 -0.789 -5.645 72 H THR 10 H THR 10 -8.777 -3.589 -7.345 73 HA THR 10 HA THR 10 -9.346 -6.389 -6.675 74 HB THR 10 HB THR 10 -9.849 -4.775 -9.178 75 HG1 THR 10 1HG THR 10 -11.317 -4.681 -7.304 76 1HG2 THR 10 1HG2 THR 10 -9.844 -6.633 -10.371 77 2HG2 THR 10 2HG2 THR 10 -11.177 -7.225 -9.377 78 3HG2 THR 10 3HG2 THR 10 -9.509 -7.608 -8.940 79 H PHE 11 H PHE 11 -7.740 -7.798 -6.912 80 HA PHE 11 HA PHE 11 -5.318 -7.018 -8.314 81 1HB PHE 11 2HB PHE 11 -4.291 -8.877 -7.232 82 2HB PHE 11 1HB PHE 11 -5.335 -8.119 -6.039 83 HD1 PHE 11 1HD PHE 11 -4.637 -11.027 -7.993 84 HD2 PHE 11 2HD PHE 11 -7.479 -9.191 -5.435 85 HE1 PHE 11 1HE PHE 11 -5.725 -13.192 -7.686 86 HE2 PHE 11 2HE PHE 11 -8.599 -11.365 -5.105 87 HZ PHE 11 HZ PHE 11 -7.723 -13.365 -6.245 88 H THR 12 H THR 12 -4.220 -9.093 -9.434 89 HA THR 12 HA THR 12 -5.949 -9.659 -11.698 90 HB THR 12 HB THR 12 -3.484 -9.008 -11.843 91 HG1 THR 12 1HG THR 12 -3.422 -11.172 -13.372 92 1HG2 THR 12 1HG2 THR 12 -1.828 -10.709 -11.714 93 2HG2 THR 12 2HG2 THR 12 -3.036 -11.928 -11.316 94 3HG2 THR 12 3HG2 THR 12 -2.669 -10.649 -10.164 95 H ASP 13 H ASP 13 -4.822 -12.158 -12.492 96 HA ASP 13 HA ASP 13 -6.368 -13.923 -10.761 97 1HB ASP 13 2HB ASP 13 -5.065 -14.412 -13.447 98 2HB ASP 13 1HB ASP 13 -6.080 -15.569 -12.590 99 H ALA 14 H ALA 14 -3.119 -13.582 -12.051 100 HA ALA 14 HA ALA 14 -2.007 -15.904 -10.973 101 1HB ALA 14 1HB ALA 14 0.133 -14.939 -11.438 102 2HB ALA 14 2HB ALA 14 -0.548 -13.310 -11.451 103 3HB ALA 14 3HB ALA 14 -0.975 -14.453 -12.722 104 H ALA 15 H ALA 15 -2.350 -12.652 -9.575 105 HA ALA 15 HA ALA 15 -0.778 -12.998 -7.312 106 1HB ALA 15 1HB ALA 15 -1.588 -10.998 -6.722 107 2HB ALA 15 2HB ALA 15 -3.247 -11.590 -6.710 108 3HB ALA 15 3HB ALA 15 -2.515 -11.041 -8.222 109 H ALA 16 H ALA 16 -3.939 -14.179 -8.142 110 HA ALA 16 HA ALA 16 -4.614 -15.228 -5.568 111 1HB ALA 16 1HB ALA 16 -6.277 -14.779 -7.375 112 2HB ALA 16 2HB ALA 16 -6.366 -16.418 -6.735 113 3HB ALA 16 3HB ALA 16 -5.572 -16.115 -8.283 114 H ASN 17 H ASN 17 -3.186 -16.446 -8.517 115 HA ASN 17 HA ASN 17 -2.924 -19.122 -7.850 116 1HB ASN 17 2HB ASN 17 -1.388 -17.306 -9.689 117 2HB ASN 17 1HB ASN 17 -0.948 -18.994 -9.509 118 1HD2 ASN 17 1HD2 ASN 17 -3.771 -16.954 -10.118 119 2HD2 ASN 17 2HD2 ASN 17 -4.471 -17.986 -11.309 120 H LYS 18 H LYS 18 -0.724 -16.402 -7.299 121 HA LYS 18 HA LYS 18 1.451 -17.800 -6.278 122 1HB LYS 18 2HB LYS 18 1.782 -15.516 -6.750 123 2HB LYS 18 1HB LYS 18 0.385 -15.027 -5.804 124 1HG LYS 18 2HG LYS 18 2.717 -16.311 -4.452 125 2HG LYS 18 1HG LYS 18 2.778 -14.605 -4.899 126 1HD LYS 18 2HD LYS 18 0.343 -14.730 -3.730 127 2HD LYS 18 1HD LYS 18 1.209 -15.964 -2.814 128 1HE LYS 18 2HE LYS 18 1.988 -13.075 -3.167 129 2HE LYS 18 1HE LYS 18 1.428 -13.851 -1.687 130 1HZ LYS 18 1HZ LYS 18 4.042 -13.596 -2.580 131 2HZ LYS 18 2HZ LYS 18 3.666 -15.241 -2.705 132 3HZ LYS 18 3HZ LYS 18 3.496 -14.446 -1.222 133 H VAL 19 H VAL 19 -1.599 -16.941 -4.826 134 HA VAL 19 HA VAL 19 -0.780 -17.652 -2.151 135 HB VAL 19 HB VAL 19 -3.517 -17.041 -3.264 136 1HG1 VAL 19 1HG1 VAL 19 -2.599 -17.867 -0.603 137 2HG1 VAL 19 2HG1 VAL 19 -4.202 -17.954 -1.327 138 3HG1 VAL 19 3HG1 VAL 19 -3.643 -16.443 -0.605 139 1HG2 VAL 19 1HG2 VAL 19 -2.949 -14.901 -3.225 140 2HG2 VAL 19 2HG2 VAL 19 -1.310 -15.348 -2.760 141 3HG2 VAL 19 3HG2 VAL 19 -2.519 -15.026 -1.521 142 H LYS 20 H LYS 20 -3.486 -18.820 -4.120 143 HA LYS 20 HA LYS 20 -3.999 -21.146 -2.753 144 1HB LYS 20 2HB LYS 20 -4.889 -21.966 -5.020 145 2HB LYS 20 1HB LYS 20 -5.607 -20.527 -4.324 146 1HG LYS 20 2HG LYS 20 -5.138 -19.398 -6.166 147 2HG LYS 20 1HG LYS 20 -3.418 -19.711 -5.927 148 1HD LYS 20 2HD LYS 20 -5.339 -21.595 -7.293 149 2HD LYS 20 1HD LYS 20 -4.259 -20.482 -8.130 150 1HE LYS 20 2HE LYS 20 -2.374 -21.613 -6.833 151 2HE LYS 20 1HE LYS 20 -3.555 -22.873 -6.454 152 1HZ LYS 20 1HZ LYS 20 -3.909 -23.110 -8.886 153 2HZ LYS 20 2HZ LYS 20 -2.353 -23.537 -8.376 154 3HZ LYS 20 3HZ LYS 20 -2.612 -22.057 -9.146 155 H SER 21 H SER 21 -1.339 -20.506 -4.843 156 HA SER 21 HA SER 21 -0.898 -23.284 -5.435 157 1HB SER 21 2HB SER 21 -0.406 -21.511 -7.104 158 2HB SER 21 1HB SER 21 0.895 -20.936 -6.059 159 HG SER 21 HG SER 21 0.896 -22.986 -7.813 160 H LEU 22 H LEU 22 0.759 -20.800 -3.505 161 HA LEU 22 HA LEU 22 2.682 -22.762 -2.619 162 1HB LEU 22 2HB LEU 22 3.973 -21.046 -1.989 163 2HB LEU 22 1HB LEU 22 2.877 -20.090 -2.961 164 HG LEU 22 HG LEU 22 3.366 -18.998 -0.856 165 1HD1 LEU 22 1HD1 LEU 22 1.302 -18.366 -1.653 166 2HD1 LEU 22 2HD1 LEU 22 0.950 -18.860 -0.001 167 3HD1 LEU 22 3HD1 LEU 22 0.583 -19.929 -1.341 168 1HD2 LEU 22 1HD2 LEU 22 3.298 -19.940 1.176 169 2HD2 LEU 22 2HD2 LEU 22 3.413 -21.452 0.284 170 3HD2 LEU 22 3HD2 LEU 22 1.839 -20.857 0.823 171 H ILE 23 H ILE 23 -0.331 -21.475 -1.526 172 HA ILE 23 HA ILE 23 -0.017 -22.206 1.200 173 HB ILE 23 HB ILE 23 -2.464 -21.963 1.326 174 1HG1 ILE 23 2HG1 ILE 23 -3.234 -20.754 -0.966 175 2HG1 ILE 23 1HG1 ILE 23 -2.127 -21.969 -1.603 176 1HG2 ILE 23 1HG2 ILE 23 -0.614 -19.910 0.322 177 2HG2 ILE 23 2HG2 ILE 23 -1.579 -19.937 1.793 178 3HG2 ILE 23 3HG2 ILE 23 -2.325 -19.513 0.252 179 1HD1 ILE 23 1HD1 ILE 23 -3.748 -23.461 -1.479 180 2HD1 ILE 23 2HD1 ILE 23 -4.821 -22.278 -0.735 181 3HD1 ILE 23 3HD1 ILE 23 -3.768 -23.266 0.275 182 H SER 24 H SER 24 -1.627 -23.653 -1.596 183 HA SER 24 HA SER 24 -2.510 -25.996 -0.344 184 1HB SER 24 2HB SER 24 -2.110 -25.068 -3.119 185 2HB SER 24 1HB SER 24 -2.030 -26.813 -2.904 186 HG SER 24 HG SER 24 -4.139 -25.361 -1.740 187 H GLU 25 H GLU 25 0.559 -24.905 -1.384 188 HA GLU 25 HA GLU 25 1.808 -27.476 -1.461 189 1HB GLU 25 2HB GLU 25 2.486 -24.797 -2.233 190 2HB GLU 25 1HB GLU 25 3.769 -25.461 -1.237 191 1HG GLU 25 2HG GLU 25 4.256 -27.138 -2.746 192 2HG GLU 25 1HG GLU 25 2.664 -27.056 -3.498 193 H GLU 26 H GLU 26 1.027 -25.116 0.906 194 HA GLU 26 HA GLU 26 3.099 -25.927 2.745 195 1HB GLU 26 2HB GLU 26 0.652 -24.226 3.153 196 2HB GLU 26 1HB GLU 26 1.915 -24.463 4.354 197 1HG GLU 26 2HG GLU 26 2.868 -23.544 1.748 198 2HG GLU 26 1HG GLU 26 1.801 -22.414 2.582 199 H GLU 27 H GLU 27 0.027 -26.989 1.804 200 HA GLU 27 HA GLU 27 -1.124 -28.869 2.401 201 1HB GLU 27 2HB GLU 27 1.303 -29.444 3.508 202 2HB GLU 27 1HB GLU 27 0.299 -29.353 4.945 203 1HG GLU 27 2HG GLU 27 -0.664 -30.954 2.642 204 2HG GLU 27 1HG GLU 27 0.632 -31.601 3.643 205 H ASN 28 H ASN 28 -1.110 -25.980 3.628 206 HA ASN 28 HA ASN 28 -2.257 -26.085 6.170 207 1HB ASN 28 2HB ASN 28 -3.401 -24.092 4.274 208 2HB ASN 28 1HB ASN 28 -2.817 -23.872 5.912 209 1HD2 ASN 28 1HD2 ASN 28 -2.223 -23.400 2.690 210 2HD2 ASN 28 2HD2 ASN 28 -0.580 -22.915 2.796 211 H THR 29 H THR 29 -4.045 -25.480 3.179 212 HA THR 29 HA THR 29 -5.838 -27.499 3.104 213 HB THR 29 HB THR 29 -6.580 -27.334 5.315 214 HG1 THR 29 1HG THR 29 -8.412 -25.603 4.041 215 1HG2 THR 29 1HG2 THR 29 -7.410 -24.618 5.594 216 2HG2 THR 29 2HG2 THR 29 -5.694 -24.674 5.175 217 3HG2 THR 29 3HG2 THR 29 -6.301 -25.550 6.583 218 H ASP 30 H ASP 30 -5.953 -23.947 3.373 219 HA ASP 30 HA ASP 30 -6.525 -23.394 0.723 220 1HB ASP 30 2HB ASP 30 -8.876 -24.286 2.249 221 2HB ASP 30 1HB ASP 30 -9.089 -22.717 1.464 222 H LEU 31 H LEU 31 -4.922 -22.116 1.999 223 HA LEU 31 HA LEU 31 -5.558 -20.216 3.885 224 1HB LEU 31 2HB LEU 31 -3.376 -20.967 2.247 225 2HB LEU 31 1HB LEU 31 -3.506 -19.232 2.197 226 HG LEU 31 HG LEU 31 -1.999 -19.787 3.939 227 1HD1 LEU 31 1HD1 LEU 31 -3.007 -18.740 5.797 228 2HD1 LEU 31 2HD1 LEU 31 -4.612 -19.292 5.322 229 3HD1 LEU 31 3HD1 LEU 31 -3.785 -18.065 4.368 230 1HD2 LEU 31 1HD2 LEU 31 -2.097 -21.663 5.106 231 2HD2 LEU 31 2HD2 LEU 31 -3.525 -22.122 4.164 232 3HD2 LEU 31 3HD2 LEU 31 -3.708 -21.283 5.706 233 H LYS 32 H LYS 32 -5.563 -17.933 3.698 234 HA LYS 32 HA LYS 32 -6.799 -16.906 1.234 235 1HB LYS 32 2HB LYS 32 -7.560 -15.397 3.583 236 2HB LYS 32 1HB LYS 32 -8.586 -16.162 2.378 237 1HG LYS 32 2HG LYS 32 -7.344 -17.846 4.495 238 2HG LYS 32 1HG LYS 32 -8.734 -16.840 4.893 239 1HD LYS 32 2HD LYS 32 -8.830 -18.578 2.469 240 2HD LYS 32 1HD LYS 32 -9.073 -19.290 4.064 241 1HE LYS 32 2HE LYS 32 -10.573 -16.841 3.695 242 2HE LYS 32 1HE LYS 32 -11.002 -18.072 2.507 243 1HZ LYS 32 1HZ LYS 32 -11.445 -19.608 4.295 244 2HZ LYS 32 2HZ LYS 32 -12.361 -18.208 4.516 245 3HZ LYS 32 3HZ LYS 32 -10.975 -18.471 5.450 246 H LEU 33 H LEU 33 -5.742 -15.186 0.382 247 HA LEU 33 HA LEU 33 -3.337 -14.287 1.507 248 1HB LEU 33 2HB LEU 33 -4.141 -14.261 -0.939 249 2HB LEU 33 1HB LEU 33 -4.908 -12.743 -0.525 250 HG LEU 33 HG LEU 33 -2.635 -12.610 -1.641 251 1HD1 LEU 33 1HD1 LEU 33 -3.662 -11.144 0.648 252 2HD1 LEU 33 2HD1 LEU 33 -3.016 -10.559 -0.875 253 3HD1 LEU 33 3HD1 LEU 33 -1.921 -10.981 0.439 254 1HD2 LEU 33 1HD2 LEU 33 -0.821 -13.511 -0.726 255 2HD2 LEU 33 2HD2 LEU 33 -1.897 -14.364 0.380 256 3HD2 LEU 33 3HD2 LEU 33 -1.191 -12.818 0.854 257 H ARG 34 H ARG 34 -2.763 -12.347 2.460 258 HA ARG 34 HA ARG 34 -4.900 -10.516 3.183 259 1HB ARG 34 2HB ARG 34 -4.819 -11.980 5.096 260 2HB ARG 34 1HB ARG 34 -3.073 -11.822 5.198 261 1HG ARG 34 2HG ARG 34 -4.184 -9.220 5.312 262 2HG ARG 34 1HG ARG 34 -5.086 -10.243 6.430 263 1HD ARG 34 2HD ARG 34 -3.265 -10.634 7.757 264 2HD ARG 34 1HD ARG 34 -2.121 -10.436 6.431 265 HE ARG 34 HE ARG 34 -3.106 -7.946 6.744 266 1HH1 ARG 34 1HH1 ARG 34 -1.755 -10.249 8.986 267 2HH1 ARG 34 2HH1 ARG 34 -1.119 -9.035 10.047 268 1HH2 ARG 34 1HH2 ARG 34 -2.273 -6.347 8.134 269 2HH2 ARG 34 2HH2 ARG 34 -1.416 -6.818 9.558 270 H VAL 35 H VAL 35 -4.111 -8.938 1.963 271 HA VAL 35 HA VAL 35 -1.369 -8.269 1.759 272 HB VAL 35 HB VAL 35 -3.667 -6.459 1.104 273 1HG1 VAL 35 1HG1 VAL 35 -0.865 -6.736 0.041 274 2HG1 VAL 35 2HG1 VAL 35 -1.540 -5.380 0.944 275 3HG1 VAL 35 3HG1 VAL 35 -2.105 -5.719 -0.693 276 1HG2 VAL 35 1HG2 VAL 35 -4.250 -8.484 0.071 277 2HG2 VAL 35 2HG2 VAL 35 -2.585 -8.802 -0.416 278 3HG2 VAL 35 3HG2 VAL 35 -3.499 -7.505 -1.186 279 H TYR 36 H TYR 36 -0.334 -6.394 2.347 280 HA TYR 36 HA TYR 36 -1.478 -4.733 4.453 281 1HB TYR 36 2HB TYR 36 1.013 -4.947 5.456 282 2HB TYR 36 1HB TYR 36 -0.321 -5.961 5.993 283 HD1 TYR 36 1HD TYR 36 -0.632 -8.185 4.611 284 HD2 TYR 36 2HD TYR 36 2.987 -5.961 4.822 285 HE1 TYR 36 1HE TYR 36 0.632 -10.195 3.977 286 HE2 TYR 36 2HE TYR 36 4.267 -7.963 4.185 287 HH TYR 36 HH TYR 36 4.053 -10.357 4.181 288 H ILE 37 H ILE 37 0.426 -2.982 4.965 289 HA ILE 37 HA ILE 37 0.960 -1.857 2.332 290 HB ILE 37 HB ILE 37 1.081 -0.657 5.091 291 1HG1 ILE 37 2HG1 ILE 37 -1.146 -0.911 4.074 292 2HG1 ILE 37 1HG1 ILE 37 -0.696 0.790 4.209 293 1HG2 ILE 37 1HG2 ILE 37 2.282 0.276 2.551 294 2HG2 ILE 37 2HG2 ILE 37 2.765 0.594 4.219 295 3HG2 ILE 37 3HG2 ILE 37 1.413 1.478 3.509 296 1HD1 ILE 37 1HD1 ILE 37 -1.523 0.762 2.098 297 2HD1 ILE 37 2HD1 ILE 37 -1.035 -0.904 1.806 298 3HD1 ILE 37 3HD1 ILE 37 0.164 0.388 1.752 299 H THR 38 H THR 38 2.768 -2.465 1.402 300 HA THR 38 HA THR 38 5.237 -2.523 3.008 301 HB THR 38 HB THR 38 4.699 -4.118 0.501 302 HG1 THR 38 1HG THR 38 4.692 -5.036 3.181 303 1HG2 THR 38 1HG2 THR 38 7.070 -3.667 2.039 304 2HG2 THR 38 2HG2 THR 38 6.854 -4.581 0.546 305 3HG2 THR 38 3HG2 THR 38 6.608 -5.369 2.106 306 H GLY 39 H GLY 39 3.749 -1.693 -0.068 307 1HA GLY 39 2HA GLY 39 4.451 -0.380 -1.820 308 2HA GLY 39 1HA GLY 39 4.959 0.691 -0.521 309 H GLY 40 H GLY 40 6.503 1.282 -2.287 310 1HA GLY 40 2HA GLY 40 8.721 -0.608 -2.601 311 2HA GLY 40 1HA GLY 40 8.505 0.896 -3.491 312 H GLY 41 H GLY 41 8.073 0.970 -0.068 313 1HA GLY 41 2HA GLY 41 9.643 1.489 1.624 314 2HA GLY 41 1HA GLY 41 10.832 1.843 0.378 315 H CYS 42 H CYS 42 9.378 3.607 -1.205 316 HA CYS 42 HA CYS 42 9.140 5.906 0.615 317 1HB CYS 42 2HB CYS 42 9.979 5.697 -2.273 318 2HB CYS 42 1HB CYS 42 9.530 7.234 -1.542 319 HG CYS 42 HG CYS 42 12.196 5.919 -1.284 320 H SER 43 H SER 43 7.558 4.079 -1.891 321 HA SER 43 HA SER 43 5.169 5.771 -1.560 322 1HB SER 43 2HB SER 43 6.493 5.709 -3.868 323 2HB SER 43 1HB SER 43 5.551 4.235 -4.091 324 HG SER 43 HG SER 43 4.684 6.492 -4.707 325 H GLY 44 H GLY 44 3.404 4.160 -3.013 326 1HA GLY 44 2HA GLY 44 3.505 1.541 -1.687 327 2HA GLY 44 1HA GLY 44 2.108 2.571 -1.411 328 H PHE 45 H PHE 45 3.732 0.476 -3.633 329 HA PHE 45 HA PHE 45 1.322 0.442 -5.297 330 1HB PHE 45 2HB PHE 45 2.545 0.529 -7.352 331 2HB PHE 45 1HB PHE 45 3.074 1.897 -6.367 332 HD1 PHE 45 1HD PHE 45 5.120 1.034 -4.672 333 HD2 PHE 45 2HD PHE 45 4.217 -0.391 -8.583 334 HE1 PHE 45 1HE PHE 45 7.439 0.285 -4.934 335 HE2 PHE 45 2HE PHE 45 6.545 -1.139 -8.849 336 HZ PHE 45 HZ PHE 45 8.161 -0.802 -7.022 337 H GLN 46 H GLN 46 3.369 -1.308 -3.427 338 HA GLN 46 HA GLN 46 3.111 -3.716 -5.089 339 1HB GLN 46 2HB GLN 46 5.147 -2.794 -3.149 340 2HB GLN 46 1HB GLN 46 4.784 -4.515 -3.144 341 1HG GLN 46 2HG GLN 46 5.456 -4.773 -5.378 342 2HG GLN 46 1HG GLN 46 5.447 -3.033 -5.662 343 1HE2 GLN 46 1HE2 GLN 46 6.920 -1.835 -4.044 344 2HE2 GLN 46 2HE2 GLN 46 8.511 -2.495 -3.868 345 H TYR 47 H TYR 47 3.183 -2.933 -1.608 346 HA TYR 47 HA TYR 47 1.815 -3.578 0.101 347 1HB TYR 47 2HB TYR 47 -0.017 -4.764 -1.986 348 2HB TYR 47 1HB TYR 47 -0.420 -4.337 -0.329 349 HD1 TYR 47 1HD TYR 47 0.134 -3.068 -3.701 350 HD2 TYR 47 2HD TYR 47 -0.717 -2.017 0.324 351 HE1 TYR 47 1HE TYR 47 -0.560 -0.828 -4.444 352 HE2 TYR 47 2HE TYR 47 -1.416 0.229 -0.399 353 HH TYR 47 HH TYR 47 -1.071 1.750 -2.270 354 H GLY 48 H GLY 48 2.603 -5.100 1.335 355 1HA GLY 48 2HA GLY 48 3.643 -7.548 0.328 356 2HA GLY 48 1HA GLY 48 3.494 -7.109 2.019 357 H PHE 49 H PHE 49 2.787 -9.494 0.114 358 HA PHE 49 HA PHE 49 0.034 -9.912 1.030 359 1HB PHE 49 2HB PHE 49 1.643 -10.940 -1.265 360 2HB PHE 49 1HB PHE 49 0.302 -11.905 -0.662 361 HD1 PHE 49 1HD PHE 49 0.500 -8.225 -0.805 362 HD2 PHE 49 2HD PHE 49 -1.200 -11.757 -2.434 363 HE1 PHE 49 1HE PHE 49 -1.073 -6.856 -2.086 364 HE2 PHE 49 2HE PHE 49 -2.800 -10.406 -3.720 365 HZ PHE 49 HZ PHE 49 -2.735 -7.943 -3.557 366 H THR 50 H THR 50 -0.496 -11.469 2.411 367 HA THR 50 HA THR 50 1.490 -13.547 3.059 368 HB THR 50 HB THR 50 1.325 -11.690 4.825 369 HG1 THR 50 1HG THR 50 2.232 -13.572 5.454 370 1HG2 THR 50 1HG2 THR 50 -0.491 -11.490 6.198 371 2HG2 THR 50 2HG2 THR 50 -1.105 -13.099 5.807 372 3HG2 THR 50 3HG2 THR 50 -1.271 -11.775 4.651 373 H PHE 51 H PHE 51 0.474 -15.502 4.051 374 HA PHE 51 HA PHE 51 -2.220 -15.868 2.954 375 1HB PHE 51 2HB PHE 51 -0.304 -18.094 3.636 376 2HB PHE 51 1HB PHE 51 -1.671 -18.117 2.520 377 HD1 PHE 51 1HD PHE 51 1.840 -17.546 2.871 378 HD2 PHE 51 2HD PHE 51 -1.536 -16.719 0.436 379 HE1 PHE 51 1HE PHE 51 3.340 -16.884 1.036 380 HE2 PHE 51 2HE PHE 51 -0.055 -16.056 -1.411 381 HZ PHE 51 HZ PHE 51 2.392 -16.136 -1.111 382 H ASP 52 H ASP 52 -3.555 -15.378 4.542 383 HA ASP 52 HA ASP 52 -3.156 -16.699 7.134 384 1HB ASP 52 2HB ASP 52 -4.200 -14.871 8.234 385 2HB ASP 52 1HB ASP 52 -3.035 -14.177 7.106 386 H GLU 53 H GLU 53 -4.408 -18.344 7.410 387 HA GLU 53 HA GLU 53 -6.819 -18.787 5.961 388 1HB GLU 53 2HB GLU 53 -5.052 -20.320 7.543 389 2HB GLU 53 1HB GLU 53 -6.648 -20.476 8.265 390 1HG GLU 53 2HG GLU 53 -6.772 -20.729 5.403 391 2HG GLU 53 1HG GLU 53 -5.635 -21.880 6.098 392 H LYS 54 H LYS 54 -6.091 -17.134 8.843 393 HA LYS 54 HA LYS 54 -8.400 -17.519 10.346 394 1HB LYS 54 2HB LYS 54 -7.790 -15.050 11.114 395 2HB LYS 54 1HB LYS 54 -6.824 -16.437 11.594 396 1HG LYS 54 2HG LYS 54 -5.935 -15.324 9.071 397 2HG LYS 54 1HG LYS 54 -5.905 -14.139 10.381 398 1HD LYS 54 2HD LYS 54 -4.703 -16.893 10.585 399 2HD LYS 54 1HD LYS 54 -3.794 -15.463 10.089 400 1HE LYS 54 2HE LYS 54 -3.337 -15.353 12.304 401 2HE LYS 54 1HE LYS 54 -4.897 -14.526 12.344 402 1HZ LYS 54 1HZ LYS 54 -4.969 -17.426 12.564 403 2HZ LYS 54 2HZ LYS 54 -5.877 -16.257 13.377 404 3HZ LYS 54 3HZ LYS 54 -4.305 -16.602 13.887 405 H VAL 55 H VAL 55 -8.065 -14.200 9.400 406 HA VAL 55 HA VAL 55 -9.701 -13.791 7.300 407 HB VAL 55 HB VAL 55 -11.400 -15.197 8.390 408 1HG1 VAL 55 1HG1 VAL 55 -11.477 -12.946 10.378 409 2HG1 VAL 55 2HG1 VAL 55 -11.138 -14.653 10.693 410 3HG1 VAL 55 3HG1 VAL 55 -12.740 -14.149 10.168 411 1HG2 VAL 55 1HG2 VAL 55 -11.691 -12.697 7.110 412 2HG2 VAL 55 2HG2 VAL 55 -12.958 -12.836 8.323 413 3HG2 VAL 55 3HG2 VAL 55 -12.781 -14.080 7.097 414 H ASN 56 H ASN 56 -8.673 -12.742 10.412 415 HA ASN 56 HA ASN 56 -8.533 -10.689 11.384 416 1HB ASN 56 2HB ASN 56 -8.113 -9.979 8.472 417 2HB ASN 56 1HB ASN 56 -7.824 -8.866 9.811 418 1HD2 ASN 56 1HD2 ASN 56 -7.097 -12.256 9.063 419 2HD2 ASN 56 2HD2 ASN 56 -5.432 -12.166 9.497 420 H ASP 57 H ASP 57 -10.590 -10.502 12.196 421 HA ASP 57 HA ASP 57 -12.935 -9.906 10.929 422 1HB ASP 57 2HB ASP 57 -13.586 -8.686 13.079 423 2HB ASP 57 1HB ASP 57 -13.052 -10.354 13.249 424 H GLY 58 H GLY 58 -10.664 -7.445 12.203 425 1HA GLY 58 2HA GLY 58 -12.138 -5.345 10.835 426 2HA GLY 58 1HA GLY 58 -10.700 -5.138 11.837 427 H ASP 59 H ASP 59 -11.420 -7.043 8.923 428 HA ASP 59 HA ASP 59 -9.421 -5.561 7.402 429 1HB ASP 59 2HB ASP 59 -8.234 -7.456 8.538 430 2HB ASP 59 1HB ASP 59 -9.321 -8.569 7.717 431 H LEU 60 H LEU 60 -10.500 -4.996 5.594 432 HA LEU 60 HA LEU 60 -12.851 -6.241 4.704 433 1HB LEU 60 2HB LEU 60 -10.984 -4.699 2.910 434 2HB LEU 60 1HB LEU 60 -12.723 -4.874 2.766 435 HG LEU 60 HG LEU 60 -11.139 -3.005 4.421 436 1HD1 LEU 60 1HD1 LEU 60 -12.265 -2.044 2.621 437 2HD1 LEU 60 2HD1 LEU 60 -13.291 -1.682 4.011 438 3HD1 LEU 60 3HD1 LEU 60 -13.725 -2.988 2.907 439 1HD2 LEU 60 1HD2 LEU 60 -13.303 -2.779 5.869 440 2HD2 LEU 60 2HD2 LEU 60 -12.069 -3.958 6.309 441 3HD2 LEU 60 3HD2 LEU 60 -13.523 -4.480 5.459 442 H THR 61 H THR 61 -13.243 -7.897 3.281 443 HA THR 61 HA THR 61 -10.848 -9.239 2.237 444 HB THR 61 HB THR 61 -11.652 -11.317 2.839 445 HG1 THR 61 1HG THR 61 -14.219 -10.155 3.082 446 1HG2 THR 61 1HG2 THR 61 -11.845 -11.274 5.075 447 2HG2 THR 61 2HG2 THR 61 -13.098 -10.028 5.053 448 3HG2 THR 61 3HG2 THR 61 -11.404 -9.583 4.840 449 H ILE 62 H ILE 62 -10.708 -9.655 0.211 450 HA ILE 62 HA ILE 62 -13.097 -9.525 -1.505 451 HB ILE 62 HB ILE 62 -11.004 -9.279 -3.248 452 1HG1 ILE 62 2HG1 ILE 62 -9.448 -9.065 -1.272 453 2HG1 ILE 62 1HG1 ILE 62 -9.374 -7.741 -2.428 454 1HG2 ILE 62 1HG2 ILE 62 -13.098 -7.634 -2.219 455 2HG2 ILE 62 2HG2 ILE 62 -12.366 -7.641 -3.822 456 3HG2 ILE 62 3HG2 ILE 62 -11.673 -6.645 -2.543 457 1HD1 ILE 62 1HD1 ILE 62 -9.604 -6.369 -0.707 458 2HD1 ILE 62 2HD1 ILE 62 -9.987 -7.700 0.383 459 3HD1 ILE 62 3HD1 ILE 62 -11.267 -6.938 -0.560 460 H GLU 63 H GLU 63 -13.560 -11.404 -2.615 461 HA GLU 63 HA GLU 63 -12.235 -13.776 -1.960 462 1HB GLU 63 2HB GLU 63 -14.581 -13.482 -2.882 463 2HB GLU 63 1HB GLU 63 -13.836 -13.405 -4.472 464 1HG GLU 63 2HG GLU 63 -12.759 -15.643 -3.873 465 2HG GLU 63 1HG GLU 63 -13.936 -15.707 -2.562 466 H LYS 64 H LYS 64 -10.939 -15.187 -3.189 467 HA LYS 64 HA LYS 64 -9.246 -13.808 -5.155 468 1HB LYS 64 2HB LYS 64 -8.248 -14.548 -2.960 469 2HB LYS 64 1HB LYS 64 -8.547 -16.200 -3.465 470 1HG LYS 64 2HG LYS 64 -6.755 -16.263 -4.774 471 2HG LYS 64 1HG LYS 64 -7.071 -14.670 -5.444 472 1HD LYS 64 2HD LYS 64 -6.201 -14.551 -2.662 473 2HD LYS 64 1HD LYS 64 -5.026 -15.342 -3.708 474 1HE LYS 64 2HE LYS 64 -5.231 -13.393 -5.262 475 2HE LYS 64 1HE LYS 64 -6.207 -12.590 -4.033 476 1HZ LYS 64 1HZ LYS 64 -3.370 -12.903 -4.187 477 2HZ LYS 64 2HZ LYS 64 -3.981 -13.407 -2.696 478 3HZ LYS 64 3HZ LYS 64 -4.286 -11.839 -3.243 479 H SER 65 H SER 65 -8.421 -15.079 -6.920 480 HA SER 65 HA SER 65 -10.266 -16.411 -8.420 481 1HB SER 65 2HB SER 65 -7.678 -15.680 -8.771 482 2HB SER 65 1HB SER 65 -7.517 -17.432 -8.730 483 HG SER 65 HG SER 65 -9.215 -15.919 -10.435 484 H GLY 66 H GLY 66 -8.081 -17.771 -6.020 485 1HA GLY 66 2HA GLY 66 -9.615 -20.286 -6.193 486 2HA GLY 66 1HA GLY 66 -7.857 -20.318 -6.162 487 H VAL 67 H VAL 67 -9.018 -17.809 -4.259 488 HA VAL 67 HA VAL 67 -9.467 -19.382 -1.862 489 HB VAL 67 HB VAL 67 -7.621 -18.527 -0.586 490 1HG1 VAL 67 1HG1 VAL 67 -7.259 -20.546 -1.957 491 2HG1 VAL 67 2HG1 VAL 67 -5.776 -19.653 -1.631 492 3HG1 VAL 67 3HG1 VAL 67 -6.552 -19.527 -3.209 493 1HG2 VAL 67 1HG2 VAL 67 -6.556 -17.161 -3.040 494 2HG2 VAL 67 2HG2 VAL 67 -5.976 -17.030 -1.381 495 3HG2 VAL 67 3HG2 VAL 67 -7.524 -16.322 -1.831 496 H GLN 68 H GLN 68 -8.593 -17.000 -0.212 497 HA GLN 68 HA GLN 68 -10.634 -15.057 -1.010 498 1HB GLN 68 2HB GLN 68 -11.941 -15.752 0.655 499 2HB GLN 68 1HB GLN 68 -10.689 -16.809 1.275 500 1HG GLN 68 2HG GLN 68 -10.994 -15.481 3.069 501 2HG GLN 68 1HG GLN 68 -9.750 -14.541 2.262 502 1HE2 GLN 68 1HE2 GLN 68 -11.300 -13.413 0.251 503 2HE2 GLN 68 2HE2 GLN 68 -12.409 -12.311 0.973 504 H LEU 69 H LEU 69 -9.852 -13.040 -1.059 505 HA LEU 69 HA LEU 69 -7.244 -12.553 0.175 506 1HB LEU 69 2HB LEU 69 -7.451 -11.974 -2.165 507 2HB LEU 69 1HB LEU 69 -8.825 -10.945 -1.825 508 HG LEU 69 HG LEU 69 -7.512 -9.274 -0.868 509 1HD1 LEU 69 1HD1 LEU 69 -6.115 -11.246 0.349 510 2HD1 LEU 69 2HD1 LEU 69 -5.624 -9.562 0.324 511 3HD1 LEU 69 3HD1 LEU 69 -4.948 -10.700 -0.836 512 1HD2 LEU 69 1HD2 LEU 69 -5.973 -8.705 -2.533 513 2HD2 LEU 69 2HD2 LEU 69 -7.145 -9.738 -3.353 514 3HD2 LEU 69 3HD2 LEU 69 -5.584 -10.393 -2.858 515 H VAL 70 H VAL 70 -6.921 -11.110 1.812 516 HA VAL 70 HA VAL 70 -9.116 -9.375 2.617 517 HB VAL 70 HB VAL 70 -9.500 -10.272 4.655 518 1HG1 VAL 70 1HG1 VAL 70 -8.388 -12.504 3.025 519 2HG1 VAL 70 2HG1 VAL 70 -10.048 -12.196 3.535 520 3HG1 VAL 70 3HG1 VAL 70 -8.866 -12.805 4.693 521 1HG2 VAL 70 1HG2 VAL 70 -7.841 -11.321 6.109 522 2HG2 VAL 70 2HG2 VAL 70 -7.281 -9.749 5.543 523 3HG2 VAL 70 3HG2 VAL 70 -6.642 -11.223 4.820 524 H ILE 71 H ILE 71 -8.290 -7.367 2.709 525 HA ILE 71 HA ILE 71 -5.479 -7.113 3.545 526 HB ILE 71 HB ILE 71 -5.146 -5.281 2.167 527 1HG1 ILE 71 2HG1 ILE 71 -7.100 -3.963 2.764 528 2HG1 ILE 71 1HG1 ILE 71 -6.947 -4.049 1.014 529 1HG2 ILE 71 1HG2 ILE 71 -5.731 -7.575 1.053 530 2HG2 ILE 71 2HG2 ILE 71 -5.436 -6.141 0.069 531 3HG2 ILE 71 3HG2 ILE 71 -7.089 -6.665 0.389 532 1HD1 ILE 71 1HD1 ILE 71 -9.178 -4.423 1.245 533 2HD1 ILE 71 2HD1 ILE 71 -8.992 -5.233 2.801 534 3HD1 ILE 71 3HD1 ILE 71 -8.583 -6.083 1.310 535 H ASP 72 H ASP 72 -4.849 -5.451 4.879 536 HA ASP 72 HA ASP 72 -6.721 -4.858 6.952 537 1HB ASP 72 2HB ASP 72 -4.844 -3.686 8.033 538 2HB ASP 72 1HB ASP 72 -4.385 -5.296 7.476 539 HA PRO 73 HA PRO 73 -8.641 -1.049 5.902 540 1HB PRO 73 2HB PRO 73 -7.627 -0.172 8.574 541 2HB PRO 73 1HB PRO 73 -9.246 -0.022 7.880 542 1HG PRO 73 2HG PRO 73 -8.709 -1.909 9.676 543 2HG PRO 73 1HG PRO 73 -9.776 -2.239 8.297 544 1HD PRO 73 2HD PRO 73 -6.988 -3.126 8.790 545 2HD PRO 73 1HD PRO 73 -8.277 -3.923 7.879 546 H MET 74 H MET 74 -5.403 -0.873 7.361 547 HA MET 74 HA MET 74 -4.803 1.744 6.677 548 1HB MET 74 2HB MET 74 -3.149 0.975 8.027 549 2HB MET 74 1HB MET 74 -3.287 -0.667 7.421 550 1HG MET 74 2HG MET 74 -1.705 -0.361 5.829 551 2HG MET 74 1HG MET 74 -2.058 1.354 5.630 552 1HE MET 74 1HE MET 74 -0.385 2.982 8.667 553 2HE MET 74 2HE MET 74 -1.900 2.873 7.771 554 3HE MET 74 3HE MET 74 -0.407 3.296 6.932 555 H SER 75 H SER 75 -4.431 -1.233 4.839 556 HA SER 75 HA SER 75 -3.350 0.115 2.548 557 1HB SER 75 2HB SER 75 -4.615 -2.620 2.488 558 2HB SER 75 1HB SER 75 -3.287 -1.998 1.508 559 HG SER 75 HG SER 75 -2.047 -2.875 2.948 560 H LEU 76 H LEU 76 -6.510 -0.845 3.697 561 HA LEU 76 HA LEU 76 -8.093 -0.898 1.512 562 1HB LEU 76 2HB LEU 76 -9.441 -1.155 3.261 563 2HB LEU 76 1HB LEU 76 -8.454 -0.143 4.286 564 HG LEU 76 HG LEU 76 -10.324 1.063 2.264 565 1HD1 LEU 76 1HD1 LEU 76 -11.732 -0.347 3.552 566 2HD1 LEU 76 2HD1 LEU 76 -11.898 1.283 4.200 567 3HD1 LEU 76 3HD1 LEU 76 -10.899 0.098 5.039 568 1HD2 LEU 76 1HD2 LEU 76 -10.191 2.611 4.545 569 2HD2 LEU 76 2HD2 LEU 76 -9.305 2.891 3.050 570 3HD2 LEU 76 3HD2 LEU 76 -8.556 1.990 4.367 571 H GLN 77 H GLN 77 -6.910 2.058 3.048 572 HA GLN 77 HA GLN 77 -8.191 3.680 1.058 573 1HB GLN 77 2HB GLN 77 -7.905 5.432 2.440 574 2HB GLN 77 1HB GLN 77 -7.622 4.177 3.632 575 1HG GLN 77 2HG GLN 77 -5.158 4.842 2.316 576 2HG GLN 77 1HG GLN 77 -5.940 6.299 2.921 577 1HE2 GLN 77 1HE2 GLN 77 -5.721 2.968 4.080 578 2HE2 GLN 77 2HE2 GLN 77 -5.110 3.365 5.640 579 H TYR 78 H TYR 78 -5.126 2.180 1.460 580 HA TYR 78 HA TYR 78 -3.725 3.976 -0.298 581 1HB TYR 78 2HB TYR 78 -3.015 1.334 0.958 582 2HB TYR 78 1HB TYR 78 -1.957 2.133 -0.203 583 HD1 TYR 78 1HD TYR 78 -3.947 3.354 2.720 584 HD2 TYR 78 2HD TYR 78 -0.134 3.028 0.870 585 HE1 TYR 78 1HE TYR 78 -2.952 4.639 4.562 586 HE2 TYR 78 2HE TYR 78 0.873 4.319 2.702 587 HH TYR 78 HH TYR 78 -0.755 4.961 5.610 588 H LEU 79 H LEU 79 -5.185 0.779 -0.493 589 HA LEU 79 HA LEU 79 -4.397 0.524 -3.274 590 1HB LEU 79 2HB LEU 79 -5.208 -1.732 -3.185 591 2HB LEU 79 1HB LEU 79 -4.132 -1.402 -1.860 592 HG LEU 79 HG LEU 79 -6.502 -2.741 -1.698 593 1HD1 LEU 79 1HD1 LEU 79 -4.661 -1.434 0.194 594 2HD1 LEU 79 2HD1 LEU 79 -5.097 -3.136 0.015 595 3HD1 LEU 79 3HD1 LEU 79 -6.195 -2.023 0.828 596 1HD2 LEU 79 1HD2 LEU 79 -8.006 -1.369 -0.335 597 2HD2 LEU 79 2HD2 LEU 79 -7.876 -0.771 -1.985 598 3HD2 LEU 79 3HD2 LEU 79 -7.016 0.047 -0.679 599 H ILE 80 H ILE 80 -7.116 1.639 -1.608 600 HA ILE 80 HA ILE 80 -9.418 1.127 -2.560 601 HB ILE 80 HB ILE 80 -10.078 3.402 -2.915 602 1HG1 ILE 80 2HG1 ILE 80 -8.409 4.194 -4.431 603 2HG1 ILE 80 1HG1 ILE 80 -8.343 5.217 -2.999 604 1HG2 ILE 80 1HG2 ILE 80 -9.691 2.835 -0.637 605 2HG2 ILE 80 2HG2 ILE 80 -9.094 4.473 -0.902 606 3HG2 ILE 80 3HG2 ILE 80 -7.962 3.127 -0.805 607 1HD1 ILE 80 1HD1 ILE 80 -6.117 4.803 -3.570 608 2HD1 ILE 80 2HD1 ILE 80 -6.425 3.092 -3.874 609 3HD1 ILE 80 3HD1 ILE 80 -6.447 3.712 -2.224 610 H GLY 81 H GLY 81 -10.375 0.433 -4.255 611 1HA GLY 81 2HA GLY 81 -10.643 -0.322 -6.420 612 2HA GLY 81 1HA GLY 81 -10.863 1.405 -6.651 613 H GLY 82 H GLY 82 -7.720 -0.067 -5.930 614 1HA GLY 82 2HA GLY 82 -6.721 1.042 -8.433 615 2HA GLY 82 1HA GLY 82 -5.756 0.282 -7.169 616 H THR 83 H THR 83 -4.623 -1.016 -8.679 617 HA THR 83 HA THR 83 -6.061 -3.437 -9.387 618 HB THR 83 HB THR 83 -4.730 -1.693 -11.456 619 HG1 THR 83 1HG THR 83 -6.980 -1.389 -11.030 620 1HG2 THR 83 1HG2 THR 83 -4.063 -3.506 -12.540 621 2HG2 THR 83 2HG2 THR 83 -5.766 -3.922 -12.743 622 3HG2 THR 83 3HG2 THR 83 -4.856 -4.569 -11.374 623 H VAL 84 H VAL 84 -4.818 -5.186 -9.053 624 HA VAL 84 HA VAL 84 -1.903 -4.793 -8.935 625 HB VAL 84 HB VAL 84 -1.851 -5.355 -6.801 626 1HG1 VAL 84 1HG1 VAL 84 -4.213 -4.500 -6.754 627 2HG1 VAL 84 2HG1 VAL 84 -3.741 -5.564 -5.434 628 3HG1 VAL 84 3HG1 VAL 84 -4.728 -6.185 -6.755 629 1HG2 VAL 84 1HG2 VAL 84 -1.365 -7.574 -7.398 630 2HG2 VAL 84 2HG2 VAL 84 -3.056 -7.932 -7.748 631 3HG2 VAL 84 3HG2 VAL 84 -2.536 -7.668 -6.086 632 H ASP 85 H ASP 85 -0.594 -6.573 -9.418 633 HA ASP 85 HA ASP 85 -1.811 -8.973 -10.453 634 1HB ASP 85 2HB ASP 85 -0.376 -8.694 -12.614 635 2HB ASP 85 1HB ASP 85 -1.943 -7.890 -12.506 636 H TYR 86 H TYR 86 -0.423 -10.722 -10.454 637 HA TYR 86 HA TYR 86 2.257 -10.191 -9.359 638 1HB TYR 86 2HB TYR 86 0.162 -11.691 -8.285 639 2HB TYR 86 1HB TYR 86 1.297 -12.884 -8.899 640 HD1 TYR 86 1HD TYR 86 3.890 -11.826 -8.371 641 HD2 TYR 86 2HD TYR 86 0.370 -11.490 -6.014 642 HE1 TYR 86 1HE TYR 86 5.277 -11.552 -6.364 643 HE2 TYR 86 2HE TYR 86 1.745 -11.207 -3.987 644 HH TYR 86 HH TYR 86 4.638 -10.286 -3.847 645 H THR 87 H THR 87 3.990 -11.278 -10.189 646 HA THR 87 HA THR 87 3.583 -13.304 -12.214 647 HB THR 87 HB THR 87 5.035 -10.732 -12.823 648 HG1 THR 87 1HG THR 87 2.750 -11.848 -14.064 649 1HG2 THR 87 1HG2 THR 87 5.686 -11.548 -14.872 650 2HG2 THR 87 2HG2 THR 87 4.515 -12.866 -14.836 651 3HG2 THR 87 3HG2 THR 87 5.953 -12.937 -13.817 652 H GLU 88 H GLU 88 4.618 -14.698 -10.794 653 HA GLU 88 HA GLU 88 7.328 -14.086 -9.924 654 1HB GLU 88 2HB GLU 88 5.767 -16.632 -9.482 655 2HB GLU 88 1HB GLU 88 7.189 -16.085 -8.604 656 1HG GLU 88 2HG GLU 88 5.872 -14.176 -7.749 657 2HG GLU 88 1HG GLU 88 4.450 -14.845 -8.547 658 H GLY 89 H GLY 89 9.026 -15.764 -10.197 659 1HA GLY 89 2HA GLY 89 9.019 -17.815 -12.037 660 2HA GLY 89 1HA GLY 89 9.339 -16.359 -12.976 661 H LEU 90 H LEU 90 11.432 -16.715 -13.528 662 HA LEU 90 HA LEU 90 13.384 -17.674 -11.672 663 1HB LEU 90 2HB LEU 90 13.353 -16.781 -14.497 664 2HB LEU 90 1HB LEU 90 14.890 -16.650 -13.654 665 HG LEU 90 HG LEU 90 14.964 -19.003 -13.246 666 1HD1 LEU 90 1HD1 LEU 90 12.834 -19.678 -12.678 667 2HD1 LEU 90 2HD1 LEU 90 13.035 -20.402 -14.275 668 3HD1 LEU 90 3HD1 LEU 90 12.100 -18.920 -14.089 669 1HD2 LEU 90 1HD2 LEU 90 14.726 -19.898 -15.604 670 2HD2 LEU 90 2HD2 LEU 90 15.772 -18.493 -15.401 671 3HD2 LEU 90 3HD2 LEU 90 14.144 -18.293 -16.049 672 H GLU 91 H GLU 91 12.740 -14.521 -13.175 673 HA GLU 91 HA GLU 91 14.795 -13.087 -11.946 674 1HB GLU 91 2HB GLU 91 12.056 -12.063 -12.713 675 2HB GLU 91 1HB GLU 91 13.499 -11.084 -12.460 676 1HG GLU 91 2HG GLU 91 13.204 -13.187 -14.593 677 2HG GLU 91 1HG GLU 91 12.958 -11.458 -14.838 678 H GLY 92 H GLY 92 11.865 -14.342 -10.647 679 1HA GLY 92 2HA GLY 92 11.852 -14.528 -8.189 680 2HA GLY 92 1HA GLY 92 12.367 -12.844 -8.148 681 H SER 93 H SER 93 10.063 -14.003 -6.863 682 HA SER 93 HA SER 93 7.674 -13.542 -8.228 683 1HB SER 93 2HB SER 93 6.639 -13.405 -5.985 684 2HB SER 93 1HB SER 93 7.743 -14.773 -6.123 685 HG SER 93 HG SER 93 7.977 -13.508 -4.171 686 H ARG 94 H ARG 94 7.811 -11.635 -9.403 687 HA ARG 94 HA ARG 94 8.251 -9.129 -8.023 688 1HB ARG 94 2HB ARG 94 9.110 -8.738 -10.068 689 2HB ARG 94 1HB ARG 94 8.219 -10.066 -10.791 690 1HG ARG 94 2HG ARG 94 6.722 -7.580 -10.140 691 2HG ARG 94 1HG ARG 94 7.836 -7.558 -11.512 692 1HD ARG 94 2HD ARG 94 5.976 -9.863 -11.299 693 2HD ARG 94 1HD ARG 94 5.288 -8.301 -11.750 694 HE ARG 94 HE ARG 94 6.790 -10.007 -13.413 695 1HH1 ARG 94 1HH1 ARG 94 6.419 -6.623 -12.645 696 2HH1 ARG 94 2HH1 ARG 94 6.936 -6.084 -14.208 697 1HH2 ARG 94 1HH2 ARG 94 7.470 -9.300 -15.467 698 2HH2 ARG 94 2HH2 ARG 94 7.532 -7.603 -15.810 699 H PHE 95 H PHE 95 6.719 -7.642 -7.500 700 HA PHE 95 HA PHE 95 3.925 -8.312 -8.130 701 1HB PHE 95 2HB PHE 95 4.707 -8.851 -5.737 702 2HB PHE 95 1HB PHE 95 4.751 -7.107 -5.497 703 HD1 PHE 95 1HD PHE 95 3.019 -6.718 -3.993 704 HD2 PHE 95 2HD PHE 95 2.305 -9.112 -7.439 705 HE1 PHE 95 1HE PHE 95 0.616 -6.732 -3.479 706 HE2 PHE 95 2HE PHE 95 -0.100 -9.124 -6.937 707 HZ PHE 95 HZ PHE 95 -0.947 -7.931 -4.961 708 H THR 96 H THR 96 2.731 -6.690 -8.910 709 HA THR 96 HA THR 96 3.639 -3.931 -8.471 710 HB THR 96 HB THR 96 2.545 -4.555 -11.152 711 HG1 THR 96 1HG THR 96 4.073 -5.882 -11.638 712 1HG2 THR 96 1HG2 THR 96 3.107 -2.371 -11.145 713 2HG2 THR 96 2HG2 THR 96 4.662 -3.045 -11.636 714 3HG2 THR 96 3HG2 THR 96 4.391 -2.588 -9.954 715 H VAL 97 H VAL 97 2.069 -2.510 -8.067 716 HA VAL 97 HA VAL 97 -0.713 -3.261 -8.635 717 HB VAL 97 HB VAL 97 -0.037 -1.859 -6.069 718 1HG1 VAL 97 1HG1 VAL 97 -2.404 -2.799 -7.363 719 2HG1 VAL 97 2HG1 VAL 97 -2.248 -1.890 -5.861 720 3HG1 VAL 97 3HG1 VAL 97 -2.198 -3.654 -5.836 721 1HG2 VAL 97 1HG2 VAL 97 -0.499 -4.457 -5.307 722 2HG2 VAL 97 2HG2 VAL 97 1.076 -3.663 -5.351 723 3HG2 VAL 97 3HG2 VAL 97 0.543 -4.643 -6.714 724 H ASN 98 H ASN 98 -2.181 -1.418 -8.731 725 HA ASN 98 HA ASN 98 -0.822 1.162 -9.094 726 1HB ASN 98 2HB ASN 98 -2.830 -0.034 -11.016 727 2HB ASN 98 1HB ASN 98 -2.114 1.575 -11.142 728 1HD2 ASN 98 1HD2 ASN 98 -1.983 -1.345 -12.455 729 2HD2 ASN 98 2HD2 ASN 98 -0.320 -1.431 -12.900 730 H ASN 99 H ASN 99 -2.138 3.013 -8.875 731 HA ASN 99 HA ASN 99 -4.861 3.090 -8.384 732 1HB ASN 99 2HB ASN 99 -4.551 3.521 -5.773 733 2HB ASN 99 1HB ASN 99 -4.880 1.912 -6.414 734 1HD2 ASN 99 1HD2 ASN 99 -3.820 0.573 -5.150 735 2HD2 ASN 99 2HD2 ASN 99 -2.150 0.686 -4.732 736 HA PRO 100 HA PRO 100 -4.449 7.454 -8.407 737 1HB PRO 100 2HB PRO 100 -5.427 8.163 -5.844 738 2HB PRO 100 1HB PRO 100 -6.334 8.112 -7.360 739 1HG PRO 100 2HG PRO 100 -6.174 6.104 -5.181 740 2HG PRO 100 1HG PRO 100 -7.510 6.465 -6.288 741 1HD PRO 100 2HD PRO 100 -6.021 4.257 -6.564 742 2HD PRO 100 1HD PRO 100 -6.631 5.136 -7.976 743 H ASN 101 H ASN 101 -3.402 5.972 -5.366 744 HA ASN 101 HA ASN 101 -1.624 8.137 -4.739 745 1HB ASN 101 2HB ASN 101 -1.522 7.203 -2.695 746 2HB ASN 101 1HB ASN 101 -2.802 6.134 -3.264 747 1HD2 ASN 101 1HD2 ASN 101 -2.203 4.054 -4.072 748 2HD2 ASN 101 2HD2 ASN 101 -0.753 3.290 -3.513 749 H ALA 102 H ALA 102 -1.203 4.796 -5.897 750 HA ALA 102 HA ALA 102 1.631 5.000 -6.103 751 1HB ALA 102 1HB ALA 102 -0.264 3.037 -7.385 752 2HB ALA 102 2HB ALA 102 0.554 2.842 -5.835 753 3HB ALA 102 3HB ALA 102 1.491 2.879 -7.327 754 H THR 103 H THR 103 -0.570 4.333 -8.805 755 HA THR 103 HA THR 103 -0.452 4.898 -11.011 756 HB THR 103 HB THR 103 0.041 7.435 -11.335 757 HG1 THR 103 1HG THR 103 1.057 7.629 -9.249 758 1HG2 THR 103 1HG2 THR 103 -2.174 7.244 -11.496 759 2HG2 THR 103 2HG2 THR 103 -2.182 7.849 -9.840 760 3HG2 THR 103 3HG2 THR 103 -2.277 6.115 -10.146 761 H SER 104 H SER 104 1.870 3.657 -10.107 762 HA SER 104 HA SER 104 4.198 5.104 -10.926 763 1HB SER 104 2HB SER 104 4.341 3.325 -9.244 764 2HB SER 104 1HB SER 104 3.811 2.141 -10.438 765 HG SER 104 HG SER 104 5.844 1.959 -10.905 766 H THR 105 H THR 105 2.209 2.550 -12.370 767 HA THR 105 HA THR 105 2.036 1.756 -14.494 768 HB THR 105 HB THR 105 2.008 3.337 -16.246 769 HG1 THR 105 1HG THR 105 4.024 4.211 -16.166 770 1HG2 THR 105 1HG2 THR 105 0.362 4.509 -15.366 771 2HG2 THR 105 2HG2 THR 105 1.534 5.553 -14.561 772 3HG2 THR 105 3HG2 THR 105 0.928 4.112 -13.744 773 H CYS 106 H CYS 106 3.499 2.027 -16.784 774 HA CYS 106 HA CYS 106 6.019 0.768 -15.999 775 1HB CYS 106 2HB CYS 106 4.424 0.789 -18.555 776 2HB CYS 106 1HB CYS 106 6.081 0.196 -18.504 777 HG CYS 106 HG CYS 106 3.638 -1.203 -17.240 778 H GLY 107 H GLY 107 5.952 3.524 -15.629 779 1HA GLY 107 2HA GLY 107 7.276 5.361 -16.021 780 2HA GLY 107 1HA GLY 107 8.274 4.321 -17.034 781 H CYS 108 H CYS 108 4.961 4.469 -17.913 782 HA CYS 108 HA CYS 108 5.643 6.318 -20.104 783 1HB CYS 108 2HB CYS 108 3.881 5.125 -21.413 784 2HB CYS 108 1HB CYS 108 5.249 4.106 -20.978 785 HG CYS 108 HG CYS 108 3.166 2.715 -20.477 786 H GLY 109 H GLY 109 3.450 7.172 -21.122 787 1HA GLY 109 2HA GLY 109 1.147 7.582 -19.682 788 2HA GLY 109 1HA GLY 109 2.267 8.803 -19.085 789 H SER 110 H SER 110 3.226 10.259 -20.704 790 HA SER 110 HA SER 110 1.231 10.931 -22.740 791 1HB SER 110 2HB SER 110 2.153 13.155 -22.723 792 2HB SER 110 1HB SER 110 1.935 12.653 -21.047 793 HG SER 110 HG SER 110 4.225 11.995 -21.182 794 H SER 111 H SER 111 3.111 8.762 -23.141 795 HA SER 111 HA SER 111 4.858 9.849 -25.234 796 1HB SER 111 2HB SER 111 4.922 7.365 -23.568 797 2HB SER 111 1HB SER 111 5.718 7.366 -25.141 798 HG SER 111 HG SER 111 7.279 8.107 -23.866 799 H PHE 112 H PHE 112 2.147 9.764 -25.770 800 HA PHE 112 HA PHE 112 1.329 7.420 -27.134 801 1HB PHE 112 2HB PHE 112 0.355 10.237 -27.631 802 2HB PHE 112 1HB PHE 112 -0.502 8.739 -27.976 803 HD1 PHE 112 1HD PHE 112 0.206 11.266 -25.530 804 HD2 PHE 112 2HD PHE 112 -1.251 7.302 -26.054 805 HE1 PHE 112 1HE PHE 112 -0.839 11.360 -23.304 806 HE2 PHE 112 2HE PHE 112 -2.300 7.390 -23.830 807 HZ PHE 112 HZ PHE 112 -2.094 9.420 -22.452 808 H SER 113 H SER 113 0.449 8.116 -29.581 809 HA SER 113 HA SER 113 2.681 9.201 -31.103 810 1HB SER 113 2HB SER 113 1.627 6.391 -31.488 811 2HB SER 113 1HB SER 113 2.675 7.227 -32.636 812 HG SER 113 HG SER 113 3.259 6.421 -29.987 813 H ILE 114 H ILE 114 2.135 9.544 -33.369 814 HA ILE 114 HA ILE 114 -0.198 10.922 -33.759 815 HB ILE 114 HB ILE 114 0.256 10.909 -36.110 816 1HG1 ILE 114 2HG1 ILE 114 0.621 8.452 -36.336 817 2HG1 ILE 114 1HG1 ILE 114 1.829 9.413 -37.180 818 1HG2 ILE 114 1HG2 ILE 114 2.455 11.776 -36.128 819 2HG2 ILE 114 2HG2 ILE 114 2.934 10.778 -34.755 820 3HG2 ILE 114 3HG2 ILE 114 1.801 12.109 -34.525 821 1HD1 ILE 114 1HD1 ILE 114 2.111 7.771 -34.707 822 2HD1 ILE 114 2HD1 ILE 114 3.223 9.101 -35.027 823 3HD1 ILE 114 3HD1 ILE 114 3.089 7.769 -36.174 Start of MODEL 13 1 1H MET 1 1HT MET 1 -21.946 -17.463 -6.758 2 2H MET 1 2HT MET 1 -22.325 -18.631 -5.554 3 3H MET 1 3HT MET 1 -20.874 -18.770 -6.464 4 HA MET 1 HA MET 1 -20.590 -17.930 -4.195 5 1HB MET 1 2HB MET 1 -19.547 -17.020 -6.709 6 2HB MET 1 1HB MET 1 -19.547 -15.679 -5.567 7 1HG MET 1 2HG MET 1 -17.588 -16.497 -4.894 8 2HG MET 1 1HG MET 1 -18.549 -17.721 -4.053 9 1HE MET 1 1HE MET 1 -18.081 -20.588 -4.836 10 2HE MET 1 2HE MET 1 -18.682 -20.610 -6.495 11 3HE MET 1 3HE MET 1 -19.512 -19.650 -5.263 12 H ILE 2 H ILE 2 -20.141 -15.307 -3.641 13 HA ILE 2 HA ILE 2 -22.857 -14.312 -3.251 14 HB ILE 2 HB ILE 2 -20.732 -12.828 -1.900 15 1HG1 ILE 2 2HG1 ILE 2 -19.635 -14.999 -1.801 16 2HG1 ILE 2 1HG1 ILE 2 -20.281 -14.578 -0.210 17 1HG2 ILE 2 1HG2 ILE 2 -23.445 -13.805 -1.413 18 2HG2 ILE 2 2HG2 ILE 2 -22.662 -12.311 -0.897 19 3HG2 ILE 2 3HG2 ILE 2 -22.411 -13.800 0.015 20 1HD1 ILE 2 1HD1 ILE 2 -20.994 -16.704 -0.287 21 2HD1 ILE 2 2HD1 ILE 2 -21.036 -16.749 -2.053 22 3HD1 ILE 2 3HD1 ILE 2 -22.348 -15.976 -1.151 23 H ASP 3 H ASP 3 -22.190 -11.651 -2.698 24 HA ASP 3 HA ASP 3 -21.150 -10.612 -5.236 25 1HB ASP 3 2HB ASP 3 -23.913 -10.490 -4.310 26 2HB ASP 3 1HB ASP 3 -23.247 -8.887 -4.612 27 H ASP 4 H ASP 4 -22.033 -10.023 -1.882 28 HA ASP 4 HA ASP 4 -21.342 -7.441 -1.430 29 1HB ASP 4 2HB ASP 4 -22.085 -9.191 0.259 30 2HB ASP 4 1HB ASP 4 -20.394 -9.673 0.361 31 H MET 5 H MET 5 -19.122 -10.155 -1.769 32 HA MET 5 HA MET 5 -16.730 -9.042 -1.071 33 1HB MET 5 2HB MET 5 -17.442 -11.006 -3.222 34 2HB MET 5 1HB MET 5 -15.770 -10.496 -2.997 35 1HG MET 5 2HG MET 5 -17.507 -11.759 -0.885 36 2HG MET 5 1HG MET 5 -16.284 -12.596 -1.843 37 1HE MET 5 1HE MET 5 -15.935 -9.119 0.808 38 2HE MET 5 2HE MET 5 -16.095 -10.471 1.928 39 3HE MET 5 3HE MET 5 -17.303 -10.223 0.664 40 H ALA 6 H ALA 6 -14.889 -8.504 -2.684 41 HA ALA 6 HA ALA 6 -13.986 -7.100 -4.244 42 1HB ALA 6 1HB ALA 6 -15.984 -8.063 -5.641 43 2HB ALA 6 2HB ALA 6 -15.085 -6.660 -6.211 44 3HB ALA 6 3HB ALA 6 -16.642 -6.442 -5.419 45 H VAL 7 H VAL 7 -13.861 -5.954 -2.082 46 HA VAL 7 HA VAL 7 -15.642 -3.697 -1.826 47 HB VAL 7 HB VAL 7 -13.426 -3.696 0.071 48 1HG1 VAL 7 1HG1 VAL 7 -15.652 -2.492 0.173 49 2HG1 VAL 7 2HG1 VAL 7 -15.142 -3.335 1.635 50 3HG1 VAL 7 3HG1 VAL 7 -16.361 -4.052 0.581 51 1HG2 VAL 7 1HG2 VAL 7 -13.381 -6.066 -0.152 52 2HG2 VAL 7 2HG2 VAL 7 -15.139 -6.165 -0.156 53 3HG2 VAL 7 3HG2 VAL 7 -14.280 -5.703 1.314 54 HA PRO 8 HA PRO 8 -11.912 -1.101 -2.808 55 1HB PRO 8 2HB PRO 8 -9.622 -1.491 -1.618 56 2HB PRO 8 1HB PRO 8 -11.075 -1.394 -0.615 57 1HG PRO 8 2HG PRO 8 -9.502 -3.798 -1.429 58 2HG PRO 8 1HG PRO 8 -10.346 -3.474 0.098 59 1HD PRO 8 2HD PRO 8 -11.329 -4.888 -2.218 60 2HD PRO 8 1HD PRO 8 -12.178 -4.572 -0.693 61 H LEU 9 H LEU 9 -8.911 -2.264 -2.833 62 HA LEU 9 HA LEU 9 -8.459 -2.176 -5.563 63 1HB LEU 9 2HB LEU 9 -6.823 -1.835 -3.709 64 2HB LEU 9 1HB LEU 9 -6.814 -3.566 -3.448 65 HG LEU 9 HG LEU 9 -5.026 -3.630 -4.779 66 1HD1 LEU 9 1HD1 LEU 9 -6.447 -4.529 -6.423 67 2HD1 LEU 9 2HD1 LEU 9 -5.390 -3.386 -7.239 68 3HD1 LEU 9 3HD1 LEU 9 -7.049 -2.937 -6.874 69 1HD2 LEU 9 1HD2 LEU 9 -4.501 -1.627 -6.333 70 2HD2 LEU 9 2HD2 LEU 9 -4.339 -1.441 -4.589 71 3HD2 LEU 9 3HD2 LEU 9 -5.764 -0.817 -5.414 72 H THR 10 H THR 10 -8.660 -3.597 -7.167 73 HA THR 10 HA THR 10 -9.247 -6.400 -6.527 74 HB THR 10 HB THR 10 -9.708 -4.759 -9.019 75 HG1 THR 10 1HG THR 10 -11.696 -4.682 -8.346 76 1HG2 THR 10 1HG2 THR 10 -9.695 -6.603 -10.236 77 2HG2 THR 10 2HG2 THR 10 -11.055 -7.188 -9.275 78 3HG2 THR 10 3HG2 THR 10 -9.402 -7.603 -8.812 79 H PHE 11 H PHE 11 -7.685 -7.852 -6.799 80 HA PHE 11 HA PHE 11 -5.214 -7.091 -8.128 81 1HB PHE 11 2HB PHE 11 -4.242 -8.971 -7.055 82 2HB PHE 11 1HB PHE 11 -5.342 -8.272 -5.875 83 HD1 PHE 11 1HD PHE 11 -7.591 -9.345 -5.556 84 HD2 PHE 11 2HD PHE 11 -4.449 -11.111 -7.786 85 HE1 PHE 11 1HE PHE 11 -8.702 -11.536 -5.364 86 HE2 PHE 11 2HE PHE 11 -5.522 -13.300 -7.608 87 HZ PHE 11 HZ PHE 11 -7.666 -13.514 -6.401 88 H THR 12 H THR 12 -4.138 -9.164 -9.272 89 HA THR 12 HA THR 12 -5.849 -9.658 -11.576 90 HB THR 12 HB THR 12 -3.387 -8.982 -11.693 91 HG1 THR 12 1HG THR 12 -3.306 -11.104 -13.281 92 1HG2 THR 12 1HG2 THR 12 -1.724 -10.690 -11.618 93 2HG2 THR 12 2HG2 THR 12 -2.927 -11.912 -11.223 94 3HG2 THR 12 3HG2 THR 12 -2.549 -10.645 -10.061 95 H ASP 13 H ASP 13 -4.703 -12.125 -12.428 96 HA ASP 13 HA ASP 13 -6.230 -13.946 -10.738 97 1HB ASP 13 2HB ASP 13 -6.471 -13.860 -13.272 98 2HB ASP 13 1HB ASP 13 -4.866 -14.584 -13.354 99 H ALA 14 H ALA 14 -2.986 -13.547 -12.023 100 HA ALA 14 HA ALA 14 -1.855 -15.891 -11.017 101 1HB ALA 14 1HB ALA 14 0.280 -14.882 -11.446 102 2HB ALA 14 2HB ALA 14 -0.432 -13.268 -11.432 103 3HB ALA 14 3HB ALA 14 -0.834 -14.396 -12.724 104 H ALA 15 H ALA 15 -2.192 -12.679 -9.527 105 HA ALA 15 HA ALA 15 -0.610 -13.100 -7.276 106 1HB ALA 15 1HB ALA 15 -1.390 -11.104 -6.643 107 2HB ALA 15 2HB ALA 15 -3.055 -11.679 -6.616 108 3HB ALA 15 3HB ALA 15 -2.343 -11.104 -8.129 109 H ALA 16 H ALA 16 -3.769 -14.257 -8.145 110 HA ALA 16 HA ALA 16 -4.457 -15.360 -5.589 111 1HB ALA 16 1HB ALA 16 -6.129 -14.855 -7.367 112 2HB ALA 16 2HB ALA 16 -6.215 -16.514 -6.788 113 3HB ALA 16 3HB ALA 16 -5.429 -16.158 -8.328 114 H ASN 17 H ASN 17 -3.047 -16.497 -8.571 115 HA ASN 17 HA ASN 17 -2.841 -19.205 -8.031 116 1HB ASN 17 2HB ASN 17 -1.255 -17.325 -9.758 117 2HB ASN 17 1HB ASN 17 -0.818 -19.027 -9.644 118 1HD2 ASN 17 1HD2 ASN 17 -3.668 -16.988 -10.163 119 2HD2 ASN 17 2HD2 ASN 17 -4.333 -17.957 -11.427 120 H LYS 18 H LYS 18 -0.527 -16.590 -7.316 121 HA LYS 18 HA LYS 18 1.521 -18.207 -6.312 122 1HB LYS 18 2HB LYS 18 1.908 -15.889 -6.869 123 2HB LYS 18 1HB LYS 18 0.767 -15.369 -5.635 124 1HG LYS 18 2HG LYS 18 2.606 -16.935 -4.265 125 2HG LYS 18 1HG LYS 18 3.572 -16.002 -5.409 126 1HD LYS 18 2HD LYS 18 3.308 -14.840 -3.267 127 2HD LYS 18 1HD LYS 18 2.576 -13.939 -4.601 128 1HE LYS 18 2HE LYS 18 0.565 -15.617 -3.602 129 2HE LYS 18 1HE LYS 18 1.369 -14.936 -2.190 130 1HZ LYS 18 1HZ LYS 18 0.968 -12.741 -2.998 131 2HZ LYS 18 2HZ LYS 18 -0.500 -13.579 -3.029 132 3HZ LYS 18 3HZ LYS 18 0.356 -13.322 -4.465 133 H VAL 19 H VAL 19 -1.418 -17.004 -4.887 134 HA VAL 19 HA VAL 19 -0.736 -17.684 -2.193 135 HB VAL 19 HB VAL 19 -3.439 -17.138 -3.428 136 1HG1 VAL 19 1HG1 VAL 19 -2.635 -17.918 -0.755 137 2HG1 VAL 19 2HG1 VAL 19 -4.243 -17.832 -1.467 138 3HG1 VAL 19 3HG1 VAL 19 -3.512 -16.388 -0.762 139 1HG2 VAL 19 1HG2 VAL 19 -2.798 -15.020 -3.567 140 2HG2 VAL 19 2HG2 VAL 19 -1.237 -15.406 -2.848 141 3HG2 VAL 19 3HG2 VAL 19 -2.604 -14.993 -1.814 142 H LYS 20 H LYS 20 -3.336 -18.928 -4.252 143 HA LYS 20 HA LYS 20 -3.876 -21.236 -2.846 144 1HB LYS 20 2HB LYS 20 -4.653 -22.103 -5.157 145 2HB LYS 20 1HB LYS 20 -5.463 -20.711 -4.441 146 1HG LYS 20 2HG LYS 20 -4.881 -19.382 -6.125 147 2HG LYS 20 1HG LYS 20 -3.208 -19.945 -6.101 148 1HD LYS 20 2HD LYS 20 -4.391 -20.420 -8.239 149 2HD LYS 20 1HD LYS 20 -3.782 -21.867 -7.435 150 1HE LYS 20 2HE LYS 20 -6.166 -21.951 -6.383 151 2HE LYS 20 1HE LYS 20 -6.597 -20.908 -7.737 152 1HZ LYS 20 1HZ LYS 20 -6.588 -22.625 -9.109 153 2HZ LYS 20 2HZ LYS 20 -6.430 -23.643 -7.766 154 3HZ LYS 20 3HZ LYS 20 -5.054 -23.128 -8.603 155 H SER 21 H SER 21 -1.163 -20.577 -4.851 156 HA SER 21 HA SER 21 -0.633 -23.352 -5.371 157 1HB SER 21 2HB SER 21 -0.136 -21.708 -7.113 158 2HB SER 21 1HB SER 21 1.020 -20.916 -6.041 159 HG SER 21 HG SER 21 2.242 -22.264 -7.235 160 H LEU 22 H LEU 22 0.873 -20.763 -3.464 161 HA LEU 22 HA LEU 22 2.854 -22.615 -2.476 162 1HB LEU 22 2HB LEU 22 4.041 -20.825 -1.843 163 2HB LEU 22 1HB LEU 22 2.928 -19.933 -2.857 164 HG LEU 22 HG LEU 22 3.296 -18.799 -0.752 165 1HD1 LEU 22 1HD1 LEU 22 1.228 -18.312 -1.653 166 2HD1 LEU 22 2HD1 LEU 22 0.860 -18.757 0.012 167 3HD1 LEU 22 3HD1 LEU 22 0.584 -19.900 -1.292 168 1HD2 LEU 22 1HD2 LEU 22 3.202 -19.723 1.294 169 2HD2 LEU 22 2HD2 LEU 22 3.439 -21.234 0.415 170 3HD2 LEU 22 3HD2 LEU 22 1.816 -20.732 0.896 171 H ILE 23 H ILE 23 -0.255 -21.455 -1.506 172 HA ILE 23 HA ILE 23 0.005 -22.142 1.243 173 HB ILE 23 HB ILE 23 -2.440 -21.940 1.313 174 1HG1 ILE 23 2HG1 ILE 23 -3.205 -20.802 -1.013 175 2HG1 ILE 23 1HG1 ILE 23 -2.051 -21.987 -1.611 176 1HG2 ILE 23 1HG2 ILE 23 -0.606 -19.867 0.346 177 2HG2 ILE 23 2HG2 ILE 23 -1.650 -19.876 1.761 178 3HG2 ILE 23 3HG2 ILE 23 -2.316 -19.496 0.171 179 1HD1 ILE 23 1HD1 ILE 23 -3.577 -23.571 -1.435 180 2HD1 ILE 23 2HD1 ILE 23 -4.742 -22.378 -0.859 181 3HD1 ILE 23 3HD1 ILE 23 -3.732 -23.252 0.293 182 H SER 24 H SER 24 -1.500 -23.642 -1.577 183 HA SER 24 HA SER 24 -2.397 -25.982 -0.341 184 1HB SER 24 2HB SER 24 -1.770 -25.149 -3.125 185 2HB SER 24 1HB SER 24 -1.851 -26.882 -2.813 186 HG SER 24 HG SER 24 -3.922 -26.573 -3.053 187 H GLU 25 H GLU 25 0.720 -24.866 -1.242 188 HA GLU 25 HA GLU 25 1.992 -27.430 -1.187 189 1HB GLU 25 2HB GLU 25 2.655 -24.994 -2.266 190 2HB GLU 25 1HB GLU 25 3.703 -25.074 -0.859 191 1HG GLU 25 2HG GLU 25 3.861 -27.581 -2.098 192 2HG GLU 25 1HG GLU 25 3.960 -26.378 -3.382 193 H GLU 26 H GLU 26 1.043 -25.030 1.089 194 HA GLU 26 HA GLU 26 2.992 -25.779 3.077 195 1HB GLU 26 2HB GLU 26 0.508 -24.097 3.261 196 2HB GLU 26 1HB GLU 26 1.648 -24.322 4.575 197 1HG GLU 26 2HG GLU 26 2.723 -23.365 1.994 198 2HG GLU 26 1HG GLU 26 1.731 -22.240 2.925 199 H GLU 27 H GLU 27 -0.003 -26.912 1.957 200 HA GLU 27 HA GLU 27 -1.136 -28.816 2.515 201 1HB GLU 27 2HB GLU 27 1.189 -29.330 3.787 202 2HB GLU 27 1HB GLU 27 0.134 -29.142 5.183 203 1HG GLU 27 2HG GLU 27 -1.130 -30.991 4.650 204 2HG GLU 27 1HG GLU 27 -0.712 -30.914 2.941 205 H ASN 28 H ASN 28 -1.282 -25.895 3.663 206 HA ASN 28 HA ASN 28 -2.657 -25.981 6.092 207 1HB ASN 28 2HB ASN 28 -3.643 -24.001 4.100 208 2HB ASN 28 1HB ASN 28 -3.170 -23.764 5.774 209 1HD2 ASN 28 1HD2 ASN 28 -2.360 -23.326 2.588 210 2HD2 ASN 28 2HD2 ASN 28 -0.726 -22.843 2.803 211 H THR 29 H THR 29 -4.187 -25.371 2.953 212 HA THR 29 HA THR 29 -5.952 -27.406 2.710 213 HB THR 29 HB THR 29 -6.849 -27.265 4.866 214 HG1 THR 29 1HG THR 29 -8.625 -25.602 3.440 215 1HG2 THR 29 1HG2 THR 29 -5.982 -24.631 4.834 216 2HG2 THR 29 2HG2 THR 29 -6.816 -25.456 6.154 217 3HG2 THR 29 3HG2 THR 29 -7.736 -24.527 4.982 218 H ASP 30 H ASP 30 -6.128 -23.873 3.009 219 HA ASP 30 HA ASP 30 -6.509 -23.273 0.333 220 1HB ASP 30 2HB ASP 30 -8.961 -24.193 1.685 221 2HB ASP 30 1HB ASP 30 -9.121 -22.628 0.888 222 H LEU 31 H LEU 31 -5.012 -22.005 1.684 223 HA LEU 31 HA LEU 31 -5.755 -20.162 3.592 224 1HB LEU 31 2HB LEU 31 -3.492 -20.861 2.076 225 2HB LEU 31 1HB LEU 31 -3.628 -19.124 2.032 226 HG LEU 31 HG LEU 31 -2.228 -19.704 3.857 227 1HD1 LEU 31 1HD1 LEU 31 -3.341 -18.632 5.635 228 2HD1 LEU 31 2HD1 LEU 31 -4.912 -19.188 5.081 229 3HD1 LEU 31 3HD1 LEU 31 -4.034 -17.969 4.167 230 1HD2 LEU 31 1HD2 LEU 31 -3.764 -22.025 3.965 231 2HD2 LEU 31 2HD2 LEU 31 -4.092 -21.187 5.487 232 3HD2 LEU 31 3HD2 LEU 31 -2.432 -21.578 5.039 233 H LYS 32 H LYS 32 -5.912 -17.946 3.564 234 HA LYS 32 HA LYS 32 -7.050 -16.790 1.107 235 1HB LYS 32 2HB LYS 32 -7.676 -16.116 3.992 236 2HB LYS 32 1HB LYS 32 -8.394 -15.349 2.591 237 1HG LYS 32 2HG LYS 32 -9.809 -17.061 2.208 238 2HG LYS 32 1HG LYS 32 -8.651 -18.280 2.739 239 1HD LYS 32 2HD LYS 32 -10.640 -18.040 4.217 240 2HD LYS 32 1HD LYS 32 -9.103 -17.808 5.040 241 1HE LYS 32 2HE LYS 32 -9.611 -15.267 4.357 242 2HE LYS 32 1HE LYS 32 -11.257 -15.870 4.461 243 1HZ LYS 32 1HZ LYS 32 -9.307 -15.447 6.565 244 2HZ LYS 32 2HZ LYS 32 -10.235 -16.852 6.709 245 3HZ LYS 32 3HZ LYS 32 -10.989 -15.343 6.617 246 H LEU 33 H LEU 33 -5.829 -15.193 0.259 247 HA LEU 33 HA LEU 33 -3.463 -14.305 1.429 248 1HB LEU 33 2HB LEU 33 -4.209 -14.237 -1.020 249 2HB LEU 33 1HB LEU 33 -5.021 -12.743 -0.611 250 HG LEU 33 HG LEU 33 -2.747 -12.524 -1.683 251 1HD1 LEU 33 1HD1 LEU 33 -3.817 -11.135 0.628 252 2HD1 LEU 33 2HD1 LEU 33 -3.149 -10.503 -0.867 253 3HD1 LEU 33 3HD1 LEU 33 -2.074 -10.950 0.456 254 1HD2 LEU 33 1HD2 LEU 33 -0.938 -13.451 -0.797 255 2HD2 LEU 33 2HD2 LEU 33 -2.000 -14.317 0.310 256 3HD2 LEU 33 3HD2 LEU 33 -1.294 -12.774 0.790 257 H ARG 34 H ARG 34 -2.873 -12.412 2.460 258 HA ARG 34 HA ARG 34 -4.990 -10.572 3.253 259 1HB ARG 34 2HB ARG 34 -4.838 -12.148 5.101 260 2HB ARG 34 1HB ARG 34 -3.099 -11.927 5.178 261 1HG ARG 34 2HG ARG 34 -4.521 -9.416 5.419 262 2HG ARG 34 1HG ARG 34 -4.997 -10.578 6.659 263 1HD ARG 34 2HD ARG 34 -2.403 -10.934 6.860 264 2HD ARG 34 1HD ARG 34 -2.341 -9.327 6.138 265 HE ARG 34 HE ARG 34 -4.133 -9.432 8.353 266 1HH1 ARG 34 1HH1 ARG 34 -0.761 -9.198 7.489 267 2HH1 ARG 34 2HH1 ARG 34 -0.316 -8.384 8.952 268 1HH2 ARG 34 1HH2 ARG 34 -3.552 -8.361 10.274 269 2HH2 ARG 34 2HH2 ARG 34 -1.898 -7.912 10.537 270 H VAL 35 H VAL 35 -4.209 -8.929 2.090 271 HA VAL 35 HA VAL 35 -1.443 -8.306 1.883 272 HB VAL 35 HB VAL 35 -3.728 -6.473 1.239 273 1HG1 VAL 35 1HG1 VAL 35 -2.105 -5.731 -0.544 274 2HG1 VAL 35 2HG1 VAL 35 -0.884 -6.689 0.292 275 3HG1 VAL 35 3HG1 VAL 35 -1.656 -5.333 1.115 276 1HG2 VAL 35 1HG2 VAL 35 -4.278 -8.466 0.140 277 2HG2 VAL 35 2HG2 VAL 35 -2.603 -8.773 -0.318 278 3HG2 VAL 35 3HG2 VAL 35 -3.501 -7.458 -1.077 279 H TYR 36 H TYR 36 -0.411 -6.416 2.464 280 HA TYR 36 HA TYR 36 -1.517 -4.778 4.601 281 1HB TYR 36 2HB TYR 36 0.973 -5.049 5.599 282 2HB TYR 36 1HB TYR 36 -0.381 -6.042 6.128 283 HD1 TYR 36 1HD TYR 36 2.922 -6.089 4.921 284 HD2 TYR 36 2HD TYR 36 -0.735 -8.256 4.756 285 HE1 TYR 36 1HE TYR 36 4.159 -8.109 4.262 286 HE2 TYR 36 2HE TYR 36 0.488 -10.280 4.096 287 HH TYR 36 HH TYR 36 3.104 -11.067 4.502 288 H ILE 37 H ILE 37 0.415 -3.064 5.129 289 HA ILE 37 HA ILE 37 0.974 -1.918 2.509 290 HB ILE 37 HB ILE 37 1.096 -0.759 5.284 291 1HG1 ILE 37 2HG1 ILE 37 -1.126 -0.959 4.242 292 2HG1 ILE 37 1HG1 ILE 37 -0.647 0.731 4.409 293 1HG2 ILE 37 1HG2 ILE 37 2.334 0.199 2.770 294 2HG2 ILE 37 2HG2 ILE 37 2.813 0.469 4.448 295 3HG2 ILE 37 3HG2 ILE 37 1.482 1.397 3.751 296 1HD1 ILE 37 1HD1 ILE 37 -1.460 0.752 2.293 297 2HD1 ILE 37 2HD1 ILE 37 -0.993 -0.916 1.973 298 3HD1 ILE 37 3HD1 ILE 37 0.224 0.360 1.954 299 H THR 38 H THR 38 2.791 -2.498 1.568 300 HA THR 38 HA THR 38 5.246 -2.607 3.193 301 HB THR 38 HB THR 38 4.698 -4.239 0.713 302 HG1 THR 38 1HG THR 38 4.666 -5.110 3.409 303 1HG2 THR 38 1HG2 THR 38 7.059 -3.814 2.301 304 2HG2 THR 38 2HG2 THR 38 6.862 -4.678 0.776 305 3HG2 THR 38 3HG2 THR 38 6.576 -5.512 2.305 306 H GLY 39 H GLY 39 3.780 -1.752 0.114 307 1HA GLY 39 2HA GLY 39 4.552 -0.516 -1.671 308 2HA GLY 39 1HA GLY 39 5.060 0.575 -0.388 309 H GLY 40 H GLY 40 6.761 1.211 -1.849 310 1HA GLY 40 2HA GLY 40 9.057 -0.626 -1.657 311 2HA GLY 40 1HA GLY 40 8.673 0.141 -3.194 312 H GLY 41 H GLY 41 8.838 2.468 -3.340 313 1HA GLY 41 2HA GLY 41 10.259 3.813 -1.176 314 2HA GLY 41 1HA GLY 41 11.131 3.633 -2.690 315 H CYS 42 H CYS 42 7.672 4.179 -2.450 316 HA CYS 42 HA CYS 42 8.026 6.976 -3.241 317 1HB CYS 42 2HB CYS 42 6.134 5.150 -4.722 318 2HB CYS 42 1HB CYS 42 6.583 6.801 -5.133 319 HG CYS 42 HG CYS 42 7.831 4.908 -6.598 320 H SER 43 H SER 43 5.717 4.415 -2.406 321 HA SER 43 HA SER 43 4.547 5.864 -0.299 322 1HB SER 43 2HB SER 43 3.280 6.147 -2.982 323 2HB SER 43 1HB SER 43 2.213 5.923 -1.596 324 HG SER 43 HG SER 43 2.539 7.940 -1.162 325 H GLY 44 H GLY 44 3.139 3.785 -2.833 326 1HA GLY 44 2HA GLY 44 3.367 1.374 -1.409 327 2HA GLY 44 1HA GLY 44 1.801 2.084 -1.045 328 H PHE 45 H PHE 45 3.809 0.662 -3.526 329 HA PHE 45 HA PHE 45 1.414 0.402 -5.216 330 1HB PHE 45 2HB PHE 45 2.773 0.487 -7.188 331 2HB PHE 45 1HB PHE 45 3.207 1.873 -6.182 332 HD1 PHE 45 1HD PHE 45 5.224 1.467 -4.561 333 HD2 PHE 45 2HD PHE 45 4.442 -0.820 -8.060 334 HE1 PHE 45 1HE PHE 45 7.573 0.761 -4.621 335 HE2 PHE 45 2HE PHE 45 6.797 -1.528 -8.129 336 HZ PHE 45 HZ PHE 45 8.369 -0.736 -6.406 337 H GLN 46 H GLN 46 3.513 -1.288 -3.279 338 HA GLN 46 HA GLN 46 3.292 -3.719 -4.907 339 1HB GLN 46 2HB GLN 46 5.263 -2.753 -2.929 340 2HB GLN 46 1HB GLN 46 4.919 -4.479 -2.906 341 1HG GLN 46 2HG GLN 46 5.586 -4.727 -5.169 342 2HG GLN 46 1HG GLN 46 5.675 -2.981 -5.395 343 1HE2 GLN 46 1HE2 GLN 46 7.158 -1.906 -3.716 344 2HE2 GLN 46 2HE2 GLN 46 8.705 -2.653 -3.503 345 H TYR 47 H TYR 47 3.267 -2.948 -1.422 346 HA TYR 47 HA TYR 47 1.869 -3.620 0.254 347 1HB TYR 47 2HB TYR 47 0.088 -4.727 -1.922 348 2HB TYR 47 1HB TYR 47 -0.357 -4.420 -0.249 349 HD1 TYR 47 1HD TYR 47 -0.783 -2.183 0.541 350 HD2 TYR 47 2HD TYR 47 0.342 -2.884 -3.496 351 HE1 TYR 47 1HE TYR 47 -1.486 0.101 -0.042 352 HE2 TYR 47 2HE TYR 47 -0.357 -0.602 -4.096 353 HH TYR 47 HH TYR 47 -2.313 1.208 -2.451 354 H GLY 48 H GLY 48 2.638 -5.160 1.481 355 1HA GLY 48 2HA GLY 48 3.659 -7.608 0.449 356 2HA GLY 48 1HA GLY 48 3.516 -7.184 2.144 357 H PHE 49 H PHE 49 2.756 -9.522 0.182 358 HA PHE 49 HA PHE 49 0.004 -9.912 1.105 359 1HB PHE 49 2HB PHE 49 1.596 -10.942 -1.199 360 2HB PHE 49 1HB PHE 49 0.244 -11.895 -0.604 361 HD1 PHE 49 1HD PHE 49 -1.240 -11.715 -2.390 362 HD2 PHE 49 2HD PHE 49 0.476 -8.215 -0.703 363 HE1 PHE 49 1HE PHE 49 -2.813 -10.335 -3.677 364 HE2 PHE 49 2HE PHE 49 -1.075 -6.819 -1.983 365 HZ PHE 49 HZ PHE 49 -2.730 -7.878 -3.482 366 H THR 50 H THR 50 -0.559 -11.492 2.449 367 HA THR 50 HA THR 50 1.392 -13.607 3.065 368 HB THR 50 HB THR 50 1.274 -11.789 4.865 369 HG1 THR 50 1HG THR 50 1.248 -13.379 6.514 370 1HG2 THR 50 1HG2 THR 50 -0.541 -11.514 6.204 371 2HG2 THR 50 2HG2 THR 50 -1.176 -13.128 5.864 372 3HG2 THR 50 3HG2 THR 50 -1.340 -11.844 4.675 373 H PHE 51 H PHE 51 0.303 -15.521 4.102 374 HA PHE 51 HA PHE 51 -2.359 -15.846 2.933 375 1HB PHE 51 2HB PHE 51 -0.497 -18.105 3.667 376 2HB PHE 51 1HB PHE 51 -1.836 -18.108 2.513 377 HD1 PHE 51 1HD PHE 51 -1.624 -16.754 0.404 378 HD2 PHE 51 2HD PHE 51 1.666 -17.502 2.986 379 HE1 PHE 51 1HE PHE 51 -0.073 -16.068 -1.384 380 HE2 PHE 51 2HE PHE 51 3.229 -16.836 1.209 381 HZ PHE 51 HZ PHE 51 2.361 -16.109 -0.978 382 H ASP 52 H ASP 52 -3.704 -15.282 4.454 383 HA ASP 52 HA ASP 52 -3.507 -16.547 7.105 384 1HB ASP 52 2HB ASP 52 -3.222 -14.220 7.406 385 2HB ASP 52 1HB ASP 52 -4.478 -13.832 6.245 386 H GLU 53 H GLU 53 -4.834 -18.241 7.091 387 HA GLU 53 HA GLU 53 -7.298 -18.288 5.624 388 1HB GLU 53 2HB GLU 53 -5.514 -20.193 6.623 389 2HB GLU 53 1HB GLU 53 -7.006 -20.449 7.516 390 1HG GLU 53 2HG GLU 53 -7.503 -20.067 4.704 391 2HG GLU 53 1HG GLU 53 -6.388 -21.394 5.005 392 H LYS 54 H LYS 54 -6.431 -17.485 8.877 393 HA LYS 54 HA LYS 54 -8.706 -18.254 10.236 394 1HB LYS 54 2HB LYS 54 -8.131 -15.959 11.559 395 2HB LYS 54 1HB LYS 54 -7.292 -17.475 11.802 396 1HG LYS 54 2HG LYS 54 -6.165 -15.903 9.644 397 2HG LYS 54 1HG LYS 54 -6.130 -15.079 11.197 398 1HD LYS 54 2HD LYS 54 -5.343 -17.870 11.408 399 2HD LYS 54 1HD LYS 54 -4.320 -16.971 10.286 400 1HE LYS 54 2HE LYS 54 -3.767 -15.366 11.964 401 2HE LYS 54 1HE LYS 54 -4.968 -16.030 13.071 402 1HZ LYS 54 1HZ LYS 54 -2.922 -17.867 12.119 403 2HZ LYS 54 2HZ LYS 54 -3.626 -17.725 13.650 404 3HZ LYS 54 3HZ LYS 54 -2.403 -16.655 13.183 405 H VAL 55 H VAL 55 -8.491 -14.795 10.185 406 HA VAL 55 HA VAL 55 -10.678 -14.370 8.365 407 HB VAL 55 HB VAL 55 -11.336 -13.614 11.183 408 1HG1 VAL 55 1HG1 VAL 55 -12.755 -13.810 8.579 409 2HG1 VAL 55 2HG1 VAL 55 -12.765 -12.521 9.784 410 3HG1 VAL 55 3HG1 VAL 55 -13.681 -14.003 10.071 411 1HG2 VAL 55 1HG2 VAL 55 -12.687 -15.594 11.484 412 2HG2 VAL 55 2HG2 VAL 55 -11.005 -16.041 11.244 413 3HG2 VAL 55 3HG2 VAL 55 -12.157 -16.227 9.929 414 H ASN 56 H ASN 56 -9.495 -12.901 11.367 415 HA ASN 56 HA ASN 56 -8.591 -10.847 11.782 416 1HB ASN 56 2HB ASN 56 -8.358 -10.226 8.863 417 2HB ASN 56 1HB ASN 56 -7.276 -9.782 10.179 418 1HD2 ASN 56 1HD2 ASN 56 -7.063 -12.388 11.311 419 2HD2 ASN 56 2HD2 ASN 56 -6.124 -13.348 10.218 420 H ASP 57 H ASP 57 -10.911 -10.627 12.394 421 HA ASP 57 HA ASP 57 -12.943 -9.637 10.880 422 1HB ASP 57 2HB ASP 57 -12.239 -8.937 13.730 423 2HB ASP 57 1HB ASP 57 -13.761 -8.486 12.972 424 H GLY 58 H GLY 58 -10.150 -7.807 11.997 425 1HA GLY 58 2HA GLY 58 -11.322 -5.329 10.973 426 2HA GLY 58 1HA GLY 58 -9.819 -5.467 11.887 427 H ASP 59 H ASP 59 -10.996 -7.158 8.997 428 HA ASP 59 HA ASP 59 -8.961 -5.876 7.353 429 1HB ASP 59 2HB ASP 59 -8.341 -8.308 8.597 430 2HB ASP 59 1HB ASP 59 -8.846 -8.777 6.980 431 H LEU 60 H LEU 60 -10.196 -5.206 5.660 432 HA LEU 60 HA LEU 60 -12.638 -6.361 4.911 433 1HB LEU 60 2HB LEU 60 -10.858 -4.849 3.015 434 2HB LEU 60 1HB LEU 60 -12.603 -4.953 2.999 435 HG LEU 60 HG LEU 60 -10.827 -3.275 4.713 436 1HD1 LEU 60 1HD1 LEU 60 -11.669 -2.051 2.952 437 2HD1 LEU 60 2HD1 LEU 60 -12.851 -1.727 4.220 438 3HD1 LEU 60 3HD1 LEU 60 -13.216 -2.908 2.963 439 1HD2 LEU 60 1HD2 LEU 60 -12.903 -2.816 6.108 440 2HD2 LEU 60 2HD2 LEU 60 -12.027 -4.312 6.437 441 3HD2 LEU 60 3HD2 LEU 60 -13.513 -4.350 5.489 442 H THR 61 H THR 61 -13.177 -7.724 3.098 443 HA THR 61 HA THR 61 -10.870 -9.231 2.092 444 HB THR 61 HB THR 61 -11.745 -11.276 2.650 445 HG1 THR 61 1HG THR 61 -13.972 -11.579 3.113 446 1HG2 THR 61 1HG2 THR 61 -12.046 -11.285 4.885 447 2HG2 THR 61 2HG2 THR 61 -13.217 -9.970 4.845 448 3HG2 THR 61 3HG2 THR 61 -11.499 -9.618 4.702 449 H ILE 62 H ILE 62 -10.809 -9.838 0.098 450 HA ILE 62 HA ILE 62 -13.142 -9.490 -1.661 451 HB ILE 62 HB ILE 62 -11.048 -9.149 -3.360 452 1HG1 ILE 62 2HG1 ILE 62 -9.494 -9.102 -1.357 453 2HG1 ILE 62 1HG1 ILE 62 -9.365 -7.735 -2.455 454 1HG2 ILE 62 1HG2 ILE 62 -13.201 -7.711 -2.564 455 2HG2 ILE 62 2HG2 ILE 62 -12.044 -7.201 -3.792 456 3HG2 ILE 62 3HG2 ILE 62 -11.881 -6.630 -2.133 457 1HD1 ILE 62 1HD1 ILE 62 -9.624 -6.384 -0.727 458 2HD1 ILE 62 2HD1 ILE 62 -9.888 -7.759 0.346 459 3HD1 ILE 62 3HD1 ILE 62 -11.252 -7.021 -0.494 460 H GLU 63 H GLU 63 -13.619 -11.400 -2.714 461 HA GLU 63 HA GLU 63 -12.177 -13.745 -2.217 462 1HB GLU 63 2HB GLU 63 -14.588 -13.489 -3.004 463 2HB GLU 63 1HB GLU 63 -13.926 -13.363 -4.627 464 1HG GLU 63 2HG GLU 63 -12.759 -15.582 -4.118 465 2HG GLU 63 1HG GLU 63 -13.876 -15.701 -2.760 466 H LYS 64 H LYS 64 -10.918 -15.085 -3.598 467 HA LYS 64 HA LYS 64 -9.481 -13.575 -5.674 468 1HB LYS 64 2HB LYS 64 -8.427 -15.748 -3.856 469 2HB LYS 64 1HB LYS 64 -7.502 -14.947 -5.124 470 1HG LYS 64 2HG LYS 64 -7.913 -12.788 -3.944 471 2HG LYS 64 1HG LYS 64 -8.626 -13.709 -2.627 472 1HD LYS 64 2HD LYS 64 -6.323 -13.178 -2.104 473 2HD LYS 64 1HD LYS 64 -6.485 -14.909 -2.351 474 1HE LYS 64 2HE LYS 64 -5.037 -14.888 -4.029 475 2HE LYS 64 1HE LYS 64 -5.864 -13.549 -4.819 476 1HZ LYS 64 1HZ LYS 64 -4.705 -12.117 -3.079 477 2HZ LYS 64 2HZ LYS 64 -3.762 -12.728 -4.344 478 3HZ LYS 64 3HZ LYS 64 -3.704 -13.455 -2.820 479 H SER 65 H SER 65 -8.332 -15.056 -7.240 480 HA SER 65 HA SER 65 -10.120 -16.371 -8.833 481 1HB SER 65 2HB SER 65 -7.441 -15.762 -8.959 482 2HB SER 65 1HB SER 65 -7.438 -17.533 -8.992 483 HG SER 65 HG SER 65 -7.921 -17.286 -11.020 484 H GLY 66 H GLY 66 -8.060 -17.795 -6.326 485 1HA GLY 66 2HA GLY 66 -9.734 -20.222 -6.500 486 2HA GLY 66 1HA GLY 66 -7.983 -20.353 -6.448 487 H VAL 67 H VAL 67 -9.086 -17.769 -4.574 488 HA VAL 67 HA VAL 67 -9.598 -19.308 -2.173 489 HB VAL 67 HB VAL 67 -7.737 -18.446 -0.892 490 1HG1 VAL 67 1HG1 VAL 67 -7.468 -20.555 -2.179 491 2HG1 VAL 67 2HG1 VAL 67 -5.949 -19.728 -1.853 492 3HG1 VAL 67 3HG1 VAL 67 -6.683 -19.630 -3.455 493 1HG2 VAL 67 1HG2 VAL 67 -6.095 -17.009 -1.697 494 2HG2 VAL 67 2HG2 VAL 67 -7.588 -16.345 -2.358 495 3HG2 VAL 67 3HG2 VAL 67 -6.524 -17.306 -3.382 496 H GLN 68 H GLN 68 -8.674 -16.912 -0.551 497 HA GLN 68 HA GLN 68 -10.594 -14.902 -1.446 498 1HB GLN 68 2HB GLN 68 -12.092 -15.464 0.089 499 2HB GLN 68 1HB GLN 68 -11.035 -16.721 0.702 500 1HG GLN 68 2HG GLN 68 -11.240 -15.553 2.581 501 2HG GLN 68 1HG GLN 68 -9.930 -14.605 1.912 502 1HE2 GLN 68 1HE2 GLN 68 -11.399 -13.240 -0.049 503 2HE2 GLN 68 2HE2 GLN 68 -12.444 -12.128 0.743 504 H LEU 69 H LEU 69 -9.893 -12.864 -1.194 505 HA LEU 69 HA LEU 69 -7.305 -12.490 0.128 506 1HB LEU 69 2HB LEU 69 -7.397 -11.742 -2.155 507 2HB LEU 69 1HB LEU 69 -8.830 -10.801 -1.845 508 HG LEU 69 HG LEU 69 -7.651 -9.104 -0.779 509 1HD1 LEU 69 1HD1 LEU 69 -6.177 -9.654 0.792 510 2HD1 LEU 69 2HD1 LEU 69 -5.000 -9.889 -0.498 511 3HD1 LEU 69 3HD1 LEU 69 -5.936 -11.252 0.093 512 1HD2 LEU 69 1HD2 LEU 69 -5.960 -8.458 -2.302 513 2HD2 LEU 69 2HD2 LEU 69 -7.130 -9.402 -3.225 514 3HD2 LEU 69 3HD2 LEU 69 -5.610 -10.136 -2.715 515 H VAL 70 H VAL 70 -6.997 -11.113 1.830 516 HA VAL 70 HA VAL 70 -9.193 -9.409 2.680 517 HB VAL 70 HB VAL 70 -9.676 -10.419 4.637 518 1HG1 VAL 70 1HG1 VAL 70 -10.083 -12.216 3.164 519 2HG1 VAL 70 2HG1 VAL 70 -9.295 -12.912 4.579 520 3HG1 VAL 70 3HG1 VAL 70 -8.373 -12.644 3.097 521 1HG2 VAL 70 1HG2 VAL 70 -8.049 -11.661 6.048 522 2HG2 VAL 70 2HG2 VAL 70 -7.586 -9.990 5.740 523 3HG2 VAL 70 3HG2 VAL 70 -6.802 -11.298 4.858 524 H ILE 71 H ILE 71 -8.252 -7.465 2.638 525 HA ILE 71 HA ILE 71 -5.488 -7.233 3.585 526 HB ILE 71 HB ILE 71 -5.188 -5.321 2.299 527 1HG1 ILE 71 2HG1 ILE 71 -7.186 -4.086 3.001 528 2HG1 ILE 71 1HG1 ILE 71 -6.994 -4.032 1.254 529 1HG2 ILE 71 1HG2 ILE 71 -5.884 -7.603 1.099 530 2HG2 ILE 71 2HG2 ILE 71 -5.403 -6.158 0.211 531 3HG2 ILE 71 3HG2 ILE 71 -7.113 -6.537 0.416 532 1HD1 ILE 71 1HD1 ILE 71 -9.230 -4.449 1.432 533 2HD1 ILE 71 2HD1 ILE 71 -9.041 -5.418 2.894 534 3HD1 ILE 71 3HD1 ILE 71 -8.599 -6.094 1.327 535 H ASP 72 H ASP 72 -4.871 -5.243 4.728 536 HA ASP 72 HA ASP 72 -6.650 -4.852 6.980 537 1HB ASP 72 2HB ASP 72 -4.310 -5.309 7.423 538 2HB ASP 72 1HB ASP 72 -3.827 -3.917 6.454 539 HA PRO 73 HA PRO 73 -8.599 -1.023 6.030 540 1HB PRO 73 2HB PRO 73 -7.575 -0.224 8.725 541 2HB PRO 73 1HB PRO 73 -9.190 -0.039 8.037 542 1HG PRO 73 2HG PRO 73 -8.699 -1.982 9.774 543 2HG PRO 73 1HG PRO 73 -9.724 -2.279 8.358 544 1HD PRO 73 2HD PRO 73 -6.928 -3.135 8.877 545 2HD PRO 73 1HD PRO 73 -8.202 -3.953 7.956 546 H MET 74 H MET 74 -5.385 -0.814 7.559 547 HA MET 74 HA MET 74 -4.779 1.794 6.875 548 1HB MET 74 2HB MET 74 -3.114 1.037 8.215 549 2HB MET 74 1HB MET 74 -3.265 -0.610 7.630 550 1HG MET 74 2HG MET 74 -1.715 -0.319 5.986 551 2HG MET 74 1HG MET 74 -2.012 1.412 5.844 552 1HE MET 74 1HE MET 74 -1.262 3.099 7.060 553 2HE MET 74 2HE MET 74 0.352 3.143 7.771 554 3HE MET 74 3HE MET 74 -1.058 2.883 8.798 555 H SER 75 H SER 75 -4.415 -1.175 5.031 556 HA SER 75 HA SER 75 -3.320 0.162 2.743 557 1HB SER 75 2HB SER 75 -4.617 -2.541 2.598 558 2HB SER 75 1HB SER 75 -3.196 -1.941 1.744 559 HG SER 75 HG SER 75 -2.903 -3.471 3.595 560 H LEU 76 H LEU 76 -6.493 -0.763 3.893 561 HA LEU 76 HA LEU 76 -8.069 -0.802 1.700 562 1HB LEU 76 2HB LEU 76 -9.442 -1.035 3.431 563 2HB LEU 76 1HB LEU 76 -8.440 -0.057 4.472 564 HG LEU 76 HG LEU 76 -10.271 1.211 2.453 565 1HD1 LEU 76 1HD1 LEU 76 -11.730 -0.158 3.709 566 2HD1 LEU 76 2HD1 LEU 76 -11.834 1.459 4.406 567 3HD1 LEU 76 3HD1 LEU 76 -10.879 0.213 5.206 568 1HD2 LEU 76 1HD2 LEU 76 -10.117 2.738 4.744 569 2HD2 LEU 76 2HD2 LEU 76 -9.213 3.008 3.260 570 3HD2 LEU 76 3HD2 LEU 76 -8.497 2.080 4.577 571 H GLN 77 H GLN 77 -6.868 2.144 3.243 572 HA GLN 77 HA GLN 77 -8.110 3.778 1.238 573 1HB GLN 77 2HB GLN 77 -7.822 5.527 2.619 574 2HB GLN 77 1HB GLN 77 -7.561 4.273 3.816 575 1HG GLN 77 2HG GLN 77 -5.080 4.915 2.520 576 2HG GLN 77 1HG GLN 77 -5.854 6.378 3.121 577 1HE2 GLN 77 1HE2 GLN 77 -5.643 3.038 4.267 578 2HE2 GLN 77 2HE2 GLN 77 -5.050 3.432 5.836 579 H TYR 78 H TYR 78 -5.088 2.220 1.643 580 HA TYR 78 HA TYR 78 -3.642 4.000 -0.101 581 1HB TYR 78 2HB TYR 78 -2.977 1.355 1.175 582 2HB TYR 78 1HB TYR 78 -1.899 2.133 0.017 583 HD1 TYR 78 1HD TYR 78 -3.892 3.413 2.912 584 HD2 TYR 78 2HD TYR 78 -0.067 2.992 1.105 585 HE1 TYR 78 1HE TYR 78 -2.891 4.692 4.753 586 HE2 TYR 78 2HE TYR 78 0.947 4.277 2.936 587 HH TYR 78 HH TYR 78 -0.743 5.019 5.817 588 H LEU 79 H LEU 79 -5.127 0.815 -0.285 589 HA LEU 79 HA LEU 79 -4.334 0.526 -3.055 590 1HB LEU 79 2HB LEU 79 -5.148 -1.723 -2.949 591 2HB LEU 79 1HB LEU 79 -4.095 -1.383 -1.604 592 HG LEU 79 HG LEU 79 -6.482 -2.704 -1.479 593 1HD1 LEU 79 1HD1 LEU 79 -4.648 -1.416 0.427 594 2HD1 LEU 79 2HD1 LEU 79 -5.122 -3.109 0.264 595 3HD1 LEU 79 3HD1 LEU 79 -6.204 -1.960 1.049 596 1HD2 LEU 79 1HD2 LEU 79 -7.987 -1.306 -0.138 597 2HD2 LEU 79 2HD2 LEU 79 -7.838 -0.728 -1.793 598 3HD2 LEU 79 3HD2 LEU 79 -6.981 0.096 -0.489 599 H ILE 80 H ILE 80 -7.049 1.693 -1.423 600 HA ILE 80 HA ILE 80 -9.349 1.177 -2.380 601 HB ILE 80 HB ILE 80 -10.008 3.441 -2.738 602 1HG1 ILE 80 2HG1 ILE 80 -8.319 4.136 -4.335 603 2HG1 ILE 80 1HG1 ILE 80 -8.352 5.266 -2.984 604 1HG2 ILE 80 1HG2 ILE 80 -9.515 2.916 -0.461 605 2HG2 ILE 80 2HG2 ILE 80 -8.978 4.562 -0.790 606 3HG2 ILE 80 3HG2 ILE 80 -7.802 3.251 -0.715 607 1HD1 ILE 80 1HD1 ILE 80 -6.402 4.086 -2.028 608 2HD1 ILE 80 2HD1 ILE 80 -6.082 4.827 -3.596 609 3HD1 ILE 80 3HD1 ILE 80 -6.346 3.089 -3.476 610 H GLY 81 H GLY 81 -10.269 0.421 -4.059 611 1HA GLY 81 2HA GLY 81 -10.497 -0.407 -6.203 612 2HA GLY 81 1HA GLY 81 -10.769 1.305 -6.481 613 H GLY 82 H GLY 82 -7.600 -0.088 -5.715 614 1HA GLY 82 2HA GLY 82 -6.587 1.017 -8.211 615 2HA GLY 82 1HA GLY 82 -5.627 0.266 -6.938 616 H THR 83 H THR 83 -4.466 -1.050 -8.404 617 HA THR 83 HA THR 83 -5.906 -3.457 -9.159 618 HB THR 83 HB THR 83 -4.498 -1.710 -11.174 619 HG1 THR 83 1HG THR 83 -7.107 -2.795 -10.999 620 1HG2 THR 83 1HG2 THR 83 -3.842 -3.512 -12.281 621 2HG2 THR 83 2HG2 THR 83 -5.545 -3.912 -12.508 622 3HG2 THR 83 3HG2 THR 83 -4.656 -4.581 -11.137 623 H VAL 84 H VAL 84 -4.678 -5.243 -8.887 624 HA VAL 84 HA VAL 84 -1.769 -4.866 -8.641 625 HB VAL 84 HB VAL 84 -1.778 -5.504 -6.527 626 1HG1 VAL 84 1HG1 VAL 84 -4.175 -4.650 -6.578 627 2HG1 VAL 84 2HG1 VAL 84 -3.681 -5.649 -5.217 628 3HG1 VAL 84 3HG1 VAL 84 -4.643 -6.347 -6.518 629 1HG2 VAL 84 1HG2 VAL 84 -1.311 -7.711 -7.201 630 2HG2 VAL 84 2HG2 VAL 84 -3.003 -8.031 -7.580 631 3HG2 VAL 84 3HG2 VAL 84 -2.499 -7.827 -5.905 632 H ASP 85 H ASP 85 -0.457 -6.610 -9.193 633 HA ASP 85 HA ASP 85 -1.665 -8.976 -10.316 634 1HB ASP 85 2HB ASP 85 -0.177 -8.602 -12.448 635 2HB ASP 85 1HB ASP 85 -1.778 -7.867 -12.344 636 H TYR 86 H TYR 86 -0.289 -10.718 -10.391 637 HA TYR 86 HA TYR 86 2.400 -10.255 -9.286 638 1HB TYR 86 2HB TYR 86 0.274 -11.758 -8.253 639 2HB TYR 86 1HB TYR 86 1.424 -12.938 -8.863 640 HD1 TYR 86 1HD TYR 86 0.452 -11.455 -5.994 641 HD2 TYR 86 2HD TYR 86 3.996 -11.994 -8.275 642 HE1 TYR 86 1HE TYR 86 1.792 -11.194 -3.950 643 HE2 TYR 86 2HE TYR 86 5.352 -11.744 -6.246 644 HH TYR 86 HH TYR 86 5.022 -12.046 -3.753 645 H THR 87 H THR 87 4.107 -11.316 -10.189 646 HA THR 87 HA THR 87 3.645 -13.332 -12.218 647 HB THR 87 HB THR 87 5.060 -10.749 -12.881 648 HG1 THR 87 1HG THR 87 2.808 -10.548 -12.947 649 1HG2 THR 87 1HG2 THR 87 5.600 -11.555 -14.956 650 2HG2 THR 87 2HG2 THR 87 4.391 -12.838 -14.893 651 3HG2 THR 87 3HG2 THR 87 5.873 -12.975 -13.946 652 H GLU 88 H GLU 88 4.783 -14.722 -10.840 653 HA GLU 88 HA GLU 88 7.587 -14.042 -10.320 654 1HB GLU 88 2HB GLU 88 7.610 -15.820 -8.703 655 2HB GLU 88 1HB GLU 88 6.184 -14.833 -8.422 656 1HG GLU 88 2HG GLU 88 5.380 -16.971 -8.192 657 2HG GLU 88 1HG GLU 88 4.964 -16.584 -9.862 658 H GLY 89 H GLY 89 9.200 -15.808 -10.564 659 1HA GLY 89 2HA GLY 89 9.302 -18.110 -11.762 660 2HA GLY 89 1HA GLY 89 8.734 -17.157 -13.132 661 H LEU 90 H LEU 90 11.426 -18.278 -11.454 662 HA LEU 90 HA LEU 90 13.664 -18.067 -11.768 663 1HB LEU 90 2HB LEU 90 12.541 -17.013 -14.314 664 2HB LEU 90 1HB LEU 90 14.247 -16.736 -13.994 665 HG LEU 90 HG LEU 90 14.657 -19.114 -13.846 666 1HD1 LEU 90 1HD1 LEU 90 12.928 -20.259 -12.973 667 2HD1 LEU 90 2HD1 LEU 90 12.493 -20.484 -14.671 668 3HD1 LEU 90 3HD1 LEU 90 11.716 -19.220 -13.718 669 1HD2 LEU 90 1HD2 LEU 90 14.004 -19.778 -16.160 670 2HD2 LEU 90 2HD2 LEU 90 14.791 -18.204 -16.054 671 3HD2 LEU 90 3HD2 LEU 90 13.042 -18.304 -16.256 672 H GLU 91 H GLU 91 12.744 -14.997 -13.297 673 HA GLU 91 HA GLU 91 14.683 -13.438 -12.126 674 1HB GLU 91 2HB GLU 91 11.917 -12.728 -13.089 675 2HB GLU 91 1HB GLU 91 13.062 -11.510 -12.529 676 1HG GLU 91 2HG GLU 91 14.667 -12.396 -14.255 677 2HG GLU 91 1HG GLU 91 13.324 -13.343 -14.896 678 H GLY 92 H GLY 92 11.741 -14.618 -10.721 679 1HA GLY 92 2HA GLY 92 11.739 -14.730 -8.266 680 2HA GLY 92 1HA GLY 92 12.363 -13.081 -8.272 681 H SER 93 H SER 93 9.888 -14.345 -7.111 682 HA SER 93 HA SER 93 7.620 -13.519 -8.502 683 1HB SER 93 2HB SER 93 6.441 -13.698 -6.365 684 2HB SER 93 1HB SER 93 7.548 -15.053 -6.580 685 HG SER 93 HG SER 93 8.140 -12.707 -5.096 686 H ARG 94 H ARG 94 7.909 -11.496 -9.381 687 HA ARG 94 HA ARG 94 8.363 -9.229 -7.623 688 1HB ARG 94 2HB ARG 94 8.153 -7.890 -9.730 689 2HB ARG 94 1HB ARG 94 9.436 -9.089 -9.761 690 1HG ARG 94 2HG ARG 94 8.421 -9.210 -11.865 691 2HG ARG 94 1HG ARG 94 7.796 -10.601 -10.974 692 1HD ARG 94 2HD ARG 94 5.703 -9.885 -11.215 693 2HD ARG 94 1HD ARG 94 6.115 -8.304 -10.550 694 HE ARG 94 HE ARG 94 5.854 -9.008 -13.332 695 1HH1 ARG 94 1HH1 ARG 94 7.217 -6.743 -11.052 696 2HH1 ARG 94 2HH1 ARG 94 7.344 -5.463 -12.210 697 1HH2 ARG 94 1HH2 ARG 94 6.022 -7.325 -14.855 698 2HH2 ARG 94 2HH2 ARG 94 6.666 -5.792 -14.368 699 H PHE 95 H PHE 95 6.843 -7.651 -7.135 700 HA PHE 95 HA PHE 95 4.069 -8.309 -7.870 701 1HB PHE 95 2HB PHE 95 4.808 -8.787 -5.449 702 2HB PHE 95 1HB PHE 95 4.816 -7.037 -5.249 703 HD1 PHE 95 1HD PHE 95 3.044 -6.650 -3.797 704 HD2 PHE 95 2HD PHE 95 2.454 -9.127 -7.210 705 HE1 PHE 95 1HE PHE 95 0.629 -6.689 -3.346 706 HE2 PHE 95 2HE PHE 95 0.038 -9.166 -6.768 707 HZ PHE 95 HZ PHE 95 -0.877 -7.945 -4.841 708 H THR 96 H THR 96 2.834 -6.712 -8.642 709 HA THR 96 HA THR 96 3.746 -3.941 -8.289 710 HB THR 96 HB THR 96 2.635 -4.606 -10.948 711 HG1 THR 96 1HG THR 96 4.331 -5.681 -11.648 712 1HG2 THR 96 1HG2 THR 96 3.258 -2.423 -10.923 713 2HG2 THR 96 2HG2 THR 96 4.746 -3.162 -11.515 714 3HG2 THR 96 3HG2 THR 96 4.605 -2.703 -9.818 715 H VAL 97 H VAL 97 2.183 -2.518 -7.889 716 HA VAL 97 HA VAL 97 -0.606 -3.261 -8.446 717 HB VAL 97 HB VAL 97 0.075 -1.812 -5.907 718 1HG1 VAL 97 1HG1 VAL 97 -2.239 -1.810 -6.634 719 2HG1 VAL 97 2HG1 VAL 97 -2.059 -2.787 -5.178 720 3HG1 VAL 97 3HG1 VAL 97 -2.217 -3.569 -6.750 721 1HG2 VAL 97 1HG2 VAL 97 -0.424 -4.411 -5.125 722 2HG2 VAL 97 2HG2 VAL 97 1.147 -3.611 -5.123 723 3HG2 VAL 97 3HG2 VAL 97 0.662 -4.597 -6.499 724 H ASN 98 H ASN 98 -2.077 -1.376 -8.458 725 HA ASN 98 HA ASN 98 -0.675 1.154 -8.994 726 1HB ASN 98 2HB ASN 98 -2.782 -0.155 -10.720 727 2HB ASN 98 1HB ASN 98 -2.280 1.529 -10.896 728 1HD2 ASN 98 1HD2 ASN 98 -1.872 -1.425 -12.156 729 2HD2 ASN 98 2HD2 ASN 98 -0.270 -1.281 -12.773 730 H ASN 99 H ASN 99 -1.859 3.051 -8.657 731 HA ASN 99 HA ASN 99 -4.527 3.313 -8.007 732 1HB ASN 99 2HB ASN 99 -4.160 3.631 -5.429 733 2HB ASN 99 1HB ASN 99 -4.469 2.022 -6.082 734 1HD2 ASN 99 1HD2 ASN 99 -3.413 0.795 -4.666 735 2HD2 ASN 99 2HD2 ASN 99 -1.725 0.896 -4.327 736 HA PRO 100 HA PRO 100 -3.502 7.580 -7.987 737 1HB PRO 100 2HB PRO 100 -5.015 8.612 -5.934 738 2HB PRO 100 1HB PRO 100 -5.644 8.216 -7.541 739 1HG PRO 100 2HG PRO 100 -5.766 6.625 -5.009 740 2HG PRO 100 1HG PRO 100 -7.015 6.866 -6.245 741 1HD PRO 100 2HD PRO 100 -5.577 4.604 -6.119 742 2HD PRO 100 1HD PRO 100 -6.081 5.297 -7.673 743 H ASN 101 H ASN 101 -3.557 6.245 -4.690 744 HA ASN 101 HA ASN 101 -1.950 8.209 -3.509 745 1HB ASN 101 2HB ASN 101 -2.041 6.938 -1.615 746 2HB ASN 101 1HB ASN 101 -3.338 6.153 -2.514 747 1HD2 ASN 101 1HD2 ASN 101 -2.432 4.370 -4.033 748 2HD2 ASN 101 2HD2 ASN 101 -1.337 3.262 -3.279 749 H ALA 102 H ALA 102 -1.091 5.242 -5.212 750 HA ALA 102 HA ALA 102 1.748 5.783 -4.769 751 1HB ALA 102 1HB ALA 102 0.851 3.447 -6.369 752 2HB ALA 102 2HB ALA 102 0.521 3.450 -4.637 753 3HB ALA 102 3HB ALA 102 2.180 3.591 -5.220 754 H THR 103 H THR 103 0.014 4.584 -7.638 755 HA THR 103 HA THR 103 1.840 5.974 -9.373 756 HB THR 103 HB THR 103 0.400 5.004 -11.189 757 HG1 THR 103 1HG THR 103 -1.529 4.914 -9.903 758 1HG2 THR 103 1HG2 THR 103 1.441 3.025 -11.115 759 2HG2 THR 103 2HG2 THR 103 0.884 2.671 -9.480 760 3HG2 THR 103 3HG2 THR 103 2.271 3.731 -9.729 761 H SER 104 H SER 104 1.432 7.726 -10.670 762 HA SER 104 HA SER 104 -1.207 8.949 -10.652 763 1HB SER 104 2HB SER 104 1.177 10.604 -9.822 764 2HB SER 104 1HB SER 104 -0.530 11.040 -9.749 765 HG SER 104 HG SER 104 -0.713 10.016 -7.914 766 H THR 105 H THR 105 2.170 9.733 -11.504 767 HA THR 105 HA THR 105 1.322 10.056 -14.292 768 HB THR 105 HB THR 105 3.029 12.056 -14.272 769 HG1 THR 105 1HG THR 105 2.093 12.058 -11.597 770 1HG2 THR 105 1HG2 THR 105 0.649 12.300 -14.804 771 2HG2 THR 105 2HG2 THR 105 1.275 13.655 -13.865 772 3HG2 THR 105 3HG2 THR 105 0.293 12.417 -13.082 773 H CYS 106 H CYS 106 2.446 8.549 -15.336 774 HA CYS 106 HA CYS 106 5.350 8.478 -14.971 775 1HB CYS 106 2HB CYS 106 3.472 6.140 -14.738 776 2HB CYS 106 1HB CYS 106 5.148 5.914 -15.226 777 HG CYS 106 HG CYS 106 4.927 7.422 -12.606 778 H GLY 107 H GLY 107 5.679 9.456 -16.947 779 1HA GLY 107 2HA GLY 107 6.376 8.900 -19.184 780 2HA GLY 107 1HA GLY 107 5.029 7.768 -19.273 781 H CYS 108 H CYS 108 4.319 10.815 -17.852 782 HA CYS 108 HA CYS 108 2.784 11.534 -20.240 783 1HB CYS 108 2HB CYS 108 2.282 11.672 -17.425 784 2HB CYS 108 1HB CYS 108 2.215 13.302 -18.089 785 HG CYS 108 HG CYS 108 0.531 11.381 -19.707 786 H GLY 109 H GLY 109 5.350 12.666 -18.152 787 1HA GLY 109 2HA GLY 109 5.430 15.332 -19.181 788 2HA GLY 109 1HA GLY 109 6.685 14.543 -18.230 789 H SER 110 H SER 110 5.258 14.379 -21.495 790 HA SER 110 HA SER 110 7.972 13.933 -22.547 791 1HB SER 110 2HB SER 110 5.455 13.334 -24.082 792 2HB SER 110 1HB SER 110 7.070 12.665 -24.305 793 HG SER 110 HG SER 110 5.086 11.968 -22.484 794 H SER 111 H SER 111 6.892 16.526 -21.887 795 HA SER 111 HA SER 111 7.490 17.877 -24.331 796 1HB SER 111 2HB SER 111 5.149 19.171 -24.021 797 2HB SER 111 1HB SER 111 5.343 17.791 -25.103 798 HG SER 111 HG SER 111 4.581 17.500 -22.394 799 H PHE 112 H PHE 112 7.736 20.160 -24.053 800 HA PHE 112 HA PHE 112 8.130 20.900 -21.239 801 1HB PHE 112 2HB PHE 112 9.241 22.271 -23.693 802 2HB PHE 112 1HB PHE 112 9.714 22.543 -22.019 803 HD1 PHE 112 1HD PHE 112 9.863 20.174 -24.831 804 HD2 PHE 112 2HD PHE 112 11.268 21.115 -20.926 805 HE1 PHE 112 1HE PHE 112 11.620 18.466 -25.055 806 HE2 PHE 112 2HE PHE 112 13.027 19.409 -21.143 807 HZ PHE 112 HZ PHE 112 13.205 18.081 -23.210 808 H SER 113 H SER 113 8.198 23.588 -21.338 809 HA SER 113 HA SER 113 5.695 24.498 -22.538 810 1HB SER 113 2HB SER 113 6.353 24.721 -19.593 811 2HB SER 113 1HB SER 113 5.043 25.594 -20.389 812 HG SER 113 HG SER 113 4.233 23.705 -19.483 813 H ILE 114 H ILE 114 5.475 26.845 -22.495 814 HA ILE 114 HA ILE 114 7.625 28.190 -23.519 815 HB ILE 114 HB ILE 114 6.423 30.238 -23.204 816 1HG1 ILE 114 2HG1 ILE 114 5.853 29.906 -20.806 817 2HG1 ILE 114 1HG1 ILE 114 4.483 30.457 -21.764 818 1HG2 ILE 114 1HG2 ILE 114 4.767 29.717 -24.623 819 2HG2 ILE 114 2HG2 ILE 114 4.079 28.508 -23.539 820 3HG2 ILE 114 3HG2 ILE 114 5.462 28.098 -24.552 821 1HD1 ILE 114 1HD1 ILE 114 3.554 28.825 -20.436 822 2HD1 ILE 114 2HD1 ILE 114 4.977 27.788 -20.532 823 3HD1 ILE 114 3HD1 ILE 114 3.903 27.942 -21.921 Start of MODEL 14 1 1H MET 1 1HT MET 1 -26.881 -8.681 -3.017 2 2H MET 1 2HT MET 1 -28.086 -7.745 -2.239 3 3H MET 1 3HT MET 1 -26.790 -8.410 -1.329 4 HA MET 1 HA MET 1 -26.480 -6.439 -3.485 5 1HB MET 1 2HB MET 1 -27.446 -6.151 -0.800 6 2HB MET 1 1HB MET 1 -25.874 -5.371 -0.928 7 1HG MET 1 2HG MET 1 -27.195 -3.635 -1.535 8 2HG MET 1 1HG MET 1 -26.950 -4.368 -3.120 9 1HE MET 1 1HE MET 1 -29.138 -5.071 -4.678 10 2HE MET 1 2HE MET 1 -30.201 -6.205 -3.855 11 3HE MET 1 3HE MET 1 -28.459 -6.435 -3.791 12 H ILE 2 H ILE 2 -24.410 -5.099 -2.327 13 HA ILE 2 HA ILE 2 -22.270 -7.082 -2.486 14 HB ILE 2 HB ILE 2 -21.470 -4.268 -2.289 15 1HG1 ILE 2 2HG1 ILE 2 -23.516 -3.870 -3.528 16 2HG1 ILE 2 1HG1 ILE 2 -22.135 -3.731 -4.625 17 1HG2 ILE 2 1HG2 ILE 2 -20.258 -6.511 -3.046 18 2HG2 ILE 2 2HG2 ILE 2 -19.789 -4.927 -3.676 19 3HG2 ILE 2 3HG2 ILE 2 -20.841 -5.980 -4.625 20 1HD1 ILE 2 1HD1 ILE 2 -23.467 -4.994 -5.933 21 2HD1 ILE 2 2HD1 ILE 2 -24.330 -5.701 -4.570 22 3HD1 ILE 2 3HD1 ILE 2 -22.731 -6.305 -5.010 23 H ASP 3 H ASP 3 -20.293 -5.529 -1.207 24 HA ASP 3 HA ASP 3 -19.487 -4.834 0.839 25 1HB ASP 3 2HB ASP 3 -22.123 -4.402 1.301 26 2HB ASP 3 1HB ASP 3 -21.818 -5.711 2.441 27 H ASP 4 H ASP 4 -20.101 -7.714 -0.330 28 HA ASP 4 HA ASP 4 -19.211 -9.200 2.048 29 1HB ASP 4 2HB ASP 4 -21.344 -9.891 0.807 30 2HB ASP 4 1HB ASP 4 -20.285 -10.407 -0.498 31 H MET 5 H MET 5 -18.670 -8.714 -1.404 32 HA MET 5 HA MET 5 -15.849 -9.391 -1.037 33 1HB MET 5 2HB MET 5 -15.878 -10.720 -3.152 34 2HB MET 5 1HB MET 5 -16.749 -11.471 -1.821 35 1HG MET 5 2HG MET 5 -18.282 -11.801 -3.444 36 2HG MET 5 1HG MET 5 -18.788 -10.190 -2.937 37 1HE MET 5 1HE MET 5 -18.217 -7.850 -5.424 38 2HE MET 5 2HE MET 5 -19.124 -8.510 -4.072 39 3HE MET 5 3HE MET 5 -19.619 -8.877 -5.723 40 H ALA 6 H ALA 6 -14.513 -8.665 -2.859 41 HA ALA 6 HA ALA 6 -13.797 -7.024 -4.274 42 1HB ALA 6 1HB ALA 6 -15.933 -8.119 -5.487 43 2HB ALA 6 2HB ALA 6 -14.983 -6.807 -6.186 44 3HB ALA 6 3HB ALA 6 -16.489 -6.451 -5.338 45 H VAL 7 H VAL 7 -13.433 -5.701 -2.371 46 HA VAL 7 HA VAL 7 -15.433 -3.612 -1.987 47 HB VAL 7 HB VAL 7 -13.306 -3.487 -0.033 48 1HG1 VAL 7 1HG1 VAL 7 -15.664 -2.578 0.031 49 2HG1 VAL 7 2HG1 VAL 7 -15.094 -3.396 1.486 50 3HG1 VAL 7 3HG1 VAL 7 -16.178 -4.231 0.373 51 1HG2 VAL 7 1HG2 VAL 7 -13.008 -5.858 -0.409 52 2HG2 VAL 7 2HG2 VAL 7 -14.742 -6.125 -0.300 53 3HG2 VAL 7 3HG2 VAL 7 -13.839 -5.608 1.122 54 HA PRO 8 HA PRO 8 -11.785 -0.898 -2.912 55 1HB PRO 8 2HB PRO 8 -9.488 -1.180 -1.727 56 2HB PRO 8 1HB PRO 8 -10.935 -1.156 -0.712 57 1HG PRO 8 2HG PRO 8 -9.294 -3.494 -1.600 58 2HG PRO 8 1HG PRO 8 -10.046 -3.193 -0.021 59 1HD PRO 8 2HD PRO 8 -11.130 -4.691 -2.202 60 2HD PRO 8 1HD PRO 8 -11.937 -4.270 -0.682 61 H LEU 9 H LEU 9 -8.745 -2.047 -2.919 62 HA LEU 9 HA LEU 9 -8.306 -1.952 -5.657 63 1HB LEU 9 2HB LEU 9 -6.655 -1.615 -3.832 64 2HB LEU 9 1HB LEU 9 -6.666 -3.345 -3.542 65 HG LEU 9 HG LEU 9 -4.880 -3.445 -4.878 66 1HD1 LEU 9 1HD1 LEU 9 -6.326 -4.356 -6.503 67 2HD1 LEU 9 2HD1 LEU 9 -5.238 -3.252 -7.336 68 3HD1 LEU 9 3HD1 LEU 9 -6.889 -2.758 -6.988 69 1HD2 LEU 9 1HD2 LEU 9 -4.464 -1.415 -6.527 70 2HD2 LEU 9 2HD2 LEU 9 -4.073 -1.333 -4.810 71 3HD2 LEU 9 3HD2 LEU 9 -5.570 -0.623 -5.409 72 H THR 10 H THR 10 -8.562 -3.372 -7.258 73 HA THR 10 HA THR 10 -9.159 -6.168 -6.602 74 HB THR 10 HB THR 10 -9.614 -4.541 -9.107 75 HG1 THR 10 1HG THR 10 -11.097 -4.369 -7.281 76 1HG2 THR 10 1HG2 THR 10 -11.002 -6.968 -9.289 77 2HG2 THR 10 2HG2 THR 10 -9.332 -7.374 -8.885 78 3HG2 THR 10 3HG2 THR 10 -9.681 -6.391 -10.308 79 H PHE 11 H PHE 11 -7.612 -7.635 -6.870 80 HA PHE 11 HA PHE 11 -5.149 -6.914 -8.237 81 1HB PHE 11 2HB PHE 11 -4.187 -8.801 -7.165 82 2HB PHE 11 1HB PHE 11 -5.243 -8.058 -5.974 83 HD1 PHE 11 1HD PHE 11 -7.465 -9.097 -5.512 84 HD2 PHE 11 2HD PHE 11 -4.499 -10.941 -7.919 85 HE1 PHE 11 1HE PHE 11 -8.617 -11.263 -5.258 86 HE2 PHE 11 2HE PHE 11 -5.619 -13.102 -7.679 87 HZ PHE 11 HZ PHE 11 -7.693 -13.261 -6.358 88 H THR 12 H THR 12 -4.113 -9.008 -9.375 89 HA THR 12 HA THR 12 -5.847 -9.496 -11.657 90 HB THR 12 HB THR 12 -3.372 -8.877 -11.791 91 HG1 THR 12 1HG THR 12 -3.337 -11.017 -13.353 92 1HG2 THR 12 1HG2 THR 12 -1.735 -10.582 -11.665 93 2HG2 THR 12 2HG2 THR 12 -2.950 -11.813 -11.336 94 3HG2 THR 12 3HG2 THR 12 -2.603 -10.578 -10.131 95 H ASP 13 H ASP 13 -4.766 -11.994 -12.493 96 HA ASP 13 HA ASP 13 -6.323 -13.766 -10.778 97 1HB ASP 13 2HB ASP 13 -6.587 -13.702 -13.306 98 2HB ASP 13 1HB ASP 13 -4.993 -14.448 -13.401 99 H ALA 14 H ALA 14 -3.084 -13.452 -12.095 100 HA ALA 14 HA ALA 14 -1.988 -15.802 -11.080 101 1HB ALA 14 1HB ALA 14 0.160 -14.837 -11.524 102 2HB ALA 14 2HB ALA 14 -0.515 -13.207 -11.505 103 3HB ALA 14 3HB ALA 14 -0.949 -14.326 -12.796 104 H ALA 15 H ALA 15 -2.281 -12.584 -9.594 105 HA ALA 15 HA ALA 15 -0.700 -13.011 -7.353 106 1HB ALA 15 1HB ALA 15 -1.475 -11.019 -6.702 107 2HB ALA 15 2HB ALA 15 -3.142 -11.587 -6.690 108 3HB ALA 15 3HB ALA 15 -2.417 -11.008 -8.195 109 H ALA 16 H ALA 16 -3.890 -14.118 -8.174 110 HA ALA 16 HA ALA 16 -4.556 -15.237 -5.624 111 1HB ALA 16 1HB ALA 16 -6.220 -14.711 -7.411 112 2HB ALA 16 2HB ALA 16 -6.330 -16.367 -6.817 113 3HB ALA 16 3HB ALA 16 -5.540 -16.032 -8.360 114 H ASN 17 H ASN 17 -3.166 -16.388 -8.624 115 HA ASN 17 HA ASN 17 -2.935 -19.080 -8.033 116 1HB ASN 17 2HB ASN 17 -1.393 -17.241 -9.844 117 2HB ASN 17 1HB ASN 17 -0.989 -18.952 -9.720 118 1HD2 ASN 17 1HD2 ASN 17 -3.737 -16.803 -10.276 119 2HD2 ASN 17 2HD2 ASN 17 -4.500 -17.800 -11.455 120 H LYS 18 H LYS 18 -0.686 -16.415 -7.401 121 HA LYS 18 HA LYS 18 1.465 -17.927 -6.462 122 1HB LYS 18 2HB LYS 18 1.897 -15.655 -6.903 123 2HB LYS 18 1HB LYS 18 0.531 -15.115 -5.941 124 1HG LYS 18 2HG LYS 18 2.798 -16.528 -4.612 125 2HG LYS 18 1HG LYS 18 2.956 -14.826 -5.053 126 1HD LYS 18 2HD LYS 18 0.532 -14.794 -3.871 127 2HD LYS 18 1HD LYS 18 1.299 -16.106 -2.974 128 1HE LYS 18 2HE LYS 18 2.155 -13.238 -3.205 129 2HE LYS 18 1HE LYS 18 1.775 -14.159 -1.750 130 1HZ LYS 18 1HZ LYS 18 3.769 -15.583 -2.422 131 2HZ LYS 18 2HZ LYS 18 4.080 -14.055 -1.770 132 3HZ LYS 18 3HZ LYS 18 4.192 -14.299 -3.439 133 H VAL 19 H VAL 19 -1.534 -16.998 -4.984 134 HA VAL 19 HA VAL 19 -0.720 -17.729 -2.317 135 HB VAL 19 HB VAL 19 -3.451 -17.059 -3.414 136 1HG1 VAL 19 1HG1 VAL 19 -2.550 -17.958 -0.806 137 2HG1 VAL 19 2HG1 VAL 19 -4.184 -17.820 -1.450 138 3HG1 VAL 19 3HG1 VAL 19 -3.399 -16.415 -0.725 139 1HG2 VAL 19 1HG2 VAL 19 -2.623 -14.996 -3.590 140 2HG2 VAL 19 2HG2 VAL 19 -1.159 -15.416 -2.705 141 3HG2 VAL 19 3HG2 VAL 19 -2.619 -14.965 -1.828 142 H LYS 20 H LYS 20 -3.449 -18.827 -4.297 143 HA LYS 20 HA LYS 20 -4.036 -21.143 -2.944 144 1HB LYS 20 2HB LYS 20 -4.920 -21.934 -5.225 145 2HB LYS 20 1HB LYS 20 -5.604 -20.469 -4.536 146 1HG LYS 20 2HG LYS 20 -5.077 -19.353 -6.369 147 2HG LYS 20 1HG LYS 20 -3.369 -19.710 -6.097 148 1HD LYS 20 2HD LYS 20 -5.093 -21.820 -7.300 149 2HD LYS 20 1HD LYS 20 -4.590 -20.466 -8.310 150 1HE LYS 20 2HE LYS 20 -2.264 -20.942 -7.854 151 2HE LYS 20 1HE LYS 20 -2.719 -22.227 -6.732 152 1HZ LYS 20 1HZ LYS 20 -2.116 -22.645 -9.284 153 2HZ LYS 20 2HZ LYS 20 -3.793 -22.465 -9.414 154 3HZ LYS 20 3HZ LYS 20 -3.147 -23.651 -8.394 155 H SER 21 H SER 21 -1.349 -20.555 -5.012 156 HA SER 21 HA SER 21 -0.960 -23.342 -5.620 157 1HB SER 21 2HB SER 21 -0.423 -21.596 -7.286 158 2HB SER 21 1HB SER 21 0.852 -20.999 -6.225 159 HG SER 21 HG SER 21 0.767 -23.285 -7.797 160 H LEU 22 H LEU 22 0.758 -20.891 -3.679 161 HA LEU 22 HA LEU 22 2.634 -22.900 -2.798 162 1HB LEU 22 2HB LEU 22 3.945 -21.202 -2.135 163 2HB LEU 22 1HB LEU 22 2.869 -20.235 -3.113 164 HG LEU 22 HG LEU 22 3.349 -19.158 -0.994 165 1HD1 LEU 22 1HD1 LEU 22 1.292 -18.513 -1.810 166 2HD1 LEU 22 2HD1 LEU 22 0.935 -18.998 -0.154 167 3HD1 LEU 22 3HD1 LEU 22 0.561 -20.070 -1.488 168 1HD2 LEU 22 1HD2 LEU 22 3.260 -20.116 1.028 169 2HD2 LEU 22 2HD2 LEU 22 3.370 -21.616 0.121 170 3HD2 LEU 22 3HD2 LEU 22 1.798 -21.027 0.659 171 H ILE 23 H ILE 23 -0.366 -21.584 -1.710 172 HA ILE 23 HA ILE 23 -0.081 -22.344 1.011 173 HB ILE 23 HB ILE 23 -2.527 -22.069 1.120 174 1HG1 ILE 23 2HG1 ILE 23 -3.256 -20.821 -1.165 175 2HG1 ILE 23 1HG1 ILE 23 -2.163 -22.043 -1.803 176 1HG2 ILE 23 1HG2 ILE 23 -0.629 -20.031 0.173 177 2HG2 ILE 23 2HG2 ILE 23 -1.635 -20.052 1.617 178 3HG2 ILE 23 3HG2 ILE 23 -2.330 -19.602 0.059 179 1HD1 ILE 23 1HD1 ILE 23 -3.798 -23.518 -1.696 180 2HD1 ILE 23 2HD1 ILE 23 -4.867 -22.320 -0.975 181 3HD1 ILE 23 3HD1 ILE 23 -3.847 -23.327 0.054 182 H SER 24 H SER 24 -1.697 -23.744 -1.801 183 HA SER 24 HA SER 24 -2.643 -26.065 -0.589 184 1HB SER 24 2HB SER 24 -2.161 -25.129 -3.339 185 2HB SER 24 1HB SER 24 -2.062 -26.876 -3.147 186 HG SER 24 HG SER 24 -4.226 -25.414 -2.079 187 H GLU 25 H GLU 25 0.486 -25.038 -1.547 188 HA GLU 25 HA GLU 25 1.677 -27.639 -1.573 189 1HB GLU 25 2HB GLU 25 2.388 -25.209 -2.623 190 2HB GLU 25 1HB GLU 25 3.470 -25.347 -1.245 191 1HG GLU 25 2HG GLU 25 3.329 -27.791 -2.796 192 2HG GLU 25 1HG GLU 25 3.865 -26.410 -3.749 193 H GLU 26 H GLU 26 0.869 -25.266 0.782 194 HA GLU 26 HA GLU 26 2.855 -26.131 2.691 195 1HB GLU 26 2HB GLU 26 0.442 -24.358 2.955 196 2HB GLU 26 1HB GLU 26 1.552 -24.686 4.275 197 1HG GLU 26 2HG GLU 26 3.310 -23.556 3.218 198 2HG GLU 26 1HG GLU 26 2.468 -23.535 1.667 199 H GLU 27 H GLU 27 -0.202 -27.140 1.641 200 HA GLU 27 HA GLU 27 -1.379 -29.021 2.187 201 1HB GLU 27 2HB GLU 27 0.998 -29.563 3.457 202 2HB GLU 27 1HB GLU 27 -0.137 -29.550 4.796 203 1HG GLU 27 2HG GLU 27 -1.537 -31.180 3.579 204 2HG GLU 27 1HG GLU 27 -0.295 -31.259 2.330 205 H ASN 28 H ASN 28 -1.388 -26.125 3.413 206 HA ASN 28 HA ASN 28 -2.671 -26.219 5.885 207 1HB ASN 28 2HB ASN 28 -3.686 -24.198 3.965 208 2HB ASN 28 1HB ASN 28 -3.144 -23.999 5.621 209 1HD2 ASN 28 1HD2 ASN 28 -2.445 -23.519 2.417 210 2HD2 ASN 28 2HD2 ASN 28 -0.792 -23.076 2.578 211 H THR 29 H THR 29 -4.306 -25.550 2.816 212 HA THR 29 HA THR 29 -6.126 -27.538 2.620 213 HB THR 29 HB THR 29 -6.966 -27.403 4.802 214 HG1 THR 29 1HG THR 29 -9.053 -26.538 4.571 215 1HG2 THR 29 1HG2 THR 29 -7.761 -24.684 5.111 216 2HG2 THR 29 2HG2 THR 29 -6.030 -24.752 4.753 217 3HG2 THR 29 3HG2 THR 29 -6.690 -25.651 6.123 218 H ASP 30 H ASP 30 -6.120 -23.999 2.927 219 HA ASP 30 HA ASP 30 -6.576 -23.362 0.286 220 1HB ASP 30 2HB ASP 30 -8.999 -24.321 1.611 221 2HB ASP 30 1HB ASP 30 -9.179 -22.675 0.996 222 H LEU 31 H LEU 31 -5.022 -22.139 1.613 223 HA LEU 31 HA LEU 31 -5.689 -20.322 3.570 224 1HB LEU 31 2HB LEU 31 -3.470 -21.016 1.988 225 2HB LEU 31 1HB LEU 31 -3.591 -19.275 1.971 226 HG LEU 31 HG LEU 31 -2.146 -19.887 3.751 227 1HD1 LEU 31 1HD1 LEU 31 -3.203 -18.854 5.589 228 2HD1 LEU 31 2HD1 LEU 31 -4.795 -19.375 5.052 229 3HD1 LEU 31 3HD1 LEU 31 -3.918 -18.144 4.150 230 1HD2 LEU 31 1HD2 LEU 31 -3.726 -22.199 3.884 231 2HD2 LEU 31 2HD2 LEU 31 -3.928 -21.386 5.437 232 3HD2 LEU 31 3HD2 LEU 31 -2.312 -21.798 4.866 233 H LYS 32 H LYS 32 -5.809 -18.087 3.566 234 HA LYS 32 HA LYS 32 -6.982 -16.907 1.139 235 1HB LYS 32 2HB LYS 32 -7.573 -16.235 4.031 236 2HB LYS 32 1HB LYS 32 -8.320 -15.483 2.632 237 1HG LYS 32 2HG LYS 32 -9.500 -17.442 2.080 238 2HG LYS 32 1HG LYS 32 -8.526 -18.427 3.172 239 1HD LYS 32 2HD LYS 32 -10.748 -17.983 4.102 240 2HD LYS 32 1HD LYS 32 -9.475 -17.263 5.091 241 1HE LYS 32 2HE LYS 32 -9.896 -15.118 3.782 242 2HE LYS 32 1HE LYS 32 -11.367 -15.899 3.194 243 1HZ LYS 32 1HZ LYS 32 -12.364 -15.720 5.192 244 2HZ LYS 32 2HZ LYS 32 -11.288 -14.430 5.391 245 3HZ LYS 32 3HZ LYS 32 -10.934 -15.938 6.071 246 H LEU 33 H LEU 33 -5.779 -15.304 0.290 247 HA LEU 33 HA LEU 33 -3.377 -14.446 1.392 248 1HB LEU 33 2HB LEU 33 -4.225 -14.333 -1.021 249 2HB LEU 33 1HB LEU 33 -5.024 -12.848 -0.552 250 HG LEU 33 HG LEU 33 -2.807 -12.597 -1.720 251 1HD1 LEU 33 1HD1 LEU 33 -3.772 -11.266 0.673 252 2HD1 LEU 33 2HD1 LEU 33 -3.168 -10.594 -0.830 253 3HD1 LEU 33 3HD1 LEU 33 -2.037 -11.075 0.434 254 1HD2 LEU 33 1HD2 LEU 33 -0.928 -13.484 -0.921 255 2HD2 LEU 33 2HD2 LEU 33 -1.948 -14.453 0.141 256 3HD2 LEU 33 3HD2 LEU 33 -1.271 -12.930 0.716 257 H ARG 34 H ARG 34 -2.750 -12.595 2.464 258 HA ARG 34 HA ARG 34 -4.821 -10.742 3.332 259 1HB ARG 34 2HB ARG 34 -4.621 -12.458 5.099 260 2HB ARG 34 1HB ARG 34 -2.914 -12.077 5.250 261 1HG ARG 34 2HG ARG 34 -4.064 -9.624 5.561 262 2HG ARG 34 1HG ARG 34 -5.252 -10.689 6.314 263 1HD ARG 34 2HD ARG 34 -3.973 -10.671 8.135 264 2HD ARG 34 1HD ARG 34 -2.794 -11.617 7.228 265 HE ARG 34 HE ARG 34 -2.194 -9.087 6.522 266 1HH1 ARG 34 1HH1 ARG 34 -2.661 -10.622 9.619 267 2HH1 ARG 34 2HH1 ARG 34 -1.560 -9.570 10.448 268 1HH2 ARG 34 1HH2 ARG 34 -0.749 -7.703 7.607 269 2HH2 ARG 34 2HH2 ARG 34 -0.476 -7.911 9.303 270 H VAL 35 H VAL 35 -4.018 -9.087 2.207 271 HA VAL 35 HA VAL 35 -1.245 -8.500 2.000 272 HB VAL 35 HB VAL 35 -3.483 -6.587 1.432 273 1HG1 VAL 35 1HG1 VAL 35 -1.886 -5.871 -0.372 274 2HG1 VAL 35 2HG1 VAL 35 -0.682 -6.916 0.384 275 3HG1 VAL 35 3HG1 VAL 35 -1.353 -5.550 1.278 276 1HG2 VAL 35 1HG2 VAL 35 -4.135 -8.563 0.334 277 2HG2 VAL 35 2HG2 VAL 35 -2.491 -8.884 -0.222 278 3HG2 VAL 35 3HG2 VAL 35 -3.403 -7.530 -0.891 279 H TYR 36 H TYR 36 -0.198 -6.609 2.610 280 HA TYR 36 HA TYR 36 -1.290 -5.070 4.835 281 1HB TYR 36 2HB TYR 36 1.221 -5.257 5.750 282 2HB TYR 36 1HB TYR 36 -0.044 -6.373 6.249 283 HD1 TYR 36 1HD TYR 36 -0.280 -8.500 4.663 284 HD2 TYR 36 2HD TYR 36 3.232 -6.137 5.071 285 HE1 TYR 36 1HE TYR 36 1.079 -10.392 3.875 286 HE2 TYR 36 2HE TYR 36 4.604 -8.019 4.280 287 HH TYR 36 HH TYR 36 3.952 -10.225 2.680 288 H ILE 37 H ILE 37 0.600 -3.288 5.332 289 HA ILE 37 HA ILE 37 0.972 -2.052 2.723 290 HB ILE 37 HB ILE 37 1.108 -0.966 5.520 291 1HG1 ILE 37 2HG1 ILE 37 -1.100 -1.187 4.481 292 2HG1 ILE 37 1HG1 ILE 37 -0.665 0.515 4.666 293 1HG2 ILE 37 1HG2 ILE 37 2.363 0.083 3.061 294 2HG2 ILE 37 2HG2 ILE 37 2.774 0.365 4.754 295 3HG2 ILE 37 3HG2 ILE 37 1.435 1.244 4.015 296 1HD1 ILE 37 1HD1 ILE 37 -1.417 0.597 2.548 297 2HD1 ILE 37 2HD1 ILE 37 -1.052 -1.095 2.230 298 3HD1 ILE 37 3HD1 ILE 37 0.237 0.109 2.189 299 H THR 38 H THR 38 2.775 -2.241 1.662 300 HA THR 38 HA THR 38 5.321 -2.301 3.138 301 HB THR 38 HB THR 38 4.894 -3.839 0.585 302 HG1 THR 38 1HG THR 38 4.596 -4.808 3.232 303 1HG2 THR 38 1HG2 THR 38 7.126 -3.408 2.303 304 2HG2 THR 38 2HG2 THR 38 7.036 -4.317 0.794 305 3HG2 THR 38 3HG2 THR 38 6.684 -5.117 2.327 306 H GLY 39 H GLY 39 3.713 -1.708 0.053 307 1HA GLY 39 2HA GLY 39 4.301 -0.415 -1.764 308 2HA GLY 39 1HA GLY 39 4.423 0.806 -0.505 309 H GLY 40 H GLY 40 5.946 1.784 -1.997 310 1HA GLY 40 2HA GLY 40 8.655 0.718 -1.539 311 2HA GLY 40 1HA GLY 40 8.162 1.195 -3.162 312 H GLY 41 H GLY 41 7.589 3.451 -3.512 313 1HA GLY 41 2HA GLY 41 8.648 5.297 -1.485 314 2HA GLY 41 1HA GLY 41 9.289 5.360 -3.121 315 H CYS 42 H CYS 42 6.928 4.954 -4.566 316 HA CYS 42 HA CYS 42 5.743 7.583 -4.303 317 1HB CYS 42 2HB CYS 42 5.613 5.403 -6.364 318 2HB CYS 42 1HB CYS 42 4.450 6.724 -6.392 319 HG CYS 42 HG CYS 42 6.329 7.520 -7.894 320 H SER 43 H SER 43 4.645 7.214 -2.287 321 HA SER 43 HA SER 43 2.780 6.844 -1.043 322 1HB SER 43 2HB SER 43 1.822 6.915 -3.804 323 2HB SER 43 1HB SER 43 0.784 5.964 -2.743 324 HG SER 43 HG SER 43 0.136 8.111 -2.674 325 H GLY 44 H GLY 44 1.846 4.434 -3.456 326 1HA GLY 44 2HA GLY 44 2.992 2.207 -2.108 327 2HA GLY 44 1HA GLY 44 1.314 2.416 -1.630 328 H PHE 45 H PHE 45 3.216 0.721 -3.623 329 HA PHE 45 HA PHE 45 1.005 0.194 -5.451 330 1HB PHE 45 2HB PHE 45 2.379 0.286 -7.430 331 2HB PHE 45 1HB PHE 45 2.531 1.824 -6.571 332 HD1 PHE 45 1HD PHE 45 4.470 1.656 -4.671 333 HD2 PHE 45 2HD PHE 45 4.329 -0.489 -8.338 334 HE1 PHE 45 1HE PHE 45 6.888 1.359 -4.577 335 HE2 PHE 45 2HE PHE 45 6.770 -0.784 -8.263 336 HZ PHE 45 HZ PHE 45 8.062 0.142 -6.377 337 H GLN 46 H GLN 46 3.018 -1.092 -3.266 338 HA GLN 46 HA GLN 46 3.318 -3.600 -4.777 339 1HB GLN 46 2HB GLN 46 5.089 -2.207 -2.912 340 2HB GLN 46 1HB GLN 46 4.903 -3.921 -2.563 341 1HG GLN 46 2HG GLN 46 5.560 -4.474 -4.836 342 2HG GLN 46 1HG GLN 46 5.718 -2.759 -5.214 343 1HE2 GLN 46 1HE2 GLN 46 7.190 -1.559 -3.648 344 2HE2 GLN 46 2HE2 GLN 46 8.685 -2.341 -3.260 345 H TYR 47 H TYR 47 3.224 -2.851 -1.300 346 HA TYR 47 HA TYR 47 1.903 -3.644 0.385 347 1HB TYR 47 2HB TYR 47 0.080 -4.801 -1.722 348 2HB TYR 47 1HB TYR 47 -0.315 -4.397 -0.055 349 HD1 TYR 47 1HD TYR 47 -0.619 -2.074 0.626 350 HD2 TYR 47 2HD TYR 47 0.155 -3.098 -3.422 351 HE1 TYR 47 1HE TYR 47 -1.364 0.164 -0.073 352 HE2 TYR 47 2HE TYR 47 -0.585 -0.865 -4.140 353 HH TYR 47 HH TYR 47 -0.674 1.616 -2.627 354 H GLY 48 H GLY 48 2.630 -5.242 1.570 355 1HA GLY 48 2HA GLY 48 3.711 -7.624 0.388 356 2HA GLY 48 1HA GLY 48 3.615 -7.266 2.103 357 H PHE 49 H PHE 49 2.866 -9.601 0.183 358 HA PHE 49 HA PHE 49 0.121 -10.008 1.141 359 1HB PHE 49 2HB PHE 49 1.636 -10.976 -1.246 360 2HB PHE 49 1HB PHE 49 0.281 -11.922 -0.643 361 HD1 PHE 49 1HD PHE 49 -1.295 -11.657 -2.322 362 HD2 PHE 49 2HD PHE 49 0.627 -8.243 -0.687 363 HE1 PHE 49 1HE PHE 49 -2.884 -10.209 -3.508 364 HE2 PHE 49 2HE PHE 49 -0.936 -6.775 -1.862 365 HZ PHE 49 HZ PHE 49 -2.705 -7.754 -3.289 366 H THR 50 H THR 50 -0.428 -11.680 2.390 367 HA THR 50 HA THR 50 1.552 -13.787 2.918 368 HB THR 50 HB THR 50 1.475 -12.030 4.771 369 HG1 THR 50 1HG THR 50 1.794 -13.576 6.251 370 1HG2 THR 50 1HG2 THR 50 -0.341 -11.647 6.021 371 2HG2 THR 50 2HG2 THR 50 -0.896 -13.321 5.914 372 3HG2 THR 50 3HG2 THR 50 -1.202 -12.203 4.586 373 H PHE 51 H PHE 51 0.466 -15.722 3.993 374 HA PHE 51 HA PHE 51 -2.201 -16.048 2.829 375 1HB PHE 51 2HB PHE 51 -0.335 -18.305 3.552 376 2HB PHE 51 1HB PHE 51 -1.686 -18.316 2.418 377 HD1 PHE 51 1HD PHE 51 -1.503 -16.854 0.345 378 HD2 PHE 51 2HD PHE 51 1.821 -17.842 2.794 379 HE1 PHE 51 1HE PHE 51 0.025 -16.189 -1.468 380 HE2 PHE 51 2HE PHE 51 3.360 -17.195 0.989 381 HZ PHE 51 HZ PHE 51 2.462 -16.362 -1.144 382 H ASP 52 H ASP 52 -3.499 -15.434 4.392 383 HA ASP 52 HA ASP 52 -3.298 -16.763 7.018 384 1HB ASP 52 2HB ASP 52 -2.885 -14.423 7.286 385 2HB ASP 52 1HB ASP 52 -4.256 -14.002 6.264 386 H GLU 53 H GLU 53 -4.697 -18.389 6.994 387 HA GLU 53 HA GLU 53 -7.166 -18.334 5.547 388 1HB GLU 53 2HB GLU 53 -5.494 -20.301 6.613 389 2HB GLU 53 1HB GLU 53 -6.999 -20.456 7.504 390 1HG GLU 53 2HG GLU 53 -7.495 -20.130 4.690 391 2HG GLU 53 1HG GLU 53 -6.402 -21.478 4.992 392 H LYS 54 H LYS 54 -6.281 -17.524 8.804 393 HA LYS 54 HA LYS 54 -8.663 -18.101 10.103 394 1HB LYS 54 2HB LYS 54 -7.912 -15.884 11.467 395 2HB LYS 54 1HB LYS 54 -7.252 -17.480 11.735 396 1HG LYS 54 2HG LYS 54 -5.817 -16.134 9.645 397 2HG LYS 54 1HG LYS 54 -5.870 -15.152 11.104 398 1HD LYS 54 2HD LYS 54 -3.966 -16.455 11.409 399 2HD LYS 54 1HD LYS 54 -5.196 -17.329 12.327 400 1HE LYS 54 2HE LYS 54 -5.563 -18.714 10.231 401 2HE LYS 54 1HE LYS 54 -4.085 -17.984 9.608 402 1HZ LYS 54 1HZ LYS 54 -2.818 -18.946 11.328 403 2HZ LYS 54 2HZ LYS 54 -3.811 -20.182 10.739 404 3HZ LYS 54 3HZ LYS 54 -4.193 -19.414 12.196 405 H VAL 55 H VAL 55 -8.096 -14.680 10.103 406 HA VAL 55 HA VAL 55 -10.123 -14.010 8.200 407 HB VAL 55 HB VAL 55 -11.044 -13.052 10.820 408 1HG1 VAL 55 1HG1 VAL 55 -12.193 -13.942 8.231 409 2HG1 VAL 55 2HG1 VAL 55 -12.452 -12.451 9.140 410 3HG1 VAL 55 3HG1 VAL 55 -13.223 -13.945 9.664 411 1HG2 VAL 55 1HG2 VAL 55 -12.137 -15.037 11.541 412 2HG2 VAL 55 2HG2 VAL 55 -10.429 -15.413 11.330 413 3HG2 VAL 55 3HG2 VAL 55 -11.592 -15.920 10.113 414 H ASN 56 H ASN 56 -9.140 -12.734 11.336 415 HA ASN 56 HA ASN 56 -7.853 -10.916 11.895 416 1HB ASN 56 2HB ASN 56 -7.880 -9.959 9.039 417 2HB ASN 56 1HB ASN 56 -6.725 -9.574 10.310 418 1HD2 ASN 56 1HD2 ASN 56 -6.414 -12.269 11.233 419 2HD2 ASN 56 2HD2 ASN 56 -5.508 -13.115 10.023 420 H ASP 57 H ASP 57 -9.787 -10.377 12.986 421 HA ASP 57 HA ASP 57 -12.038 -9.181 11.981 422 1HB ASP 57 2HB ASP 57 -12.203 -8.017 14.232 423 2HB ASP 57 1HB ASP 57 -12.019 -9.767 14.282 424 H GLY 58 H GLY 58 -12.627 -7.211 11.258 425 1HA GLY 58 2HA GLY 58 -12.445 -4.994 10.623 426 2HA GLY 58 1HA GLY 58 -11.053 -4.851 11.697 427 H ASP 59 H ASP 59 -11.543 -7.109 9.041 428 HA ASP 59 HA ASP 59 -9.418 -5.783 7.493 429 1HB ASP 59 2HB ASP 59 -8.472 -7.733 8.775 430 2HB ASP 59 1HB ASP 59 -9.619 -8.776 7.937 431 H LEU 60 H LEU 60 -10.424 -5.161 5.660 432 HA LEU 60 HA LEU 60 -12.795 -6.308 4.692 433 1HB LEU 60 2HB LEU 60 -10.801 -4.826 2.992 434 2HB LEU 60 1HB LEU 60 -12.521 -4.986 2.723 435 HG LEU 60 HG LEU 60 -11.045 -3.089 4.423 436 1HD1 LEU 60 1HD1 LEU 60 -12.187 -2.246 2.539 437 2HD1 LEU 60 2HD1 LEU 60 -13.146 -1.773 3.939 438 3HD1 LEU 60 3HD1 LEU 60 -13.659 -3.130 2.938 439 1HD2 LEU 60 1HD2 LEU 60 -13.216 -2.879 5.846 440 2HD2 LEU 60 2HD2 LEU 60 -11.990 -4.065 6.300 441 3HD2 LEU 60 3HD2 LEU 60 -13.438 -4.579 5.433 442 H THR 61 H THR 61 -13.224 -7.894 3.193 443 HA THR 61 HA THR 61 -10.874 -9.397 2.273 444 HB THR 61 HB THR 61 -11.849 -11.427 2.820 445 HG1 THR 61 1HG THR 61 -13.866 -11.719 2.406 446 1HG2 THR 61 1HG2 THR 61 -12.236 -11.389 5.062 447 2HG2 THR 61 2HG2 THR 61 -13.221 -9.925 4.984 448 3HG2 THR 61 3HG2 THR 61 -11.459 -9.820 4.841 449 H ILE 62 H ILE 62 -10.638 -9.535 0.224 450 HA ILE 62 HA ILE 62 -12.954 -9.353 -1.590 451 HB ILE 62 HB ILE 62 -10.736 -9.135 -3.209 452 1HG1 ILE 62 2HG1 ILE 62 -9.318 -8.964 -1.142 453 2HG1 ILE 62 1HG1 ILE 62 -9.162 -7.611 -2.254 454 1HG2 ILE 62 1HG2 ILE 62 -12.924 -7.559 -2.437 455 2HG2 ILE 62 2HG2 ILE 62 -11.908 -7.389 -3.868 456 3HG2 ILE 62 3HG2 ILE 62 -11.507 -6.508 -2.394 457 1HD1 ILE 62 1HD1 ILE 62 -9.492 -6.290 -0.509 458 2HD1 ILE 62 2HD1 ILE 62 -9.968 -7.648 0.511 459 3HD1 ILE 62 3HD1 ILE 62 -11.168 -6.841 -0.500 460 H GLU 63 H GLU 63 -13.445 -11.215 -2.718 461 HA GLU 63 HA GLU 63 -12.184 -13.631 -2.101 462 1HB GLU 63 2HB GLU 63 -14.508 -13.251 -3.063 463 2HB GLU 63 1HB GLU 63 -13.727 -13.166 -4.634 464 1HG GLU 63 2HG GLU 63 -13.509 -15.376 -4.767 465 2HG GLU 63 1HG GLU 63 -12.926 -15.503 -3.108 466 H LYS 64 H LYS 64 -10.910 -15.057 -3.365 467 HA LYS 64 HA LYS 64 -9.152 -13.658 -5.255 468 1HB LYS 64 2HB LYS 64 -8.382 -14.765 -2.967 469 2HB LYS 64 1HB LYS 64 -8.366 -16.220 -3.950 470 1HG LYS 64 2HG LYS 64 -6.255 -15.622 -4.351 471 2HG LYS 64 1HG LYS 64 -6.990 -14.574 -5.554 472 1HD LYS 64 2HD LYS 64 -6.913 -12.698 -4.045 473 2HD LYS 64 1HD LYS 64 -6.369 -13.735 -2.724 474 1HE LYS 64 2HE LYS 64 -4.318 -14.213 -3.909 475 2HE LYS 64 1HE LYS 64 -4.856 -13.248 -5.278 476 1HZ LYS 64 1HZ LYS 64 -4.618 -11.284 -4.089 477 2HZ LYS 64 2HZ LYS 64 -3.269 -12.182 -3.608 478 3HZ LYS 64 3HZ LYS 64 -4.611 -12.062 -2.586 479 H SER 65 H SER 65 -8.274 -14.970 -7.018 480 HA SER 65 HA SER 65 -10.181 -16.148 -8.609 481 1HB SER 65 2HB SER 65 -7.574 -15.475 -8.922 482 2HB SER 65 1HB SER 65 -7.454 -17.230 -8.928 483 HG SER 65 HG SER 65 -8.060 -17.052 -10.930 484 H GLY 66 H GLY 66 -8.057 -17.650 -6.245 485 1HA GLY 66 2HA GLY 66 -9.666 -20.113 -6.508 486 2HA GLY 66 1HA GLY 66 -7.910 -20.201 -6.467 487 H VAL 67 H VAL 67 -9.048 -17.716 -4.530 488 HA VAL 67 HA VAL 67 -9.562 -19.290 -2.156 489 HB VAL 67 HB VAL 67 -7.705 -18.503 -0.845 490 1HG1 VAL 67 1HG1 VAL 67 -7.381 -20.528 -2.237 491 2HG1 VAL 67 2HG1 VAL 67 -5.879 -19.684 -1.871 492 3HG1 VAL 67 3HG1 VAL 67 -6.620 -19.518 -3.463 493 1HG2 VAL 67 1HG2 VAL 67 -6.592 -17.138 -3.281 494 2HG2 VAL 67 2HG2 VAL 67 -5.989 -17.067 -1.626 495 3HG2 VAL 67 3HG2 VAL 67 -7.517 -16.296 -2.040 496 H GLN 68 H GLN 68 -8.723 -17.014 -0.421 497 HA GLN 68 HA GLN 68 -10.609 -14.947 -1.313 498 1HB GLN 68 2HB GLN 68 -10.909 -16.711 0.940 499 2HB GLN 68 1HB GLN 68 -10.750 -15.055 1.507 500 1HG GLN 68 2HG GLN 68 -12.603 -15.519 -0.748 501 2HG GLN 68 1HG GLN 68 -13.074 -16.150 0.824 502 1HE2 GLN 68 1HE2 GLN 68 -11.226 -13.253 0.106 503 2HE2 GLN 68 2HE2 GLN 68 -12.359 -12.138 0.773 504 H LEU 69 H LEU 69 -9.785 -12.940 -1.194 505 HA LEU 69 HA LEU 69 -7.208 -12.612 0.158 506 1HB LEU 69 2HB LEU 69 -7.170 -11.905 -2.111 507 2HB LEU 69 1HB LEU 69 -8.642 -10.980 -1.923 508 HG LEU 69 HG LEU 69 -7.564 -9.218 -0.855 509 1HD1 LEU 69 1HD1 LEU 69 -6.216 -9.701 0.845 510 2HD1 LEU 69 2HD1 LEU 69 -4.934 -9.898 -0.347 511 3HD1 LEU 69 3HD1 LEU 69 -5.849 -11.296 0.195 512 1HD2 LEU 69 1HD2 LEU 69 -5.783 -8.591 -2.282 513 2HD2 LEU 69 2HD2 LEU 69 -6.878 -9.584 -3.247 514 3HD2 LEU 69 3HD2 LEU 69 -5.383 -10.274 -2.616 515 H VAL 70 H VAL 70 -6.945 -11.363 1.926 516 HA VAL 70 HA VAL 70 -9.108 -9.553 2.708 517 HB VAL 70 HB VAL 70 -9.582 -10.536 4.689 518 1HG1 VAL 70 1HG1 VAL 70 -9.981 -12.320 3.137 519 2HG1 VAL 70 2HG1 VAL 70 -9.358 -13.005 4.638 520 3HG1 VAL 70 3HG1 VAL 70 -8.297 -12.836 3.236 521 1HG2 VAL 70 1HG2 VAL 70 -7.999 -11.710 6.138 522 2HG2 VAL 70 2HG2 VAL 70 -7.381 -10.125 5.677 523 3HG2 VAL 70 3HG2 VAL 70 -6.758 -11.575 4.895 524 H ILE 71 H ILE 71 -8.233 -7.587 2.891 525 HA ILE 71 HA ILE 71 -5.461 -7.431 3.866 526 HB ILE 71 HB ILE 71 -5.017 -5.577 2.546 527 1HG1 ILE 71 2HG1 ILE 71 -6.996 -4.244 3.098 528 2HG1 ILE 71 1HG1 ILE 71 -6.704 -4.249 1.364 529 1HG2 ILE 71 1HG2 ILE 71 -5.667 -7.846 1.356 530 2HG2 ILE 71 2HG2 ILE 71 -5.190 -6.417 0.440 531 3HG2 ILE 71 3HG2 ILE 71 -6.897 -6.820 0.618 532 1HD1 ILE 71 1HD1 ILE 71 -8.950 -4.586 1.386 533 2HD1 ILE 71 2HD1 ILE 71 -8.917 -5.454 2.922 534 3HD1 ILE 71 3HD1 ILE 71 -8.402 -6.263 1.441 535 H ASP 72 H ASP 72 -4.852 -5.608 5.120 536 HA ASP 72 HA ASP 72 -6.784 -5.059 7.184 537 1HB ASP 72 2HB ASP 72 -4.491 -5.532 7.808 538 2HB ASP 72 1HB ASP 72 -3.920 -4.183 6.827 539 HA PRO 73 HA PRO 73 -8.597 -1.237 5.965 540 1HB PRO 73 2HB PRO 73 -7.769 -0.362 8.704 541 2HB PRO 73 1HB PRO 73 -9.328 -0.180 7.890 542 1HG PRO 73 2HG PRO 73 -8.986 -2.073 9.711 543 2HG PRO 73 1HG PRO 73 -9.917 -2.402 8.238 544 1HD PRO 73 2HD PRO 73 -7.175 -3.274 8.992 545 2HD PRO 73 1HD PRO 73 -8.389 -4.104 8.001 546 H MET 74 H MET 74 -5.447 -1.121 7.594 547 HA MET 74 HA MET 74 -4.765 1.489 6.962 548 1HB MET 74 2HB MET 74 -3.229 0.645 8.418 549 2HB MET 74 1HB MET 74 -3.312 -0.967 7.730 550 1HG MET 74 2HG MET 74 -1.636 -0.584 6.266 551 2HG MET 74 1HG MET 74 -2.001 1.133 6.107 552 1HE MET 74 1HE MET 74 -1.347 2.159 9.673 553 2HE MET 74 2HE MET 74 -2.040 2.567 8.104 554 3HE MET 74 3HE MET 74 -0.376 3.015 8.476 555 H SER 75 H SER 75 -4.402 -1.486 5.118 556 HA SER 75 HA SER 75 -3.143 -0.174 2.901 557 1HB SER 75 2HB SER 75 -4.550 -2.763 2.491 558 2HB SER 75 1HB SER 75 -2.940 -2.263 1.973 559 HG SER 75 HG SER 75 -2.986 -3.877 3.670 560 H LEU 76 H LEU 76 -6.391 -1.041 3.860 561 HA LEU 76 HA LEU 76 -7.845 -0.891 1.573 562 1HB LEU 76 2HB LEU 76 -9.263 -1.308 3.245 563 2HB LEU 76 1HB LEU 76 -8.343 -0.361 4.389 564 HG LEU 76 HG LEU 76 -10.150 0.940 2.363 565 1HD1 LEU 76 1HD1 LEU 76 -11.594 -0.508 3.534 566 2HD1 LEU 76 2HD1 LEU 76 -11.754 1.069 4.308 567 3HD1 LEU 76 3HD1 LEU 76 -10.772 -0.189 5.059 568 1HD2 LEU 76 1HD2 LEU 76 -10.110 2.407 4.686 569 2HD2 LEU 76 2HD2 LEU 76 -9.141 2.732 3.249 570 3HD2 LEU 76 3HD2 LEU 76 -8.465 1.789 4.577 571 H GLN 77 H GLN 77 -6.682 1.866 3.452 572 HA GLN 77 HA GLN 77 -7.862 3.729 1.631 573 1HB GLN 77 2HB GLN 77 -7.672 5.193 3.285 574 2HB GLN 77 1HB GLN 77 -7.093 3.865 4.272 575 1HG GLN 77 2HG GLN 77 -4.918 4.994 2.767 576 2HG GLN 77 1HG GLN 77 -5.778 6.252 3.650 577 1HE2 GLN 77 1HE2 GLN 77 -5.304 2.865 4.462 578 2HE2 GLN 77 2HE2 GLN 77 -4.435 3.150 5.926 579 H TYR 78 H TYR 78 -4.878 2.054 1.800 580 HA TYR 78 HA TYR 78 -3.426 3.995 0.233 581 1HB TYR 78 2HB TYR 78 -2.768 1.247 1.261 582 2HB TYR 78 1HB TYR 78 -1.704 2.097 0.142 583 HD1 TYR 78 1HD TYR 78 -3.608 3.155 3.184 584 HD2 TYR 78 2HD TYR 78 0.161 2.864 1.238 585 HE1 TYR 78 1HE TYR 78 -2.540 4.266 5.098 586 HE2 TYR 78 2HE TYR 78 1.238 3.984 3.141 587 HH TYR 78 HH TYR 78 -0.153 4.320 6.104 588 H LEU 79 H LEU 79 -4.977 0.873 -0.270 589 HA LEU 79 HA LEU 79 -4.177 0.845 -3.060 590 1HB LEU 79 2HB LEU 79 -5.024 -1.394 -3.165 591 2HB LEU 79 1HB LEU 79 -3.962 -1.196 -1.798 592 HG LEU 79 HG LEU 79 -6.366 -2.493 -1.772 593 1HD1 LEU 79 1HD1 LEU 79 -5.030 -3.071 -0.061 594 2HD1 LEU 79 2HD1 LEU 79 -6.072 -1.955 0.822 595 3HD1 LEU 79 3HD1 LEU 79 -4.502 -1.413 0.229 596 1HD2 LEU 79 1HD2 LEU 79 -7.860 -1.202 -0.326 597 2HD2 LEU 79 2HD2 LEU 79 -7.686 -0.468 -1.916 598 3HD2 LEU 79 3HD2 LEU 79 -6.829 0.211 -0.533 599 H ILE 80 H ILE 80 -6.845 1.879 -1.312 600 HA ILE 80 HA ILE 80 -9.181 1.570 -2.206 601 HB ILE 80 HB ILE 80 -9.655 3.961 -2.485 602 1HG1 ILE 80 2HG1 ILE 80 -7.576 4.498 -3.709 603 2HG1 ILE 80 1HG1 ILE 80 -7.855 5.586 -2.352 604 1HG2 ILE 80 1HG2 ILE 80 -9.464 2.894 -0.271 605 2HG2 ILE 80 2HG2 ILE 80 -9.046 4.608 -0.254 606 3HG2 ILE 80 3HG2 ILE 80 -7.773 3.390 -0.216 607 1HD1 ILE 80 1HD1 ILE 80 -5.707 5.170 -1.903 608 2HD1 ILE 80 2HD1 ILE 80 -5.699 3.685 -2.857 609 3HD1 ILE 80 3HD1 ILE 80 -6.322 3.669 -1.213 610 H GLY 81 H GLY 81 -9.073 0.340 -4.166 611 1HA GLY 81 2HA GLY 81 -10.095 0.183 -6.221 612 2HA GLY 81 1HA GLY 81 -9.997 1.927 -6.378 613 H GLY 82 H GLY 82 -6.951 0.555 -5.732 614 1HA GLY 82 2HA GLY 82 -6.029 1.248 -8.347 615 2HA GLY 82 1HA GLY 82 -5.085 0.437 -7.102 616 H THR 83 H THR 83 -4.165 -0.946 -8.647 617 HA THR 83 HA THR 83 -5.792 -3.290 -9.192 618 HB THR 83 HB THR 83 -4.479 -1.677 -11.377 619 HG1 THR 83 1HG THR 83 -7.084 -2.747 -11.048 620 1HG2 THR 83 1HG2 THR 83 -3.895 -3.559 -12.393 621 2HG2 THR 83 2HG2 THR 83 -5.619 -3.890 -12.572 622 3HG2 THR 83 3HG2 THR 83 -4.729 -4.550 -11.193 623 H VAL 84 H VAL 84 -4.618 -5.098 -8.835 624 HA VAL 84 HA VAL 84 -1.689 -4.790 -8.790 625 HB VAL 84 HB VAL 84 -1.640 -5.411 -6.673 626 1HG1 VAL 84 1HG1 VAL 84 -3.984 -4.497 -6.605 627 2HG1 VAL 84 2HG1 VAL 84 -3.529 -5.589 -5.302 628 3HG1 VAL 84 3HG1 VAL 84 -4.536 -6.170 -6.627 629 1HG2 VAL 84 1HG2 VAL 84 -2.402 -7.729 -6.006 630 2HG2 VAL 84 2HG2 VAL 84 -1.212 -7.630 -7.303 631 3HG2 VAL 84 3HG2 VAL 84 -2.905 -7.934 -7.683 632 H ASP 85 H ASP 85 -0.411 -6.591 -9.274 633 HA ASP 85 HA ASP 85 -1.656 -8.928 -10.406 634 1HB ASP 85 2HB ASP 85 -0.154 -8.624 -12.518 635 2HB ASP 85 1HB ASP 85 -1.704 -7.786 -12.432 636 H TYR 86 H TYR 86 -0.305 -10.707 -10.424 637 HA TYR 86 HA TYR 86 2.359 -10.260 -9.251 638 1HB TYR 86 2HB TYR 86 0.194 -11.700 -8.245 639 2HB TYR 86 1HB TYR 86 1.311 -12.924 -8.828 640 HD1 TYR 86 1HD TYR 86 0.340 -11.434 -5.980 641 HD2 TYR 86 2HD TYR 86 3.911 -12.017 -8.206 642 HE1 TYR 86 1HE TYR 86 1.655 -11.194 -3.913 643 HE2 TYR 86 2HE TYR 86 5.243 -11.786 -6.155 644 HH TYR 86 HH TYR 86 5.001 -11.965 -3.770 645 H THR 87 H THR 87 4.077 -11.415 -10.024 646 HA THR 87 HA THR 87 3.661 -13.401 -12.093 647 HB THR 87 HB THR 87 5.249 -10.881 -12.592 648 HG1 THR 87 1HG THR 87 3.718 -10.550 -14.216 649 1HG2 THR 87 1HG2 THR 87 5.990 -11.699 -14.605 650 2HG2 THR 87 2HG2 THR 87 4.760 -12.963 -14.665 651 3HG2 THR 87 3HG2 THR 87 6.131 -13.117 -13.565 652 H GLU 88 H GLU 88 4.566 -14.855 -10.639 653 HA GLU 88 HA GLU 88 7.256 -14.372 -9.643 654 1HB GLU 88 2HB GLU 88 5.593 -16.863 -9.284 655 2HB GLU 88 1HB GLU 88 6.966 -16.338 -8.318 656 1HG GLU 88 2HG GLU 88 5.664 -14.441 -7.500 657 2HG GLU 88 1HG GLU 88 4.288 -14.974 -8.462 658 H GLY 89 H GLY 89 8.876 -16.141 -9.834 659 1HA GLY 89 2HA GLY 89 8.966 -18.218 -11.557 660 2HA GLY 89 1HA GLY 89 9.164 -16.837 -12.629 661 H LEU 90 H LEU 90 11.248 -17.357 -13.230 662 HA LEU 90 HA LEU 90 13.337 -18.071 -11.518 663 1HB LEU 90 2HB LEU 90 13.303 -18.248 -14.008 664 2HB LEU 90 1HB LEU 90 13.581 -16.521 -14.093 665 HG LEU 90 HG LEU 90 15.766 -16.713 -13.227 666 1HD1 LEU 90 1HD1 LEU 90 15.320 -18.221 -11.387 667 2HD1 LEU 90 2HD1 LEU 90 16.684 -18.810 -12.337 668 3HD1 LEU 90 3HD1 LEU 90 15.101 -19.555 -12.505 669 1HD2 LEU 90 1HD2 LEU 90 16.643 -18.785 -14.629 670 2HD2 LEU 90 2HD2 LEU 90 16.067 -17.308 -15.401 671 3HD2 LEU 90 3HD2 LEU 90 15.008 -18.707 -15.281 672 H GLU 91 H GLU 91 12.583 -14.878 -12.902 673 HA GLU 91 HA GLU 91 14.567 -13.435 -11.585 674 1HB GLU 91 2HB GLU 91 11.808 -12.478 -12.369 675 2HB GLU 91 1HB GLU 91 13.200 -11.452 -12.027 676 1HG GLU 91 2HG GLU 91 14.278 -12.043 -13.989 677 2HG GLU 91 1HG GLU 91 13.333 -13.518 -14.182 678 H GLY 92 H GLY 92 11.743 -14.909 -10.336 679 1HA GLY 92 2HA GLY 92 11.597 -15.176 -7.934 680 2HA GLY 92 1HA GLY 92 12.206 -13.531 -7.767 681 H SER 93 H SER 93 9.871 -14.546 -6.531 682 HA SER 93 HA SER 93 7.496 -13.941 -7.862 683 1HB SER 93 2HB SER 93 6.497 -13.771 -5.596 684 2HB SER 93 1HB SER 93 7.502 -15.207 -5.785 685 HG SER 93 HG SER 93 7.714 -13.354 -3.946 686 H ARG 94 H ARG 94 7.714 -12.027 -9.007 687 HA ARG 94 HA ARG 94 8.292 -9.565 -7.589 688 1HB ARG 94 2HB ARG 94 9.185 -9.223 -9.634 689 2HB ARG 94 1HB ARG 94 8.175 -10.447 -10.383 690 1HG ARG 94 2HG ARG 94 7.044 -7.775 -9.645 691 2HG ARG 94 1HG ARG 94 7.950 -8.001 -11.147 692 1HD ARG 94 2HD ARG 94 6.176 -10.139 -11.079 693 2HD ARG 94 1HD ARG 94 5.235 -8.773 -10.481 694 HE ARG 94 HE ARG 94 5.196 -7.956 -12.604 695 1HH1 ARG 94 1HH1 ARG 94 7.913 -10.131 -12.329 696 2HH1 ARG 94 2HH1 ARG 94 8.335 -10.014 -14.004 697 1HH2 ARG 94 1HH2 ARG 94 5.752 -7.800 -14.806 698 2HH2 ARG 94 2HH2 ARG 94 7.110 -8.689 -15.410 699 H PHE 95 H PHE 95 6.845 -7.888 -7.244 700 HA PHE 95 HA PHE 95 4.020 -8.441 -7.827 701 1HB PHE 95 2HB PHE 95 4.765 -8.935 -5.394 702 2HB PHE 95 1HB PHE 95 4.855 -7.186 -5.226 703 HD1 PHE 95 1HD PHE 95 3.108 -6.694 -3.766 704 HD2 PHE 95 2HD PHE 95 2.383 -9.188 -7.142 705 HE1 PHE 95 1HE PHE 95 0.695 -6.616 -3.301 706 HE2 PHE 95 2HE PHE 95 -0.030 -9.107 -6.685 707 HZ PHE 95 HZ PHE 95 -0.876 -7.820 -4.769 708 H THR 96 H THR 96 3.022 -6.791 -8.791 709 HA THR 96 HA THR 96 4.007 -4.075 -8.289 710 HB THR 96 HB THR 96 3.283 -4.821 -11.087 711 HG1 THR 96 1HG THR 96 5.493 -5.284 -11.459 712 1HG2 THR 96 1HG2 THR 96 3.598 -2.537 -10.911 713 2HG2 THR 96 2HG2 THR 96 5.152 -3.127 -11.504 714 3HG2 THR 96 3HG2 THR 96 4.960 -2.710 -9.801 715 H VAL 97 H VAL 97 2.362 -3.002 -7.506 716 HA VAL 97 HA VAL 97 -0.344 -3.554 -8.501 717 HB VAL 97 HB VAL 97 0.240 -1.808 -6.123 718 1HG1 VAL 97 1HG1 VAL 97 -2.101 -2.953 -7.370 719 2HG1 VAL 97 2HG1 VAL 97 -1.985 -1.684 -6.149 720 3HG1 VAL 97 3HG1 VAL 97 -1.994 -3.385 -5.668 721 1HG2 VAL 97 1HG2 VAL 97 -0.395 -4.270 -5.053 722 2HG2 VAL 97 2HG2 VAL 97 1.202 -3.522 -5.064 723 3HG2 VAL 97 3HG2 VAL 97 0.751 -4.658 -6.331 724 H ASN 98 H ASN 98 -1.766 -1.561 -8.615 725 HA ASN 98 HA ASN 98 -0.210 0.689 -9.699 726 1HB ASN 98 2HB ASN 98 -2.571 -0.761 -10.825 727 2HB ASN 98 1HB ASN 98 -2.404 0.968 -11.147 728 1HD2 ASN 98 1HD2 ASN 98 -1.586 -2.090 -12.189 729 2HD2 ASN 98 2HD2 ASN 98 -0.274 -1.680 -13.222 730 H ASN 99 H ASN 99 -1.401 2.762 -9.689 731 HA ASN 99 HA ASN 99 -2.627 4.374 -8.661 732 1HB ASN 99 2HB ASN 99 -4.761 3.710 -8.522 733 2HB ASN 99 1HB ASN 99 -4.265 2.027 -8.432 734 1HD2 ASN 99 1HD2 ASN 99 -3.598 1.298 -6.199 735 2HD2 ASN 99 2HD2 ASN 99 -4.548 1.877 -4.885 736 HA PRO 100 HA PRO 100 0.224 4.242 -5.130 737 1HB PRO 100 2HB PRO 100 -0.094 6.954 -4.611 738 2HB PRO 100 1HB PRO 100 1.135 6.261 -5.678 739 1HG PRO 100 2HG PRO 100 -1.487 7.512 -6.354 740 2HG PRO 100 1HG PRO 100 0.058 7.603 -7.218 741 1HD PRO 100 2HD PRO 100 -1.953 6.038 -8.069 742 2HD PRO 100 1HD PRO 100 -0.254 5.553 -8.246 743 H ASN 101 H ASN 101 -2.908 5.765 -5.349 744 HA ASN 101 HA ASN 101 -4.073 4.533 -3.179 745 1HB ASN 101 2HB ASN 101 -4.191 6.644 -1.654 746 2HB ASN 101 1HB ASN 101 -2.774 5.596 -1.567 747 1HD2 ASN 101 1HD2 ASN 101 -3.067 7.507 -4.396 748 2HD2 ASN 101 2HD2 ASN 101 -1.899 8.713 -3.971 749 H ALA 102 H ALA 102 -4.587 5.542 -5.860 750 HA ALA 102 HA ALA 102 -6.281 6.417 -7.081 751 1HB ALA 102 1HB ALA 102 -8.480 6.566 -6.045 752 2HB ALA 102 2HB ALA 102 -7.746 6.422 -4.448 753 3HB ALA 102 3HB ALA 102 -7.660 5.074 -5.582 754 H THR 103 H THR 103 -5.002 8.304 -7.446 755 HA THR 103 HA THR 103 -6.332 10.712 -6.553 756 HB THR 103 HB THR 103 -4.152 11.790 -5.903 757 HG1 THR 103 1HG THR 103 -2.494 10.610 -6.433 758 1HG2 THR 103 1HG2 THR 103 -3.988 10.806 -3.676 759 2HG2 THR 103 2HG2 THR 103 -4.994 9.456 -4.202 760 3HG2 THR 103 3HG2 THR 103 -5.664 11.086 -4.148 761 H SER 104 H SER 104 -6.204 12.345 -8.033 762 HA SER 104 HA SER 104 -5.538 11.743 -10.675 763 1HB SER 104 2HB SER 104 -5.955 14.078 -11.163 764 2HB SER 104 1HB SER 104 -7.123 13.536 -9.958 765 HG SER 104 HG SER 104 -5.831 15.629 -9.676 766 H THR 105 H THR 105 -3.840 12.353 -12.019 767 HA THR 105 HA THR 105 -1.449 13.449 -10.713 768 HB THR 105 HB THR 105 -1.215 11.213 -12.704 769 HG1 THR 105 1HG THR 105 -1.428 10.907 -9.894 770 1HG2 THR 105 1HG2 THR 105 0.861 12.238 -12.282 771 2HG2 THR 105 2HG2 THR 105 0.845 10.749 -11.338 772 3HG2 THR 105 3HG2 THR 105 0.563 12.300 -10.545 773 H CYS 106 H CYS 106 -0.142 14.717 -12.000 774 HA CYS 106 HA CYS 106 -1.313 15.488 -14.577 775 1HB CYS 106 2HB CYS 106 0.259 16.913 -12.493 776 2HB CYS 106 1HB CYS 106 0.494 17.417 -14.163 777 HG CYS 106 HG CYS 106 -1.560 18.710 -13.956 778 H GLY 107 H GLY 107 -0.439 13.866 -15.881 779 1HA GLY 107 2HA GLY 107 2.504 13.807 -16.069 780 2HA GLY 107 1HA GLY 107 1.431 12.519 -16.608 781 H CYS 108 H CYS 108 -0.289 14.896 -17.713 782 HA CYS 108 HA CYS 108 -0.603 15.911 -19.718 783 1HB CYS 108 2HB CYS 108 2.415 16.020 -19.630 784 2HB CYS 108 1HB CYS 108 1.459 16.774 -20.900 785 HG CYS 108 HG CYS 108 2.153 18.278 -18.647 786 H GLY 109 H GLY 109 2.425 14.281 -20.600 787 1HA GLY 109 2HA GLY 109 1.012 12.981 -22.804 788 2HA GLY 109 1HA GLY 109 2.759 13.086 -22.602 789 H SER 110 H SER 110 1.777 10.715 -23.360 790 HA SER 110 HA SER 110 1.780 9.088 -20.903 791 1HB SER 110 2HB SER 110 0.604 8.440 -23.617 792 2HB SER 110 1HB SER 110 0.638 7.338 -22.241 793 HG SER 110 HG SER 110 -0.896 9.636 -22.651 794 H SER 111 H SER 111 4.096 9.146 -20.870 795 HA SER 111 HA SER 111 5.303 7.321 -22.842 796 1HB SER 111 2HB SER 111 7.461 8.729 -22.100 797 2HB SER 111 1HB SER 111 6.437 9.213 -23.452 798 HG SER 111 HG SER 111 5.999 10.955 -22.387 799 H PHE 112 H PHE 112 5.195 5.492 -21.595 800 HA PHE 112 HA PHE 112 5.811 3.974 -20.014 801 1HB PHE 112 2HB PHE 112 8.010 5.906 -19.277 802 2HB PHE 112 1HB PHE 112 7.991 4.162 -19.038 803 HD1 PHE 112 1HD PHE 112 9.254 6.714 -21.022 804 HD2 PHE 112 2HD PHE 112 7.618 2.796 -21.306 805 HE1 PHE 112 1HE PHE 112 10.369 6.411 -23.193 806 HE2 PHE 112 2HE PHE 112 8.731 2.485 -23.478 807 HZ PHE 112 HZ PHE 112 10.109 4.294 -24.425 808 H SER 113 H SER 113 6.804 4.135 -17.493 809 HA SER 113 HA SER 113 4.603 5.400 -16.080 810 1HB SER 113 2HB SER 113 6.814 3.731 -14.876 811 2HB SER 113 1HB SER 113 5.208 4.044 -14.217 812 HG SER 113 HG SER 113 4.328 2.684 -15.679 813 H ILE 114 H ILE 114 5.760 5.875 -13.632 814 HA ILE 114 HA ILE 114 6.631 8.476 -13.810 815 HB ILE 114 HB ILE 114 7.261 8.353 -11.501 816 1HG1 ILE 114 2HG1 ILE 114 8.589 6.237 -11.682 817 2HG1 ILE 114 1HG1 ILE 114 7.538 6.300 -10.272 818 1HG2 ILE 114 1HG2 ILE 114 4.795 7.166 -12.480 819 2HG2 ILE 114 2HG2 ILE 114 5.050 8.398 -11.245 820 3HG2 ILE 114 3HG2 ILE 114 5.183 6.690 -10.828 821 1HD1 ILE 114 1HD1 ILE 114 7.233 4.678 -12.767 822 2HD1 ILE 114 2HD1 ILE 114 5.870 4.984 -11.690 823 3HD1 ILE 114 3HD1 ILE 114 7.296 4.138 -11.089 Start of MODEL 15 1 1H MET 1 1HT MET 1 -19.991 -6.688 -11.560 2 2H MET 1 2HT MET 1 -19.167 -8.018 -12.260 3 3H MET 1 3HT MET 1 -18.423 -6.473 -12.205 4 HA MET 1 HA MET 1 -17.660 -8.149 -10.555 5 1HB MET 1 2HB MET 1 -18.012 -5.379 -10.494 6 2HB MET 1 1HB MET 1 -18.559 -5.923 -8.919 7 1HG MET 1 2HG MET 1 -16.385 -5.673 -8.414 8 2HG MET 1 1HG MET 1 -16.293 -7.311 -9.060 9 1HE MET 1 1HE MET 1 -15.065 -7.918 -11.420 10 2HE MET 1 2HE MET 1 -15.017 -6.698 -12.692 11 3HE MET 1 3HE MET 1 -16.560 -7.168 -11.979 12 H ILE 2 H ILE 2 -18.270 -7.950 -7.928 13 HA ILE 2 HA ILE 2 -20.773 -9.460 -7.777 14 HB ILE 2 HB ILE 2 -19.207 -9.303 -5.313 15 1HG1 ILE 2 2HG1 ILE 2 -17.305 -9.220 -6.829 16 2HG1 ILE 2 1HG1 ILE 2 -17.417 -10.819 -6.091 17 1HG2 ILE 2 1HG2 ILE 2 -21.117 -10.920 -6.290 18 2HG2 ILE 2 2HG2 ILE 2 -20.002 -11.390 -5.009 19 3HG2 ILE 2 3HG2 ILE 2 -19.678 -11.869 -6.680 20 1HD1 ILE 2 1HD1 ILE 2 -17.062 -11.468 -8.218 21 2HD1 ILE 2 2HD1 ILE 2 -17.747 -9.995 -8.903 22 3HD1 ILE 2 3HD1 ILE 2 -18.805 -11.280 -8.322 23 H ASP 3 H ASP 3 -21.230 -9.143 -5.033 24 HA ASP 3 HA ASP 3 -22.124 -6.339 -4.937 25 1HB ASP 3 2HB ASP 3 -23.466 -8.894 -4.297 26 2HB ASP 3 1HB ASP 3 -23.749 -7.588 -3.146 27 H ASP 4 H ASP 4 -21.507 -9.032 -2.675 28 HA ASP 4 HA ASP 4 -20.763 -7.209 -0.580 29 1HB ASP 4 2HB ASP 4 -21.774 -9.743 -0.589 30 2HB ASP 4 1HB ASP 4 -20.071 -10.056 -0.250 31 H MET 5 H MET 5 -19.037 -9.763 -2.362 32 HA MET 5 HA MET 5 -16.496 -9.009 -1.329 33 1HB MET 5 2HB MET 5 -17.300 -10.788 -3.628 34 2HB MET 5 1HB MET 5 -15.634 -10.548 -3.131 35 1HG MET 5 2HG MET 5 -17.824 -11.656 -1.394 36 2HG MET 5 1HG MET 5 -16.587 -12.606 -2.224 37 1HE MET 5 1HE MET 5 -17.629 -10.198 0.270 38 2HE MET 5 2HE MET 5 -16.150 -9.300 0.593 39 3HE MET 5 3HE MET 5 -16.641 -10.605 1.672 40 H ALA 6 H ALA 6 -14.665 -8.643 -3.039 41 HA ALA 6 HA ALA 6 -13.669 -7.196 -4.502 42 1HB ALA 6 1HB ALA 6 -14.753 -6.638 -6.497 43 2HB ALA 6 2HB ALA 6 -16.347 -6.651 -5.739 44 3HB ALA 6 3HB ALA 6 -15.492 -8.169 -6.021 45 H VAL 7 H VAL 7 -13.849 -6.135 -2.205 46 HA VAL 7 HA VAL 7 -15.547 -3.850 -2.059 47 HB VAL 7 HB VAL 7 -13.384 -3.765 -0.118 48 1HG1 VAL 7 1HG1 VAL 7 -15.643 -2.670 -0.042 49 2HG1 VAL 7 2HG1 VAL 7 -15.161 -3.539 1.414 50 3HG1 VAL 7 3HG1 VAL 7 -16.318 -4.268 0.294 51 1HG2 VAL 7 1HG2 VAL 7 -13.203 -6.134 -0.333 52 2HG2 VAL 7 2HG2 VAL 7 -14.953 -6.324 -0.373 53 3HG2 VAL 7 3HG2 VAL 7 -14.153 -5.813 1.114 54 HA PRO 8 HA PRO 8 -11.862 -1.184 -3.003 55 1HB PRO 8 2HB PRO 8 -9.564 -1.522 -1.795 56 2HB PRO 8 1HB PRO 8 -11.025 -1.406 -0.808 57 1HG PRO 8 2HG PRO 8 -9.414 -3.812 -1.512 58 2HG PRO 8 1HG PRO 8 -10.311 -3.459 -0.025 59 1HD PRO 8 2HD PRO 8 -11.196 -4.945 -2.340 60 2HD PRO 8 1HD PRO 8 -12.087 -4.626 -0.841 61 H LEU 9 H LEU 9 -8.835 -2.351 -2.979 62 HA LEU 9 HA LEU 9 -8.360 -2.262 -5.708 63 1HB LEU 9 2HB LEU 9 -6.738 -1.946 -3.838 64 2HB LEU 9 1HB LEU 9 -6.750 -3.677 -3.582 65 HG LEU 9 HG LEU 9 -4.908 -3.682 -4.849 66 1HD1 LEU 9 1HD1 LEU 9 -6.366 -4.725 -6.429 67 2HD1 LEU 9 2HD1 LEU 9 -5.215 -3.711 -7.290 68 3HD1 LEU 9 3HD1 LEU 9 -6.870 -3.159 -7.058 69 1HD2 LEU 9 1HD2 LEU 9 -4.473 -1.750 -6.528 70 2HD2 LEU 9 2HD2 LEU 9 -4.309 -1.469 -4.796 71 3HD2 LEU 9 3HD2 LEU 9 -5.762 -0.948 -5.639 72 H THR 10 H THR 10 -8.625 -3.677 -7.307 73 HA THR 10 HA THR 10 -9.209 -6.474 -6.645 74 HB THR 10 HB THR 10 -9.682 -4.873 -9.162 75 HG1 THR 10 1HG THR 10 -11.413 -6.094 -7.280 76 1HG2 THR 10 1HG2 THR 10 -11.056 -7.233 -9.451 77 2HG2 THR 10 2HG2 THR 10 -9.487 -7.747 -8.824 78 3HG2 THR 10 3HG2 THR 10 -9.576 -6.778 -10.296 79 H PHE 11 H PHE 11 -7.651 -7.913 -6.889 80 HA PHE 11 HA PHE 11 -5.192 -7.171 -8.244 81 1HB PHE 11 2HB PHE 11 -4.195 -8.981 -7.107 82 2HB PHE 11 1HB PHE 11 -5.332 -8.295 -5.956 83 HD1 PHE 11 1HD PHE 11 -4.329 -11.157 -7.775 84 HD2 PHE 11 2HD PHE 11 -7.571 -9.416 -5.666 85 HE1 PHE 11 1HE PHE 11 -5.354 -13.367 -7.560 86 HE2 PHE 11 2HE PHE 11 -8.626 -11.628 -5.444 87 HZ PHE 11 HZ PHE 11 -7.514 -13.602 -6.400 88 H THR 12 H THR 12 -4.100 -9.256 -9.329 89 HA THR 12 HA THR 12 -5.807 -9.826 -11.619 90 HB THR 12 HB THR 12 -3.348 -9.136 -11.748 91 HG1 THR 12 1HG THR 12 -3.258 -11.299 -13.284 92 1HG2 THR 12 1HG2 THR 12 -1.678 -10.840 -11.639 93 2HG2 THR 12 2HG2 THR 12 -2.878 -12.051 -11.200 94 3HG2 THR 12 3HG2 THR 12 -2.496 -10.750 -10.079 95 H ASP 13 H ASP 13 -4.655 -12.306 -12.410 96 HA ASP 13 HA ASP 13 -6.164 -14.092 -10.668 97 1HB ASP 13 2HB ASP 13 -4.879 -14.565 -13.365 98 2HB ASP 13 1HB ASP 13 -5.879 -15.731 -12.502 99 H ALA 14 H ALA 14 -2.929 -13.704 -11.973 100 HA ALA 14 HA ALA 14 -1.785 -16.022 -10.919 101 1HB ALA 14 1HB ALA 14 0.337 -15.032 -11.396 102 2HB ALA 14 2HB ALA 14 -0.359 -13.412 -11.393 103 3HB ALA 14 3HB ALA 14 -0.786 -14.552 -12.667 104 H ALA 15 H ALA 15 -2.087 -12.769 -9.508 105 HA ALA 15 HA ALA 15 -0.513 -13.154 -7.258 106 1HB ALA 15 1HB ALA 15 -1.273 -11.142 -6.666 107 2HB ALA 15 2HB ALA 15 -2.939 -11.711 -6.602 108 3HB ALA 15 3HB ALA 15 -2.248 -11.173 -8.138 109 H ALA 16 H ALA 16 -3.696 -14.308 -8.062 110 HA ALA 16 HA ALA 16 -4.366 -15.354 -5.478 111 1HB ALA 16 1HB ALA 16 -6.039 -14.921 -7.280 112 2HB ALA 16 2HB ALA 16 -6.111 -16.562 -6.648 113 3HB ALA 16 3HB ALA 16 -5.325 -16.247 -8.196 114 H ASN 17 H ASN 17 -2.946 -16.573 -8.436 115 HA ASN 17 HA ASN 17 -2.695 -19.247 -7.804 116 1HB ASN 17 2HB ASN 17 -1.151 -17.411 -9.608 117 2HB ASN 17 1HB ASN 17 -0.685 -19.092 -9.437 118 1HD2 ASN 17 1HD2 ASN 17 -3.517 -17.081 -10.075 119 2HD2 ASN 17 2HD2 ASN 17 -4.207 -18.117 -11.258 120 H LYS 18 H LYS 18 -0.454 -16.568 -7.153 121 HA LYS 18 HA LYS 18 1.664 -18.074 -6.134 122 1HB LYS 18 2HB LYS 18 2.169 -15.831 -6.543 123 2HB LYS 18 1HB LYS 18 0.721 -15.254 -5.735 124 1HG LYS 18 2HG LYS 18 2.798 -16.633 -4.113 125 2HG LYS 18 1HG LYS 18 3.094 -14.977 -4.650 126 1HD LYS 18 2HD LYS 18 0.768 -14.460 -3.709 127 2HD LYS 18 1HD LYS 18 0.895 -16.017 -2.891 128 1HE LYS 18 2HE LYS 18 1.696 -14.562 -1.290 129 2HE LYS 18 1HE LYS 18 3.180 -15.110 -2.067 130 1HZ LYS 18 1HZ LYS 18 2.930 -12.637 -1.665 131 2HZ LYS 18 2HZ LYS 18 1.795 -12.640 -2.917 132 3HZ LYS 18 3HZ LYS 18 3.391 -13.107 -3.223 133 H VAL 19 H VAL 19 -1.365 -17.084 -4.735 134 HA VAL 19 HA VAL 19 -0.640 -17.816 -2.045 135 HB VAL 19 HB VAL 19 -3.329 -17.138 -3.237 136 1HG1 VAL 19 1HG1 VAL 19 -2.525 -18.033 -0.587 137 2HG1 VAL 19 2HG1 VAL 19 -4.131 -17.927 -1.305 138 3HG1 VAL 19 3HG1 VAL 19 -3.404 -16.505 -0.556 139 1HG2 VAL 19 1HG2 VAL 19 -1.580 -15.352 -3.363 140 2HG2 VAL 19 2HG2 VAL 19 -1.516 -15.378 -1.601 141 3HG2 VAL 19 3HG2 VAL 19 -3.007 -14.924 -2.421 142 H LYS 20 H LYS 20 -3.323 -18.932 -4.084 143 HA LYS 20 HA LYS 20 -3.947 -21.227 -2.720 144 1HB LYS 20 2HB LYS 20 -4.773 -22.049 -5.012 145 2HB LYS 20 1HB LYS 20 -5.474 -20.581 -4.358 146 1HG LYS 20 2HG LYS 20 -4.925 -19.510 -6.212 147 2HG LYS 20 1HG LYS 20 -3.221 -19.813 -5.866 148 1HD LYS 20 2HD LYS 20 -4.865 -21.965 -7.111 149 2HD LYS 20 1HD LYS 20 -4.276 -20.641 -8.112 150 1HE LYS 20 2HE LYS 20 -1.981 -21.124 -7.282 151 2HE LYS 20 1HE LYS 20 -2.625 -22.537 -6.451 152 1HZ LYS 20 1HZ LYS 20 -2.099 -22.123 -9.272 153 2HZ LYS 20 2HZ LYS 20 -3.540 -22.938 -8.921 154 3HZ LYS 20 3HZ LYS 20 -2.068 -23.550 -8.359 155 H SER 21 H SER 21 -1.199 -20.674 -4.713 156 HA SER 21 HA SER 21 -0.802 -23.470 -5.280 157 1HB SER 21 2HB SER 21 -0.159 -21.864 -6.977 158 2HB SER 21 1HB SER 21 0.952 -21.076 -5.850 159 HG SER 21 HG SER 21 2.384 -22.506 -6.388 160 H LEU 22 H LEU 22 0.804 -21.025 -3.256 161 HA LEU 22 HA LEU 22 2.625 -23.039 -2.264 162 1HB LEU 22 2HB LEU 22 3.936 -21.363 -1.585 163 2HB LEU 22 1HB LEU 22 2.923 -20.387 -2.627 164 HG LEU 22 HG LEU 22 3.328 -19.277 -0.512 165 1HD1 LEU 22 1HD1 LEU 22 1.316 -18.635 -1.456 166 2HD1 LEU 22 2HD1 LEU 22 0.889 -19.042 0.204 167 3HD1 LEU 22 3HD1 LEU 22 0.544 -20.166 -1.096 168 1HD2 LEU 22 1HD2 LEU 22 3.139 -20.197 1.522 169 2HD2 LEU 22 2HD2 LEU 22 3.244 -21.725 0.653 170 3HD2 LEU 22 3HD2 LEU 22 1.667 -21.075 1.108 171 H ILE 23 H ILE 23 -0.399 -21.643 -1.340 172 HA ILE 23 HA ILE 23 -0.242 -22.372 1.405 173 HB ILE 23 HB ILE 23 -2.676 -22.015 1.425 174 1HG1 ILE 23 2HG1 ILE 23 -3.308 -20.787 -0.894 175 2HG1 ILE 23 1HG1 ILE 23 -2.218 -22.040 -1.489 176 1HG2 ILE 23 1HG2 ILE 23 -0.697 -20.047 0.501 177 2HG2 ILE 23 2HG2 ILE 23 -1.734 -20.025 1.923 178 3HG2 ILE 23 3HG2 ILE 23 -2.385 -19.577 0.346 179 1HD1 ILE 23 1HD1 ILE 23 -3.863 -23.507 -1.396 180 2HD1 ILE 23 2HD1 ILE 23 -4.949 -22.259 -0.778 181 3HD1 ILE 23 3HD1 ILE 23 -4.007 -23.244 0.342 182 H SER 24 H SER 24 -1.764 -23.742 -1.463 183 HA SER 24 HA SER 24 -2.826 -26.036 -0.265 184 1HB SER 24 2HB SER 24 -3.527 -25.338 -2.487 185 2HB SER 24 1HB SER 24 -1.883 -25.535 -3.098 186 HG SER 24 HG SER 24 -3.824 -27.437 -2.580 187 H GLU 25 H GLU 25 0.338 -25.086 -1.158 188 HA GLU 25 HA GLU 25 1.449 -27.732 -1.173 189 1HB GLU 25 2HB GLU 25 2.231 -25.334 -2.268 190 2HB GLU 25 1HB GLU 25 3.326 -25.507 -0.902 191 1HG GLU 25 2HG GLU 25 3.028 -27.929 -2.492 192 2HG GLU 25 1HG GLU 25 3.699 -26.564 -3.382 193 H GLU 26 H GLU 26 0.703 -25.295 1.120 194 HA GLU 26 HA GLU 26 2.676 -26.130 3.048 195 1HB GLU 26 2HB GLU 26 0.255 -24.382 3.364 196 2HB GLU 26 1HB GLU 26 1.526 -24.588 4.564 197 1HG GLU 26 2HG GLU 26 2.689 -23.829 2.071 198 2HG GLU 26 1HG GLU 26 1.383 -22.715 2.465 199 H GLU 27 H GLU 27 -0.404 -27.119 2.022 200 HA GLU 27 HA GLU 27 -1.625 -28.954 2.622 201 1HB GLU 27 2HB GLU 27 0.758 -29.504 3.899 202 2HB GLU 27 1HB GLU 27 -0.389 -29.476 5.234 203 1HG GLU 27 2HG GLU 27 -0.988 -31.040 2.757 204 2HG GLU 27 1HG GLU 27 0.100 -31.694 3.987 205 H ASN 28 H ASN 28 -1.574 -26.033 3.782 206 HA ASN 28 HA ASN 28 -2.821 -26.069 6.284 207 1HB ASN 28 2HB ASN 28 -3.807 -24.064 4.305 208 2HB ASN 28 1HB ASN 28 -3.306 -23.837 5.971 209 1HD2 ASN 28 1HD2 ASN 28 -2.529 -23.408 2.792 210 2HD2 ASN 28 2HD2 ASN 28 -0.875 -22.977 2.984 211 H THR 29 H THR 29 -4.461 -25.438 3.209 212 HA THR 29 HA THR 29 -6.321 -27.403 3.088 213 HB THR 29 HB THR 29 -7.155 -27.165 5.258 214 HG1 THR 29 1HG THR 29 -8.814 -26.966 3.600 215 1HG2 THR 29 1HG2 THR 29 -7.890 -24.408 5.447 216 2HG2 THR 29 2HG2 THR 29 -6.161 -24.544 5.114 217 3HG2 THR 29 3HG2 THR 29 -6.868 -25.369 6.512 218 H ASP 30 H ASP 30 -6.311 -23.848 3.289 219 HA ASP 30 HA ASP 30 -6.733 -23.307 0.615 220 1HB ASP 30 2HB ASP 30 -9.193 -24.116 2.016 221 2HB ASP 30 1HB ASP 30 -9.314 -22.547 1.204 222 H LEU 31 H LEU 31 -5.171 -22.057 1.952 223 HA LEU 31 HA LEU 31 -5.843 -20.141 3.804 224 1HB LEU 31 2HB LEU 31 -3.608 -20.944 2.273 225 2HB LEU 31 1HB LEU 31 -3.693 -19.206 2.203 226 HG LEU 31 HG LEU 31 -2.281 -19.788 4.020 227 1HD1 LEU 31 1HD1 LEU 31 -3.332 -18.667 5.795 228 2HD1 LEU 31 2HD1 LEU 31 -4.928 -19.220 5.297 229 3HD1 LEU 31 3HD1 LEU 31 -4.069 -18.023 4.332 230 1HD2 LEU 31 1HD2 LEU 31 -2.489 -21.655 5.186 231 2HD2 LEU 31 2HD2 LEU 31 -3.891 -22.070 4.198 232 3HD2 LEU 31 3HD2 LEU 31 -4.108 -21.213 5.720 233 H LYS 32 H LYS 32 -5.919 -17.895 3.670 234 HA LYS 32 HA LYS 32 -6.958 -16.831 1.132 235 1HB LYS 32 2HB LYS 32 -7.783 -15.280 3.428 236 2HB LYS 32 1HB LYS 32 -8.763 -16.016 2.172 237 1HG LYS 32 2HG LYS 32 -8.384 -18.196 3.526 238 2HG LYS 32 1HG LYS 32 -8.000 -17.079 4.834 239 1HD LYS 32 2HD LYS 32 -10.553 -17.117 3.237 240 2HD LYS 32 1HD LYS 32 -10.351 -17.722 4.882 241 1HE LYS 32 2HE LYS 32 -9.458 -14.955 4.450 242 2HE LYS 32 1HE LYS 32 -11.191 -15.219 4.262 243 1HZ LYS 32 1HZ LYS 32 -11.115 -14.872 6.479 244 2HZ LYS 32 2HZ LYS 32 -9.529 -15.424 6.647 245 3HZ LYS 32 3HZ LYS 32 -10.796 -16.533 6.503 246 H LEU 33 H LEU 33 -5.742 -15.246 0.287 247 HA LEU 33 HA LEU 33 -3.370 -14.380 1.448 248 1HB LEU 33 2HB LEU 33 -4.139 -14.328 -0.998 249 2HB LEU 33 1HB LEU 33 -4.916 -12.811 -0.597 250 HG LEU 33 HG LEU 33 -2.653 -12.656 -1.699 251 1HD1 LEU 33 1HD1 LEU 33 -3.670 -11.219 0.609 252 2HD1 LEU 33 2HD1 LEU 33 -3.001 -10.612 -0.895 253 3HD1 LEU 33 3HD1 LEU 33 -1.926 -11.072 0.425 254 1HD2 LEU 33 1HD2 LEU 33 -0.836 -13.574 -0.806 255 2HD2 LEU 33 2HD2 LEU 33 -1.912 -14.450 0.280 256 3HD2 LEU 33 3HD2 LEU 33 -1.200 -12.918 0.789 257 H ARG 34 H ARG 34 -2.751 -12.474 2.450 258 HA ARG 34 HA ARG 34 -4.845 -10.594 3.201 259 1HB ARG 34 2HB ARG 34 -4.780 -12.130 5.068 260 2HB ARG 34 1HB ARG 34 -3.032 -11.980 5.173 261 1HG ARG 34 2HG ARG 34 -4.228 -9.386 5.356 262 2HG ARG 34 1HG ARG 34 -4.984 -10.477 6.518 263 1HD ARG 34 2HD ARG 34 -2.534 -11.152 7.058 264 2HD ARG 34 1HD ARG 34 -2.130 -9.613 6.306 265 HE ARG 34 HE ARG 34 -4.174 -9.380 8.299 266 1HH1 ARG 34 1HH1 ARG 34 -0.725 -9.519 7.778 267 2HH1 ARG 34 2HH1 ARG 34 -0.349 -8.663 9.228 268 1HH2 ARG 34 1HH2 ARG 34 -3.677 -8.254 10.211 269 2HH2 ARG 34 2HH2 ARG 34 -2.021 -7.947 10.614 270 H VAL 35 H VAL 35 -4.021 -8.987 2.025 271 HA VAL 35 HA VAL 35 -1.262 -8.381 1.823 272 HB VAL 35 HB VAL 35 -3.551 -6.525 1.234 273 1HG1 VAL 35 1HG1 VAL 35 -1.930 -5.720 -0.526 274 2HG1 VAL 35 2HG1 VAL 35 -0.699 -6.684 0.290 275 3HG1 VAL 35 3HG1 VAL 35 -1.491 -5.358 1.144 276 1HG2 VAL 35 1HG2 VAL 35 -4.137 -8.390 0.016 277 2HG2 VAL 35 2HG2 VAL 35 -2.463 -8.848 -0.293 278 3HG2 VAL 35 3HG2 VAL 35 -3.175 -7.471 -1.135 279 H TYR 36 H TYR 36 -0.182 -6.538 2.440 280 HA TYR 36 HA TYR 36 -1.252 -4.910 4.606 281 1HB TYR 36 2HB TYR 36 1.258 -5.210 5.558 282 2HB TYR 36 1HB TYR 36 -0.102 -6.178 6.112 283 HD1 TYR 36 1HD TYR 36 3.181 -6.296 4.894 284 HD2 TYR 36 2HD TYR 36 -0.523 -8.375 4.705 285 HE1 TYR 36 1HE TYR 36 4.371 -8.338 4.218 286 HE2 TYR 36 2HE TYR 36 0.653 -10.422 4.033 287 HH TYR 36 HH TYR 36 3.239 -11.279 4.438 288 H ILE 37 H ILE 37 0.698 -3.215 5.129 289 HA ILE 37 HA ILE 37 1.194 -2.010 2.531 290 HB ILE 37 HB ILE 37 1.451 -0.956 5.338 291 1HG1 ILE 37 2HG1 ILE 37 -0.802 -1.041 4.351 292 2HG1 ILE 37 1HG1 ILE 37 -0.260 0.624 4.572 293 1HG2 ILE 37 1HG2 ILE 37 2.646 0.065 2.828 294 2HG2 ILE 37 2HG2 ILE 37 3.188 0.243 4.498 295 3HG2 ILE 37 3HG2 ILE 37 1.868 1.244 3.888 296 1HD1 ILE 37 1HD1 ILE 37 -1.065 0.823 2.484 297 2HD1 ILE 37 2HD1 ILE 37 -0.821 -0.881 2.104 298 3HD1 ILE 37 3HD1 ILE 37 0.542 0.239 2.057 299 H THR 38 H THR 38 2.952 -2.535 1.474 300 HA THR 38 HA THR 38 5.536 -2.437 2.822 301 HB THR 38 HB THR 38 4.787 -4.760 1.045 302 HG1 THR 38 1HG THR 38 3.738 -4.731 3.168 303 1HG2 THR 38 1HG2 THR 38 7.253 -3.964 2.471 304 2HG2 THR 38 2HG2 THR 38 7.046 -4.754 0.908 305 3HG2 THR 38 3HG2 THR 38 6.844 -5.679 2.398 306 H GLY 39 H GLY 39 4.060 -0.781 0.899 307 1HA GLY 39 2HA GLY 39 4.883 -1.061 -1.729 308 2HA GLY 39 1HA GLY 39 4.505 0.474 -0.955 309 H GLY 40 H GLY 40 6.148 1.284 -2.418 310 1HA GLY 40 2HA GLY 40 8.872 0.512 -2.182 311 2HA GLY 40 1HA GLY 40 8.263 1.975 -2.952 312 H GLY 41 H GLY 41 7.248 3.511 -1.126 313 1HA GLY 41 2HA GLY 41 8.490 3.560 1.412 314 2HA GLY 41 1HA GLY 41 9.417 4.553 0.297 315 H CYS 42 H CYS 42 8.259 6.296 -0.819 316 HA CYS 42 HA CYS 42 6.340 7.546 0.995 317 1HB CYS 42 2HB CYS 42 8.512 8.589 -0.242 318 2HB CYS 42 1HB CYS 42 7.263 9.007 -1.411 319 HG CYS 42 HG CYS 42 6.382 9.893 1.304 320 H SER 43 H SER 43 5.331 5.394 -0.401 321 HA SER 43 HA SER 43 3.016 6.475 -1.579 322 1HB SER 43 2HB SER 43 5.034 6.576 -3.375 323 2HB SER 43 1HB SER 43 4.445 4.944 -3.682 324 HG SER 43 HG SER 43 3.373 6.516 -4.963 325 H GLY 44 H GLY 44 2.677 4.098 -3.392 326 1HA GLY 44 2HA GLY 44 3.050 1.746 -1.840 327 2HA GLY 44 1HA GLY 44 1.418 2.366 -1.639 328 H PHE 45 H PHE 45 3.471 0.482 -3.549 329 HA PHE 45 HA PHE 45 1.311 0.117 -5.482 330 1HB PHE 45 2HB PHE 45 2.736 0.219 -7.383 331 2HB PHE 45 1HB PHE 45 3.062 1.666 -6.427 332 HD1 PHE 45 1HD PHE 45 4.556 -0.813 -8.288 333 HD2 PHE 45 2HD PHE 45 4.982 1.218 -4.575 334 HE1 PHE 45 1HE PHE 45 6.945 -1.390 -8.256 335 HE2 PHE 45 2HE PHE 45 7.373 0.651 -4.532 336 HZ PHE 45 HZ PHE 45 8.362 -0.656 -6.375 337 H GLN 46 H GLN 46 3.386 -1.301 -3.311 338 HA GLN 46 HA GLN 46 3.402 -3.844 -4.787 339 1HB GLN 46 2HB GLN 46 5.111 -2.873 -2.504 340 2HB GLN 46 1HB GLN 46 5.097 -4.543 -3.050 341 1HG GLN 46 2HG GLN 46 6.121 -4.037 -5.053 342 2HG GLN 46 1HG GLN 46 5.629 -2.343 -4.989 343 1HE2 GLN 46 1HE2 GLN 46 6.536 -1.134 -3.100 344 2HE2 GLN 46 2HE2 GLN 46 8.203 -1.403 -2.717 345 H TYR 47 H TYR 47 3.499 -3.103 -1.322 346 HA TYR 47 HA TYR 47 2.165 -3.748 0.407 347 1HB TYR 47 2HB TYR 47 0.174 -4.772 -1.613 348 2HB TYR 47 1HB TYR 47 -0.124 -4.302 0.058 349 HD1 TYR 47 1HD TYR 47 0.065 -1.891 0.698 350 HD2 TYR 47 2HD TYR 47 0.112 -3.174 -3.353 351 HE1 TYR 47 1HE TYR 47 -0.469 0.397 -0.022 352 HE2 TYR 47 2HE TYR 47 -0.425 -0.887 -4.091 353 HH TYR 47 HH TYR 47 -1.703 1.357 -2.336 354 H GLY 48 H GLY 48 2.950 -5.348 1.525 355 1HA GLY 48 2HA GLY 48 3.824 -7.794 0.394 356 2HA GLY 48 1HA GLY 48 3.736 -7.428 2.106 357 H PHE 49 H PHE 49 2.912 -9.718 0.173 358 HA PHE 49 HA PHE 49 0.144 -10.046 1.073 359 1HB PHE 49 2HB PHE 49 1.733 -11.108 -1.219 360 2HB PHE 49 1HB PHE 49 0.368 -12.047 -0.626 361 HD1 PHE 49 1HD PHE 49 0.644 -8.373 -0.728 362 HD2 PHE 49 2HD PHE 49 -1.116 -11.851 -2.415 363 HE1 PHE 49 1HE PHE 49 -0.887 -6.958 -2.007 364 HE2 PHE 49 2HE PHE 49 -2.674 -10.452 -3.700 365 HZ PHE 49 HZ PHE 49 -2.558 -7.994 -3.507 366 H THR 50 H THR 50 -0.460 -11.615 2.417 367 HA THR 50 HA THR 50 1.457 -13.753 3.068 368 HB THR 50 HB THR 50 1.389 -11.932 4.849 369 HG1 THR 50 1HG THR 50 1.268 -13.492 6.522 370 1HG2 THR 50 1HG2 THR 50 -0.434 -11.482 6.090 371 2HG2 THR 50 2HG2 THR 50 -1.081 -13.119 5.930 372 3HG2 THR 50 3HG2 THR 50 -1.265 -11.962 4.612 373 H PHE 51 H PHE 51 0.345 -15.629 4.159 374 HA PHE 51 HA PHE 51 -2.310 -15.968 2.961 375 1HB PHE 51 2HB PHE 51 -0.515 -18.220 3.849 376 2HB PHE 51 1HB PHE 51 -1.811 -18.246 2.653 377 HD1 PHE 51 1HD PHE 51 -1.498 -16.840 0.549 378 HD2 PHE 51 2HD PHE 51 1.682 -17.860 3.169 379 HE1 PHE 51 1HE PHE 51 0.128 -16.273 -1.209 380 HE2 PHE 51 2HE PHE 51 3.321 -17.314 1.422 381 HZ PHE 51 HZ PHE 51 2.545 -16.513 -0.772 382 H ASP 52 H ASP 52 -3.652 -15.287 4.449 383 HA ASP 52 HA ASP 52 -3.495 -16.415 7.160 384 1HB ASP 52 2HB ASP 52 -3.228 -14.065 7.281 385 2HB ASP 52 1HB ASP 52 -4.513 -13.784 6.116 386 H GLU 53 H GLU 53 -4.781 -18.136 7.235 387 HA GLU 53 HA GLU 53 -7.174 -18.405 5.728 388 1HB GLU 53 2HB GLU 53 -5.466 -20.101 7.156 389 2HB GLU 53 1HB GLU 53 -7.027 -20.228 7.955 390 1HG GLU 53 2HG GLU 53 -7.353 -20.314 5.105 391 2HG GLU 53 1HG GLU 53 -6.188 -21.527 5.636 392 H LYS 54 H LYS 54 -6.489 -17.260 8.960 393 HA LYS 54 HA LYS 54 -8.936 -17.670 10.172 394 1HB LYS 54 2HB LYS 54 -8.316 -15.271 11.257 395 2HB LYS 54 1HB LYS 54 -7.628 -16.797 11.773 396 1HG LYS 54 2HG LYS 54 -6.106 -15.718 9.600 397 2HG LYS 54 1HG LYS 54 -6.281 -14.522 10.881 398 1HD LYS 54 2HD LYS 54 -4.380 -15.659 11.529 399 2HD LYS 54 1HD LYS 54 -5.640 -16.486 12.447 400 1HE LYS 54 2HE LYS 54 -4.265 -18.178 11.525 401 2HE LYS 54 1HE LYS 54 -5.743 -18.165 10.575 402 1HZ LYS 54 1HZ LYS 54 -4.548 -16.768 8.933 403 2HZ LYS 54 2HZ LYS 54 -3.893 -18.318 9.101 404 3HZ LYS 54 3HZ LYS 54 -3.123 -16.993 9.818 405 H VAL 55 H VAL 55 -8.330 -14.271 9.525 406 HA VAL 55 HA VAL 55 -9.886 -13.664 7.413 407 HB VAL 55 HB VAL 55 -11.740 -14.949 8.469 408 1HG1 VAL 55 1HG1 VAL 55 -11.290 -14.405 10.808 409 2HG1 VAL 55 2HG1 VAL 55 -12.943 -14.031 10.355 410 3HG1 VAL 55 3HG1 VAL 55 -11.767 -12.734 10.506 411 1HG2 VAL 55 1HG2 VAL 55 -13.466 -13.310 8.021 412 2HG2 VAL 55 2HG2 VAL 55 -12.179 -13.186 6.834 413 3HG2 VAL 55 3HG2 VAL 55 -12.284 -12.009 8.140 414 H ASN 56 H ASN 56 -8.831 -12.786 10.567 415 HA ASN 56 HA ASN 56 -8.510 -10.777 11.595 416 1HB ASN 56 2HB ASN 56 -7.991 -10.057 8.711 417 2HB ASN 56 1HB ASN 56 -7.630 -8.990 10.059 418 1HD2 ASN 56 1HD2 ASN 56 -7.186 -12.418 9.269 419 2HD2 ASN 56 2HD2 ASN 56 -5.525 -12.484 9.742 420 H ASP 57 H ASP 57 -10.541 -10.383 12.395 421 HA ASP 57 HA ASP 57 -12.814 -9.579 11.121 422 1HB ASP 57 2HB ASP 57 -11.750 -8.838 13.827 423 2HB ASP 57 1HB ASP 57 -13.317 -8.254 13.274 424 H GLY 58 H GLY 58 -10.213 -7.391 12.220 425 1HA GLY 58 2HA GLY 58 -11.548 -5.137 10.961 426 2HA GLY 58 1HA GLY 58 -10.053 -5.080 11.895 427 H ASP 59 H ASP 59 -11.151 -6.830 8.993 428 HA ASP 59 HA ASP 59 -9.173 -5.502 7.345 429 1HB ASP 59 2HB ASP 59 -8.657 -8.185 8.450 430 2HB ASP 59 1HB ASP 59 -8.561 -8.124 6.699 431 H LEU 60 H LEU 60 -10.258 -5.053 5.525 432 HA LEU 60 HA LEU 60 -12.686 -6.259 4.813 433 1HB LEU 60 2HB LEU 60 -10.837 -4.898 2.865 434 2HB LEU 60 1HB LEU 60 -12.575 -5.036 2.769 435 HG LEU 60 HG LEU 60 -10.915 -3.107 4.271 436 1HD1 LEU 60 1HD1 LEU 60 -12.065 -2.256 2.419 437 2HD1 LEU 60 2HD1 LEU 60 -13.008 -1.739 3.809 438 3HD1 LEU 60 3HD1 LEU 60 -13.547 -3.109 2.835 439 1HD2 LEU 60 1HD2 LEU 60 -13.012 -2.723 5.757 440 2HD2 LEU 60 2HD2 LEU 60 -11.822 -3.941 6.223 441 3HD2 LEU 60 3HD2 LEU 60 -13.323 -4.428 5.437 442 H THR 61 H THR 61 -13.080 -7.514 2.735 443 HA THR 61 HA THR 61 -10.804 -9.199 2.048 444 HB THR 61 HB THR 61 -11.705 -11.190 2.724 445 HG1 THR 61 1HG THR 61 -13.657 -11.143 1.683 446 1HG2 THR 61 1HG2 THR 61 -12.484 -11.061 4.932 447 2HG2 THR 61 2HG2 THR 61 -13.166 -9.456 4.675 448 3HG2 THR 61 3HG2 THR 61 -11.420 -9.672 4.710 449 H ILE 62 H ILE 62 -10.660 -9.782 0.055 450 HA ILE 62 HA ILE 62 -12.964 -9.540 -1.768 451 HB ILE 62 HB ILE 62 -10.861 -9.214 -3.436 452 1HG1 ILE 62 2HG1 ILE 62 -9.313 -9.145 -1.433 453 2HG1 ILE 62 1HG1 ILE 62 -9.179 -7.788 -2.543 454 1HG2 ILE 62 1HG2 ILE 62 -13.018 -7.780 -2.748 455 2HG2 ILE 62 2HG2 ILE 62 -11.790 -7.221 -3.882 456 3HG2 ILE 62 3HG2 ILE 62 -11.745 -6.694 -2.202 457 1HD1 ILE 62 1HD1 ILE 62 -9.443 -6.417 -0.832 458 2HD1 ILE 62 2HD1 ILE 62 -9.702 -7.780 0.256 459 3HD1 ILE 62 3HD1 ILE 62 -11.069 -7.053 -0.588 460 H GLU 63 H GLU 63 -13.423 -11.497 -2.707 461 HA GLU 63 HA GLU 63 -11.933 -13.799 -2.164 462 1HB GLU 63 2HB GLU 63 -14.361 -13.614 -2.923 463 2HB GLU 63 1HB GLU 63 -13.725 -13.513 -4.558 464 1HG GLU 63 2HG GLU 63 -12.531 -15.694 -4.076 465 2HG GLU 63 1HG GLU 63 -13.537 -15.803 -2.632 466 H LYS 64 H LYS 64 -10.681 -15.164 -3.547 467 HA LYS 64 HA LYS 64 -9.281 -13.665 -5.656 468 1HB LYS 64 2HB LYS 64 -8.205 -15.833 -3.842 469 2HB LYS 64 1HB LYS 64 -7.310 -15.085 -5.165 470 1HG LYS 64 2HG LYS 64 -7.641 -12.883 -4.005 471 2HG LYS 64 1HG LYS 64 -8.285 -13.779 -2.635 472 1HD LYS 64 2HD LYS 64 -6.064 -13.487 -2.047 473 2HD LYS 64 1HD LYS 64 -6.047 -15.093 -2.763 474 1HE LYS 64 2HE LYS 64 -4.264 -14.193 -3.852 475 2HE LYS 64 1HE LYS 64 -5.543 -13.706 -4.961 476 1HZ LYS 64 1HZ LYS 64 -5.563 -11.537 -4.046 477 2HZ LYS 64 2HZ LYS 64 -3.940 -11.919 -4.335 478 3HZ LYS 64 3HZ LYS 64 -4.556 -11.983 -2.760 479 H SER 65 H SER 65 -8.131 -15.188 -7.220 480 HA SER 65 HA SER 65 -9.961 -16.500 -8.789 481 1HB SER 65 2HB SER 65 -7.275 -15.912 -8.955 482 2HB SER 65 1HB SER 65 -7.292 -17.679 -8.980 483 HG SER 65 HG SER 65 -8.506 -15.863 -10.766 484 H GLY 66 H GLY 66 -7.872 -17.896 -6.296 485 1HA GLY 66 2HA GLY 66 -9.532 -20.324 -6.434 486 2HA GLY 66 1HA GLY 66 -7.781 -20.430 -6.331 487 H VAL 67 H VAL 67 -8.888 -17.822 -4.545 488 HA VAL 67 HA VAL 67 -9.508 -19.301 -2.132 489 HB VAL 67 HB VAL 67 -7.670 -18.489 -0.808 490 1HG1 VAL 67 1HG1 VAL 67 -7.372 -20.584 -2.088 491 2HG1 VAL 67 2HG1 VAL 67 -5.853 -19.756 -1.741 492 3HG1 VAL 67 3HG1 VAL 67 -6.567 -19.652 -3.350 493 1HG2 VAL 67 1HG2 VAL 67 -7.415 -16.349 -2.149 494 2HG2 VAL 67 2HG2 VAL 67 -6.438 -17.290 -3.273 495 3HG2 VAL 67 3HG2 VAL 67 -5.925 -17.109 -1.595 496 H GLN 68 H GLN 68 -8.634 -16.939 -0.485 497 HA GLN 68 HA GLN 68 -10.437 -14.879 -1.491 498 1HB GLN 68 2HB GLN 68 -12.024 -15.343 -0.022 499 2HB GLN 68 1HB GLN 68 -11.081 -16.693 0.576 500 1HG GLN 68 2HG GLN 68 -11.335 -15.590 2.492 501 2HG GLN 68 1HG GLN 68 -9.897 -14.740 1.945 502 1HE2 GLN 68 1HE2 GLN 68 -11.208 -13.222 -0.069 503 2HE2 GLN 68 2HE2 GLN 68 -12.162 -12.037 0.732 504 H LEU 69 H LEU 69 -9.689 -12.866 -1.229 505 HA LEU 69 HA LEU 69 -7.160 -12.543 0.208 506 1HB LEU 69 2HB LEU 69 -7.090 -11.833 -2.062 507 2HB LEU 69 1HB LEU 69 -8.553 -10.896 -1.886 508 HG LEU 69 HG LEU 69 -7.466 -9.161 -0.763 509 1HD1 LEU 69 1HD1 LEU 69 -6.055 -9.667 0.881 510 2HD1 LEU 69 2HD1 LEU 69 -4.818 -9.903 -0.350 511 3HD1 LEU 69 3HD1 LEU 69 -5.762 -11.271 0.215 512 1HD2 LEU 69 1HD2 LEU 69 -5.698 -8.518 -2.209 513 2HD2 LEU 69 2HD2 LEU 69 -6.835 -9.462 -3.173 514 3HD2 LEU 69 3HD2 LEU 69 -5.339 -10.199 -2.600 515 H VAL 70 H VAL 70 -6.874 -11.158 1.894 516 HA VAL 70 HA VAL 70 -9.060 -9.392 2.677 517 HB VAL 70 HB VAL 70 -9.539 -10.334 4.665 518 1HG1 VAL 70 1HG1 VAL 70 -8.371 -12.540 3.049 519 2HG1 VAL 70 2HG1 VAL 70 -10.041 -12.259 3.547 520 3HG1 VAL 70 3HG1 VAL 70 -8.862 -12.869 4.708 521 1HG2 VAL 70 1HG2 VAL 70 -7.924 -11.418 6.172 522 2HG2 VAL 70 2HG2 VAL 70 -7.412 -9.799 5.694 523 3HG2 VAL 70 3HG2 VAL 70 -6.671 -11.216 4.949 524 H ILE 71 H ILE 71 -8.152 -7.416 2.756 525 HA ILE 71 HA ILE 71 -5.351 -7.256 3.630 526 HB ILE 71 HB ILE 71 -5.007 -5.369 2.324 527 1HG1 ILE 71 2HG1 ILE 71 -7.007 -4.109 3.062 528 2HG1 ILE 71 1HG1 ILE 71 -6.737 -3.990 1.329 529 1HG2 ILE 71 1HG2 ILE 71 -7.027 -6.892 0.696 530 2HG2 ILE 71 2HG2 ILE 71 -5.405 -7.482 1.047 531 3HG2 ILE 71 3HG2 ILE 71 -5.621 -6.001 0.117 532 1HD1 ILE 71 1HD1 ILE 71 -8.960 -4.389 1.305 533 2HD1 ILE 71 2HD1 ILE 71 -8.927 -5.289 2.822 534 3HD1 ILE 71 3HD1 ILE 71 -8.394 -6.060 1.328 535 H ASP 72 H ASP 72 -4.761 -5.087 4.626 536 HA ASP 72 HA ASP 72 -6.537 -4.718 6.907 537 1HB ASP 72 2HB ASP 72 -4.612 -3.549 7.933 538 2HB ASP 72 1HB ASP 72 -4.210 -5.183 7.401 539 HA PRO 73 HA PRO 73 -8.435 -0.890 5.851 540 1HB PRO 73 2HB PRO 73 -7.464 -0.072 8.561 541 2HB PRO 73 1HB PRO 73 -9.068 0.109 7.841 542 1HG PRO 73 2HG PRO 73 -8.587 -1.815 9.617 543 2HG PRO 73 1HG PRO 73 -9.634 -2.106 8.215 544 1HD PRO 73 2HD PRO 73 -6.865 -3.045 8.734 545 2HD PRO 73 1HD PRO 73 -8.156 -3.803 7.786 546 H MET 74 H MET 74 -5.237 -0.833 7.366 547 HA MET 74 HA MET 74 -4.521 1.772 6.747 548 1HB MET 74 2HB MET 74 -2.974 0.916 8.167 549 2HB MET 74 1HB MET 74 -3.136 -0.706 7.519 550 1HG MET 74 2HG MET 74 -1.438 -0.444 6.064 551 2HG MET 74 1HG MET 74 -1.763 1.268 5.797 552 1HE MET 74 1HE MET 74 -1.476 3.005 7.538 553 2HE MET 74 2HE MET 74 -0.073 3.093 8.603 554 3HE MET 74 3HE MET 74 -1.557 2.319 9.160 555 H SER 75 H SER 75 -4.059 -1.225 4.957 556 HA SER 75 HA SER 75 -2.875 0.050 2.690 557 1HB SER 75 2HB SER 75 -3.154 -2.158 1.598 558 2HB SER 75 1HB SER 75 -2.406 -2.307 3.188 559 HG SER 75 HG SER 75 -4.718 -3.361 2.284 560 H LEU 76 H LEU 76 -6.102 -0.799 3.708 561 HA LEU 76 HA LEU 76 -7.537 -0.834 1.404 562 1HB LEU 76 2HB LEU 76 -8.902 -1.229 3.129 563 2HB LEU 76 1HB LEU 76 -8.070 -0.110 4.182 564 HG LEU 76 HG LEU 76 -9.942 0.845 2.033 565 1HD1 LEU 76 1HD1 LEU 76 -11.261 -0.618 3.361 566 2HD1 LEU 76 2HD1 LEU 76 -11.593 1.023 3.919 567 3HD1 LEU 76 3HD1 LEU 76 -10.515 -0.024 4.843 568 1HD2 LEU 76 1HD2 LEU 76 -10.015 2.519 4.209 569 2HD2 LEU 76 2HD2 LEU 76 -9.067 2.768 2.743 570 3HD2 LEU 76 3HD2 LEU 76 -8.328 2.004 4.153 571 H GLN 77 H GLN 77 -6.532 2.123 3.127 572 HA GLN 77 HA GLN 77 -7.703 3.858 1.189 573 1HB GLN 77 2HB GLN 77 -5.454 4.584 3.070 574 2HB GLN 77 1HB GLN 77 -6.548 5.681 2.252 575 1HG GLN 77 2HG GLN 77 -7.712 5.701 4.125 576 2HG GLN 77 1HG GLN 77 -8.247 4.085 3.694 577 1HE2 GLN 77 1HE2 GLN 77 -5.498 3.018 4.054 578 2HE2 GLN 77 2HE2 GLN 77 -5.281 2.914 5.752 579 H TYR 78 H TYR 78 -4.712 2.138 1.429 580 HA TYR 78 HA TYR 78 -3.346 3.808 -0.472 581 1HB TYR 78 2HB TYR 78 -2.632 1.195 0.846 582 2HB TYR 78 1HB TYR 78 -1.593 1.987 -0.341 583 HD1 TYR 78 1HD TYR 78 -3.539 3.205 2.625 584 HD2 TYR 78 2HD TYR 78 0.230 2.942 0.672 585 HE1 TYR 78 1HE TYR 78 -2.524 4.536 4.421 586 HE2 TYR 78 2HE TYR 78 1.256 4.275 2.463 587 HH TYR 78 HH TYR 78 -0.368 4.970 5.400 588 H LEU 79 H LEU 79 -4.929 0.658 -0.481 589 HA LEU 79 HA LEU 79 -4.238 0.297 -3.274 590 1HB LEU 79 2HB LEU 79 -5.059 -1.931 -3.119 591 2HB LEU 79 1HB LEU 79 -3.980 -1.591 -1.798 592 HG LEU 79 HG LEU 79 -6.326 -2.923 -1.575 593 1HD1 LEU 79 1HD1 LEU 79 -5.076 -3.230 0.243 594 2HD1 LEU 79 2HD1 LEU 79 -6.044 -1.922 0.926 595 3HD1 LEU 79 3HD1 LEU 79 -4.464 -1.576 0.224 596 1HD2 LEU 79 1HD2 LEU 79 -7.905 -1.527 -0.357 597 2HD2 LEU 79 2HD2 LEU 79 -7.709 -0.971 -2.015 598 3HD2 LEU 79 3HD2 LEU 79 -6.918 -0.111 -0.697 599 H ILE 80 H ILE 80 -6.856 1.568 -1.564 600 HA ILE 80 HA ILE 80 -9.205 1.116 -2.448 601 HB ILE 80 HB ILE 80 -9.796 3.400 -2.786 602 1HG1 ILE 80 2HG1 ILE 80 -8.159 4.038 -4.452 603 2HG1 ILE 80 1HG1 ILE 80 -8.080 5.166 -3.101 604 1HG2 ILE 80 1HG2 ILE 80 -9.162 2.805 -0.521 605 2HG2 ILE 80 2HG2 ILE 80 -8.740 4.482 -0.871 606 3HG2 ILE 80 3HG2 ILE 80 -7.489 3.239 -0.872 607 1HD1 ILE 80 1HD1 ILE 80 -6.135 3.907 -2.242 608 2HD1 ILE 80 2HD1 ILE 80 -5.863 4.638 -3.823 609 3HD1 ILE 80 3HD1 ILE 80 -6.190 2.912 -3.691 610 H GLY 81 H GLY 81 -10.191 0.376 -4.111 611 1HA GLY 81 2HA GLY 81 -10.469 -0.452 -6.258 612 2HA GLY 81 1HA GLY 81 -10.733 1.263 -6.516 613 H GLY 82 H GLY 82 -7.569 -0.209 -5.853 614 1HA GLY 82 2HA GLY 82 -6.622 0.910 -8.380 615 2HA GLY 82 1HA GLY 82 -5.620 0.193 -7.119 616 H THR 83 H THR 83 -4.483 -1.101 -8.629 617 HA THR 83 HA THR 83 -5.909 -3.541 -9.331 618 HB THR 83 HB THR 83 -4.538 -1.767 -11.345 619 HG1 THR 83 1HG THR 83 -6.853 -1.636 -10.934 620 1HG2 THR 83 1HG2 THR 83 -3.730 -3.556 -12.378 621 2HG2 THR 83 2HG2 THR 83 -5.404 -3.983 -12.732 622 3HG2 THR 83 3HG2 THR 83 -4.601 -4.663 -11.314 623 H VAL 84 H VAL 84 -4.664 -5.330 -9.105 624 HA VAL 84 HA VAL 84 -1.769 -4.936 -8.800 625 HB VAL 84 HB VAL 84 -1.897 -5.461 -6.652 626 1HG1 VAL 84 1HG1 VAL 84 -4.715 -5.635 -7.279 627 2HG1 VAL 84 2HG1 VAL 84 -3.911 -5.009 -5.845 628 3HG1 VAL 84 3HG1 VAL 84 -4.241 -6.729 -5.990 629 1HG2 VAL 84 1HG2 VAL 84 -1.178 -7.620 -7.393 630 2HG2 VAL 84 2HG2 VAL 84 -2.841 -8.125 -7.683 631 3HG2 VAL 84 3HG2 VAL 84 -2.285 -7.827 -6.036 632 H ASP 85 H ASP 85 -0.436 -6.687 -9.307 633 HA ASP 85 HA ASP 85 -1.627 -9.084 -10.366 634 1HB ASP 85 2HB ASP 85 -0.185 -8.799 -12.517 635 2HB ASP 85 1HB ASP 85 -1.747 -7.987 -12.411 636 H TYR 86 H TYR 86 -0.218 -10.825 -10.450 637 HA TYR 86 HA TYR 86 2.463 -10.321 -9.346 638 1HB TYR 86 2HB TYR 86 0.382 -11.825 -8.259 639 2HB TYR 86 1HB TYR 86 1.494 -13.017 -8.916 640 HD1 TYR 86 1HD TYR 86 0.665 -11.315 -6.060 641 HD2 TYR 86 2HD TYR 86 4.084 -12.335 -8.368 642 HE1 TYR 86 1HE TYR 86 2.076 -11.068 -4.059 643 HE2 TYR 86 2HE TYR 86 5.514 -12.097 -6.379 644 HH TYR 86 HH TYR 86 5.103 -10.569 -3.997 645 H THR 87 H THR 87 4.178 -11.457 -10.179 646 HA THR 87 HA THR 87 3.734 -13.427 -12.257 647 HB THR 87 HB THR 87 5.174 -10.830 -12.806 648 HG1 THR 87 1HG THR 87 2.891 -11.995 -14.014 649 1HG2 THR 87 1HG2 THR 87 5.875 -11.596 -14.861 650 2HG2 THR 87 2HG2 THR 87 4.742 -12.946 -14.861 651 3HG2 THR 87 3HG2 THR 87 6.167 -12.991 -13.823 652 H GLU 88 H GLU 88 4.771 -14.866 -10.878 653 HA GLU 88 HA GLU 88 7.501 -14.272 -10.049 654 1HB GLU 88 2HB GLU 88 5.957 -16.803 -9.503 655 2HB GLU 88 1HB GLU 88 7.355 -16.182 -8.635 656 1HG GLU 88 2HG GLU 88 6.058 -15.068 -7.239 657 2HG GLU 88 1HG GLU 88 5.251 -14.246 -8.575 658 H GLY 89 H GLY 89 9.148 -16.018 -10.294 659 1HA GLY 89 2HA GLY 89 10.113 -17.793 -11.513 660 2HA GLY 89 1HA GLY 89 8.794 -17.678 -12.675 661 H LEU 90 H LEU 90 11.402 -17.920 -13.510 662 HA LEU 90 HA LEU 90 12.858 -17.043 -15.013 663 1HB LEU 90 2HB LEU 90 10.552 -15.168 -15.250 664 2HB LEU 90 1HB LEU 90 12.067 -14.751 -16.039 665 HG LEU 90 HG LEU 90 11.981 -16.760 -17.374 666 1HD1 LEU 90 1HD1 LEU 90 11.041 -18.514 -16.318 667 2HD1 LEU 90 2HD1 LEU 90 9.570 -17.936 -17.104 668 3HD1 LEU 90 3HD1 LEU 90 9.903 -17.501 -15.430 669 1HD2 LEU 90 1HD2 LEU 90 9.867 -16.326 -18.624 670 2HD2 LEU 90 2HD2 LEU 90 10.828 -14.887 -18.306 671 3HD2 LEU 90 3HD2 LEU 90 9.394 -15.223 -17.336 672 H GLU 91 H GLU 91 11.609 -14.025 -13.599 673 HA GLU 91 HA GLU 91 14.361 -13.296 -12.921 674 1HB GLU 91 2HB GLU 91 11.929 -11.517 -12.788 675 2HB GLU 91 1HB GLU 91 13.623 -11.032 -12.830 676 1HG GLU 91 2HG GLU 91 12.272 -12.474 -15.093 677 2HG GLU 91 1HG GLU 91 12.325 -10.717 -14.959 678 H GLY 92 H GLY 92 11.334 -14.156 -11.466 679 1HA GLY 92 2HA GLY 92 11.753 -15.022 -9.121 680 2HA GLY 92 1HA GLY 92 12.404 -13.413 -8.817 681 H SER 93 H SER 93 10.319 -14.512 -7.328 682 HA SER 93 HA SER 93 7.751 -13.798 -8.187 683 1HB SER 93 2HB SER 93 8.032 -15.289 -6.311 684 2HB SER 93 1HB SER 93 8.895 -14.051 -5.399 685 HG SER 93 HG SER 93 6.518 -14.423 -5.007 686 H ARG 94 H ARG 94 7.796 -11.747 -9.119 687 HA ARG 94 HA ARG 94 8.396 -9.510 -7.314 688 1HB ARG 94 2HB ARG 94 8.044 -8.187 -9.557 689 2HB ARG 94 1HB ARG 94 9.561 -9.011 -9.234 690 1HG ARG 94 2HG ARG 94 9.065 -9.532 -11.446 691 2HG ARG 94 1HG ARG 94 8.576 -10.969 -10.543 692 1HD ARG 94 2HD ARG 94 6.932 -10.296 -12.255 693 2HD ARG 94 1HD ARG 94 6.266 -10.283 -10.623 694 HE ARG 94 HE ARG 94 5.969 -8.017 -10.794 695 1HH1 ARG 94 1HH1 ARG 94 8.073 -9.088 -13.364 696 2HH1 ARG 94 2HH1 ARG 94 8.055 -7.562 -14.184 697 1HH2 ARG 94 1HH2 ARG 94 5.945 -6.009 -11.871 698 2HH2 ARG 94 2HH2 ARG 94 6.848 -5.814 -13.336 699 H PHE 95 H PHE 95 6.901 -7.768 -7.111 700 HA PHE 95 HA PHE 95 4.134 -8.466 -7.833 701 1HB PHE 95 2HB PHE 95 4.791 -8.900 -5.394 702 2HB PHE 95 1HB PHE 95 4.879 -7.150 -5.227 703 HD1 PHE 95 1HD PHE 95 2.422 -9.083 -7.224 704 HD2 PHE 95 2HD PHE 95 3.128 -6.733 -3.741 705 HE1 PHE 95 1HE PHE 95 0.009 -9.007 -6.786 706 HE2 PHE 95 2HE PHE 95 0.714 -6.659 -3.296 707 HZ PHE 95 HZ PHE 95 -0.848 -7.791 -4.828 708 H THR 96 H THR 96 2.908 -6.849 -8.646 709 HA THR 96 HA THR 96 3.846 -4.090 -8.314 710 HB THR 96 HB THR 96 2.901 -4.851 -11.029 711 HG1 THR 96 1HG THR 96 5.483 -5.434 -10.021 712 1HG2 THR 96 1HG2 THR 96 3.372 -2.585 -10.867 713 2HG2 THR 96 2HG2 THR 96 4.820 -3.269 -11.608 714 3HG2 THR 96 3HG2 THR 96 4.819 -2.857 -9.891 715 H VAL 97 H VAL 97 2.268 -2.722 -7.860 716 HA VAL 97 HA VAL 97 -0.499 -3.459 -8.564 717 HB VAL 97 HB VAL 97 0.178 -1.964 -6.042 718 1HG1 VAL 97 1HG1 VAL 97 -2.236 -3.396 -7.101 719 2HG1 VAL 97 2HG1 VAL 97 -2.089 -1.726 -6.546 720 3HG1 VAL 97 3HG1 VAL 97 -2.040 -3.051 -5.383 721 1HG2 VAL 97 1HG2 VAL 97 0.847 -4.664 -6.537 722 2HG2 VAL 97 2HG2 VAL 97 -0.554 -4.662 -5.468 723 3HG2 VAL 97 3HG2 VAL 97 0.902 -3.784 -5.012 724 H ASN 98 H ASN 98 -1.994 -1.526 -8.492 725 HA ASN 98 HA ASN 98 -0.596 0.966 -9.175 726 1HB ASN 98 2HB ASN 98 -2.724 -0.431 -10.797 727 2HB ASN 98 1HB ASN 98 -2.344 1.281 -11.002 728 1HD2 ASN 98 1HD2 ASN 98 -1.751 -1.703 -12.187 729 2HD2 ASN 98 2HD2 ASN 98 -0.209 -1.436 -12.908 730 H ASN 99 H ASN 99 -1.835 2.886 -8.926 731 HA ASN 99 HA ASN 99 -4.475 3.045 -8.068 732 1HB ASN 99 2HB ASN 99 -3.724 3.728 -5.583 733 2HB ASN 99 1HB ASN 99 -4.246 2.099 -6.005 734 1HD2 ASN 99 1HD2 ASN 99 -3.051 1.377 -4.197 735 2HD2 ASN 99 2HD2 ASN 99 -1.340 1.175 -4.288 736 HA PRO 100 HA PRO 100 -3.832 7.355 -8.579 737 1HB PRO 100 2HB PRO 100 -5.127 8.476 -6.419 738 2HB PRO 100 1HB PRO 100 -5.932 7.901 -7.885 739 1HG PRO 100 2HG PRO 100 -5.599 6.539 -5.244 740 2HG PRO 100 1HG PRO 100 -7.013 6.582 -6.315 741 1HD PRO 100 2HD PRO 100 -5.405 4.439 -6.202 742 2HD PRO 100 1HD PRO 100 -6.148 4.960 -7.727 743 H ASN 101 H ASN 101 -3.506 6.579 -5.113 744 HA ASN 101 HA ASN 101 -1.821 8.678 -4.428 745 1HB ASN 101 2HB ASN 101 -1.416 7.561 -2.406 746 2HB ASN 101 1HB ASN 101 -2.999 6.966 -2.904 747 1HD2 ASN 101 1HD2 ASN 101 -2.917 4.916 -4.224 748 2HD2 ASN 101 2HD2 ASN 101 -1.813 3.696 -3.688 749 H ALA 102 H ALA 102 -1.050 5.536 -5.818 750 HA ALA 102 HA ALA 102 1.703 5.504 -5.494 751 1HB ALA 102 1HB ALA 102 1.525 4.284 -7.851 752 2HB ALA 102 2HB ALA 102 -0.185 4.286 -7.422 753 3HB ALA 102 3HB ALA 102 0.992 3.528 -6.350 754 H THR 103 H THR 103 -0.237 7.455 -7.612 755 HA THR 103 HA THR 103 0.255 9.017 -9.193 756 HB THR 103 HB THR 103 2.099 10.506 -8.680 757 HG1 THR 103 1HG THR 103 2.957 8.698 -6.689 758 1HG2 THR 103 1HG2 THR 103 1.760 10.484 -6.012 759 2HG2 THR 103 2HG2 THR 103 0.343 9.567 -6.527 760 3HG2 THR 103 3HG2 THR 103 0.617 11.193 -7.152 761 H SER 104 H SER 104 0.959 6.336 -9.873 762 HA SER 104 HA SER 104 3.439 6.651 -11.407 763 1HB SER 104 2HB SER 104 2.642 4.554 -9.898 764 2HB SER 104 1HB SER 104 1.994 4.065 -11.465 765 HG SER 104 HG SER 104 4.213 3.401 -10.993 766 H THR 105 H THR 105 3.104 5.023 -13.510 767 HA THR 105 HA THR 105 0.686 5.921 -14.908 768 HB THR 105 HB THR 105 2.174 6.312 -16.945 769 HG1 THR 105 1HG THR 105 4.333 6.749 -16.505 770 1HG2 THR 105 1HG2 THR 105 1.558 8.370 -16.348 771 2HG2 THR 105 2HG2 THR 105 3.188 8.491 -15.685 772 3HG2 THR 105 3HG2 THR 105 1.838 8.066 -14.634 773 H CYS 106 H CYS 106 -0.093 3.792 -14.713 774 HA CYS 106 HA CYS 106 0.484 2.091 -16.866 775 1HB CYS 106 2HB CYS 106 2.212 1.743 -14.604 776 2HB CYS 106 1HB CYS 106 1.198 0.314 -14.774 777 HG CYS 106 HG CYS 106 3.563 0.438 -16.231 778 H GLY 107 H GLY 107 -1.807 2.321 -16.907 779 1HA GLY 107 2HA GLY 107 -3.240 0.865 -14.782 780 2HA GLY 107 1HA GLY 107 -3.965 2.049 -15.865 781 H CYS 108 H CYS 108 -1.857 0.003 -17.532 782 HA CYS 108 HA CYS 108 -2.185 -1.625 -19.081 783 1HB CYS 108 2HB CYS 108 -3.295 -2.552 -16.671 784 2HB CYS 108 1HB CYS 108 -4.466 -2.966 -17.918 785 HG CYS 108 HG CYS 108 -1.564 -4.053 -17.790 786 H GLY 109 H GLY 109 -4.299 -2.908 -20.155 787 1HA GLY 109 2HA GLY 109 -6.261 -0.822 -20.840 788 2HA GLY 109 1HA GLY 109 -5.364 -1.628 -22.125 789 H SER 110 H SER 110 -8.089 -1.732 -20.110 790 HA SER 110 HA SER 110 -8.580 -4.552 -20.268 791 1HB SER 110 2HB SER 110 -11.009 -3.565 -19.669 792 2HB SER 110 1HB SER 110 -9.731 -3.744 -18.467 793 HG SER 110 HG SER 110 -10.156 -1.381 -19.976 794 H SER 111 H SER 111 -9.406 -5.650 -21.916 795 HA SER 111 HA SER 111 -11.165 -4.291 -23.820 796 1HB SER 111 2HB SER 111 -8.644 -5.793 -24.531 797 2HB SER 111 1HB SER 111 -9.928 -5.480 -25.698 798 HG SER 111 HG SER 111 -8.123 -3.906 -25.551 799 H PHE 112 H PHE 112 -12.796 -5.539 -24.587 800 HA PHE 112 HA PHE 112 -12.761 -8.397 -23.869 801 1HB PHE 112 2HB PHE 112 -15.201 -6.615 -23.847 802 2HB PHE 112 1HB PHE 112 -15.110 -8.293 -23.325 803 HD1 PHE 112 1HD PHE 112 -14.789 -8.767 -21.089 804 HD2 PHE 112 2HD PHE 112 -13.664 -4.943 -22.580 805 HE1 PHE 112 1HE PHE 112 -14.285 -8.026 -18.798 806 HE2 PHE 112 2HE PHE 112 -13.159 -4.194 -20.292 807 HZ PHE 112 HZ PHE 112 -13.469 -5.737 -18.396 808 H SER 113 H SER 113 -15.026 -9.258 -25.031 809 HA SER 113 HA SER 113 -14.955 -8.394 -27.825 810 1HB SER 113 2HB SER 113 -14.609 -11.253 -26.896 811 2HB SER 113 1HB SER 113 -14.912 -10.774 -28.567 812 HG SER 113 HG SER 113 -12.954 -9.418 -28.272 813 H ILE 114 H ILE 114 -16.778 -9.216 -29.075 814 HA ILE 114 HA ILE 114 -19.221 -8.687 -27.978 815 HB ILE 114 HB ILE 114 -20.244 -9.698 -29.897 816 1HG1 ILE 114 2HG1 ILE 114 -18.976 -11.845 -29.817 817 2HG1 ILE 114 1HG1 ILE 114 -19.086 -11.162 -31.435 818 1HG2 ILE 114 1HG2 ILE 114 -19.146 -8.518 -31.635 819 2HG2 ILE 114 2HG2 ILE 114 -17.590 -8.624 -30.812 820 3HG2 ILE 114 3HG2 ILE 114 -18.872 -7.610 -30.148 821 1HD1 ILE 114 1HD1 ILE 114 -16.716 -11.261 -29.606 822 2HD1 ILE 114 2HD1 ILE 114 -16.784 -10.178 -30.996 823 3HD1 ILE 114 3HD1 ILE 114 -16.888 -11.913 -31.229 Start of MODEL 16 1 1H MET 1 1HT MET 1 -22.949 -14.395 3.382 2 2H MET 1 2HT MET 1 -21.891 -13.045 3.365 3 3H MET 1 3HT MET 1 -21.515 -14.448 2.454 4 HA MET 1 HA MET 1 -23.320 -14.096 1.019 5 1HB MET 1 2HB MET 1 -24.047 -12.192 3.174 6 2HB MET 1 1HB MET 1 -24.421 -11.680 1.533 7 1HG MET 1 2HG MET 1 -25.317 -14.295 1.639 8 2HG MET 1 1HG MET 1 -25.725 -13.635 3.217 9 1HE MET 1 1HE MET 1 -27.620 -12.679 -0.804 10 2HE MET 1 2HE MET 1 -26.738 -14.123 -0.308 11 3HE MET 1 3HE MET 1 -25.859 -12.633 -0.663 12 H ILE 2 H ILE 2 -23.664 -11.815 -0.308 13 HA ILE 2 HA ILE 2 -20.928 -10.991 -0.917 14 HB ILE 2 HB ILE 2 -23.010 -9.992 -2.713 15 1HG1 ILE 2 2HG1 ILE 2 -24.123 -12.085 -2.173 16 2HG1 ILE 2 1HG1 ILE 2 -23.438 -12.175 -3.793 17 1HG2 ILE 2 1HG2 ILE 2 -20.351 -10.340 -2.851 18 2HG2 ILE 2 2HG2 ILE 2 -21.402 -10.248 -4.265 19 3HG2 ILE 2 3HG2 ILE 2 -20.890 -11.818 -3.648 20 1HD1 ILE 2 1HD1 ILE 2 -22.748 -14.183 -3.045 21 2HD1 ILE 2 2HD1 ILE 2 -22.751 -13.678 -1.355 22 3HD1 ILE 2 3HD1 ILE 2 -21.413 -13.228 -2.408 23 H ASP 3 H ASP 3 -21.528 -8.635 -2.270 24 HA ASP 3 HA ASP 3 -22.140 -6.418 -2.032 25 1HB ASP 3 2HB ASP 3 -23.947 -7.401 -0.354 26 2HB ASP 3 1HB ASP 3 -22.862 -6.708 0.849 27 H ASP 4 H ASP 4 -20.626 -7.992 0.754 28 HA ASP 4 HA ASP 4 -19.013 -5.722 1.414 29 1HB ASP 4 2HB ASP 4 -18.796 -8.616 2.262 30 2HB ASP 4 1HB ASP 4 -17.904 -7.278 2.983 31 H MET 5 H MET 5 -18.531 -8.783 -0.270 32 HA MET 5 HA MET 5 -15.766 -8.622 -0.650 33 1HB MET 5 2HB MET 5 -17.858 -9.897 -2.416 34 2HB MET 5 1HB MET 5 -16.124 -10.166 -2.557 35 1HG MET 5 2HG MET 5 -17.953 -10.974 -0.329 36 2HG MET 5 1HG MET 5 -16.990 -12.005 -1.376 37 1HE MET 5 1HE MET 5 -15.770 -8.806 1.206 38 2HE MET 5 2HE MET 5 -15.981 -10.000 2.484 39 3HE MET 5 3HE MET 5 -17.315 -9.638 1.386 40 H ALA 6 H ALA 6 -14.645 -8.305 -2.734 41 HA ALA 6 HA ALA 6 -13.940 -6.874 -4.367 42 1HB ALA 6 1HB ALA 6 -16.075 -7.837 -5.391 43 2HB ALA 6 2HB ALA 6 -15.460 -6.330 -6.071 44 3HB ALA 6 3HB ALA 6 -16.829 -6.303 -4.959 45 H VAL 7 H VAL 7 -13.890 -5.867 -1.895 46 HA VAL 7 HA VAL 7 -15.320 -3.416 -1.676 47 HB VAL 7 HB VAL 7 -13.121 -3.464 0.168 48 1HG1 VAL 7 1HG1 VAL 7 -15.601 -4.084 1.379 49 2HG1 VAL 7 2HG1 VAL 7 -15.905 -2.945 0.071 50 3HG1 VAL 7 3HG1 VAL 7 -14.749 -2.551 1.334 51 1HG2 VAL 7 1HG2 VAL 7 -12.926 -5.811 0.008 52 2HG2 VAL 7 2HG2 VAL 7 -14.670 -6.027 -0.115 53 3HG2 VAL 7 3HG2 VAL 7 -13.952 -5.515 1.411 54 HA PRO 8 HA PRO 8 -11.479 -1.062 -2.758 55 1HB PRO 8 2HB PRO 8 -9.192 -1.523 -1.613 56 2HB PRO 8 1HB PRO 8 -10.616 -1.384 -0.576 57 1HG PRO 8 2HG PRO 8 -9.184 -3.851 -1.488 58 2HG PRO 8 1HG PRO 8 -9.864 -3.482 0.108 59 1HD PRO 8 2HD PRO 8 -11.128 -4.905 -2.022 60 2HD PRO 8 1HD PRO 8 -11.855 -4.388 -0.492 61 H LEU 9 H LEU 9 -8.535 -2.300 -2.843 62 HA LEU 9 HA LEU 9 -8.136 -2.255 -5.576 63 1HB LEU 9 2HB LEU 9 -6.472 -1.937 -3.742 64 2HB LEU 9 1HB LEU 9 -6.482 -3.668 -3.487 65 HG LEU 9 HG LEU 9 -4.731 -3.770 -4.860 66 1HD1 LEU 9 1HD1 LEU 9 -6.172 -4.591 -6.517 67 2HD1 LEU 9 2HD1 LEU 9 -5.127 -3.424 -7.318 68 3HD1 LEU 9 3HD1 LEU 9 -6.777 -2.981 -6.897 69 1HD2 LEU 9 1HD2 LEU 9 -4.075 -1.783 -6.306 70 2HD2 LEU 9 2HD2 LEU 9 -4.064 -1.554 -4.559 71 3HD2 LEU 9 3HD2 LEU 9 -5.400 -0.933 -5.523 72 H THR 10 H THR 10 -8.390 -3.672 -7.164 73 HA THR 10 HA THR 10 -8.973 -6.473 -6.510 74 HB THR 10 HB THR 10 -9.532 -4.826 -8.980 75 HG1 THR 10 1HG THR 10 -11.193 -6.105 -7.074 76 1HG2 THR 10 1HG2 THR 10 -10.877 -7.269 -9.171 77 2HG2 THR 10 2HG2 THR 10 -9.196 -7.661 -8.797 78 3HG2 THR 10 3HG2 THR 10 -9.579 -6.664 -10.201 79 H PHE 11 H PHE 11 -7.407 -7.903 -6.823 80 HA PHE 11 HA PHE 11 -4.991 -7.136 -8.244 81 1HB PHE 11 2HB PHE 11 -3.979 -9.021 -7.204 82 2HB PHE 11 1HB PHE 11 -5.012 -8.287 -5.986 83 HD1 PHE 11 1HD PHE 11 -4.270 -11.164 -7.915 84 HD2 PHE 11 2HD PHE 11 -7.236 -9.327 -5.508 85 HE1 PHE 11 1HE PHE 11 -5.358 -13.334 -7.640 86 HE2 PHE 11 2HE PHE 11 -8.363 -11.498 -5.222 87 HZ PHE 11 HZ PHE 11 -7.421 -13.505 -6.297 88 H THR 12 H THR 12 -3.941 -9.213 -9.402 89 HA THR 12 HA THR 12 -5.699 -9.720 -11.660 90 HB THR 12 HB THR 12 -3.231 -9.084 -11.825 91 HG1 THR 12 1HG THR 12 -3.182 -11.205 -13.396 92 1HG2 THR 12 1HG2 THR 12 -1.584 -10.797 -11.741 93 2HG2 THR 12 2HG2 THR 12 -2.793 -12.015 -11.348 94 3HG2 THR 12 3HG2 THR 12 -2.405 -10.757 -10.181 95 H ASP 13 H ASP 13 -4.570 -12.217 -12.494 96 HA ASP 13 HA ASP 13 -6.126 -14.000 -10.793 97 1HB ASP 13 2HB ASP 13 -4.818 -14.456 -13.482 98 2HB ASP 13 1HB ASP 13 -5.834 -15.624 -12.642 99 H ALA 14 H ALA 14 -2.871 -13.677 -12.086 100 HA ALA 14 HA ALA 14 -1.777 -16.009 -11.006 101 1HB ALA 14 1HB ALA 14 0.357 -15.089 -11.512 102 2HB ALA 14 2HB ALA 14 -0.272 -13.441 -11.465 103 3HB ALA 14 3HB ALA 14 -0.755 -14.532 -12.763 104 H ALA 15 H ALA 15 -2.083 -12.749 -9.621 105 HA ALA 15 HA ALA 15 -0.514 -13.140 -7.357 106 1HB ALA 15 1HB ALA 15 -1.201 -11.083 -6.862 107 2HB ALA 15 2HB ALA 15 -2.862 -11.633 -6.666 108 3HB ALA 15 3HB ALA 15 -2.272 -11.151 -8.262 109 H ALA 16 H ALA 16 -3.641 -14.318 -8.236 110 HA ALA 16 HA ALA 16 -4.379 -15.306 -5.642 111 1HB ALA 16 1HB ALA 16 -5.997 -14.843 -7.522 112 2HB ALA 16 2HB ALA 16 -6.168 -16.428 -6.777 113 3HB ALA 16 3HB ALA 16 -5.342 -16.265 -8.329 114 H ASN 17 H ASN 17 -2.945 -16.547 -8.563 115 HA ASN 17 HA ASN 17 -2.780 -19.230 -7.998 116 1HB ASN 17 2HB ASN 17 -1.136 -17.375 -9.683 117 2HB ASN 17 1HB ASN 17 -0.667 -19.059 -9.520 118 1HD2 ASN 17 1HD2 ASN 17 -3.620 -17.181 -10.081 119 2HD2 ASN 17 2HD2 ASN 17 -4.184 -18.152 -11.390 120 H LYS 18 H LYS 18 -0.295 -16.732 -7.307 121 HA LYS 18 HA LYS 18 1.594 -18.439 -6.198 122 1HB LYS 18 2HB LYS 18 2.482 -16.494 -5.006 123 2HB LYS 18 1HB LYS 18 2.081 -16.090 -6.670 124 1HG LYS 18 2HG LYS 18 1.219 -14.281 -5.595 125 2HG LYS 18 1HG LYS 18 -0.188 -15.339 -5.605 126 1HD LYS 18 2HD LYS 18 -0.012 -14.429 -3.414 127 2HD LYS 18 1HD LYS 18 0.499 -16.112 -3.310 128 1HE LYS 18 2HE LYS 18 2.222 -15.240 -2.178 129 2HE LYS 18 1HE LYS 18 2.863 -14.931 -3.790 130 1HZ LYS 18 1HZ LYS 18 2.992 -12.824 -3.116 131 2HZ LYS 18 2HZ LYS 18 1.982 -13.077 -1.783 132 3HZ LYS 18 3HZ LYS 18 1.311 -12.762 -3.302 133 H VAL 19 H VAL 19 -1.309 -17.042 -4.820 134 HA VAL 19 HA VAL 19 -0.727 -17.891 -2.148 135 HB VAL 19 HB VAL 19 -3.359 -17.049 -3.358 136 1HG1 VAL 19 1HG1 VAL 19 -2.652 -18.014 -0.739 137 2HG1 VAL 19 2HG1 VAL 19 -4.240 -17.640 -1.405 138 3HG1 VAL 19 3HG1 VAL 19 -3.275 -16.368 -0.655 139 1HG2 VAL 19 1HG2 VAL 19 -1.732 -15.302 -3.631 140 2HG2 VAL 19 2HG2 VAL 19 -1.225 -15.451 -1.951 141 3HG2 VAL 19 3HG2 VAL 19 -2.835 -14.851 -2.334 142 H LYS 20 H LYS 20 -3.429 -18.843 -4.252 143 HA LYS 20 HA LYS 20 -4.184 -21.111 -2.873 144 1HB LYS 20 2HB LYS 20 -5.063 -21.873 -5.159 145 2HB LYS 20 1HB LYS 20 -5.683 -20.371 -4.502 146 1HG LYS 20 2HG LYS 20 -5.055 -19.302 -6.323 147 2HG LYS 20 1HG LYS 20 -3.379 -19.783 -6.043 148 1HD LYS 20 2HD LYS 20 -5.439 -21.482 -7.447 149 2HD LYS 20 1HD LYS 20 -4.241 -20.471 -8.261 150 1HE LYS 20 2HE LYS 20 -2.513 -21.783 -6.879 151 2HE LYS 20 1HE LYS 20 -3.819 -22.931 -6.598 152 1HZ LYS 20 1HZ LYS 20 -2.323 -23.412 -8.537 153 2HZ LYS 20 2HZ LYS 20 -3.002 -22.077 -9.314 154 3HZ LYS 20 3HZ LYS 20 -3.978 -23.391 -8.890 155 H SER 21 H SER 21 -1.428 -20.693 -4.890 156 HA SER 21 HA SER 21 -1.172 -23.509 -5.419 157 1HB SER 21 2HB SER 21 -0.535 -21.815 -7.121 158 2HB SER 21 1HB SER 21 0.790 -21.312 -6.070 159 HG SER 21 HG SER 21 0.456 -23.689 -7.517 160 H LEU 22 H LEU 22 0.589 -21.085 -3.507 161 HA LEU 22 HA LEU 22 2.398 -23.118 -2.546 162 1HB LEU 22 2HB LEU 22 3.739 -21.450 -1.901 163 2HB LEU 22 1HB LEU 22 2.702 -20.458 -2.906 164 HG LEU 22 HG LEU 22 3.168 -19.363 -0.804 165 1HD1 LEU 22 1HD1 LEU 22 1.136 -18.702 -1.655 166 2HD1 LEU 22 2HD1 LEU 22 0.741 -19.164 -0.003 167 3HD1 LEU 22 3HD1 LEU 22 0.377 -20.246 -1.333 168 1HD2 LEU 22 1HD2 LEU 22 3.053 -20.295 1.231 169 2HD2 LEU 22 2HD2 LEU 22 3.119 -21.817 0.354 170 3HD2 LEU 22 3HD2 LEU 22 1.561 -21.167 0.865 171 H ILE 23 H ILE 23 -0.594 -21.709 -1.550 172 HA ILE 23 HA ILE 23 -0.383 -22.425 1.192 173 HB ILE 23 HB ILE 23 -2.824 -22.071 1.244 174 1HG1 ILE 23 2HG1 ILE 23 -3.438 -20.807 -1.076 175 2HG1 ILE 23 1HG1 ILE 23 -2.396 -22.099 -1.667 176 1HG2 ILE 23 1HG2 ILE 23 -0.833 -20.113 0.330 177 2HG2 ILE 23 2HG2 ILE 23 -1.869 -20.091 1.750 178 3HG2 ILE 23 3HG2 ILE 23 -2.516 -19.628 0.174 179 1HD1 ILE 23 1HD1 ILE 23 -4.137 -23.461 -1.604 180 2HD1 ILE 23 2HD1 ILE 23 -5.131 -22.219 -0.851 181 3HD1 ILE 23 3HD1 ILE 23 -4.160 -23.298 0.151 182 H SER 24 H SER 24 -1.992 -23.819 -1.626 183 HA SER 24 HA SER 24 -3.030 -26.093 -0.371 184 1HB SER 24 2HB SER 24 -2.531 -25.197 -3.135 185 2HB SER 24 1HB SER 24 -2.503 -26.950 -2.923 186 HG SER 24 HG SER 24 -4.598 -25.362 -1.885 187 H GLU 25 H GLU 25 0.122 -25.170 -1.323 188 HA GLU 25 HA GLU 25 1.230 -27.823 -1.317 189 1HB GLU 25 2HB GLU 25 2.021 -25.301 -2.306 190 2HB GLU 25 1HB GLU 25 3.210 -25.744 -1.088 191 1HG GLU 25 2HG GLU 25 3.374 -27.980 -2.278 192 2HG GLU 25 1HG GLU 25 2.471 -27.219 -3.588 193 H GLU 26 H GLU 26 0.521 -25.349 0.964 194 HA GLU 26 HA GLU 26 2.508 -26.176 2.870 195 1HB GLU 26 2HB GLU 26 0.099 -24.407 3.207 196 2HB GLU 26 1HB GLU 26 1.380 -24.610 4.382 197 1HG GLU 26 2HG GLU 26 2.478 -23.863 1.845 198 2HG GLU 26 1HG GLU 26 1.215 -22.732 2.313 199 H GLU 27 H GLU 27 -0.580 -27.160 1.890 200 HA GLU 27 HA GLU 27 -1.793 -28.985 2.519 201 1HB GLU 27 2HB GLU 27 0.579 -29.560 3.744 202 2HB GLU 27 1HB GLU 27 -0.499 -29.445 5.127 203 1HG GLU 27 2HG GLU 27 -1.479 -31.388 4.669 204 2HG GLU 27 1HG GLU 27 -1.628 -31.005 2.957 205 H ASN 28 H ASN 28 -1.736 -26.055 3.650 206 HA ASN 28 HA ASN 28 -2.987 -26.060 6.149 207 1HB ASN 28 2HB ASN 28 -3.969 -24.075 4.174 208 2HB ASN 28 1HB ASN 28 -3.444 -23.842 5.834 209 1HD2 ASN 28 1HD2 ASN 28 -2.704 -23.444 2.630 210 2HD2 ASN 28 2HD2 ASN 28 -1.047 -23.016 2.802 211 H THR 29 H THR 29 -4.627 -25.445 3.075 212 HA THR 29 HA THR 29 -6.496 -27.398 2.962 213 HB THR 29 HB THR 29 -7.322 -27.159 5.134 214 HG1 THR 29 1HG THR 29 -8.963 -26.892 3.417 215 1HG2 THR 29 1HG2 THR 29 -8.044 -24.402 5.321 216 2HG2 THR 29 2HG2 THR 29 -6.316 -24.544 4.989 217 3HG2 THR 29 3HG2 THR 29 -7.025 -25.360 6.381 218 H ASP 30 H ASP 30 -6.478 -23.849 3.158 219 HA ASP 30 HA ASP 30 -6.904 -23.312 0.479 220 1HB ASP 30 2HB ASP 30 -9.311 -24.231 1.793 221 2HB ASP 30 1HB ASP 30 -9.503 -22.556 1.278 222 H LEU 31 H LEU 31 -5.308 -22.095 1.806 223 HA LEU 31 HA LEU 31 -5.945 -20.150 3.640 224 1HB LEU 31 2HB LEU 31 -3.721 -21.007 2.138 225 2HB LEU 31 1HB LEU 31 -3.773 -19.268 2.045 226 HG LEU 31 HG LEU 31 -2.387 -19.858 3.881 227 1HD1 LEU 31 1HD1 LEU 31 -3.430 -18.673 5.625 228 2HD1 LEU 31 2HD1 LEU 31 -5.036 -19.189 5.114 229 3HD1 LEU 31 3HD1 LEU 31 -4.130 -18.039 4.135 230 1HD2 LEU 31 1HD2 LEU 31 -4.307 -21.214 5.557 231 2HD2 LEU 31 2HD2 LEU 31 -2.666 -21.684 5.115 232 3HD2 LEU 31 3HD2 LEU 31 -4.025 -22.105 4.067 233 H LYS 32 H LYS 32 -6.009 -17.926 3.517 234 HA LYS 32 HA LYS 32 -7.040 -16.833 0.986 235 1HB LYS 32 2HB LYS 32 -7.723 -15.792 3.734 236 2HB LYS 32 1HB LYS 32 -8.534 -15.445 2.216 237 1HG LYS 32 2HG LYS 32 -9.549 -17.561 2.148 238 2HG LYS 32 1HG LYS 32 -8.482 -18.200 3.399 239 1HD LYS 32 2HD LYS 32 -10.722 -17.743 4.271 240 2HD LYS 32 1HD LYS 32 -9.508 -16.727 5.047 241 1HE LYS 32 2HE LYS 32 -10.118 -14.962 3.313 242 2HE LYS 32 1HE LYS 32 -11.528 -15.964 2.956 243 1HZ LYS 32 1HZ LYS 32 -10.936 -14.344 5.306 244 2HZ LYS 32 2HZ LYS 32 -11.741 -15.808 5.576 245 3HZ LYS 32 3HZ LYS 32 -12.415 -14.651 4.543 246 H LEU 33 H LEU 33 -5.808 -15.253 0.140 247 HA LEU 33 HA LEU 33 -3.408 -14.441 1.269 248 1HB LEU 33 2HB LEU 33 -4.210 -14.335 -1.157 249 2HB LEU 33 1HB LEU 33 -4.988 -12.830 -0.720 250 HG LEU 33 HG LEU 33 -2.745 -12.639 -1.851 251 1HD1 LEU 33 1HD1 LEU 33 -3.739 -11.251 0.495 252 2HD1 LEU 33 2HD1 LEU 33 -3.074 -10.613 -0.997 253 3HD1 LEU 33 3HD1 LEU 33 -1.994 -11.104 0.307 254 1HD2 LEU 33 1HD2 LEU 33 -0.910 -13.572 -1.007 255 2HD2 LEU 33 2HD2 LEU 33 -1.967 -14.476 0.075 256 3HD2 LEU 33 3HD2 LEU 33 -1.251 -12.956 0.608 257 H ARG 34 H ARG 34 -2.742 -12.574 2.297 258 HA ARG 34 HA ARG 34 -4.771 -10.653 3.108 259 1HB ARG 34 2HB ARG 34 -4.687 -12.285 4.934 260 2HB ARG 34 1HB ARG 34 -2.948 -12.064 5.061 261 1HG ARG 34 2HG ARG 34 -4.102 -9.506 5.274 262 2HG ARG 34 1HG ARG 34 -5.054 -10.583 6.297 263 1HD ARG 34 2HD ARG 34 -3.381 -10.858 7.772 264 2HD ARG 34 1HD ARG 34 -2.153 -10.956 6.510 265 HE ARG 34 HE ARG 34 -2.796 -8.340 6.506 266 1HH1 ARG 34 1HH1 ARG 34 -1.916 -10.540 9.064 267 2HH1 ARG 34 2HH1 ARG 34 -1.186 -9.308 10.036 268 1HH2 ARG 34 1HH2 ARG 34 -1.834 -6.721 7.785 269 2HH2 ARG 34 2HH2 ARG 34 -1.140 -7.142 9.310 270 H VAL 35 H VAL 35 -3.944 -9.001 2.054 271 HA VAL 35 HA VAL 35 -1.145 -8.509 1.820 272 HB VAL 35 HB VAL 35 -3.326 -6.538 1.239 273 1HG1 VAL 35 1HG1 VAL 35 -0.545 -6.963 0.170 274 2HG1 VAL 35 2HG1 VAL 35 -1.153 -5.580 1.078 275 3HG1 VAL 35 3HG1 VAL 35 -1.718 -5.871 -0.566 276 1HG2 VAL 35 1HG2 VAL 35 -4.037 -8.511 0.171 277 2HG2 VAL 35 2HG2 VAL 35 -2.409 -8.877 -0.402 278 3HG2 VAL 35 3HG2 VAL 35 -3.298 -7.504 -1.069 279 H TYR 36 H TYR 36 -0.038 -6.663 2.440 280 HA TYR 36 HA TYR 36 -1.093 -5.043 4.617 281 1HB TYR 36 2HB TYR 36 1.357 -5.410 5.643 282 2HB TYR 36 1HB TYR 36 -0.012 -6.417 6.098 283 HD1 TYR 36 1HD TYR 36 -0.348 -8.573 4.647 284 HD2 TYR 36 2HD TYR 36 3.311 -6.424 4.929 285 HE1 TYR 36 1HE TYR 36 0.874 -10.573 3.918 286 HE2 TYR 36 2HE TYR 36 4.546 -8.420 4.198 287 HH TYR 36 HH TYR 36 3.469 -11.389 4.307 288 H ILE 37 H ILE 37 0.817 -3.366 5.177 289 HA ILE 37 HA ILE 37 1.473 -2.206 2.590 290 HB ILE 37 HB ILE 37 1.547 -1.099 5.390 291 1HG1 ILE 37 2HG1 ILE 37 -0.645 -1.200 4.314 292 2HG1 ILE 37 1HG1 ILE 37 -0.110 0.477 4.449 293 1HG2 ILE 37 1HG2 ILE 37 2.923 -0.153 2.960 294 2HG2 ILE 37 2HG2 ILE 37 3.296 0.133 4.661 295 3HG2 ILE 37 3HG2 ILE 37 2.026 1.067 3.869 296 1HD1 ILE 37 1HD1 ILE 37 -0.915 0.440 2.316 297 2HD1 ILE 37 2HD1 ILE 37 -0.423 -1.230 2.039 298 3HD1 ILE 37 3HD1 ILE 37 0.782 0.058 2.028 299 H THR 38 H THR 38 3.289 -2.870 1.683 300 HA THR 38 HA THR 38 5.707 -3.059 3.356 301 HB THR 38 HB THR 38 4.874 -4.818 1.049 302 HG1 THR 38 1HG THR 38 4.026 -5.247 3.194 303 1HG2 THR 38 1HG2 THR 38 7.525 -4.379 2.233 304 2HG2 THR 38 2HG2 THR 38 7.070 -5.001 0.647 305 3HG2 THR 38 3HG2 THR 38 7.027 -6.062 2.055 306 H GLY 39 H GLY 39 4.333 -2.131 0.258 307 1HA GLY 39 2HA GLY 39 6.930 -0.968 -0.511 308 2HA GLY 39 1HA GLY 39 5.645 -1.398 -1.637 309 H GLY 40 H GLY 40 6.497 0.965 -2.125 310 1HA GLY 40 2HA GLY 40 5.083 2.896 -2.533 311 2HA GLY 40 1HA GLY 40 4.512 2.753 -0.875 312 H GLY 41 H GLY 41 7.392 3.489 -2.824 313 1HA GLY 41 2HA GLY 41 8.976 4.513 -0.741 314 2HA GLY 41 1HA GLY 41 9.117 4.961 -2.437 315 H CYS 42 H CYS 42 6.212 5.790 -2.338 316 HA CYS 42 HA CYS 42 6.421 8.235 -0.740 317 1HB CYS 42 2HB CYS 42 6.193 8.026 -3.694 318 2HB CYS 42 1HB CYS 42 5.203 9.252 -2.908 319 HG CYS 42 HG CYS 42 7.543 10.165 -1.893 320 H SER 43 H SER 43 4.408 5.974 -2.556 321 HA SER 43 HA SER 43 2.143 6.740 -0.845 322 1HB SER 43 2HB SER 43 2.292 7.101 -3.635 323 2HB SER 43 1HB SER 43 1.217 5.726 -3.380 324 HG SER 43 HG SER 43 0.891 8.393 -2.699 325 H GLY 44 H GLY 44 2.555 4.260 -3.368 326 1HA GLY 44 2HA GLY 44 3.121 2.008 -1.996 327 2HA GLY 44 1HA GLY 44 1.431 2.263 -1.595 328 H PHE 45 H PHE 45 3.325 0.505 -3.524 329 HA PHE 45 HA PHE 45 1.188 0.171 -5.475 330 1HB PHE 45 2HB PHE 45 2.589 0.343 -7.396 331 2HB PHE 45 1HB PHE 45 2.879 1.785 -6.419 332 HD1 PHE 45 1HD PHE 45 4.800 1.255 -4.532 333 HD2 PHE 45 2HD PHE 45 4.457 -0.508 -8.387 334 HE1 PHE 45 1HE PHE 45 7.199 0.742 -4.503 335 HE2 PHE 45 2HE PHE 45 6.860 -1.025 -8.372 336 HZ PHE 45 HZ PHE 45 8.239 -0.399 -6.426 337 H GLN 46 H GLN 46 3.176 -1.300 -3.315 338 HA GLN 46 HA GLN 46 3.234 -3.776 -4.901 339 1HB GLN 46 2HB GLN 46 5.071 -2.914 -2.673 340 2HB GLN 46 1HB GLN 46 5.107 -4.492 -3.451 341 1HG GLN 46 2HG GLN 46 5.776 -3.569 -5.513 342 2HG GLN 46 1HG GLN 46 5.440 -1.925 -4.969 343 1HE2 GLN 46 1HE2 GLN 46 7.273 -4.718 -3.839 344 2HE2 GLN 46 2HE2 GLN 46 8.721 -3.847 -3.466 345 H TYR 47 H TYR 47 3.526 -3.116 -1.411 346 HA TYR 47 HA TYR 47 2.252 -3.822 0.358 347 1HB TYR 47 2HB TYR 47 0.231 -4.996 -1.526 348 2HB TYR 47 1HB TYR 47 -0.017 -4.335 0.087 349 HD1 TYR 47 1HD TYR 47 0.431 -1.795 0.363 350 HD2 TYR 47 2HD TYR 47 -0.232 -3.688 -3.388 351 HE1 TYR 47 1HE TYR 47 -0.186 0.374 -0.612 352 HE2 TYR 47 2HE TYR 47 -0.855 -1.521 -4.375 353 HH TYR 47 HH TYR 47 -0.470 1.480 -2.624 354 H GLY 48 H GLY 48 2.917 -5.468 1.522 355 1HA GLY 48 2HA GLY 48 3.881 -7.874 0.314 356 2HA GLY 48 1HA GLY 48 3.809 -7.535 2.034 357 H PHE 49 H PHE 49 2.943 -9.792 0.058 358 HA PHE 49 HA PHE 49 0.191 -10.113 1.009 359 1HB PHE 49 2HB PHE 49 1.705 -11.143 -1.348 360 2HB PHE 49 1HB PHE 49 0.325 -12.054 -0.752 361 HD1 PHE 49 1HD PHE 49 -1.207 -11.770 -2.476 362 HD2 PHE 49 2HD PHE 49 0.729 -8.385 -0.797 363 HE1 PHE 49 1HE PHE 49 -2.750 -10.298 -3.694 364 HE2 PHE 49 2HE PHE 49 -0.789 -6.895 -2.007 365 HZ PHE 49 HZ PHE 49 -2.541 -7.848 -3.468 366 H THR 50 H THR 50 -0.417 -11.729 2.294 367 HA THR 50 HA THR 50 1.480 -13.907 2.851 368 HB THR 50 HB THR 50 1.484 -12.139 4.683 369 HG1 THR 50 1HG THR 50 0.554 -14.655 5.565 370 1HG2 THR 50 1HG2 THR 50 -0.320 -11.635 5.911 371 2HG2 THR 50 2HG2 THR 50 -0.965 -13.278 5.828 372 3HG2 THR 50 3HG2 THR 50 -1.199 -12.163 4.486 373 H PHE 51 H PHE 51 0.332 -15.775 3.971 374 HA PHE 51 HA PHE 51 -2.341 -16.048 2.793 375 1HB PHE 51 2HB PHE 51 -0.607 -18.357 3.655 376 2HB PHE 51 1HB PHE 51 -1.891 -18.323 2.443 377 HD1 PHE 51 1HD PHE 51 -1.510 -16.862 0.377 378 HD2 PHE 51 2HD PHE 51 1.600 -18.096 2.991 379 HE1 PHE 51 1HE PHE 51 0.158 -16.328 -1.357 380 HE2 PHE 51 2HE PHE 51 3.277 -17.577 1.270 381 HZ PHE 51 HZ PHE 51 2.556 -16.684 -0.908 382 H ASP 52 H ASP 52 -3.646 -15.348 4.312 383 HA ASP 52 HA ASP 52 -3.463 -16.530 7.007 384 1HB ASP 52 2HB ASP 52 -3.058 -14.213 7.197 385 2HB ASP 52 1HB ASP 52 -4.332 -13.812 6.048 386 H GLU 53 H GLU 53 -4.878 -18.158 7.103 387 HA GLU 53 HA GLU 53 -7.397 -18.109 5.717 388 1HB GLU 53 2HB GLU 53 -5.684 -20.089 6.719 389 2HB GLU 53 1HB GLU 53 -7.179 -20.249 7.629 390 1HG GLU 53 2HG GLU 53 -7.689 -19.890 4.821 391 2HG GLU 53 1HG GLU 53 -6.616 -21.257 5.111 392 H LYS 54 H LYS 54 -6.320 -17.331 8.928 393 HA LYS 54 HA LYS 54 -8.507 -17.895 10.466 394 1HB LYS 54 2HB LYS 54 -7.814 -15.428 11.470 395 2HB LYS 54 1HB LYS 54 -7.095 -16.964 11.929 396 1HG LYS 54 2HG LYS 54 -5.951 -15.649 9.566 397 2HG LYS 54 1HG LYS 54 -5.675 -14.862 11.113 398 1HD LYS 54 2HD LYS 54 -5.054 -17.742 10.456 399 2HD LYS 54 1HD LYS 54 -3.876 -16.431 10.541 400 1HE LYS 54 2HE LYS 54 -3.687 -16.705 12.736 401 2HE LYS 54 1HE LYS 54 -5.413 -16.460 12.946 402 1HZ LYS 54 1HZ LYS 54 -3.890 -18.929 12.872 403 2HZ LYS 54 2HZ LYS 54 -5.369 -18.962 12.047 404 3HZ LYS 54 3HZ LYS 54 -5.321 -18.564 13.698 405 H VAL 55 H VAL 55 -8.225 -14.436 9.882 406 HA VAL 55 HA VAL 55 -10.231 -13.947 8.111 407 HB VAL 55 HB VAL 55 -11.689 -15.324 9.621 408 1HG1 VAL 55 1HG1 VAL 55 -10.839 -14.592 11.767 409 2HG1 VAL 55 2HG1 VAL 55 -12.561 -14.291 11.654 410 3HG1 VAL 55 3HG1 VAL 55 -11.421 -12.960 11.464 411 1HG2 VAL 55 1HG2 VAL 55 -13.609 -13.896 9.402 412 2HG2 VAL 55 2HG2 VAL 55 -12.567 -13.680 7.999 413 3HG2 VAL 55 3HG2 VAL 55 -12.579 -12.473 9.283 414 H ASN 56 H ASN 56 -8.480 -12.913 10.850 415 HA ASN 56 HA ASN 56 -8.232 -10.894 11.897 416 1HB ASN 56 2HB ASN 56 -7.971 -10.249 8.972 417 2HB ASN 56 1HB ASN 56 -7.451 -9.172 10.268 418 1HD2 ASN 56 1HD2 ASN 56 -7.188 -12.607 9.464 419 2HD2 ASN 56 2HD2 ASN 56 -5.501 -12.730 9.782 420 H ASP 57 H ASP 57 -10.102 -10.358 12.921 421 HA ASP 57 HA ASP 57 -12.519 -9.657 11.899 422 1HB ASP 57 2HB ASP 57 -11.298 -8.234 14.261 423 2HB ASP 57 1HB ASP 57 -13.006 -8.502 13.955 424 H GLY 58 H GLY 58 -9.763 -7.427 12.278 425 1HA GLY 58 2HA GLY 58 -11.333 -5.343 10.925 426 2HA GLY 58 1HA GLY 58 -9.798 -5.101 11.759 427 H ASP 59 H ASP 59 -11.063 -7.121 9.114 428 HA ASP 59 HA ASP 59 -8.849 -6.223 7.427 429 1HB ASP 59 2HB ASP 59 -8.062 -8.394 7.014 430 2HB ASP 59 1HB ASP 59 -8.482 -8.452 8.708 431 H LEU 60 H LEU 60 -9.827 -5.313 5.681 432 HA LEU 60 HA LEU 60 -12.428 -6.095 4.819 433 1HB LEU 60 2HB LEU 60 -10.478 -4.630 3.079 434 2HB LEU 60 1HB LEU 60 -12.221 -4.505 3.102 435 HG LEU 60 HG LEU 60 -10.212 -3.220 4.900 436 1HD1 LEU 60 1HD1 LEU 60 -10.906 -1.744 3.282 437 2HD1 LEU 60 2HD1 LEU 60 -12.049 -1.396 4.580 438 3HD1 LEU 60 3HD1 LEU 60 -12.538 -2.410 3.223 439 1HD2 LEU 60 1HD2 LEU 60 -12.309 -2.598 6.309 440 2HD2 LEU 60 2HD2 LEU 60 -11.476 -4.122 6.614 441 3HD2 LEU 60 3HD2 LEU 60 -12.956 -4.102 5.662 442 H THR 61 H THR 61 -12.933 -7.793 3.554 443 HA THR 61 HA THR 61 -10.704 -9.156 2.236 444 HB THR 61 HB THR 61 -11.638 -11.201 2.740 445 HG1 THR 61 1HG THR 61 -13.694 -11.568 2.610 446 1HG2 THR 61 1HG2 THR 61 -11.888 -11.280 4.991 447 2HG2 THR 61 2HG2 THR 61 -12.926 -9.854 5.040 448 3HG2 THR 61 3HG2 THR 61 -11.186 -9.673 4.821 449 H ILE 62 H ILE 62 -10.689 -9.707 0.230 450 HA ILE 62 HA ILE 62 -13.038 -9.253 -1.495 451 HB ILE 62 HB ILE 62 -10.959 -8.932 -3.210 452 1HG1 ILE 62 2HG1 ILE 62 -9.411 -9.020 -1.165 453 2HG1 ILE 62 1HG1 ILE 62 -9.169 -7.697 -2.299 454 1HG2 ILE 62 1HG2 ILE 62 -12.124 -6.677 -1.594 455 2HG2 ILE 62 2HG2 ILE 62 -12.948 -7.494 -2.917 456 3HG2 ILE 62 3HG2 ILE 62 -11.469 -6.588 -3.229 457 1HD1 ILE 62 1HD1 ILE 62 -9.427 -6.230 -0.668 458 2HD1 ILE 62 2HD1 ILE 62 -9.587 -7.563 0.476 459 3HD1 ILE 62 3HD1 ILE 62 -11.023 -6.879 -0.287 460 H GLU 63 H GLU 63 -13.587 -11.123 -2.581 461 HA GLU 63 HA GLU 63 -12.227 -13.525 -2.140 462 1HB GLU 63 2HB GLU 63 -14.627 -13.190 -2.887 463 2HB GLU 63 1HB GLU 63 -13.993 -13.023 -4.517 464 1HG GLU 63 2HG GLU 63 -13.009 -15.389 -3.140 465 2HG GLU 63 1HG GLU 63 -14.762 -15.363 -3.322 466 H LYS 64 H LYS 64 -11.050 -14.902 -3.576 467 HA LYS 64 HA LYS 64 -9.561 -13.410 -5.628 468 1HB LYS 64 2HB LYS 64 -8.574 -15.629 -3.840 469 2HB LYS 64 1HB LYS 64 -7.614 -14.787 -5.054 470 1HG LYS 64 2HG LYS 64 -7.925 -12.696 -3.836 471 2HG LYS 64 1HG LYS 64 -8.875 -13.543 -2.626 472 1HD LYS 64 2HD LYS 64 -6.626 -13.216 -1.810 473 2HD LYS 64 1HD LYS 64 -6.898 -14.927 -2.099 474 1HE LYS 64 2HE LYS 64 -5.896 -13.730 -4.487 475 2HE LYS 64 1HE LYS 64 -4.857 -13.277 -3.138 476 1HZ LYS 64 1HZ LYS 64 -3.985 -15.272 -3.892 477 2HZ LYS 64 2HZ LYS 64 -5.499 -15.977 -4.138 478 3HZ LYS 64 3HZ LYS 64 -4.919 -15.748 -2.565 479 H SER 65 H SER 65 -8.455 -14.876 -7.200 480 HA SER 65 HA SER 65 -10.227 -16.149 -8.831 481 1HB SER 65 2HB SER 65 -7.506 -15.644 -8.857 482 2HB SER 65 1HB SER 65 -7.604 -17.395 -8.979 483 HG SER 65 HG SER 65 -7.768 -15.942 -10.975 484 H GLY 66 H GLY 66 -8.245 -17.689 -6.318 485 1HA GLY 66 2HA GLY 66 -10.029 -20.026 -6.519 486 2HA GLY 66 1HA GLY 66 -8.286 -20.241 -6.528 487 H VAL 67 H VAL 67 -9.256 -17.675 -4.559 488 HA VAL 67 HA VAL 67 -9.721 -19.259 -2.178 489 HB VAL 67 HB VAL 67 -7.785 -18.425 -0.947 490 1HG1 VAL 67 1HG1 VAL 67 -7.655 -20.561 -2.192 491 2HG1 VAL 67 2HG1 VAL 67 -6.090 -19.791 -1.953 492 3HG1 VAL 67 3HG1 VAL 67 -6.891 -19.689 -3.520 493 1HG2 VAL 67 1HG2 VAL 67 -6.337 -16.870 -1.698 494 2HG2 VAL 67 2HG2 VAL 67 -7.662 -16.451 -2.783 495 3HG2 VAL 67 3HG2 VAL 67 -6.360 -17.498 -3.345 496 H GLN 68 H GLN 68 -8.534 -16.770 -0.685 497 HA GLN 68 HA GLN 68 -10.535 -14.778 -1.416 498 1HB GLN 68 2HB GLN 68 -10.703 -16.515 0.895 499 2HB GLN 68 1HB GLN 68 -10.609 -14.829 1.385 500 1HG GLN 68 2HG GLN 68 -12.480 -15.386 -0.808 501 2HG GLN 68 1HG GLN 68 -12.893 -16.115 0.745 502 1HE2 GLN 68 1HE2 GLN 68 -11.202 -13.084 0.222 503 2HE2 GLN 68 2HE2 GLN 68 -12.414 -12.074 0.915 504 H LEU 69 H LEU 69 -9.854 -12.714 -1.120 505 HA LEU 69 HA LEU 69 -7.165 -12.377 0.013 506 1HB LEU 69 2HB LEU 69 -7.371 -11.595 -2.262 507 2HB LEU 69 1HB LEU 69 -8.767 -10.630 -1.852 508 HG LEU 69 HG LEU 69 -7.495 -8.984 -0.817 509 1HD1 LEU 69 1HD1 LEU 69 -5.983 -9.624 0.687 510 2HD1 LEU 69 2HD1 LEU 69 -4.855 -9.816 -0.655 511 3HD1 LEU 69 3HD1 LEU 69 -5.780 -11.195 -0.083 512 1HD2 LEU 69 1HD2 LEU 69 -5.891 -8.327 -2.409 513 2HD2 LEU 69 2HD2 LEU 69 -7.083 -9.276 -3.300 514 3HD2 LEU 69 3HD2 LEU 69 -5.539 -10.000 -2.845 515 H VAL 70 H VAL 70 -6.799 -11.120 1.765 516 HA VAL 70 HA VAL 70 -8.930 -9.384 2.737 517 HB VAL 70 HB VAL 70 -9.353 -10.460 4.684 518 1HG1 VAL 70 1HG1 VAL 70 -9.930 -12.134 3.117 519 2HG1 VAL 70 2HG1 VAL 70 -9.130 -12.958 4.456 520 3HG1 VAL 70 3HG1 VAL 70 -8.252 -12.656 2.954 521 1HG2 VAL 70 1HG2 VAL 70 -7.728 -11.842 5.942 522 2HG2 VAL 70 2HG2 VAL 70 -7.155 -10.198 5.657 523 3HG2 VAL 70 3HG2 VAL 70 -6.533 -11.530 4.684 524 H ILE 71 H ILE 71 -7.932 -7.467 2.778 525 HA ILE 71 HA ILE 71 -5.153 -7.392 3.730 526 HB ILE 71 HB ILE 71 -4.729 -5.494 2.491 527 1HG1 ILE 71 2HG1 ILE 71 -6.528 -4.069 3.254 528 2HG1 ILE 71 1HG1 ILE 71 -6.487 -4.042 1.494 529 1HG2 ILE 71 1HG2 ILE 71 -5.505 -7.613 1.175 530 2HG2 ILE 71 2HG2 ILE 71 -5.152 -6.109 0.325 531 3HG2 ILE 71 3HG2 ILE 71 -6.824 -6.559 0.664 532 1HD1 ILE 71 1HD1 ILE 71 -8.371 -5.521 1.382 533 2HD1 ILE 71 2HD1 ILE 71 -8.759 -4.157 2.431 534 3HD1 ILE 71 3HD1 ILE 71 -8.356 -5.724 3.133 535 H ASP 72 H ASP 72 -4.541 -5.270 4.810 536 HA ASP 72 HA ASP 72 -6.320 -4.954 7.102 537 1HB ASP 72 2HB ASP 72 -3.995 -5.476 7.565 538 2HB ASP 72 1HB ASP 72 -3.465 -4.084 6.623 539 HA PRO 73 HA PRO 73 -8.163 -1.059 6.152 540 1HB PRO 73 2HB PRO 73 -7.092 -0.297 8.843 541 2HB PRO 73 1HB PRO 73 -8.705 -0.041 8.163 542 1HG PRO 73 2HG PRO 73 -8.275 -2.010 9.895 543 2HG PRO 73 1HG PRO 73 -9.342 -2.248 8.500 544 1HD PRO 73 2HD PRO 73 -6.601 -3.279 8.979 545 2HD PRO 73 1HD PRO 73 -7.922 -3.984 8.032 546 H MET 74 H MET 74 -4.915 -1.001 7.601 547 HA MET 74 HA MET 74 -4.233 1.601 6.928 548 1HB MET 74 2HB MET 74 -2.601 0.766 8.267 549 2HB MET 74 1HB MET 74 -2.788 -0.865 7.644 550 1HG MET 74 2HG MET 74 -1.207 -0.591 6.051 551 2HG MET 74 1HG MET 74 -1.513 1.135 5.865 552 1HE MET 74 1HE MET 74 -0.807 2.917 7.467 553 2HE MET 74 2HE MET 74 0.430 2.771 8.714 554 3HE MET 74 3HE MET 74 -1.204 2.185 9.022 555 H SER 75 H SER 75 -3.977 -1.383 5.083 556 HA SER 75 HA SER 75 -2.849 -0.107 2.787 557 1HB SER 75 2HB SER 75 -4.309 -2.731 2.676 558 2HB SER 75 1HB SER 75 -2.885 -2.213 1.773 559 HG SER 75 HG SER 75 -3.072 -3.057 4.457 560 H LEU 76 H LEU 76 -6.073 -0.841 3.944 561 HA LEU 76 HA LEU 76 -7.657 -0.786 1.763 562 1HB LEU 76 2HB LEU 76 -9.062 -0.898 3.476 563 2HB LEU 76 1HB LEU 76 -7.980 -0.022 4.530 564 HG LEU 76 HG LEU 76 -9.679 1.434 2.522 565 1HD1 LEU 76 1HD1 LEU 76 -11.299 0.218 3.709 566 2HD1 LEU 76 2HD1 LEU 76 -11.223 1.790 4.506 567 3HD1 LEU 76 3HD1 LEU 76 -10.417 0.396 5.225 568 1HD2 LEU 76 1HD2 LEU 76 -9.434 2.897 4.844 569 2HD2 LEU 76 2HD2 LEU 76 -8.480 3.114 3.377 570 3HD2 LEU 76 3HD2 LEU 76 -7.871 2.102 4.686 571 H GLN 77 H GLN 77 -6.278 2.099 3.275 572 HA GLN 77 HA GLN 77 -7.432 3.779 1.256 573 1HB GLN 77 2HB GLN 77 -6.990 5.546 2.592 574 2HB GLN 77 1HB GLN 77 -6.890 4.291 3.812 575 1HG GLN 77 2HG GLN 77 -4.321 4.670 2.586 576 2HG GLN 77 1HG GLN 77 -4.966 6.209 3.148 577 1HE2 GLN 77 1HE2 GLN 77 -5.062 2.872 4.319 578 2HE2 GLN 77 2HE2 GLN 77 -4.504 3.230 5.908 579 H TYR 78 H TYR 78 -4.501 2.054 1.660 580 HA TYR 78 HA TYR 78 -2.983 3.738 -0.122 581 1HB TYR 78 2HB TYR 78 -2.419 1.086 1.192 582 2HB TYR 78 1HB TYR 78 -1.316 1.816 0.026 583 HD1 TYR 78 1HD TYR 78 -3.250 3.109 2.956 584 HD2 TYR 78 2HD TYR 78 0.531 2.707 1.055 585 HE1 TYR 78 1HE TYR 78 -2.207 4.377 4.783 586 HE2 TYR 78 2HE TYR 78 1.588 3.982 2.873 587 HH TYR 78 HH TYR 78 -0.027 4.691 5.799 588 H LEU 79 H LEU 79 -4.660 0.642 -0.249 589 HA LEU 79 HA LEU 79 -3.881 0.276 -3.021 590 1HB LEU 79 2HB LEU 79 -4.850 -1.914 -2.912 591 2HB LEU 79 1HB LEU 79 -3.754 -1.643 -1.586 592 HG LEU 79 HG LEU 79 -6.211 -2.811 -1.398 593 1HD1 LEU 79 1HD1 LEU 79 -4.849 -3.267 0.335 594 2HD1 LEU 79 2HD1 LEU 79 -5.864 -2.057 1.122 595 3HD1 LEU 79 3HD1 LEU 79 -4.288 -1.599 0.475 596 1HD2 LEU 79 1HD2 LEU 79 -7.623 -1.313 -0.073 597 2HD2 LEU 79 2HD2 LEU 79 -7.443 -0.754 -1.732 598 3HD2 LEU 79 3HD2 LEU 79 -6.535 0.024 -0.435 599 H ILE 80 H ILE 80 -6.517 1.613 -1.393 600 HA ILE 80 HA ILE 80 -8.849 1.231 -2.327 601 HB ILE 80 HB ILE 80 -9.374 3.527 -2.712 602 1HG1 ILE 80 2HG1 ILE 80 -7.648 4.081 -4.331 603 2HG1 ILE 80 1HG1 ILE 80 -7.617 5.242 -3.007 604 1HG2 ILE 80 1HG2 ILE 80 -8.877 2.980 -0.429 605 2HG2 ILE 80 2HG2 ILE 80 -8.281 4.603 -0.782 606 3HG2 ILE 80 3HG2 ILE 80 -7.156 3.247 -0.708 607 1HD1 ILE 80 1HD1 ILE 80 -5.742 3.952 -2.020 608 2HD1 ILE 80 2HD1 ILE 80 -5.376 4.677 -3.585 609 3HD1 ILE 80 3HD1 ILE 80 -5.732 2.956 -3.468 610 H GLY 81 H GLY 81 -9.862 0.561 -3.979 611 1HA GLY 81 2HA GLY 81 -10.138 -0.308 -6.114 612 2HA GLY 81 1HA GLY 81 -10.370 1.409 -6.387 613 H GLY 82 H GLY 82 -7.242 -0.165 -5.745 614 1HA GLY 82 2HA GLY 82 -6.275 0.947 -8.265 615 2HA GLY 82 1HA GLY 82 -5.296 0.165 -7.026 616 H THR 83 H THR 83 -4.235 -1.143 -8.586 617 HA THR 83 HA THR 83 -5.733 -3.541 -9.242 618 HB THR 83 HB THR 83 -4.442 -1.825 -11.362 619 HG1 THR 83 1HG THR 83 -6.533 -1.300 -11.245 620 1HG2 THR 83 1HG2 THR 83 -3.853 -3.653 -12.462 621 2HG2 THR 83 2HG2 THR 83 -5.570 -4.040 -12.599 622 3HG2 THR 83 3HG2 THR 83 -4.621 -4.696 -11.260 623 H VAL 84 H VAL 84 -4.502 -5.306 -8.932 624 HA VAL 84 HA VAL 84 -1.581 -4.928 -8.893 625 HB VAL 84 HB VAL 84 -1.484 -5.540 -6.772 626 1HG1 VAL 84 1HG1 VAL 84 -3.848 -4.661 -6.678 627 2HG1 VAL 84 2HG1 VAL 84 -3.344 -5.724 -5.369 628 3HG1 VAL 84 3HG1 VAL 84 -4.365 -6.346 -6.663 629 1HG2 VAL 84 1HG2 VAL 84 -2.182 -7.860 -6.080 630 2HG2 VAL 84 2HG2 VAL 84 -1.049 -7.758 -7.427 631 3HG2 VAL 84 3HG2 VAL 84 -2.753 -8.083 -7.733 632 H ASP 85 H ASP 85 -0.286 -6.711 -9.408 633 HA ASP 85 HA ASP 85 -1.520 -9.085 -10.477 634 1HB ASP 85 2HB ASP 85 -0.106 -8.784 -12.641 635 2HB ASP 85 1HB ASP 85 -1.656 -7.951 -12.507 636 H TYR 86 H TYR 86 -0.130 -10.841 -10.514 637 HA TYR 86 HA TYR 86 2.535 -10.318 -9.383 638 1HB TYR 86 2HB TYR 86 0.441 -11.901 -8.415 639 2HB TYR 86 1HB TYR 86 1.629 -13.039 -9.035 640 HD1 TYR 86 1HD TYR 86 4.156 -12.278 -8.362 641 HD2 TYR 86 2HD TYR 86 0.614 -11.397 -6.190 642 HE1 TYR 86 1HE TYR 86 5.487 -12.021 -6.317 643 HE2 TYR 86 2HE TYR 86 1.929 -11.129 -4.133 644 HH TYR 86 HH TYR 86 4.193 -10.669 -3.441 645 H THR 87 H THR 87 4.291 -11.477 -10.131 646 HA THR 87 HA THR 87 3.939 -13.334 -12.326 647 HB THR 87 HB THR 87 5.507 -10.775 -12.644 648 HG1 THR 87 1HG THR 87 3.988 -10.425 -14.332 649 1HG2 THR 87 1HG2 THR 87 6.279 -11.460 -14.692 650 2HG2 THR 87 2HG2 THR 87 5.045 -12.709 -14.860 651 3HG2 THR 87 3HG2 THR 87 6.398 -12.949 -13.754 652 H GLU 88 H GLU 88 4.852 -14.869 -10.944 653 HA GLU 88 HA GLU 88 7.555 -14.382 -9.955 654 1HB GLU 88 2HB GLU 88 5.891 -16.860 -9.561 655 2HB GLU 88 1HB GLU 88 7.292 -16.353 -8.634 656 1HG GLU 88 2HG GLU 88 6.050 -15.137 -7.260 657 2HG GLU 88 1HG GLU 88 5.205 -14.357 -8.597 658 H GLY 89 H GLY 89 9.184 -16.115 -10.206 659 1HA GLY 89 2HA GLY 89 9.180 -18.188 -11.987 660 2HA GLY 89 1HA GLY 89 9.448 -16.770 -12.998 661 H LEU 90 H LEU 90 11.525 -16.839 -13.563 662 HA LEU 90 HA LEU 90 13.568 -17.810 -11.786 663 1HB LEU 90 2HB LEU 90 13.598 -18.146 -14.239 664 2HB LEU 90 1HB LEU 90 13.850 -16.431 -14.453 665 HG LEU 90 HG LEU 90 16.024 -16.521 -13.516 666 1HD1 LEU 90 1HD1 LEU 90 15.544 -17.983 -11.630 667 2HD1 LEU 90 2HD1 LEU 90 16.970 -18.530 -12.507 668 3HD1 LEU 90 3HD1 LEU 90 15.428 -19.361 -12.716 669 1HD2 LEU 90 1HD2 LEU 90 17.083 -18.420 -14.859 670 2HD2 LEU 90 2HD2 LEU 90 16.145 -17.220 -15.745 671 3HD2 LEU 90 3HD2 LEU 90 15.441 -18.795 -15.384 672 H GLU 91 H GLU 91 12.911 -14.680 -13.341 673 HA GLU 91 HA GLU 91 14.916 -13.207 -12.110 674 1HB GLU 91 2HB GLU 91 12.159 -12.338 -12.990 675 2HB GLU 91 1HB GLU 91 13.444 -11.225 -12.524 676 1HG GLU 91 2HG GLU 91 13.756 -13.231 -14.737 677 2HG GLU 91 1HG GLU 91 13.113 -11.610 -14.997 678 H GLY 92 H GLY 92 12.090 -14.583 -10.753 679 1HA GLY 92 2HA GLY 92 12.052 -14.745 -8.317 680 2HA GLY 92 1HA GLY 92 12.589 -13.068 -8.264 681 H SER 93 H SER 93 10.292 -14.230 -6.966 682 HA SER 93 HA SER 93 7.884 -13.714 -8.285 683 1HB SER 93 2HB SER 93 6.912 -13.563 -5.985 684 2HB SER 93 1HB SER 93 7.910 -14.994 -6.235 685 HG SER 93 HG SER 93 8.934 -12.609 -5.111 686 H ARG 94 H ARG 94 8.017 -11.762 -9.415 687 HA ARG 94 HA ARG 94 8.498 -9.315 -7.938 688 1HB ARG 94 2HB ARG 94 8.446 -8.184 -10.030 689 2HB ARG 94 1HB ARG 94 9.337 -9.677 -10.282 690 1HG ARG 94 2HG ARG 94 6.617 -10.215 -10.842 691 2HG ARG 94 1HG ARG 94 7.047 -8.706 -11.657 692 1HD ARG 94 2HD ARG 94 8.889 -11.044 -11.817 693 2HD ARG 94 1HD ARG 94 7.440 -11.019 -12.823 694 HE ARG 94 HE ARG 94 9.821 -9.572 -13.274 695 1HH1 ARG 94 1HH1 ARG 94 6.355 -9.207 -13.460 696 2HH1 ARG 94 2HH1 ARG 94 6.422 -8.023 -14.720 697 1HH2 ARG 94 1HH2 ARG 94 9.910 -8.014 -14.931 698 2HH2 ARG 94 2HH2 ARG 94 8.439 -7.345 -15.555 699 H PHE 95 H PHE 95 6.994 -7.801 -7.394 700 HA PHE 95 HA PHE 95 4.187 -8.437 -8.009 701 1HB PHE 95 2HB PHE 95 4.981 -8.927 -5.605 702 2HB PHE 95 1HB PHE 95 5.035 -7.178 -5.410 703 HD1 PHE 95 1HD PHE 95 2.569 -9.181 -7.322 704 HD2 PHE 95 2HD PHE 95 3.306 -6.777 -3.884 705 HE1 PHE 95 1HE PHE 95 0.168 -9.172 -6.817 706 HE2 PHE 95 2HE PHE 95 0.902 -6.772 -3.371 707 HZ PHE 95 HZ PHE 95 -0.668 -7.965 -4.848 708 H THR 96 H THR 96 2.995 -6.814 -8.803 709 HA THR 96 HA THR 96 3.928 -4.063 -8.384 710 HB THR 96 HB THR 96 2.990 -4.735 -11.121 711 HG1 THR 96 1HG THR 96 5.646 -5.211 -10.254 712 1HG2 THR 96 1HG2 THR 96 3.452 -2.480 -10.906 713 2HG2 THR 96 2HG2 THR 96 4.919 -3.132 -11.638 714 3HG2 THR 96 3HG2 THR 96 4.882 -2.766 -9.912 715 H VAL 97 H VAL 97 2.358 -2.782 -7.784 716 HA VAL 97 HA VAL 97 -0.412 -3.446 -8.553 717 HB VAL 97 HB VAL 97 0.152 -1.913 -6.042 718 1HG1 VAL 97 1HG1 VAL 97 -2.129 -2.944 -7.352 719 2HG1 VAL 97 2HG1 VAL 97 -2.049 -2.081 -5.819 720 3HG1 VAL 97 3HG1 VAL 97 -1.931 -3.841 -5.851 721 1HG2 VAL 97 1HG2 VAL 97 -0.252 -4.549 -5.228 722 2HG2 VAL 97 2HG2 VAL 97 1.233 -3.608 -5.089 723 3HG2 VAL 97 3HG2 VAL 97 0.972 -4.643 -6.489 724 H ASN 98 H ASN 98 -1.869 -1.565 -8.672 725 HA ASN 98 HA ASN 98 -0.485 0.982 -9.119 726 1HB ASN 98 2HB ASN 98 -2.464 -0.235 -11.058 727 2HB ASN 98 1HB ASN 98 -1.677 1.337 -11.222 728 1HD2 ASN 98 1HD2 ASN 98 -1.628 -1.649 -12.401 729 2HD2 ASN 98 2HD2 ASN 98 0.041 -1.814 -12.801 730 H ASN 99 H ASN 99 -1.892 2.848 -9.102 731 HA ASN 99 HA ASN 99 -4.628 2.788 -8.549 732 1HB ASN 99 2HB ASN 99 -4.182 3.591 -6.020 733 2HB ASN 99 1HB ASN 99 -4.535 1.916 -6.445 734 1HD2 ASN 99 1HD2 ASN 99 -3.459 1.190 -4.618 735 2HD2 ASN 99 2HD2 ASN 99 -1.736 1.177 -4.512 736 HA PRO 100 HA PRO 100 -4.379 7.138 -9.088 737 1HB PRO 100 2HB PRO 100 -5.818 8.157 -6.951 738 2HB PRO 100 1HB PRO 100 -6.522 7.558 -8.460 739 1HG PRO 100 2HG PRO 100 -6.220 6.178 -5.826 740 2HG PRO 100 1HG PRO 100 -7.574 6.131 -6.971 741 1HD PRO 100 2HD PRO 100 -5.833 4.109 -6.796 742 2HD PRO 100 1HD PRO 100 -6.510 4.604 -8.358 743 H ASN 101 H ASN 101 -4.016 6.348 -5.632 744 HA ASN 101 HA ASN 101 -2.545 8.614 -4.927 745 1HB ASN 101 2HB ASN 101 -2.208 7.609 -2.870 746 2HB ASN 101 1HB ASN 101 -3.618 6.727 -3.454 747 1HD2 ASN 101 1HD2 ASN 101 -2.941 4.749 -4.845 748 2HD2 ASN 101 2HD2 ASN 101 -1.729 3.741 -4.129 749 H ALA 102 H ALA 102 -1.502 5.525 -6.258 750 HA ALA 102 HA ALA 102 1.271 5.893 -5.915 751 1HB ALA 102 1HB ALA 102 0.642 3.706 -6.380 752 2HB ALA 102 2HB ALA 102 1.379 4.240 -7.891 753 3HB ALA 102 3HB ALA 102 -0.377 4.185 -7.737 754 H THR 103 H THR 103 -0.613 6.166 -8.927 755 HA THR 103 HA THR 103 1.253 8.277 -9.789 756 HB THR 103 HB THR 103 0.829 7.441 -12.137 757 HG1 THR 103 1HG THR 103 -0.045 5.432 -12.385 758 1HG2 THR 103 1HG2 THR 103 2.526 5.875 -12.124 759 2HG2 THR 103 2HG2 THR 103 2.072 5.246 -10.540 760 3HG2 THR 103 3HG2 THR 103 2.852 6.823 -10.673 761 H SER 104 H SER 104 -1.742 6.939 -11.168 762 HA SER 104 HA SER 104 -3.255 9.297 -10.518 763 1HB SER 104 2HB SER 104 -3.753 9.792 -12.963 764 2HB SER 104 1HB SER 104 -2.147 10.252 -12.399 765 HG SER 104 HG SER 104 -1.291 8.475 -13.416 766 H THR 105 H THR 105 -5.493 9.173 -11.397 767 HA THR 105 HA THR 105 -6.414 6.420 -11.258 768 HB THR 105 HB THR 105 -8.425 8.533 -11.632 769 HG1 THR 105 1HG THR 105 -8.061 9.519 -9.680 770 1HG2 THR 105 1HG2 THR 105 -8.846 6.183 -10.814 771 2HG2 THR 105 2HG2 THR 105 -9.551 7.487 -9.858 772 3HG2 THR 105 3HG2 THR 105 -8.087 6.676 -9.302 773 H CYS 106 H CYS 106 -8.343 5.865 -12.706 774 HA CYS 106 HA CYS 106 -8.653 7.062 -15.231 775 1HB CYS 106 2HB CYS 106 -6.267 5.967 -15.277 776 2HB CYS 106 1HB CYS 106 -7.169 4.476 -15.512 777 HG CYS 106 HG CYS 106 -8.009 6.548 -17.531 778 H GLY 107 H GLY 107 -10.388 6.212 -16.313 779 1HA GLY 107 2HA GLY 107 -11.489 3.863 -16.638 780 2HA GLY 107 1HA GLY 107 -11.795 4.049 -14.914 781 H CYS 108 H CYS 108 -12.042 7.087 -15.626 782 HA CYS 108 HA CYS 108 -14.826 7.215 -15.575 783 1HB CYS 108 2HB CYS 108 -12.653 9.180 -16.164 784 2HB CYS 108 1HB CYS 108 -14.319 9.639 -16.496 785 HG CYS 108 HG CYS 108 -13.041 9.642 -13.802 786 H GLY 109 H GLY 109 -15.925 8.757 -17.370 787 1HA GLY 109 2HA GLY 109 -16.535 9.052 -19.597 788 2HA GLY 109 1HA GLY 109 -15.190 8.018 -20.072 789 H SER 110 H SER 110 -15.583 5.652 -19.064 790 HA SER 110 HA SER 110 -18.368 4.882 -19.578 791 1HB SER 110 2HB SER 110 -16.368 4.511 -21.451 792 2HB SER 110 1HB SER 110 -16.441 2.950 -20.633 793 HG SER 110 HG SER 110 -18.420 4.285 -22.111 794 H SER 111 H SER 111 -18.343 2.256 -19.251 795 HA SER 111 HA SER 111 -16.845 1.663 -16.803 796 1HB SER 111 2HB SER 111 -19.525 2.388 -16.745 797 2HB SER 111 1HB SER 111 -19.569 0.626 -16.687 798 HG SER 111 HG SER 111 -17.940 2.218 -14.999 799 H PHE 112 H PHE 112 -15.704 -0.091 -17.262 800 HA PHE 112 HA PHE 112 -16.985 -2.231 -18.835 801 1HB PHE 112 2HB PHE 112 -14.019 -1.686 -18.641 802 2HB PHE 112 1HB PHE 112 -14.820 -2.838 -19.704 803 HD1 PHE 112 1HD PHE 112 -16.052 -2.074 -21.664 804 HD2 PHE 112 2HD PHE 112 -13.965 0.656 -19.155 805 HE1 PHE 112 1HE PHE 112 -16.197 -0.356 -23.419 806 HE2 PHE 112 2HE PHE 112 -14.105 2.380 -20.904 807 HZ PHE 112 HZ PHE 112 -15.223 1.875 -23.041 808 H SER 113 H SER 113 -15.274 -4.274 -18.439 809 HA SER 113 HA SER 113 -14.847 -4.593 -15.577 810 1HB SER 113 2HB SER 113 -16.669 -6.394 -17.186 811 2HB SER 113 1HB SER 113 -16.061 -6.777 -15.574 812 HG SER 113 HG SER 113 -18.067 -5.070 -16.337 813 H ILE 114 H ILE 114 -13.632 -6.542 -15.065 814 HA ILE 114 HA ILE 114 -11.345 -6.852 -16.544 815 HB ILE 114 HB ILE 114 -10.831 -8.793 -15.231 816 1HG1 ILE 114 2HG1 ILE 114 -13.037 -9.933 -15.520 817 2HG1 ILE 114 1HG1 ILE 114 -12.435 -9.972 -13.867 818 1HG2 ILE 114 1HG2 ILE 114 -10.444 -7.247 -13.678 819 2HG2 ILE 114 2HG2 ILE 114 -11.967 -7.754 -12.947 820 3HG2 ILE 114 3HG2 ILE 114 -11.933 -6.382 -14.053 821 1HD1 ILE 114 1HD1 ILE 114 -14.683 -8.358 -15.005 822 2HD1 ILE 114 2HD1 ILE 114 -13.917 -7.930 -13.476 823 3HD1 ILE 114 3HD1 ILE 114 -14.702 -9.498 -13.660 Start of MODEL 17 1 1H MET 1 1HT MET 1 -24.537 -5.479 -6.923 2 2H MET 1 2HT MET 1 -23.989 -4.089 -6.077 3 3H MET 1 3HT MET 1 -24.985 -5.244 -5.287 4 HA MET 1 HA MET 1 -22.576 -5.297 -4.748 5 1HB MET 1 2HB MET 1 -24.271 -7.573 -5.691 6 2HB MET 1 1HB MET 1 -22.623 -7.899 -5.174 7 1HG MET 1 2HG MET 1 -23.615 -6.312 -3.157 8 2HG MET 1 1HG MET 1 -24.993 -7.317 -3.604 9 1HE MET 1 1HE MET 1 -20.962 -8.820 -3.393 10 2HE MET 1 2HE MET 1 -21.068 -8.314 -1.711 11 3HE MET 1 3HE MET 1 -21.367 -7.150 -3.001 12 H ILE 2 H ILE 2 -20.838 -7.103 -5.558 13 HA ILE 2 HA ILE 2 -20.182 -6.373 -8.327 14 HB ILE 2 HB ILE 2 -17.767 -6.844 -7.495 15 1HG1 ILE 2 2HG1 ILE 2 -18.720 -7.569 -5.225 16 2HG1 ILE 2 1HG1 ILE 2 -17.331 -6.491 -5.240 17 1HG2 ILE 2 1HG2 ILE 2 -19.258 -4.319 -6.794 18 2HG2 ILE 2 2HG2 ILE 2 -18.545 -4.715 -8.361 19 3HG2 ILE 2 3HG2 ILE 2 -17.507 -4.473 -6.957 20 1HD1 ILE 2 1HD1 ILE 2 -18.428 -4.927 -4.111 21 2HD1 ILE 2 2HD1 ILE 2 -19.678 -6.139 -3.832 22 3HD1 ILE 2 3HD1 ILE 2 -19.817 -5.024 -5.191 23 H ASP 3 H ASP 3 -18.100 -8.007 -8.823 24 HA ASP 3 HA ASP 3 -18.880 -10.730 -8.144 25 1HB ASP 3 2HB ASP 3 -19.874 -9.648 -10.441 26 2HB ASP 3 1HB ASP 3 -18.385 -10.385 -11.023 27 H ASP 4 H ASP 4 -16.616 -8.627 -9.880 28 HA ASP 4 HA ASP 4 -14.580 -10.638 -10.026 29 1HB ASP 4 2HB ASP 4 -14.881 -8.665 -11.616 30 2HB ASP 4 1HB ASP 4 -14.174 -7.668 -10.348 31 H MET 5 H MET 5 -15.091 -7.725 -8.076 32 HA MET 5 HA MET 5 -13.039 -8.716 -6.212 33 1HB MET 5 2HB MET 5 -12.475 -6.468 -5.664 34 2HB MET 5 1HB MET 5 -12.525 -6.573 -7.419 35 1HG MET 5 2HG MET 5 -15.108 -5.831 -6.577 36 2HG MET 5 1HG MET 5 -13.967 -4.836 -5.676 37 1HE MET 5 1HE MET 5 -15.619 -3.507 -9.377 38 2HE MET 5 2HE MET 5 -16.005 -3.375 -7.661 39 3HE MET 5 3HE MET 5 -16.146 -4.932 -8.480 40 H ALA 6 H ALA 6 -13.944 -6.493 -4.333 41 HA ALA 6 HA ALA 6 -16.615 -7.239 -3.634 42 1HB ALA 6 1HB ALA 6 -14.953 -9.040 -2.761 43 2HB ALA 6 2HB ALA 6 -16.277 -8.470 -1.744 44 3HB ALA 6 3HB ALA 6 -14.646 -7.844 -1.499 45 H VAL 7 H VAL 7 -13.644 -5.507 -2.743 46 HA VAL 7 HA VAL 7 -15.388 -3.420 -1.704 47 HB VAL 7 HB VAL 7 -13.097 -3.424 -0.019 48 1HG1 VAL 7 1HG1 VAL 7 -15.251 -2.432 0.492 49 2HG1 VAL 7 2HG1 VAL 7 -14.791 -3.612 1.718 50 3HG1 VAL 7 3HG1 VAL 7 -15.992 -4.030 0.494 51 1HG2 VAL 7 1HG2 VAL 7 -12.824 -5.782 -0.460 52 2HG2 VAL 7 2HG2 VAL 7 -14.539 -6.065 -0.183 53 3HG2 VAL 7 3HG2 VAL 7 -13.501 -5.569 1.152 54 HA PRO 8 HA PRO 8 -11.772 -0.925 -3.101 55 1HB PRO 8 2HB PRO 8 -9.453 -1.080 -1.948 56 2HB PRO 8 1HB PRO 8 -10.882 -1.020 -0.906 57 1HG PRO 8 2HG PRO 8 -9.214 -3.385 -1.684 58 2HG PRO 8 1HG PRO 8 -9.915 -2.987 -0.104 59 1HD PRO 8 2HD PRO 8 -11.048 -4.657 -2.129 60 2HD PRO 8 1HD PRO 8 -11.809 -4.129 -0.620 61 H LEU 9 H LEU 9 -8.723 -2.096 -3.030 62 HA LEU 9 HA LEU 9 -8.233 -2.066 -5.747 63 1HB LEU 9 2HB LEU 9 -6.608 -1.730 -3.895 64 2HB LEU 9 1HB LEU 9 -6.658 -3.450 -3.575 65 HG LEU 9 HG LEU 9 -4.864 -3.633 -4.884 66 1HD1 LEU 9 1HD1 LEU 9 -6.265 -4.495 -6.555 67 2HD1 LEU 9 2HD1 LEU 9 -5.174 -3.378 -7.363 68 3HD1 LEU 9 3HD1 LEU 9 -6.827 -2.892 -7.018 69 1HD2 LEU 9 1HD2 LEU 9 -4.165 -1.703 -6.419 70 2HD2 LEU 9 2HD2 LEU 9 -4.131 -1.440 -4.676 71 3HD2 LEU 9 3HD2 LEU 9 -5.464 -0.809 -5.638 72 H THR 10 H THR 10 -8.490 -3.483 -7.329 73 HA THR 10 HA THR 10 -9.126 -6.271 -6.685 74 HB THR 10 HB THR 10 -9.466 -4.690 -9.239 75 HG1 THR 10 1HG THR 10 -11.099 -5.255 -7.102 76 1HG2 THR 10 1HG2 THR 10 -10.997 -6.997 -9.402 77 2HG2 THR 10 2HG2 THR 10 -9.416 -7.536 -8.828 78 3HG2 THR 10 3HG2 THR 10 -9.544 -6.611 -10.326 79 H PHE 11 H PHE 11 -7.581 -7.746 -6.910 80 HA PHE 11 HA PHE 11 -5.087 -7.046 -8.225 81 1HB PHE 11 2HB PHE 11 -4.155 -8.918 -7.115 82 2HB PHE 11 1HB PHE 11 -5.260 -8.192 -5.959 83 HD1 PHE 11 1HD PHE 11 -7.517 -9.242 -5.638 84 HD2 PHE 11 2HD PHE 11 -4.382 -11.065 -7.833 85 HE1 PHE 11 1HE PHE 11 -8.648 -11.422 -5.426 86 HE2 PHE 11 2HE PHE 11 -5.478 -13.242 -7.632 87 HZ PHE 11 HZ PHE 11 -7.624 -13.422 -6.434 88 H THR 12 H THR 12 -4.038 -9.146 -9.333 89 HA THR 12 HA THR 12 -5.731 -9.630 -11.649 90 HB THR 12 HB THR 12 -3.254 -9.011 -11.738 91 HG1 THR 12 1HG THR 12 -3.194 -11.153 -13.300 92 1HG2 THR 12 1HG2 THR 12 -1.626 -10.741 -11.606 93 2HG2 THR 12 2HG2 THR 12 -2.857 -11.946 -11.245 94 3HG2 THR 12 3HG2 THR 12 -2.491 -10.688 -10.071 95 H ASP 13 H ASP 13 -4.652 -12.129 -12.467 96 HA ASP 13 HA ASP 13 -6.231 -13.893 -10.764 97 1HB ASP 13 2HB ASP 13 -4.936 -14.366 -13.456 98 2HB ASP 13 1HB ASP 13 -5.979 -15.513 -12.619 99 H ALA 14 H ALA 14 -2.974 -13.585 -12.038 100 HA ALA 14 HA ALA 14 -1.913 -15.951 -11.015 101 1HB ALA 14 1HB ALA 14 0.243 -15.025 -11.456 102 2HB ALA 14 2HB ALA 14 -0.393 -13.380 -11.409 103 3HB ALA 14 3HB ALA 14 -0.851 -14.465 -12.721 104 H ALA 15 H ALA 15 -2.153 -12.723 -9.539 105 HA ALA 15 HA ALA 15 -0.609 -13.173 -7.279 106 1HB ALA 15 1HB ALA 15 -1.357 -11.163 -6.651 107 2HB ALA 15 2HB ALA 15 -3.031 -11.709 -6.635 108 3HB ALA 15 3HB ALA 15 -2.297 -11.150 -8.144 109 H ALA 16 H ALA 16 -3.817 -14.231 -8.125 110 HA ALA 16 HA ALA 16 -4.510 -15.333 -5.570 111 1HB ALA 16 1HB ALA 16 -6.185 -14.786 -7.326 112 2HB ALA 16 2HB ALA 16 -6.294 -16.458 -6.785 113 3HB ALA 16 3HB ALA 16 -5.510 -16.077 -8.320 114 H ASN 17 H ASN 17 -3.151 -16.507 -8.577 115 HA ASN 17 HA ASN 17 -2.999 -19.209 -8.031 116 1HB ASN 17 2HB ASN 17 -1.377 -17.375 -9.773 117 2HB ASN 17 1HB ASN 17 -0.987 -19.084 -9.654 118 1HD2 ASN 17 1HD2 ASN 17 -3.745 -16.947 -10.211 119 2HD2 ASN 17 2HD2 ASN 17 -4.464 -17.918 -11.444 120 H LYS 18 H LYS 18 -0.544 -16.681 -7.425 121 HA LYS 18 HA LYS 18 1.427 -18.365 -6.409 122 1HB LYS 18 2HB LYS 18 2.518 -16.447 -5.631 123 2HB LYS 18 1HB LYS 18 1.590 -15.882 -7.010 124 1HG LYS 18 2HG LYS 18 0.562 -14.373 -5.760 125 2HG LYS 18 1HG LYS 18 0.024 -15.608 -4.622 126 1HD LYS 18 2HD LYS 18 2.389 -15.499 -3.659 127 2HD LYS 18 1HD LYS 18 2.565 -14.010 -4.590 128 1HE LYS 18 2HE LYS 18 0.800 -12.956 -3.396 129 2HE LYS 18 1HE LYS 18 0.323 -14.474 -2.639 130 1HZ LYS 18 1HZ LYS 18 2.544 -12.691 -1.988 131 2HZ LYS 18 2HZ LYS 18 2.794 -14.351 -1.776 132 3HZ LYS 18 3HZ LYS 18 1.530 -13.576 -0.961 133 H VAL 19 H VAL 19 -1.491 -17.157 -4.975 134 HA VAL 19 HA VAL 19 -0.772 -17.848 -2.280 135 HB VAL 19 HB VAL 19 -3.465 -17.183 -3.476 136 1HG1 VAL 19 1HG1 VAL 19 -2.657 -18.025 -0.811 137 2HG1 VAL 19 2HG1 VAL 19 -4.264 -17.928 -1.526 138 3HG1 VAL 19 3HG1 VAL 19 -3.529 -16.493 -0.807 139 1HG2 VAL 19 1HG2 VAL 19 -2.827 -15.062 -3.499 140 2HG2 VAL 19 2HG2 VAL 19 -1.217 -15.542 -2.970 141 3HG2 VAL 19 3HG2 VAL 19 -2.452 -15.138 -1.778 142 H LYS 20 H LYS 20 -3.470 -18.969 -4.285 143 HA LYS 20 HA LYS 20 -4.073 -21.273 -2.904 144 1HB LYS 20 2HB LYS 20 -4.943 -22.068 -5.190 145 2HB LYS 20 1HB LYS 20 -5.639 -20.614 -4.502 146 1HG LYS 20 2HG LYS 20 -5.106 -19.488 -6.330 147 2HG LYS 20 1HG LYS 20 -3.399 -19.854 -6.064 148 1HD LYS 20 2HD LYS 20 -5.129 -21.957 -7.266 149 2HD LYS 20 1HD LYS 20 -4.630 -20.599 -8.275 150 1HE LYS 20 2HE LYS 20 -2.314 -21.080 -7.886 151 2HE LYS 20 1HE LYS 20 -2.725 -22.307 -6.689 152 1HZ LYS 20 1HZ LYS 20 -3.759 -22.595 -9.419 153 2HZ LYS 20 2HZ LYS 20 -3.365 -23.789 -8.287 154 3HZ LYS 20 3HZ LYS 20 -2.138 -22.984 -9.121 155 H SER 21 H SER 21 -1.388 -20.693 -4.977 156 HA SER 21 HA SER 21 -0.974 -23.474 -5.558 157 1HB SER 21 2HB SER 21 -0.428 -21.764 -7.239 158 2HB SER 21 1HB SER 21 0.807 -21.116 -6.163 159 HG SER 21 HG SER 21 1.027 -23.107 -7.893 160 H LEU 22 H LEU 22 0.678 -21.007 -3.603 161 HA LEU 22 HA LEU 22 2.562 -22.995 -2.677 162 1HB LEU 22 2HB LEU 22 3.868 -21.289 -2.052 163 2HB LEU 22 1HB LEU 22 2.792 -20.325 -3.036 164 HG LEU 22 HG LEU 22 3.281 -19.232 -0.923 165 1HD1 LEU 22 1HD1 LEU 22 1.234 -18.585 -1.763 166 2HD1 LEU 22 2HD1 LEU 22 0.862 -19.046 -0.105 167 3HD1 LEU 22 3HD1 LEU 22 0.489 -20.133 -1.430 168 1HD2 LEU 22 1HD2 LEU 22 3.167 -20.170 1.103 169 2HD2 LEU 22 2HD2 LEU 22 3.274 -21.686 0.211 170 3HD2 LEU 22 3HD2 LEU 22 1.704 -21.072 0.736 171 H ILE 23 H ILE 23 -0.452 -21.648 -1.640 172 HA ILE 23 HA ILE 23 -0.186 -22.390 1.093 173 HB ILE 23 HB ILE 23 -2.616 -22.062 1.206 174 1HG1 ILE 23 2HG1 ILE 23 -3.351 -20.840 -1.088 175 2HG1 ILE 23 1HG1 ILE 23 -2.275 -22.071 -1.720 176 1HG2 ILE 23 1HG2 ILE 23 -0.683 -20.076 0.240 177 2HG2 ILE 23 2HG2 ILE 23 -1.704 -20.054 1.672 178 3HG2 ILE 23 3HG2 ILE 23 -2.373 -19.612 0.101 179 1HD1 ILE 23 1HD1 ILE 23 -3.893 -23.574 -1.553 180 2HD1 ILE 23 2HD1 ILE 23 -4.972 -22.321 -0.921 181 3HD1 ILE 23 3HD1 ILE 23 -3.990 -23.285 0.185 182 H SER 24 H SER 24 -1.811 -23.768 -1.726 183 HA SER 24 HA SER 24 -2.806 -26.069 -0.504 184 1HB SER 24 2HB SER 24 -2.136 -25.281 -3.312 185 2HB SER 24 1HB SER 24 -2.471 -26.977 -2.970 186 HG SER 24 HG SER 24 -4.304 -25.521 -3.568 187 H GLU 25 H GLU 25 0.334 -25.098 -1.469 188 HA GLU 25 HA GLU 25 1.477 -27.725 -1.491 189 1HB GLU 25 2HB GLU 25 2.260 -25.130 -2.356 190 2HB GLU 25 1HB GLU 25 3.473 -25.717 -1.241 191 1HG GLU 25 2HG GLU 25 3.692 -27.762 -2.575 192 2HG GLU 25 1HG GLU 25 2.518 -27.117 -3.719 193 H GLU 26 H GLU 26 0.739 -25.308 0.824 194 HA GLU 26 HA GLU 26 2.729 -26.136 2.728 195 1HB GLU 26 2HB GLU 26 0.301 -24.405 3.070 196 2HB GLU 26 1HB GLU 26 1.569 -24.622 4.268 197 1HG GLU 26 2HG GLU 26 2.638 -23.804 1.712 198 2HG GLU 26 1HG GLU 26 1.431 -22.665 2.307 199 H GLU 27 H GLU 27 -0.341 -27.141 1.728 200 HA GLU 27 HA GLU 27 -1.533 -29.006 2.310 201 1HB GLU 27 2HB GLU 27 0.838 -29.536 3.583 202 2HB GLU 27 1HB GLU 27 -0.288 -29.483 4.931 203 1HG GLU 27 2HG GLU 27 -0.813 -31.578 4.475 204 2HG GLU 27 1HG GLU 27 -1.584 -30.999 3.002 205 H ASN 28 H ASN 28 -1.517 -26.079 3.494 206 HA ASN 28 HA ASN 28 -2.812 -26.142 5.964 207 1HB ASN 28 2HB ASN 28 -3.783 -24.117 4.023 208 2HB ASN 28 1HB ASN 28 -3.264 -23.913 5.690 209 1HD2 ASN 28 1HD2 ASN 28 -2.517 -23.468 2.487 210 2HD2 ASN 28 2HD2 ASN 28 -0.859 -23.034 2.676 211 H THR 29 H THR 29 -4.429 -25.461 2.880 212 HA THR 29 HA THR 29 -6.274 -27.432 2.702 213 HB THR 29 HB THR 29 -7.109 -27.263 4.882 214 HG1 THR 29 1HG THR 29 -8.833 -25.478 3.531 215 1HG2 THR 29 1HG2 THR 29 -6.859 -25.490 6.178 216 2HG2 THR 29 2HG2 THR 29 -7.871 -24.508 5.122 217 3HG2 THR 29 3HG2 THR 29 -6.133 -24.638 4.815 218 H ASP 30 H ASP 30 -6.287 -23.886 2.996 219 HA ASP 30 HA ASP 30 -6.719 -23.269 0.336 220 1HB ASP 30 2HB ASP 30 -9.167 -24.115 1.732 221 2HB ASP 30 1HB ASP 30 -9.297 -22.535 0.964 222 H LEU 31 H LEU 31 -5.150 -22.055 1.657 223 HA LEU 31 HA LEU 31 -5.788 -20.201 3.585 224 1HB LEU 31 2HB LEU 31 -3.584 -20.948 2.007 225 2HB LEU 31 1HB LEU 31 -3.672 -19.212 1.977 226 HG LEU 31 HG LEU 31 -2.236 -19.845 3.759 227 1HD1 LEU 31 1HD1 LEU 31 -3.266 -18.772 5.592 228 2HD1 LEU 31 2HD1 LEU 31 -4.872 -19.262 5.059 229 3HD1 LEU 31 3HD1 LEU 31 -3.972 -18.061 4.142 230 1HD2 LEU 31 1HD2 LEU 31 -2.453 -21.725 4.923 231 2HD2 LEU 31 2HD2 LEU 31 -3.841 -22.129 3.896 232 3HD2 LEU 31 3HD2 LEU 31 -4.082 -21.297 5.439 233 H LYS 32 H LYS 32 -5.839 -17.959 3.548 234 HA LYS 32 HA LYS 32 -7.001 -16.778 1.115 235 1HB LYS 32 2HB LYS 32 -7.558 -16.101 4.014 236 2HB LYS 32 1HB LYS 32 -8.256 -15.277 2.635 237 1HG LYS 32 2HG LYS 32 -9.743 -16.927 2.227 238 2HG LYS 32 1HG LYS 32 -8.640 -18.199 2.755 239 1HD LYS 32 2HD LYS 32 -10.598 -17.906 4.250 240 2HD LYS 32 1HD LYS 32 -9.052 -17.674 5.066 241 1HE LYS 32 2HE LYS 32 -9.510 -15.145 4.369 242 2HE LYS 32 1HE LYS 32 -11.177 -15.709 4.416 243 1HZ LYS 32 1HZ LYS 32 -9.346 -16.246 6.664 244 2HZ LYS 32 2HZ LYS 32 -11.041 -16.183 6.663 245 3HZ LYS 32 3HZ LYS 32 -10.145 -14.756 6.541 246 H LEU 33 H LEU 33 -5.760 -15.206 0.247 247 HA LEU 33 HA LEU 33 -3.330 -14.406 1.346 248 1HB LEU 33 2HB LEU 33 -4.147 -14.292 -1.071 249 2HB LEU 33 1HB LEU 33 -4.934 -12.794 -0.625 250 HG LEU 33 HG LEU 33 -2.703 -12.579 -1.773 251 1HD1 LEU 33 1HD1 LEU 33 -3.663 -11.219 0.610 252 2HD1 LEU 33 2HD1 LEU 33 -3.052 -10.564 -0.900 253 3HD1 LEU 33 3HD1 LEU 33 -1.926 -11.049 0.368 254 1HD2 LEU 33 1HD2 LEU 33 -0.851 -13.502 -0.959 255 2HD2 LEU 33 2HD2 LEU 33 -1.891 -14.429 0.121 256 3HD2 LEU 33 3HD2 LEU 33 -1.181 -12.911 0.668 257 H ARG 34 H ARG 34 -2.659 -12.550 2.409 258 HA ARG 34 HA ARG 34 -4.710 -10.675 3.287 259 1HB ARG 34 2HB ARG 34 -4.548 -12.296 5.093 260 2HB ARG 34 1HB ARG 34 -2.805 -12.102 5.141 261 1HG ARG 34 2HG ARG 34 -3.350 -9.611 5.626 262 2HG ARG 34 1HG ARG 34 -4.939 -10.237 6.071 263 1HD ARG 34 2HD ARG 34 -3.828 -11.803 7.635 264 2HD ARG 34 1HD ARG 34 -2.286 -11.046 7.239 265 HE ARG 34 HE ARG 34 -4.275 -10.053 9.022 266 1HH1 ARG 34 1HH1 ARG 34 -1.803 -9.060 6.770 267 2HH1 ARG 34 2HH1 ARG 34 -1.543 -7.529 7.536 268 1HH2 ARG 34 1HH2 ARG 34 -3.934 -8.041 10.031 269 2HH2 ARG 34 2HH2 ARG 34 -2.755 -6.949 9.384 270 H VAL 35 H VAL 35 -3.921 -9.034 2.122 271 HA VAL 35 HA VAL 35 -1.151 -8.439 1.881 272 HB VAL 35 HB VAL 35 -3.415 -6.553 1.327 273 1HG1 VAL 35 1HG1 VAL 35 -1.847 -5.776 -0.461 274 2HG1 VAL 35 2HG1 VAL 35 -0.621 -6.832 0.241 275 3HG1 VAL 35 3HG1 VAL 35 -1.280 -5.496 1.185 276 1HG2 VAL 35 1HG2 VAL 35 -4.055 -8.504 0.214 277 2HG2 VAL 35 2HG2 VAL 35 -2.403 -8.857 -0.296 278 3HG2 VAL 35 3HG2 VAL 35 -3.279 -7.501 -1.010 279 H TYR 36 H TYR 36 -0.077 -6.589 2.520 280 HA TYR 36 HA TYR 36 -1.165 -4.993 4.701 281 1HB TYR 36 2HB TYR 36 1.335 -5.330 5.676 282 2HB TYR 36 1HB TYR 36 -0.042 -6.294 6.198 283 HD1 TYR 36 1HD TYR 36 -0.467 -8.478 4.808 284 HD2 TYR 36 2HD TYR 36 3.246 -6.407 4.945 285 HE1 TYR 36 1HE TYR 36 0.694 -10.524 4.101 286 HE2 TYR 36 2HE TYR 36 4.418 -8.445 4.230 287 HH TYR 36 HH TYR 36 3.442 -11.315 4.495 288 H ILE 37 H ILE 37 0.772 -3.325 5.288 289 HA ILE 37 HA ILE 37 1.340 -2.067 2.728 290 HB ILE 37 HB ILE 37 1.492 -1.086 5.568 291 1HG1 ILE 37 2HG1 ILE 37 -0.714 -1.132 4.512 292 2HG1 ILE 37 1HG1 ILE 37 -0.175 0.534 4.739 293 1HG2 ILE 37 1HG2 ILE 37 2.790 0.006 3.140 294 2HG2 ILE 37 2HG2 ILE 37 3.269 0.126 4.833 295 3HG2 ILE 37 3HG2 ILE 37 1.978 1.154 4.208 296 1HD1 ILE 37 1HD1 ILE 37 -0.984 0.638 2.616 297 2HD1 ILE 37 2HD1 ILE 37 -0.544 -1.027 2.242 298 3HD1 ILE 37 3HD1 ILE 37 0.696 0.227 2.281 299 H THR 38 H THR 38 3.135 -2.632 1.721 300 HA THR 38 HA THR 38 5.603 -2.899 3.305 301 HB THR 38 HB THR 38 4.872 -4.512 0.860 302 HG1 THR 38 1HG THR 38 4.930 -5.241 3.598 303 1HG2 THR 38 1HG2 THR 38 7.347 -4.222 2.375 304 2HG2 THR 38 2HG2 THR 38 7.068 -4.860 0.754 305 3HG2 THR 38 3HG2 THR 38 6.813 -5.890 2.165 306 H GLY 39 H GLY 39 4.108 -1.781 0.331 307 1HA GLY 39 2HA GLY 39 6.644 -0.408 -0.317 308 2HA GLY 39 1HA GLY 39 5.600 -1.093 -1.557 309 H GLY 40 H GLY 40 6.069 1.286 -2.167 310 1HA GLY 40 2HA GLY 40 4.099 2.789 -2.729 311 2HA GLY 40 1HA GLY 40 3.987 3.005 -0.985 312 H GLY 41 H GLY 41 6.225 3.649 0.002 313 1HA GLY 41 2HA GLY 41 7.909 5.217 0.146 314 2HA GLY 41 1HA GLY 41 7.997 5.185 -1.611 315 H CYS 42 H CYS 42 6.019 6.265 -2.680 316 HA CYS 42 HA CYS 42 5.616 8.856 -1.357 317 1HB CYS 42 2HB CYS 42 5.936 8.015 -4.191 318 2HB CYS 42 1HB CYS 42 4.839 9.356 -3.876 319 HG CYS 42 HG CYS 42 7.468 9.892 -2.544 320 H SER 43 H SER 43 4.023 6.043 -2.584 321 HA SER 43 HA SER 43 1.498 7.015 -1.545 322 1HB SER 43 2HB SER 43 1.823 6.183 -4.436 323 2HB SER 43 1HB SER 43 0.269 6.384 -3.629 324 HG SER 43 HG SER 43 0.458 8.469 -3.811 325 H GLY 44 H GLY 44 1.781 4.350 -3.847 326 1HA GLY 44 2HA GLY 44 2.371 2.248 -2.123 327 2HA GLY 44 1HA GLY 44 0.641 2.511 -2.004 328 H PHE 45 H PHE 45 2.916 0.683 -3.529 329 HA PHE 45 HA PHE 45 0.991 -0.066 -5.563 330 1HB PHE 45 2HB PHE 45 2.409 0.153 -7.443 331 2HB PHE 45 1HB PHE 45 2.516 1.685 -6.567 332 HD1 PHE 45 1HD PHE 45 4.429 1.476 -4.596 333 HD2 PHE 45 2HD PHE 45 4.378 -0.533 -8.344 334 HE1 PHE 45 1HE PHE 45 6.867 1.234 -4.493 335 HE2 PHE 45 2HE PHE 45 6.819 -0.786 -8.253 336 HZ PHE 45 HZ PHE 45 8.075 0.102 -6.323 337 H GLN 46 H GLN 46 3.049 -1.105 -3.216 338 HA GLN 46 HA GLN 46 3.521 -3.643 -4.639 339 1HB GLN 46 2HB GLN 46 5.095 -2.207 -2.567 340 2HB GLN 46 1HB GLN 46 5.128 -3.963 -2.556 341 1HG GLN 46 2HG GLN 46 5.997 -4.029 -4.777 342 2HG GLN 46 1HG GLN 46 5.772 -2.289 -4.967 343 1HE2 GLN 46 1HE2 GLN 46 6.863 -1.038 -3.096 344 2HE2 GLN 46 2HE2 GLN 46 8.511 -1.477 -2.791 345 H TYR 47 H TYR 47 3.462 -2.923 -1.172 346 HA TYR 47 HA TYR 47 2.149 -3.710 0.521 347 1HB TYR 47 2HB TYR 47 0.259 -4.927 -1.470 348 2HB TYR 47 1HB TYR 47 -0.086 -4.304 0.139 349 HD1 TYR 47 1HD TYR 47 -0.380 -3.655 -3.273 350 HD2 TYR 47 2HD TYR 47 0.441 -1.708 0.417 351 HE1 TYR 47 1HE TYR 47 -1.067 -1.508 -4.260 352 HE2 TYR 47 2HE TYR 47 -0.242 0.444 -0.558 353 HH TYR 47 HH TYR 47 -1.890 0.677 -3.522 354 H GLY 48 H GLY 48 2.806 -5.358 1.689 355 1HA GLY 48 2HA GLY 48 3.874 -7.723 0.462 356 2HA GLY 48 1HA GLY 48 3.776 -7.400 2.184 357 H PHE 49 H PHE 49 2.965 -9.640 0.145 358 HA PHE 49 HA PHE 49 0.222 -10.043 1.090 359 1HB PHE 49 2HB PHE 49 1.766 -10.998 -1.279 360 2HB PHE 49 1HB PHE 49 0.413 -11.960 -0.699 361 HD1 PHE 49 1HD PHE 49 -1.144 -11.700 -2.394 362 HD2 PHE 49 2HD PHE 49 0.728 -8.278 -0.713 363 HE1 PHE 49 1HE PHE 49 -2.729 -10.258 -3.594 364 HE2 PHE 49 2HE PHE 49 -0.835 -6.818 -1.908 365 HZ PHE 49 HZ PHE 49 -2.575 -7.805 -3.359 366 H THR 50 H THR 50 -0.344 -11.675 2.362 367 HA THR 50 HA THR 50 1.584 -13.837 2.868 368 HB THR 50 HB THR 50 1.585 -12.093 4.722 369 HG1 THR 50 1HG THR 50 2.130 -13.685 5.967 370 1HG2 THR 50 1HG2 THR 50 -0.186 -11.713 6.070 371 2HG2 THR 50 2HG2 THR 50 -0.874 -13.318 5.805 372 3HG2 THR 50 3HG2 THR 50 -1.059 -12.069 4.583 373 H PHE 51 H PHE 51 0.463 -15.741 3.958 374 HA PHE 51 HA PHE 51 -2.220 -15.998 2.805 375 1HB PHE 51 2HB PHE 51 -0.399 -18.292 3.521 376 2HB PHE 51 1HB PHE 51 -1.759 -18.281 2.402 377 HD1 PHE 51 1HD PHE 51 -1.568 -16.873 0.305 378 HD2 PHE 51 2HD PHE 51 1.764 -17.819 2.767 379 HE1 PHE 51 1HE PHE 51 -0.043 -16.234 -1.520 380 HE2 PHE 51 2HE PHE 51 3.299 -17.198 0.949 381 HZ PHE 51 HZ PHE 51 2.396 -16.398 -1.197 382 H ASP 52 H ASP 52 -3.502 -15.359 4.366 383 HA ASP 52 HA ASP 52 -3.305 -16.662 7.006 384 1HB ASP 52 2HB ASP 52 -2.900 -14.344 7.287 385 2HB ASP 52 1HB ASP 52 -4.206 -13.902 6.193 386 H GLU 53 H GLU 53 -4.721 -18.279 7.034 387 HA GLU 53 HA GLU 53 -7.212 -18.218 5.614 388 1HB GLU 53 2HB GLU 53 -5.521 -20.200 6.641 389 2HB GLU 53 1HB GLU 53 -7.023 -20.355 7.542 390 1HG GLU 53 2HG GLU 53 -7.537 -20.007 4.737 391 2HG GLU 53 1HG GLU 53 -6.449 -21.364 5.022 392 H LYS 54 H LYS 54 -6.223 -17.467 8.852 393 HA LYS 54 HA LYS 54 -8.549 -18.024 10.242 394 1HB LYS 54 2HB LYS 54 -7.688 -15.752 11.517 395 2HB LYS 54 1HB LYS 54 -7.126 -17.373 11.837 396 1HG LYS 54 2HG LYS 54 -5.759 -15.919 9.678 397 2HG LYS 54 1HG LYS 54 -5.499 -15.335 11.318 398 1HD LYS 54 2HD LYS 54 -5.174 -18.222 10.525 399 2HD LYS 54 1HD LYS 54 -3.848 -17.059 10.486 400 1HE LYS 54 2HE LYS 54 -3.845 -16.798 12.799 401 2HE LYS 54 1HE LYS 54 -5.479 -17.436 12.966 402 1HZ LYS 54 1HZ LYS 54 -4.586 -19.624 12.275 403 2HZ LYS 54 2HZ LYS 54 -3.939 -19.066 13.737 404 3HZ LYS 54 3HZ LYS 54 -3.027 -18.970 12.312 405 H VAL 55 H VAL 55 -7.963 -14.594 10.164 406 HA VAL 55 HA VAL 55 -10.088 -13.946 8.365 407 HB VAL 55 HB VAL 55 -10.876 -12.935 11.003 408 1HG1 VAL 55 1HG1 VAL 55 -12.160 -13.906 8.505 409 2HG1 VAL 55 2HG1 VAL 55 -12.362 -12.380 9.367 410 3HG1 VAL 55 3HG1 VAL 55 -13.115 -13.849 9.990 411 1HG2 VAL 55 1HG2 VAL 55 -11.925 -14.902 11.826 412 2HG2 VAL 55 2HG2 VAL 55 -10.229 -15.286 11.543 413 3HG2 VAL 55 3HG2 VAL 55 -11.461 -15.817 10.393 414 H ASN 56 H ASN 56 -8.970 -12.603 11.423 415 HA ASN 56 HA ASN 56 -7.658 -10.775 11.893 416 1HB ASN 56 2HB ASN 56 -7.754 -9.910 9.017 417 2HB ASN 56 1HB ASN 56 -6.567 -9.498 10.244 418 1HD2 ASN 56 1HD2 ASN 56 -6.274 -12.174 11.248 419 2HD2 ASN 56 2HD2 ASN 56 -5.405 -13.068 10.043 420 H ASP 57 H ASP 57 -9.565 -10.185 13.010 421 HA ASP 57 HA ASP 57 -11.830 -8.991 12.041 422 1HB ASP 57 2HB ASP 57 -10.342 -8.579 14.624 423 2HB ASP 57 1HB ASP 57 -11.841 -7.712 14.279 424 H GLY 58 H GLY 58 -12.418 -7.024 11.295 425 1HA GLY 58 2HA GLY 58 -12.229 -4.831 10.596 426 2HA GLY 58 1HA GLY 58 -10.824 -4.672 11.651 427 H ASP 59 H ASP 59 -11.317 -7.005 9.065 428 HA ASP 59 HA ASP 59 -9.209 -5.700 7.479 429 1HB ASP 59 2HB ASP 59 -8.272 -7.649 8.770 430 2HB ASP 59 1HB ASP 59 -9.428 -8.688 7.939 431 H LEU 60 H LEU 60 -10.316 -5.025 5.714 432 HA LEU 60 HA LEU 60 -12.628 -6.234 4.701 433 1HB LEU 60 2HB LEU 60 -10.692 -4.640 3.045 434 2HB LEU 60 1HB LEU 60 -12.413 -4.825 2.793 435 HG LEU 60 HG LEU 60 -10.953 -2.964 4.551 436 1HD1 LEU 60 1HD1 LEU 60 -12.195 -2.272 2.555 437 2HD1 LEU 60 2HD1 LEU 60 -12.829 -1.534 4.019 438 3HD1 LEU 60 3HD1 LEU 60 -13.677 -2.890 3.274 439 1HD2 LEU 60 1HD2 LEU 60 -13.152 -2.829 5.954 440 2HD2 LEU 60 2HD2 LEU 60 -11.884 -3.974 6.398 441 3HD2 LEU 60 3HD2 LEU 60 -13.304 -4.530 5.511 442 H THR 61 H THR 61 -12.951 -7.597 2.848 443 HA THR 61 HA THR 61 -10.527 -8.936 1.910 444 HB THR 61 HB THR 61 -11.139 -11.043 2.564 445 HG1 THR 61 1HG THR 61 -13.832 -10.201 2.773 446 1HG2 THR 61 1HG2 THR 61 -11.658 -11.080 4.801 447 2HG2 THR 61 2HG2 THR 61 -12.780 -9.725 4.668 448 3HG2 THR 61 3HG2 THR 61 -11.042 -9.442 4.589 449 H ILE 62 H ILE 62 -10.455 -9.447 -0.125 450 HA ILE 62 HA ILE 62 -12.900 -9.305 -1.757 451 HB ILE 62 HB ILE 62 -10.877 -9.052 -3.572 452 1HG1 ILE 62 2HG1 ILE 62 -9.261 -8.847 -1.620 453 2HG1 ILE 62 1HG1 ILE 62 -9.196 -7.555 -2.812 454 1HG2 ILE 62 1HG2 ILE 62 -12.838 -7.305 -2.329 455 2HG2 ILE 62 2HG2 ILE 62 -12.400 -7.505 -4.025 456 3HG2 ILE 62 3HG2 ILE 62 -11.456 -6.433 -2.993 457 1HD1 ILE 62 1HD1 ILE 62 -9.477 -6.076 -1.198 458 2HD1 ILE 62 2HD1 ILE 62 -9.598 -7.376 -0.012 459 3HD1 ILE 62 3HD1 ILE 62 -11.048 -6.782 -0.820 460 H GLU 63 H GLU 63 -13.431 -11.231 -2.752 461 HA GLU 63 HA GLU 63 -12.007 -13.578 -2.211 462 1HB GLU 63 2HB GLU 63 -14.440 -13.306 -2.952 463 2HB GLU 63 1HB GLU 63 -13.810 -13.259 -4.591 464 1HG GLU 63 2HG GLU 63 -13.747 -15.465 -4.658 465 2HG GLU 63 1HG GLU 63 -12.676 -15.497 -3.260 466 H LYS 64 H LYS 64 -10.793 -14.975 -3.590 467 HA LYS 64 HA LYS 64 -9.385 -13.517 -5.721 468 1HB LYS 64 2HB LYS 64 -8.333 -15.718 -3.934 469 2HB LYS 64 1HB LYS 64 -7.436 -14.954 -5.247 470 1HG LYS 64 2HG LYS 64 -7.796 -12.765 -4.029 471 2HG LYS 64 1HG LYS 64 -8.356 -13.725 -2.665 472 1HD LYS 64 2HD LYS 64 -6.103 -13.349 -2.191 473 2HD LYS 64 1HD LYS 64 -6.108 -14.967 -2.881 474 1HE LYS 64 2HE LYS 64 -4.344 -13.965 -3.985 475 2HE LYS 64 1HE LYS 64 -5.668 -13.742 -5.122 476 1HZ LYS 64 1HZ LYS 64 -5.975 -11.500 -4.014 477 2HZ LYS 64 2HZ LYS 64 -4.606 -11.681 -4.990 478 3HZ LYS 64 3HZ LYS 64 -4.457 -11.748 -3.307 479 H SER 65 H SER 65 -8.294 -15.040 -7.297 480 HA SER 65 HA SER 65 -10.159 -16.325 -8.847 481 1HB SER 65 2HB SER 65 -7.462 -15.776 -9.036 482 2HB SER 65 1HB SER 65 -7.511 -17.537 -9.078 483 HG SER 65 HG SER 65 -7.802 -16.943 -11.154 484 H GLY 66 H GLY 66 -8.061 -17.742 -6.377 485 1HA GLY 66 2HA GLY 66 -9.756 -20.158 -6.495 486 2HA GLY 66 1HA GLY 66 -8.004 -20.290 -6.442 487 H VAL 67 H VAL 67 -9.059 -17.680 -4.611 488 HA VAL 67 HA VAL 67 -9.609 -19.164 -2.184 489 HB VAL 67 HB VAL 67 -7.734 -18.363 -0.911 490 1HG1 VAL 67 1HG1 VAL 67 -7.474 -20.456 -2.207 491 2HG1 VAL 67 2HG1 VAL 67 -5.946 -19.630 -1.891 492 3HG1 VAL 67 3HG1 VAL 67 -6.696 -19.521 -3.484 493 1HG2 VAL 67 1HG2 VAL 67 -6.009 -16.985 -1.745 494 2HG2 VAL 67 2HG2 VAL 67 -7.515 -16.218 -2.243 495 3HG2 VAL 67 3HG2 VAL 67 -6.575 -17.153 -3.406 496 H GLN 68 H GLN 68 -8.757 -16.883 -0.499 497 HA GLN 68 HA GLN 68 -10.557 -14.782 -1.460 498 1HB GLN 68 2HB GLN 68 -12.083 -15.250 0.080 499 2HB GLN 68 1HB GLN 68 -11.103 -16.581 0.667 500 1HG GLN 68 2HG GLN 68 -11.313 -15.412 2.565 501 2HG GLN 68 1HG GLN 68 -9.866 -14.629 1.953 502 1HE2 GLN 68 1HE2 GLN 68 -11.296 -13.145 -0.094 503 2HE2 GLN 68 2HE2 GLN 68 -12.148 -11.891 0.727 504 H LEU 69 H LEU 69 -9.755 -12.776 -1.250 505 HA LEU 69 HA LEU 69 -7.183 -12.501 0.109 506 1HB LEU 69 2HB LEU 69 -7.190 -11.732 -2.152 507 2HB LEU 69 1HB LEU 69 -8.625 -10.770 -1.887 508 HG LEU 69 HG LEU 69 -7.466 -9.086 -0.787 509 1HD1 LEU 69 1HD1 LEU 69 -6.082 -9.676 0.853 510 2HD1 LEU 69 2HD1 LEU 69 -4.842 -9.872 -0.383 511 3HD1 LEU 69 3HD1 LEU 69 -5.790 -11.257 0.134 512 1HD2 LEU 69 1HD2 LEU 69 -5.698 -8.465 -2.240 513 2HD2 LEU 69 2HD2 LEU 69 -6.859 -9.375 -3.208 514 3HD2 LEU 69 3HD2 LEU 69 -5.372 -10.148 -2.655 515 H VAL 70 H VAL 70 -6.873 -11.286 1.885 516 HA VAL 70 HA VAL 70 -9.016 -9.502 2.774 517 HB VAL 70 HB VAL 70 -9.403 -10.521 4.753 518 1HG1 VAL 70 1HG1 VAL 70 -9.857 -12.312 3.253 519 2HG1 VAL 70 2HG1 VAL 70 -9.084 -12.999 4.680 520 3HG1 VAL 70 3HG1 VAL 70 -8.155 -12.772 3.197 521 1HG2 VAL 70 1HG2 VAL 70 -7.734 -11.704 6.117 522 2HG2 VAL 70 2HG2 VAL 70 -7.208 -10.076 5.693 523 3HG2 VAL 70 3HG2 VAL 70 -6.542 -11.467 4.841 524 H ILE 71 H ILE 71 -8.112 -7.534 2.857 525 HA ILE 71 HA ILE 71 -5.315 -7.364 3.755 526 HB ILE 71 HB ILE 71 -4.934 -5.502 2.421 527 1HG1 ILE 71 2HG1 ILE 71 -6.903 -4.185 3.024 528 2HG1 ILE 71 1HG1 ILE 71 -6.686 -4.208 1.279 529 1HG2 ILE 71 1HG2 ILE 71 -5.589 -7.785 1.261 530 2HG2 ILE 71 2HG2 ILE 71 -5.153 -6.354 0.327 531 3HG2 ILE 71 3HG2 ILE 71 -6.850 -6.776 0.553 532 1HD1 ILE 71 1HD1 ILE 71 -8.929 -4.559 1.420 533 2HD1 ILE 71 2HD1 ILE 71 -8.806 -5.441 2.943 534 3HD1 ILE 71 3HD1 ILE 71 -8.355 -6.228 1.430 535 H ASP 72 H ASP 72 -4.664 -5.546 4.995 536 HA ASP 72 HA ASP 72 -6.537 -4.980 7.103 537 1HB ASP 72 2HB ASP 72 -4.627 -3.792 8.153 538 2HB ASP 72 1HB ASP 72 -4.226 -5.442 7.672 539 HA PRO 73 HA PRO 73 -8.327 -1.148 5.896 540 1HB PRO 73 2HB PRO 73 -7.530 -0.259 8.633 541 2HB PRO 73 1HB PRO 73 -9.097 -0.140 7.824 542 1HG PRO 73 2HG PRO 73 -8.676 -1.998 9.677 543 2HG PRO 73 1HG PRO 73 -9.615 -2.364 8.218 544 1HD PRO 73 2HD PRO 73 -6.836 -3.155 8.920 545 2HD PRO 73 1HD PRO 73 -8.057 -4.034 7.982 546 H MET 74 H MET 74 -5.188 -1.122 7.509 547 HA MET 74 HA MET 74 -4.431 1.488 6.983 548 1HB MET 74 2HB MET 74 -2.905 0.562 8.380 549 2HB MET 74 1HB MET 74 -3.079 -1.034 7.671 550 1HG MET 74 2HG MET 74 -1.380 -0.727 6.217 551 2HG MET 74 1HG MET 74 -1.670 1.003 6.048 552 1HE MET 74 1HE MET 74 -0.942 2.726 7.329 553 2HE MET 74 2HE MET 74 0.457 2.734 8.404 554 3HE MET 74 3HE MET 74 -1.151 2.403 9.050 555 H SER 75 H SER 75 -3.994 -1.444 5.080 556 HA SER 75 HA SER 75 -2.762 -0.089 2.884 557 1HB SER 75 2HB SER 75 -4.045 -2.832 2.983 558 2HB SER 75 1HB SER 75 -2.988 -2.230 1.705 559 HG SER 75 HG SER 75 -1.345 -2.749 2.892 560 H LEU 76 H LEU 76 -6.018 -0.915 3.819 561 HA LEU 76 HA LEU 76 -7.403 -0.847 1.478 562 1HB LEU 76 2HB LEU 76 -8.830 -1.271 3.143 563 2HB LEU 76 1HB LEU 76 -7.986 -0.236 4.269 564 HG LEU 76 HG LEU 76 -9.788 0.883 2.138 565 1HD1 LEU 76 1HD1 LEU 76 -11.188 -0.573 3.367 566 2HD1 LEU 76 2HD1 LEU 76 -11.444 1.039 4.036 567 3HD1 LEU 76 3HD1 LEU 76 -10.421 -0.118 4.888 568 1HD2 LEU 76 1HD2 LEU 76 -9.847 2.469 4.372 569 2HD2 LEU 76 2HD2 LEU 76 -8.849 2.739 2.942 570 3HD2 LEU 76 3HD2 LEU 76 -8.178 1.895 4.341 571 H GLN 77 H GLN 77 -6.347 2.003 3.324 572 HA GLN 77 HA GLN 77 -7.442 3.851 1.439 573 1HB GLN 77 2HB GLN 77 -5.250 4.434 3.433 574 2HB GLN 77 1HB GLN 77 -6.261 5.603 2.609 575 1HG GLN 77 2HG GLN 77 -7.464 5.602 4.464 576 2HG GLN 77 1HG GLN 77 -8.110 4.075 3.889 577 1HE2 GLN 77 1HE2 GLN 77 -5.369 2.853 4.308 578 2HE2 GLN 77 2HE2 GLN 77 -5.301 2.568 5.997 579 H TYR 78 H TYR 78 -4.529 2.020 1.658 580 HA TYR 78 HA TYR 78 -3.074 3.757 -0.122 581 1HB TYR 78 2HB TYR 78 -2.404 1.116 1.159 582 2HB TYR 78 1HB TYR 78 -1.324 1.941 0.033 583 HD1 TYR 78 1HD TYR 78 -3.387 3.046 2.964 584 HD2 TYR 78 2HD TYR 78 0.445 2.919 1.119 585 HE1 TYR 78 1HE TYR 78 -2.454 4.344 4.827 586 HE2 TYR 78 2HE TYR 78 1.388 4.219 2.979 587 HH TYR 78 HH TYR 78 0.909 4.734 5.297 588 H LEU 79 H LEU 79 -4.728 0.639 -0.323 589 HA LEU 79 HA LEU 79 -3.866 0.358 -3.082 590 1HB LEU 79 2HB LEU 79 -4.878 -1.834 -3.069 591 2HB LEU 79 1HB LEU 79 -3.763 -1.627 -1.752 592 HG LEU 79 HG LEU 79 -6.170 -2.825 -1.563 593 1HD1 LEU 79 1HD1 LEU 79 -4.266 -1.615 0.298 594 2HD1 LEU 79 2HD1 LEU 79 -4.920 -3.252 0.232 595 3HD1 LEU 79 3HD1 LEU 79 -5.861 -1.955 0.962 596 1HD2 LEU 79 1HD2 LEU 79 -7.691 -1.402 -0.315 597 2HD2 LEU 79 2HD2 LEU 79 -7.444 -0.784 -1.945 598 3HD2 LEU 79 3HD2 LEU 79 -6.630 -0.022 -0.580 599 H ILE 80 H ILE 80 -6.555 1.600 -1.446 600 HA ILE 80 HA ILE 80 -8.846 1.276 -2.519 601 HB ILE 80 HB ILE 80 -9.270 3.668 -2.914 602 1HG1 ILE 80 2HG1 ILE 80 -7.164 4.237 -3.984 603 2HG1 ILE 80 1HG1 ILE 80 -7.429 5.273 -2.582 604 1HG2 ILE 80 1HG2 ILE 80 -9.102 2.567 -0.613 605 2HG2 ILE 80 2HG2 ILE 80 -9.053 4.329 -0.690 606 3HG2 ILE 80 3HG2 ILE 80 -7.562 3.415 -0.470 607 1HD1 ILE 80 1HD1 ILE 80 -5.283 4.734 -2.184 608 2HD1 ILE 80 2HD1 ILE 80 -5.391 3.215 -3.081 609 3HD1 ILE 80 3HD1 ILE 80 -6.022 3.322 -1.441 610 H GLY 81 H GLY 81 -9.816 0.901 -4.234 611 1HA GLY 81 2HA GLY 81 -10.136 0.231 -6.409 612 2HA GLY 81 1HA GLY 81 -10.113 1.973 -6.604 613 H GLY 82 H GLY 82 -7.154 0.158 -5.869 614 1HA GLY 82 2HA GLY 82 -6.087 1.094 -8.422 615 2HA GLY 82 1HA GLY 82 -5.171 0.315 -7.134 616 H THR 83 H THR 83 -4.159 -1.059 -8.682 617 HA THR 83 HA THR 83 -5.740 -3.433 -9.251 618 HB THR 83 HB THR 83 -4.342 -1.833 -11.393 619 HG1 THR 83 1HG THR 83 -6.296 -1.556 -12.158 620 1HG2 THR 83 1HG2 THR 83 -3.773 -3.713 -12.413 621 2HG2 THR 83 2HG2 THR 83 -5.495 -4.048 -12.598 622 3HG2 THR 83 3HG2 THR 83 -4.613 -4.695 -11.211 623 H VAL 84 H VAL 84 -4.562 -5.253 -8.888 624 HA VAL 84 HA VAL 84 -1.638 -4.909 -8.728 625 HB VAL 84 HB VAL 84 -1.631 -5.525 -6.609 626 1HG1 VAL 84 1HG1 VAL 84 -3.979 -4.614 -6.607 627 2HG1 VAL 84 2HG1 VAL 84 -3.548 -5.690 -5.282 628 3HG1 VAL 84 3HG1 VAL 84 -4.526 -6.289 -6.620 629 1HG2 VAL 84 1HG2 VAL 84 -2.379 -7.834 -5.946 630 2HG2 VAL 84 2HG2 VAL 84 -1.200 -7.747 -7.255 631 3HG2 VAL 84 3HG2 VAL 84 -2.896 -8.050 -7.617 632 H ASP 85 H ASP 85 -0.323 -6.700 -9.175 633 HA ASP 85 HA ASP 85 -1.531 -9.052 -10.325 634 1HB ASP 85 2HB ASP 85 -0.004 -8.748 -12.411 635 2HB ASP 85 1HB ASP 85 -1.549 -7.903 -12.344 636 H TYR 86 H TYR 86 -0.178 -10.821 -10.373 637 HA TYR 86 HA TYR 86 2.480 -10.422 -9.170 638 1HB TYR 86 2HB TYR 86 0.298 -11.875 -8.209 639 2HB TYR 86 1HB TYR 86 1.411 -13.088 -8.821 640 HD1 TYR 86 1HD TYR 86 0.466 -11.424 -5.981 641 HD2 TYR 86 2HD TYR 86 3.984 -12.459 -8.124 642 HE1 TYR 86 1HE TYR 86 1.769 -11.257 -3.903 643 HE2 TYR 86 2HE TYR 86 5.302 -12.300 -6.059 644 HH TYR 86 HH TYR 86 4.174 -12.437 -3.138 645 H THR 87 H THR 87 4.192 -11.616 -9.971 646 HA THR 87 HA THR 87 3.730 -13.522 -12.108 647 HB THR 87 HB THR 87 5.349 -11.013 -12.566 648 HG1 THR 87 1HG THR 87 3.565 -10.270 -13.332 649 1HG2 THR 87 1HG2 THR 87 5.965 -11.768 -14.646 650 2HG2 THR 87 2HG2 THR 87 4.696 -12.991 -14.695 651 3HG2 THR 87 3HG2 THR 87 6.111 -13.230 -13.670 652 H GLU 88 H GLU 88 4.682 -15.039 -10.731 653 HA GLU 88 HA GLU 88 7.472 -14.579 -9.963 654 1HB GLU 88 2HB GLU 88 7.236 -16.476 -8.487 655 2HB GLU 88 1HB GLU 88 5.887 -15.378 -8.230 656 1HG GLU 88 2HG GLU 88 5.223 -17.340 -10.221 657 2HG GLU 88 1HG GLU 88 5.782 -18.116 -8.740 658 H GLY 89 H GLY 89 9.006 -16.408 -10.218 659 1HA GLY 89 2HA GLY 89 9.223 -18.621 -11.424 660 2HA GLY 89 1HA GLY 89 8.507 -17.767 -12.787 661 H LEU 90 H LEU 90 9.735 -15.983 -13.718 662 HA LEU 90 HA LEU 90 12.274 -16.683 -14.450 663 1HB LEU 90 2HB LEU 90 11.049 -15.121 -15.741 664 2HB LEU 90 1HB LEU 90 10.953 -13.977 -14.417 665 HG LEU 90 HG LEU 90 13.314 -13.474 -14.617 666 1HD1 LEU 90 1HD1 LEU 90 14.238 -15.600 -15.150 667 2HD1 LEU 90 2HD1 LEU 90 14.633 -14.503 -16.474 668 3HD1 LEU 90 3HD1 LEU 90 13.332 -15.679 -16.662 669 1HD2 LEU 90 1HD2 LEU 90 13.338 -12.756 -17.085 670 2HD2 LEU 90 2HD2 LEU 90 12.082 -12.101 -16.035 671 3HD2 LEU 90 3HD2 LEU 90 11.705 -13.421 -17.142 672 H GLU 91 H GLU 91 12.347 -13.506 -12.949 673 HA GLU 91 HA GLU 91 14.782 -14.176 -11.614 674 1HB GLU 91 2HB GLU 91 13.086 -11.678 -11.567 675 2HB GLU 91 1HB GLU 91 14.647 -11.825 -10.765 676 1HG GLU 91 2HG GLU 91 14.081 -11.946 -13.714 677 2HG GLU 91 1HG GLU 91 14.977 -10.708 -12.837 678 H GLY 92 H GLY 92 11.472 -14.291 -10.756 679 1HA GLY 92 2HA GLY 92 11.384 -15.686 -8.575 680 2HA GLY 92 1HA GLY 92 12.113 -14.234 -7.891 681 H SER 93 H SER 93 9.737 -15.191 -6.931 682 HA SER 93 HA SER 93 7.423 -14.156 -8.098 683 1HB SER 93 2HB SER 93 6.411 -14.379 -5.853 684 2HB SER 93 1HB SER 93 7.339 -15.809 -6.305 685 HG SER 93 HG SER 93 7.901 -15.267 -4.224 686 H ARG 94 H ARG 94 7.773 -12.072 -8.853 687 HA ARG 94 HA ARG 94 8.357 -10.008 -6.870 688 1HB ARG 94 2HB ARG 94 9.078 -8.677 -8.569 689 2HB ARG 94 1HB ARG 94 9.278 -10.221 -9.378 690 1HG ARG 94 2HG ARG 94 6.699 -8.741 -9.674 691 2HG ARG 94 1HG ARG 94 8.120 -8.224 -10.584 692 1HD ARG 94 2HD ARG 94 8.125 -10.938 -10.963 693 2HD ARG 94 1HD ARG 94 6.404 -10.558 -10.946 694 HE ARG 94 HE ARG 94 6.660 -9.602 -12.996 695 1HH1 ARG 94 1HH1 ARG 94 9.780 -9.683 -11.437 696 2HH1 ARG 94 2HH1 ARG 94 10.626 -9.071 -12.818 697 1HH2 ARG 94 1HH2 ARG 94 7.770 -8.797 -14.815 698 2HH2 ARG 94 2HH2 ARG 94 9.484 -8.567 -14.736 699 H PHE 95 H PHE 95 6.967 -7.997 -6.950 700 HA PHE 95 HA PHE 95 4.178 -8.622 -7.603 701 1HB PHE 95 2HB PHE 95 4.759 -9.070 -5.145 702 2HB PHE 95 1HB PHE 95 4.924 -7.326 -4.988 703 HD1 PHE 95 1HD PHE 95 3.154 -6.712 -3.627 704 HD2 PHE 95 2HD PHE 95 2.435 -9.259 -6.969 705 HE1 PHE 95 1HE PHE 95 0.736 -6.510 -3.254 706 HE2 PHE 95 2HE PHE 95 0.016 -9.055 -6.602 707 HZ PHE 95 HZ PHE 95 -0.837 -7.675 -4.753 708 H THR 96 H THR 96 3.068 -6.964 -8.476 709 HA THR 96 HA THR 96 4.063 -4.244 -8.066 710 HB THR 96 HB THR 96 3.420 -5.097 -10.861 711 HG1 THR 96 1HG THR 96 5.280 -6.031 -11.093 712 1HG2 THR 96 1HG2 THR 96 3.593 -2.781 -10.724 713 2HG2 THR 96 2HG2 THR 96 5.166 -3.313 -11.323 714 3HG2 THR 96 3HG2 THR 96 4.978 -2.859 -9.628 715 H VAL 97 H VAL 97 2.441 -3.027 -7.494 716 HA VAL 97 HA VAL 97 -0.266 -3.689 -8.435 717 HB VAL 97 HB VAL 97 0.375 -1.827 -6.152 718 1HG1 VAL 97 1HG1 VAL 97 -2.078 -3.151 -7.199 719 2HG1 VAL 97 2HG1 VAL 97 -1.840 -1.488 -6.650 720 3HG1 VAL 97 3HG1 VAL 97 -1.959 -2.799 -5.476 721 1HG2 VAL 97 1HG2 VAL 97 0.940 -4.573 -6.179 722 2HG2 VAL 97 2HG2 VAL 97 -0.548 -4.393 -5.252 723 3HG2 VAL 97 3HG2 VAL 97 0.896 -3.496 -4.785 724 H ASN 98 H ASN 98 -1.688 -1.678 -8.652 725 HA ASN 98 HA ASN 98 -0.130 0.479 -9.911 726 1HB ASN 98 2HB ASN 98 -2.525 -1.018 -10.906 727 2HB ASN 98 1HB ASN 98 -2.328 0.678 -11.357 728 1HD2 ASN 98 1HD2 ASN 98 -1.564 -2.471 -12.158 729 2HD2 ASN 98 2HD2 ASN 98 -0.258 -2.161 -13.232 730 H ASN 99 H ASN 99 -1.602 2.497 -10.191 731 HA ASN 99 HA ASN 99 -2.796 4.159 -9.193 732 1HB ASN 99 2HB ASN 99 -4.870 3.330 -8.908 733 2HB ASN 99 1HB ASN 99 -4.239 1.722 -8.579 734 1HD2 ASN 99 1HD2 ASN 99 -3.631 1.243 -6.349 735 2HD2 ASN 99 2HD2 ASN 99 -4.477 2.027 -5.073 736 HA PRO 100 HA PRO 100 0.305 4.523 -5.894 737 1HB PRO 100 2HB PRO 100 -0.425 7.185 -5.390 738 2HB PRO 100 1HB PRO 100 0.878 6.649 -6.457 739 1HG PRO 100 2HG PRO 100 -1.898 7.492 -7.126 740 2HG PRO 100 1HG PRO 100 -0.398 7.727 -8.041 741 1HD PRO 100 2HD PRO 100 -2.212 5.887 -8.761 742 2HD PRO 100 1HD PRO 100 -0.469 5.593 -8.945 743 H ASN 101 H ASN 101 -3.008 5.672 -5.814 744 HA ASN 101 HA ASN 101 -3.930 4.257 -3.691 745 1HB ASN 101 2HB ASN 101 -3.923 6.164 -1.904 746 2HB ASN 101 1HB ASN 101 -2.508 5.123 -2.069 747 1HD2 ASN 101 1HD2 ASN 101 -3.160 7.460 -4.522 748 2HD2 ASN 101 2HD2 ASN 101 -1.911 8.579 -4.088 749 H ALA 102 H ALA 102 -4.731 5.593 -6.155 750 HA ALA 102 HA ALA 102 -6.556 6.579 -7.066 751 1HB ALA 102 1HB ALA 102 -8.620 6.628 -5.759 752 2HB ALA 102 2HB ALA 102 -7.704 6.270 -4.296 753 3HB ALA 102 3HB ALA 102 -7.788 5.081 -5.597 754 H THR 103 H THR 103 -4.798 8.390 -6.876 755 HA THR 103 HA THR 103 -6.216 10.768 -5.991 756 HB THR 103 HB THR 103 -4.224 11.680 -4.842 757 HG1 THR 103 1HG THR 103 -2.428 10.548 -4.641 758 1HG2 THR 103 1HG2 THR 103 -5.853 10.687 -3.403 759 2HG2 THR 103 2HG2 THR 103 -4.245 10.244 -2.830 760 3HG2 THR 103 3HG2 THR 103 -5.217 9.074 -3.722 761 H SER 104 H SER 104 -3.240 9.489 -7.445 762 HA SER 104 HA SER 104 -3.596 11.251 -9.721 763 1HB SER 104 2HB SER 104 -2.227 12.530 -8.020 764 2HB SER 104 1HB SER 104 -0.976 11.303 -8.215 765 HG SER 104 HG SER 104 -1.649 13.385 -9.847 766 H THR 105 H THR 105 -3.996 9.110 -10.616 767 HA THR 105 HA THR 105 -2.134 7.032 -10.661 768 HB THR 105 HB THR 105 -3.337 6.657 -13.023 769 HG1 THR 105 1HG THR 105 -4.303 8.818 -12.784 770 1HG2 THR 105 1HG2 THR 105 -4.367 5.059 -11.905 771 2HG2 THR 105 2HG2 THR 105 -5.394 6.241 -11.092 772 3HG2 THR 105 3HG2 THR 105 -3.833 5.803 -10.399 773 H CYS 106 H CYS 106 -0.643 6.357 -12.260 774 HA CYS 106 HA CYS 106 0.186 8.326 -14.247 775 1HB CYS 106 2HB CYS 106 2.553 8.167 -13.539 776 2HB CYS 106 1HB CYS 106 1.534 8.901 -12.306 777 HG CYS 106 HG CYS 106 3.312 6.706 -11.732 778 H GLY 107 H GLY 107 0.397 7.299 -16.116 779 1HA GLY 107 2HA GLY 107 2.021 5.374 -16.931 780 2HA GLY 107 1HA GLY 107 0.792 4.403 -16.123 781 H CYS 108 H CYS 108 -1.222 6.556 -17.020 782 HA CYS 108 HA CYS 108 -2.732 6.799 -18.703 783 1HB CYS 108 2HB CYS 108 -0.386 6.219 -20.523 784 2HB CYS 108 1HB CYS 108 -1.881 7.037 -20.963 785 HG CYS 108 HG CYS 108 0.149 8.718 -20.479 786 H GLY 109 H GLY 109 -2.315 4.166 -17.529 787 1HA GLY 109 2HA GLY 109 -3.073 2.458 -19.819 788 2HA GLY 109 1HA GLY 109 -2.301 1.862 -18.353 789 H SER 110 H SER 110 -4.981 1.418 -19.831 790 HA SER 110 HA SER 110 -6.495 0.755 -17.559 791 1HB SER 110 2HB SER 110 -6.925 3.455 -18.669 792 2HB SER 110 1HB SER 110 -8.394 2.509 -18.426 793 HG SER 110 HG SER 110 -7.368 3.860 -16.608 794 H SER 111 H SER 111 -6.808 1.822 -20.935 795 HA SER 111 HA SER 111 -8.644 -0.427 -21.408 796 1HB SER 111 2HB SER 111 -8.217 1.758 -23.412 797 2HB SER 111 1HB SER 111 -9.656 0.788 -23.105 798 HG SER 111 HG SER 111 -8.617 2.857 -21.463 799 H PHE 112 H PHE 112 -8.446 -0.845 -24.044 800 HA PHE 112 HA PHE 112 -7.259 -1.961 -25.634 801 1HB PHE 112 2HB PHE 112 -4.848 -0.453 -24.618 802 2HB PHE 112 1HB PHE 112 -5.081 -1.141 -26.219 803 HD1 PHE 112 1HD PHE 112 -6.999 -0.179 -27.634 804 HD2 PHE 112 2HD PHE 112 -5.395 1.763 -24.204 805 HE1 PHE 112 1HE PHE 112 -7.915 1.964 -28.424 806 HE2 PHE 112 2HE PHE 112 -6.308 3.909 -24.986 807 HZ PHE 112 HZ PHE 112 -7.571 4.011 -27.099 808 H SER 113 H SER 113 -4.778 -3.021 -25.787 809 HA SER 113 HA SER 113 -4.924 -5.162 -23.864 810 1HB SER 113 2HB SER 113 -3.299 -6.271 -25.220 811 2HB SER 113 1HB SER 113 -4.398 -5.456 -26.332 812 HG SER 113 HG SER 113 -2.625 -4.633 -27.104 813 H ILE 114 H ILE 114 -2.268 -5.851 -23.578 814 HA ILE 114 HA ILE 114 -1.491 -4.563 -21.287 815 HB ILE 114 HB ILE 114 0.648 -5.620 -21.487 816 1HG1 ILE 114 2HG1 ILE 114 1.102 -4.945 -23.845 817 2HG1 ILE 114 1HG1 ILE 114 1.478 -6.633 -23.522 818 1HG2 ILE 114 1HG2 ILE 114 -0.406 -7.903 -22.635 819 2HG2 ILE 114 2HG2 ILE 114 -1.819 -7.026 -22.048 820 3HG2 ILE 114 3HG2 ILE 114 -0.511 -7.434 -20.938 821 1HD1 ILE 114 1HD1 ILE 114 -0.899 -7.077 -24.440 822 2HD1 ILE 114 2HD1 ILE 114 0.416 -6.727 -25.561 823 3HD1 ILE 114 3HD1 ILE 114 -0.740 -5.465 -25.137 Start of MODEL 18 1 1H MET 1 1HT MET 1 -27.242 -10.054 -9.998 2 2H MET 1 2HT MET 1 -27.406 -9.327 -8.455 3 3H MET 1 3HT MET 1 -27.266 -11.026 -8.584 4 HA MET 1 HA MET 1 -25.060 -10.894 -9.272 5 1HB MET 1 2HB MET 1 -25.831 -8.055 -9.723 6 2HB MET 1 1HB MET 1 -24.159 -8.383 -9.281 7 1HG MET 1 2HG MET 1 -25.630 -9.565 -11.624 8 2HG MET 1 1HG MET 1 -24.453 -8.259 -11.690 9 1HE MET 1 1HE MET 1 -21.828 -8.694 -11.921 10 2HE MET 1 2HE MET 1 -21.105 -9.949 -10.915 11 3HE MET 1 3HE MET 1 -22.133 -8.714 -10.185 12 H ILE 2 H ILE 2 -23.173 -9.551 -8.000 13 HA ILE 2 HA ILE 2 -23.936 -9.819 -5.187 14 HB ILE 2 HB ILE 2 -21.099 -9.361 -5.723 15 1HG1 ILE 2 2HG1 ILE 2 -21.550 -10.583 -7.776 16 2HG1 ILE 2 1HG1 ILE 2 -20.676 -11.616 -6.644 17 1HG2 ILE 2 1HG2 ILE 2 -22.543 -10.363 -3.696 18 2HG2 ILE 2 2HG2 ILE 2 -20.831 -10.712 -3.941 19 3HG2 ILE 2 3HG2 ILE 2 -22.057 -11.859 -4.490 20 1HD1 ILE 2 1HD1 ILE 2 -22.246 -13.096 -7.293 21 2HD1 ILE 2 2HD1 ILE 2 -23.423 -11.843 -7.697 22 3HD1 ILE 2 3HD1 ILE 2 -23.177 -12.314 -6.018 23 H ASP 3 H ASP 3 -21.828 -8.352 -4.092 24 HA ASP 3 HA ASP 3 -21.556 -5.732 -5.001 25 1HB ASP 3 2HB ASP 3 -24.152 -6.135 -4.170 26 2HB ASP 3 1HB ASP 3 -23.391 -5.444 -2.740 27 H ASP 4 H ASP 4 -21.915 -7.813 -2.185 28 HA ASP 4 HA ASP 4 -20.487 -6.290 -0.332 29 1HB ASP 4 2HB ASP 4 -21.217 -9.156 -0.601 30 2HB ASP 4 1HB ASP 4 -19.925 -8.766 0.529 31 H MET 5 H MET 5 -19.249 -9.175 -2.013 32 HA MET 5 HA MET 5 -16.565 -8.730 -1.390 33 1HB MET 5 2HB MET 5 -17.890 -10.295 -3.591 34 2HB MET 5 1HB MET 5 -16.141 -10.243 -3.414 35 1HG MET 5 2HG MET 5 -18.098 -11.223 -1.349 36 2HG MET 5 1HG MET 5 -17.085 -12.231 -2.377 37 1HE MET 5 1HE MET 5 -16.080 -9.103 0.475 38 2HE MET 5 2HE MET 5 -16.376 -10.464 1.560 39 3HE MET 5 3HE MET 5 -17.603 -9.989 0.388 40 H ALA 6 H ALA 6 -14.821 -8.386 -3.076 41 HA ALA 6 HA ALA 6 -13.755 -7.000 -4.541 42 1HB ALA 6 1HB ALA 6 -16.476 -6.437 -5.703 43 2HB ALA 6 2HB ALA 6 -15.488 -7.836 -6.123 44 3HB ALA 6 3HB ALA 6 -14.914 -6.209 -6.483 45 H VAL 7 H VAL 7 -14.071 -6.022 -2.135 46 HA VAL 7 HA VAL 7 -15.529 -3.608 -1.981 47 HB VAL 7 HB VAL 7 -13.355 -3.689 -0.057 48 1HG1 VAL 7 1HG1 VAL 7 -15.534 -2.456 0.061 49 2HG1 VAL 7 2HG1 VAL 7 -15.115 -3.392 1.496 50 3HG1 VAL 7 3HG1 VAL 7 -16.312 -4.013 0.358 51 1HG2 VAL 7 1HG2 VAL 7 -13.320 -6.060 -0.308 52 2HG2 VAL 7 2HG2 VAL 7 -15.080 -6.144 -0.334 53 3HG2 VAL 7 3HG2 VAL 7 -14.240 -5.704 1.153 54 HA PRO 8 HA PRO 8 -11.678 -1.156 -2.880 55 1HB PRO 8 2HB PRO 8 -9.421 -1.657 -1.677 56 2HB PRO 8 1HB PRO 8 -10.877 -1.532 -0.681 57 1HG PRO 8 2HG PRO 8 -9.403 -3.976 -1.570 58 2HG PRO 8 1HG PRO 8 -10.197 -3.650 -0.018 59 1HD PRO 8 2HD PRO 8 -11.294 -4.993 -2.307 60 2HD PRO 8 1HD PRO 8 -12.111 -4.611 -0.782 61 H LEU 9 H LEU 9 -8.720 -2.300 -2.952 62 HA LEU 9 HA LEU 9 -8.322 -2.285 -5.692 63 1HB LEU 9 2HB LEU 9 -6.654 -1.862 -3.878 64 2HB LEU 9 1HB LEU 9 -6.602 -3.586 -3.583 65 HG LEU 9 HG LEU 9 -4.851 -3.648 -4.960 66 1HD1 LEU 9 1HD1 LEU 9 -6.289 -4.602 -6.556 67 2HD1 LEU 9 2HD1 LEU 9 -5.285 -3.445 -7.419 68 3HD1 LEU 9 3HD1 LEU 9 -6.944 -3.032 -7.012 69 1HD2 LEU 9 1HD2 LEU 9 -4.393 -1.665 -6.557 70 2HD2 LEU 9 2HD2 LEU 9 -4.204 -1.441 -4.819 71 3HD2 LEU 9 3HD2 LEU 9 -5.654 -0.860 -5.631 72 H THR 10 H THR 10 -8.570 -3.749 -7.239 73 HA THR 10 HA THR 10 -9.039 -6.550 -6.498 74 HB THR 10 HB THR 10 -9.640 -5.016 -9.029 75 HG1 THR 10 1HG THR 10 -11.060 -4.871 -7.123 76 1HG2 THR 10 1HG2 THR 10 -9.498 -6.950 -10.113 77 2HG2 THR 10 2HG2 THR 10 -10.963 -7.404 -9.240 78 3HG2 THR 10 3HG2 THR 10 -9.379 -7.881 -8.619 79 H PHE 11 H PHE 11 -7.430 -7.948 -6.791 80 HA PHE 11 HA PHE 11 -5.073 -7.128 -8.288 81 1HB PHE 11 2HB PHE 11 -3.950 -8.928 -7.211 82 2HB PHE 11 1HB PHE 11 -4.957 -8.165 -5.990 83 HD1 PHE 11 1HD PHE 11 -7.087 -9.269 -5.318 84 HD2 PHE 11 2HD PHE 11 -4.219 -11.115 -7.836 85 HE1 PHE 11 1HE PHE 11 -8.108 -11.462 -4.859 86 HE2 PHE 11 2HE PHE 11 -5.210 -13.304 -7.392 87 HZ PHE 11 HZ PHE 11 -7.169 -13.485 -5.903 88 H THR 12 H THR 12 -3.964 -9.208 -9.383 89 HA THR 12 HA THR 12 -5.746 -9.855 -11.578 90 HB THR 12 HB THR 12 -3.289 -9.189 -11.791 91 HG1 THR 12 1HG THR 12 -3.247 -11.367 -13.281 92 1HG2 THR 12 1HG2 THR 12 -1.625 -10.894 -11.679 93 2HG2 THR 12 2HG2 THR 12 -2.820 -12.097 -11.206 94 3HG2 THR 12 3HG2 THR 12 -2.415 -10.785 -10.106 95 H ASP 13 H ASP 13 -4.640 -12.352 -12.346 96 HA ASP 13 HA ASP 13 -6.117 -14.088 -10.534 97 1HB ASP 13 2HB ASP 13 -6.459 -14.135 -13.041 98 2HB ASP 13 1HB ASP 13 -4.833 -14.803 -13.180 99 H ALA 14 H ALA 14 -2.910 -13.753 -11.928 100 HA ALA 14 HA ALA 14 -1.755 -16.050 -10.847 101 1HB ALA 14 1HB ALA 14 0.359 -15.094 -11.397 102 2HB ALA 14 2HB ALA 14 -0.304 -13.460 -11.369 103 3HB ALA 14 3HB ALA 14 -0.787 -14.583 -12.640 104 H ALA 15 H ALA 15 -2.033 -12.770 -9.500 105 HA ALA 15 HA ALA 15 -0.426 -13.112 -7.262 106 1HB ALA 15 1HB ALA 15 -1.142 -11.065 -6.758 107 2HB ALA 15 2HB ALA 15 -2.798 -11.630 -6.565 108 3HB ALA 15 3HB ALA 15 -2.207 -11.157 -8.163 109 H ALA 16 H ALA 16 -3.600 -14.289 -8.004 110 HA ALA 16 HA ALA 16 -4.231 -15.274 -5.374 111 1HB ALA 16 1HB ALA 16 -5.970 -14.800 -7.073 112 2HB ALA 16 2HB ALA 16 -6.031 -16.458 -6.495 113 3HB ALA 16 3HB ALA 16 -5.305 -16.091 -8.062 114 H ASN 17 H ASN 17 -2.925 -16.498 -8.364 115 HA ASN 17 HA ASN 17 -2.790 -19.201 -7.864 116 1HB ASN 17 2HB ASN 17 -1.130 -17.344 -9.533 117 2HB ASN 17 1HB ASN 17 -0.699 -19.040 -9.399 118 1HD2 ASN 17 1HD2 ASN 17 -3.723 -17.223 -9.770 119 2HD2 ASN 17 2HD2 ASN 17 -4.270 -18.102 -11.145 120 H LYS 18 H LYS 18 -0.211 -16.766 -7.202 121 HA LYS 18 HA LYS 18 1.610 -18.572 -6.113 122 1HB LYS 18 2HB LYS 18 2.553 -16.617 -4.885 123 2HB LYS 18 1HB LYS 18 2.350 -16.357 -6.610 124 1HG LYS 18 2HG LYS 18 1.551 -14.388 -5.789 125 2HG LYS 18 1HG LYS 18 0.062 -15.329 -5.872 126 1HD LYS 18 2HD LYS 18 -0.144 -14.570 -3.744 127 2HD LYS 18 1HD LYS 18 0.829 -16.002 -3.408 128 1HE LYS 18 2HE LYS 18 1.663 -13.128 -3.506 129 2HE LYS 18 1HE LYS 18 1.887 -14.304 -2.215 130 1HZ LYS 18 1HZ LYS 18 3.494 -15.465 -3.591 131 2HZ LYS 18 2HZ LYS 18 3.956 -13.854 -3.376 132 3HZ LYS 18 3HZ LYS 18 3.274 -14.347 -4.843 133 H VAL 19 H VAL 19 -1.201 -17.024 -4.726 134 HA VAL 19 HA VAL 19 -0.674 -17.812 -2.036 135 HB VAL 19 HB VAL 19 -3.300 -17.080 -3.337 136 1HG1 VAL 19 1HG1 VAL 19 -2.630 -17.969 -0.660 137 2HG1 VAL 19 2HG1 VAL 19 -4.208 -17.765 -1.418 138 3HG1 VAL 19 3HG1 VAL 19 -3.411 -16.388 -0.655 139 1HG2 VAL 19 1HG2 VAL 19 -2.330 -15.068 -3.507 140 2HG2 VAL 19 2HG2 VAL 19 -1.037 -15.489 -2.390 141 3HG2 VAL 19 3HG2 VAL 19 -2.598 -14.970 -1.770 142 H LYS 20 H LYS 20 -3.314 -18.864 -4.153 143 HA LYS 20 HA LYS 20 -4.004 -21.154 -2.765 144 1HB LYS 20 2HB LYS 20 -4.936 -21.920 -5.009 145 2HB LYS 20 1HB LYS 20 -5.532 -20.392 -4.377 146 1HG LYS 20 2HG LYS 20 -4.944 -19.401 -6.267 147 2HG LYS 20 1HG LYS 20 -3.259 -19.823 -5.957 148 1HD LYS 20 2HD LYS 20 -5.282 -21.594 -7.330 149 2HD LYS 20 1HD LYS 20 -4.048 -20.634 -8.148 150 1HE LYS 20 2HE LYS 20 -2.333 -21.884 -6.800 151 2HE LYS 20 1HE LYS 20 -3.635 -22.949 -6.266 152 1HZ LYS 20 1HZ LYS 20 -3.935 -23.780 -8.392 153 2HZ LYS 20 2HZ LYS 20 -2.254 -23.661 -8.274 154 3HZ LYS 20 3HZ LYS 20 -3.124 -22.495 -9.137 155 H SER 21 H SER 21 -1.280 -20.648 -4.804 156 HA SER 21 HA SER 21 -0.962 -23.444 -5.376 157 1HB SER 21 2HB SER 21 -0.366 -21.750 -7.069 158 2HB SER 21 1HB SER 21 0.911 -21.163 -6.007 159 HG SER 21 HG SER 21 1.173 -23.008 -7.775 160 H LEU 22 H LEU 22 0.742 -21.020 -3.430 161 HA LEU 22 HA LEU 22 2.596 -23.024 -2.505 162 1HB LEU 22 2HB LEU 22 3.913 -21.342 -1.850 163 2HB LEU 22 1HB LEU 22 2.861 -20.364 -2.837 164 HG LEU 22 HG LEU 22 3.341 -19.294 -0.708 165 1HD1 LEU 22 1HD1 LEU 22 1.323 -18.599 -1.571 166 2HD1 LEU 22 2HD1 LEU 22 0.913 -19.071 0.074 167 3HD1 LEU 22 3HD1 LEU 22 0.542 -20.143 -1.272 168 1HD2 LEU 22 1HD2 LEU 22 3.177 -20.242 1.313 169 2HD2 LEU 22 2HD2 LEU 22 3.275 -21.757 0.417 170 3HD2 LEU 22 3HD2 LEU 22 1.702 -21.123 0.909 171 H ILE 23 H ILE 23 -0.404 -21.656 -1.470 172 HA ILE 23 HA ILE 23 -0.170 -22.425 1.247 173 HB ILE 23 HB ILE 23 -2.594 -22.064 1.349 174 1HG1 ILE 23 2HG1 ILE 23 -3.288 -20.812 -0.941 175 2HG1 ILE 23 1HG1 ILE 23 -2.231 -22.072 -1.576 176 1HG2 ILE 23 1HG2 ILE 23 -0.617 -20.105 0.430 177 2HG2 ILE 23 2HG2 ILE 23 -1.674 -20.066 1.833 178 3HG2 ILE 23 3HG2 ILE 23 -2.294 -19.610 0.248 179 1HD1 ILE 23 1HD1 ILE 23 -3.872 -23.535 -1.417 180 2HD1 ILE 23 2HD1 ILE 23 -4.938 -22.273 -0.797 181 3HD1 ILE 23 3HD1 ILE 23 -3.986 -23.249 0.310 182 H SER 24 H SER 24 -1.791 -23.770 -1.585 183 HA SER 24 HA SER 24 -2.822 -26.063 -0.365 184 1HB SER 24 2HB SER 24 -2.197 -25.225 -3.156 185 2HB SER 24 1HB SER 24 -2.415 -26.949 -2.863 186 HG SER 24 HG SER 24 -4.420 -26.183 -3.306 187 H GLU 25 H GLU 25 0.331 -25.133 -1.322 188 HA GLU 25 HA GLU 25 1.442 -27.773 -1.338 189 1HB GLU 25 2HB GLU 25 2.237 -25.239 -2.285 190 2HB GLU 25 1HB GLU 25 3.421 -25.709 -1.067 191 1HG GLU 25 2HG GLU 25 3.530 -27.943 -2.315 192 2HG GLU 25 1HG GLU 25 2.717 -27.083 -3.632 193 H GLU 26 H GLU 26 0.723 -25.343 0.975 194 HA GLU 26 HA GLU 26 2.700 -26.206 2.887 195 1HB GLU 26 2HB GLU 26 0.291 -24.448 3.235 196 2HB GLU 26 1HB GLU 26 1.569 -24.670 4.422 197 1HG GLU 26 2HG GLU 26 2.657 -23.879 1.877 198 2HG GLU 26 1HG GLU 26 1.419 -22.742 2.405 199 H GLU 27 H GLU 27 -0.384 -27.168 1.872 200 HA GLU 27 HA GLU 27 -1.597 -29.021 2.462 201 1HB GLU 27 2HB GLU 27 0.657 -29.826 3.494 202 2HB GLU 27 1HB GLU 27 -0.063 -29.330 5.016 203 1HG GLU 27 2HG GLU 27 -2.038 -30.804 4.368 204 2HG GLU 27 1HG GLU 27 -0.967 -31.480 3.135 205 H ASN 28 H ASN 28 -1.549 -26.094 3.644 206 HA ASN 28 HA ASN 28 -2.843 -26.137 6.111 207 1HB ASN 28 2HB ASN 28 -3.797 -24.115 4.150 208 2HB ASN 28 1HB ASN 28 -3.289 -23.904 5.819 209 1HD2 ASN 28 1HD2 ASN 28 -2.514 -23.485 2.631 210 2HD2 ASN 28 2HD2 ASN 28 -0.854 -23.073 2.819 211 H THR 29 H THR 29 -4.445 -25.468 3.030 212 HA THR 29 HA THR 29 -6.311 -27.428 2.860 213 HB THR 29 HB THR 29 -7.164 -27.217 5.028 214 HG1 THR 29 1HG THR 29 -9.062 -27.138 4.152 215 1HG2 THR 29 1HG2 THR 29 -7.892 -24.463 5.245 216 2HG2 THR 29 2HG2 THR 29 -6.157 -24.606 4.930 217 3HG2 THR 29 3HG2 THR 29 -6.877 -25.439 6.304 218 H ASP 30 H ASP 30 -6.291 -23.877 3.108 219 HA ASP 30 HA ASP 30 -6.685 -23.293 0.439 220 1HB ASP 30 2HB ASP 30 -9.127 -24.229 1.708 221 2HB ASP 30 1HB ASP 30 -9.299 -22.566 1.156 222 H LEU 31 H LEU 31 -5.131 -22.075 1.763 223 HA LEU 31 HA LEU 31 -5.800 -20.188 3.653 224 1HB LEU 31 2HB LEU 31 -3.565 -20.972 2.129 225 2HB LEU 31 1HB LEU 31 -3.639 -19.234 2.086 226 HG LEU 31 HG LEU 31 -2.244 -19.842 3.910 227 1HD1 LEU 31 1HD1 LEU 31 -3.310 -18.732 5.684 228 2HD1 LEU 31 2HD1 LEU 31 -4.905 -19.264 5.155 229 3HD1 LEU 31 3HD1 LEU 31 -4.020 -18.068 4.221 230 1HD2 LEU 31 1HD2 LEU 31 -2.477 -21.722 5.057 231 2HD2 LEU 31 2HD2 LEU 31 -3.864 -22.125 4.033 232 3HD2 LEU 31 3HD2 LEU 31 -4.104 -21.282 5.567 233 H LYS 32 H LYS 32 -5.911 -17.975 3.610 234 HA LYS 32 HA LYS 32 -6.970 -16.823 1.119 235 1HB LYS 32 2HB LYS 32 -7.679 -15.526 3.683 236 2HB LYS 32 1HB LYS 32 -8.656 -15.786 2.250 237 1HG LYS 32 2HG LYS 32 -9.584 -17.639 3.073 238 2HG LYS 32 1HG LYS 32 -8.053 -18.249 3.697 239 1HD LYS 32 2HD LYS 32 -9.682 -17.805 5.489 240 2HD LYS 32 1HD LYS 32 -8.235 -16.807 5.639 241 1HE LYS 32 2HE LYS 32 -9.537 -15.018 4.377 242 2HE LYS 32 1HE LYS 32 -10.965 -16.004 4.688 243 1HZ LYS 32 1HZ LYS 32 -9.300 -15.451 6.998 244 2HZ LYS 32 2HZ LYS 32 -10.982 -15.443 6.851 245 3HZ LYS 32 3HZ LYS 32 -10.087 -14.106 6.338 246 H LEU 33 H LEU 33 -5.726 -15.250 0.299 247 HA LEU 33 HA LEU 33 -3.356 -14.415 1.477 248 1HB LEU 33 2HB LEU 33 -4.136 -14.334 -0.966 249 2HB LEU 33 1HB LEU 33 -4.890 -12.816 -0.542 250 HG LEU 33 HG LEU 33 -2.627 -12.674 -1.652 251 1HD1 LEU 33 1HD1 LEU 33 -3.637 -11.239 0.654 252 2HD1 LEU 33 2HD1 LEU 33 -2.914 -10.634 -0.827 253 3HD1 LEU 33 3HD1 LEU 33 -1.885 -11.133 0.510 254 1HD2 LEU 33 1HD2 LEU 33 -0.825 -13.636 -0.775 255 2HD2 LEU 33 2HD2 LEU 33 -1.912 -14.497 0.313 256 3HD2 LEU 33 3HD2 LEU 33 -1.171 -12.982 0.825 257 H ARG 34 H ARG 34 -2.738 -12.589 2.569 258 HA ARG 34 HA ARG 34 -4.837 -10.711 3.356 259 1HB ARG 34 2HB ARG 34 -4.642 -12.273 5.205 260 2HB ARG 34 1HB ARG 34 -2.901 -12.045 5.248 261 1HG ARG 34 2HG ARG 34 -4.501 -9.595 5.534 262 2HG ARG 34 1HG ARG 34 -4.635 -10.757 6.854 263 1HD ARG 34 2HD ARG 34 -1.887 -10.452 6.061 264 2HD ARG 34 1HD ARG 34 -2.598 -8.880 6.422 265 HE ARG 34 HE ARG 34 -3.332 -10.590 8.478 266 1HH1 ARG 34 1HH1 ARG 34 -0.390 -9.261 7.149 267 2HH1 ARG 34 2HH1 ARG 34 0.456 -9.299 8.659 268 1HH2 ARG 34 1HH2 ARG 34 -2.222 -10.634 10.464 269 2HH2 ARG 34 2HH2 ARG 34 -0.584 -10.075 10.539 270 H VAL 35 H VAL 35 -4.067 -9.132 2.082 271 HA VAL 35 HA VAL 35 -1.323 -8.451 1.858 272 HB VAL 35 HB VAL 35 -3.675 -6.711 1.177 273 1HG1 VAL 35 1HG1 VAL 35 -2.079 -5.914 -0.606 274 2HG1 VAL 35 2HG1 VAL 35 -0.815 -6.803 0.243 275 3HG1 VAL 35 3HG1 VAL 35 -1.652 -5.476 1.048 276 1HG2 VAL 35 1HG2 VAL 35 -4.076 -8.813 0.141 277 2HG2 VAL 35 2HG2 VAL 35 -2.397 -8.932 -0.387 278 3HG2 VAL 35 3HG2 VAL 35 -3.462 -7.718 -1.098 279 H TYR 36 H TYR 36 -0.280 -6.593 2.466 280 HA TYR 36 HA TYR 36 -1.460 -4.897 4.520 281 1HB TYR 36 2HB TYR 36 0.982 -5.117 5.616 282 2HB TYR 36 1HB TYR 36 -0.372 -6.124 6.108 283 HD1 TYR 36 1HD TYR 36 2.980 -6.131 5.063 284 HD2 TYR 36 2HD TYR 36 -0.621 -8.375 4.757 285 HE1 TYR 36 1HE TYR 36 4.289 -8.142 4.524 286 HE2 TYR 36 2HE TYR 36 0.676 -10.392 4.216 287 HH TYR 36 HH TYR 36 2.739 -11.158 3.596 288 H ILE 37 H ILE 37 0.446 -3.168 5.068 289 HA ILE 37 HA ILE 37 1.002 -2.009 2.470 290 HB ILE 37 HB ILE 37 1.246 -0.941 5.273 291 1HG1 ILE 37 2HG1 ILE 37 -0.996 -0.975 4.302 292 2HG1 ILE 37 1HG1 ILE 37 -0.415 0.685 4.437 293 1HG2 ILE 37 1HG2 ILE 37 2.510 0.033 2.784 294 2HG2 ILE 37 2HG2 ILE 37 3.000 0.245 4.465 295 3HG2 ILE 37 3HG2 ILE 37 1.709 1.243 3.793 296 1HD1 ILE 37 1HD1 ILE 37 -1.303 0.725 2.347 297 2HD1 ILE 37 2HD1 ILE 37 -0.922 -0.964 2.028 298 3HD1 ILE 37 3HD1 ILE 37 0.351 0.255 1.962 299 H THR 38 H THR 38 2.802 -2.379 1.420 300 HA THR 38 HA THR 38 5.369 -2.251 2.715 301 HB THR 38 HB THR 38 4.621 -4.814 1.306 302 HG1 THR 38 1HG THR 38 3.572 -4.807 3.269 303 1HG2 THR 38 1HG2 THR 38 7.098 -3.849 2.650 304 2HG2 THR 38 2HG2 THR 38 6.904 -4.677 1.105 305 3HG2 THR 38 3HG2 THR 38 6.710 -5.569 2.616 306 H GLY 39 H GLY 39 4.091 -0.700 0.743 307 1HA GLY 39 2HA GLY 39 4.763 -1.390 -1.895 308 2HA GLY 39 1HA GLY 39 4.485 0.245 -1.309 309 H GLY 40 H GLY 40 6.105 1.230 -2.426 310 1HA GLY 40 2HA GLY 40 8.819 0.195 -2.270 311 2HA GLY 40 1HA GLY 40 8.287 1.607 -3.179 312 H GLY 41 H GLY 41 7.558 3.486 -1.757 313 1HA GLY 41 2HA GLY 41 8.917 3.627 0.815 314 2HA GLY 41 1HA GLY 41 9.541 4.683 -0.442 315 H CYS 42 H CYS 42 8.588 6.606 -0.758 316 HA CYS 42 HA CYS 42 6.743 7.623 1.080 317 1HB CYS 42 2HB CYS 42 7.713 8.576 -1.601 318 2HB CYS 42 1HB CYS 42 6.472 9.465 -0.725 319 HG CYS 42 HG CYS 42 8.897 9.043 1.013 320 H SER 43 H SER 43 6.292 5.959 -1.936 321 HA SER 43 HA SER 43 3.404 6.487 -1.833 322 1HB SER 43 2HB SER 43 4.094 5.060 -4.199 323 2HB SER 43 1HB SER 43 3.546 6.730 -4.055 324 HG SER 43 HG SER 43 5.532 6.774 -5.032 325 H GLY 44 H GLY 44 2.510 4.310 -3.295 326 1HA GLY 44 2HA GLY 44 3.432 1.884 -1.985 327 2HA GLY 44 1HA GLY 44 1.815 2.413 -1.543 328 H PHE 45 H PHE 45 3.548 0.491 -3.613 329 HA PHE 45 HA PHE 45 1.214 0.156 -5.338 330 1HB PHE 45 2HB PHE 45 2.522 0.178 -7.375 331 2HB PHE 45 1HB PHE 45 2.775 1.697 -6.511 332 HD1 PHE 45 1HD PHE 45 4.391 -0.661 -8.380 333 HD2 PHE 45 2HD PHE 45 4.803 1.410 -4.687 334 HE1 PHE 45 1HE PHE 45 6.818 -1.060 -8.428 335 HE2 PHE 45 2HE PHE 45 7.218 1.012 -4.723 336 HZ PHE 45 HZ PHE 45 8.239 -0.221 -6.598 337 H GLN 46 H GLN 46 3.354 -1.286 -3.319 338 HA GLN 46 HA GLN 46 3.370 -3.788 -4.865 339 1HB GLN 46 2HB GLN 46 5.068 -3.212 -2.451 340 2HB GLN 46 1HB GLN 46 5.270 -4.489 -3.640 341 1HG GLN 46 2HG GLN 46 5.995 -2.973 -5.290 342 2HG GLN 46 1HG GLN 46 5.504 -1.577 -4.327 343 1HE2 GLN 46 1HE2 GLN 46 7.345 -4.504 -3.699 344 2HE2 GLN 46 2HE2 GLN 46 8.734 -3.715 -3.027 345 H TYR 47 H TYR 47 3.489 -3.053 -1.384 346 HA TYR 47 HA TYR 47 2.197 -3.760 0.354 347 1HB TYR 47 2HB TYR 47 0.296 -4.932 -1.675 348 2HB TYR 47 1HB TYR 47 -0.047 -4.530 0.004 349 HD1 TYR 47 1HD TYR 47 -0.202 -2.160 0.696 350 HD2 TYR 47 2HD TYR 47 0.221 -3.273 -3.383 351 HE1 TYR 47 1HE TYR 47 -0.945 0.084 0.015 352 HE2 TYR 47 2HE TYR 47 -0.520 -1.033 -4.080 353 HH TYR 47 HH TYR 47 -2.148 0.919 -2.552 354 H GLY 48 H GLY 48 2.632 -5.417 1.634 355 1HA GLY 48 2HA GLY 48 3.806 -7.799 0.502 356 2HA GLY 48 1HA GLY 48 3.658 -7.421 2.209 357 H PHE 49 H PHE 49 2.909 -9.718 0.194 358 HA PHE 49 HA PHE 49 0.149 -10.118 1.093 359 1HB PHE 49 2HB PHE 49 1.753 -11.126 -1.211 360 2HB PHE 49 1HB PHE 49 0.389 -12.077 -0.639 361 HD1 PHE 49 1HD PHE 49 -1.111 -11.865 -2.396 362 HD2 PHE 49 2HD PHE 49 0.676 -8.398 -0.718 363 HE1 PHE 49 1HE PHE 49 -2.670 -10.458 -3.670 364 HE2 PHE 49 2HE PHE 49 -0.863 -6.973 -1.986 365 HZ PHE 49 HZ PHE 49 -2.546 -8.002 -3.474 366 H THR 50 H THR 50 -0.411 -11.675 2.451 367 HA THR 50 HA THR 50 1.515 -13.823 3.036 368 HB THR 50 HB THR 50 1.465 -12.014 4.838 369 HG1 THR 50 1HG THR 50 1.423 -13.598 6.495 370 1HG2 THR 50 1HG2 THR 50 -0.317 -11.717 6.229 371 2HG2 THR 50 2HG2 THR 50 -1.020 -13.292 5.848 372 3HG2 THR 50 3HG2 THR 50 -1.141 -11.966 4.690 373 H PHE 51 H PHE 51 0.430 -15.725 4.103 374 HA PHE 51 HA PHE 51 -2.251 -16.050 2.965 375 1HB PHE 51 2HB PHE 51 -0.434 -18.318 3.733 376 2HB PHE 51 1HB PHE 51 -1.746 -18.307 2.561 377 HD1 PHE 51 1HD PHE 51 -1.464 -16.867 0.485 378 HD2 PHE 51 2HD PHE 51 1.757 -17.912 3.053 379 HE1 PHE 51 1HE PHE 51 0.143 -16.255 -1.278 380 HE2 PHE 51 2HE PHE 51 3.370 -17.319 1.297 381 HZ PHE 51 HZ PHE 51 2.563 -16.481 -0.874 382 H ASP 52 H ASP 52 -3.551 -15.423 4.520 383 HA ASP 52 HA ASP 52 -3.319 -16.721 7.155 384 1HB ASP 52 2HB ASP 52 -2.936 -14.370 7.393 385 2HB ASP 52 1HB ASP 52 -4.334 -13.983 6.398 386 H GLU 53 H GLU 53 -4.697 -18.350 7.179 387 HA GLU 53 HA GLU 53 -7.165 -18.362 5.736 388 1HB GLU 53 2HB GLU 53 -5.458 -20.279 6.843 389 2HB GLU 53 1HB GLU 53 -6.977 -20.455 7.713 390 1HG GLU 53 2HG GLU 53 -7.510 -20.162 4.926 391 2HG GLU 53 1HG GLU 53 -6.301 -21.421 5.161 392 H LYS 54 H LYS 54 -6.290 -17.354 8.905 393 HA LYS 54 HA LYS 54 -8.663 -17.967 10.253 394 1HB LYS 54 2HB LYS 54 -7.954 -15.836 11.660 395 2HB LYS 54 1HB LYS 54 -7.127 -17.366 11.807 396 1HG LYS 54 2HG LYS 54 -5.600 -16.328 9.919 397 2HG LYS 54 1HG LYS 54 -6.205 -14.825 10.607 398 1HD LYS 54 2HD LYS 54 -4.772 -15.006 12.293 399 2HD LYS 54 1HD LYS 54 -5.487 -16.559 12.743 400 1HE LYS 54 2HE LYS 54 -4.033 -17.612 10.985 401 2HE LYS 54 1HE LYS 54 -3.213 -16.063 10.829 402 1HZ LYS 54 1HZ LYS 54 -2.405 -16.193 13.008 403 2HZ LYS 54 2HZ LYS 54 -2.166 -17.743 12.373 404 3HZ LYS 54 3HZ LYS 54 -3.452 -17.455 13.433 405 H VAL 55 H VAL 55 -8.116 -14.569 10.289 406 HA VAL 55 HA VAL 55 -10.122 -13.892 8.358 407 HB VAL 55 HB VAL 55 -11.010 -12.884 10.959 408 1HG1 VAL 55 1HG1 VAL 55 -12.199 -13.867 8.422 409 2HG1 VAL 55 2HG1 VAL 55 -12.442 -12.342 9.274 410 3HG1 VAL 55 3HG1 VAL 55 -13.206 -13.815 9.866 411 1HG2 VAL 55 1HG2 VAL 55 -12.140 -14.879 11.688 412 2HG2 VAL 55 2HG2 VAL 55 -10.407 -15.176 11.605 413 3HG2 VAL 55 3HG2 VAL 55 -11.469 -15.789 10.338 414 H ASN 56 H ASN 56 -9.068 -12.607 11.466 415 HA ASN 56 HA ASN 56 -7.750 -10.805 11.996 416 1HB ASN 56 2HB ASN 56 -7.771 -9.892 9.122 417 2HB ASN 56 1HB ASN 56 -6.598 -9.523 10.381 418 1HD2 ASN 56 1HD2 ASN 56 -6.293 -12.147 11.364 419 2HD2 ASN 56 2HD2 ASN 56 -5.449 -13.072 10.166 420 H ASP 57 H ASP 57 -9.648 -10.182 13.087 421 HA ASP 57 HA ASP 57 -11.869 -8.921 12.083 422 1HB ASP 57 2HB ASP 57 -10.522 -8.093 14.658 423 2HB ASP 57 1HB ASP 57 -12.236 -7.995 14.271 424 H GLY 58 H GLY 58 -12.349 -6.987 11.232 425 1HA GLY 58 2HA GLY 58 -12.100 -4.762 10.616 426 2HA GLY 58 1HA GLY 58 -10.673 -4.672 11.650 427 H ASP 59 H ASP 59 -11.318 -6.974 9.081 428 HA ASP 59 HA ASP 59 -9.191 -5.771 7.437 429 1HB ASP 59 2HB ASP 59 -8.278 -7.712 8.747 430 2HB ASP 59 1HB ASP 59 -9.488 -8.738 7.981 431 H LEU 60 H LEU 60 -10.297 -5.114 5.659 432 HA LEU 60 HA LEU 60 -12.671 -6.309 4.748 433 1HB LEU 60 2HB LEU 60 -10.808 -4.752 2.981 434 2HB LEU 60 1HB LEU 60 -12.547 -4.891 2.856 435 HG LEU 60 HG LEU 60 -10.913 -3.165 4.656 436 1HD1 LEU 60 1HD1 LEU 60 -11.784 -2.086 2.757 437 2HD1 LEU 60 2HD1 LEU 60 -12.835 -1.617 4.088 438 3HD1 LEU 60 3HD1 LEU 60 -13.359 -2.853 2.943 439 1HD2 LEU 60 1HD2 LEU 60 -13.130 -2.797 5.930 440 2HD2 LEU 60 2HD2 LEU 60 -12.110 -4.170 6.368 441 3HD2 LEU 60 3HD2 LEU 60 -13.543 -4.415 5.362 442 H THR 61 H THR 61 -13.022 -7.518 2.738 443 HA THR 61 HA THR 61 -10.667 -9.010 1.866 444 HB THR 61 HB THR 61 -11.353 -11.008 2.598 445 HG1 THR 61 1HG THR 61 -14.065 -10.345 2.123 446 1HG2 THR 61 1HG2 THR 61 -12.529 -11.084 4.593 447 2HG2 THR 61 2HG2 THR 61 -13.537 -9.702 4.162 448 3HG2 THR 61 3HG2 THR 61 -11.831 -9.462 4.566 449 H ILE 62 H ILE 62 -10.776 -10.010 -0.128 450 HA ILE 62 HA ILE 62 -13.049 -9.440 -1.872 451 HB ILE 62 HB ILE 62 -11.096 -8.882 -3.595 452 1HG1 ILE 62 2HG1 ILE 62 -9.420 -9.093 -1.655 453 2HG1 ILE 62 1HG1 ILE 62 -9.272 -7.693 -2.710 454 1HG2 ILE 62 1HG2 ILE 62 -12.074 -6.718 -1.772 455 2HG2 ILE 62 2HG2 ILE 62 -13.145 -7.569 -2.876 456 3HG2 ILE 62 3HG2 ILE 62 -11.783 -6.648 -3.510 457 1HD1 ILE 62 1HD1 ILE 62 -9.306 -6.419 -0.905 458 2HD1 ILE 62 2HD1 ILE 62 -9.661 -7.804 0.123 459 3HD1 ILE 62 3HD1 ILE 62 -10.979 -6.907 -0.629 460 H GLU 63 H GLU 63 -13.456 -11.686 -2.010 461 HA GLU 63 HA GLU 63 -11.525 -13.670 -2.372 462 1HB GLU 63 2HB GLU 63 -14.013 -13.914 -1.800 463 2HB GLU 63 1HB GLU 63 -14.280 -13.844 -3.535 464 1HG GLU 63 2HG GLU 63 -12.756 -15.784 -3.790 465 2HG GLU 63 1HG GLU 63 -12.681 -15.893 -2.031 466 H LYS 64 H LYS 64 -10.923 -14.882 -4.244 467 HA LYS 64 HA LYS 64 -11.570 -13.879 -6.857 468 1HB LYS 64 2HB LYS 64 -9.214 -12.918 -5.455 469 2HB LYS 64 1HB LYS 64 -8.808 -13.652 -7.003 470 1HG LYS 64 2HG LYS 64 -11.023 -11.652 -6.837 471 2HG LYS 64 1HG LYS 64 -9.346 -11.110 -6.852 472 1HD LYS 64 2HD LYS 64 -10.640 -12.866 -8.943 473 2HD LYS 64 1HD LYS 64 -10.332 -11.135 -9.102 474 1HE LYS 64 2HE LYS 64 -7.889 -11.688 -8.655 475 2HE LYS 64 1HE LYS 64 -8.333 -13.373 -8.916 476 1HZ LYS 64 1HZ LYS 64 -9.341 -12.443 -11.094 477 2HZ LYS 64 2HZ LYS 64 -7.674 -12.710 -10.998 478 3HZ LYS 64 3HZ LYS 64 -8.289 -11.148 -10.838 479 H SER 65 H SER 65 -9.549 -14.775 -8.345 480 HA SER 65 HA SER 65 -9.627 -16.896 -9.477 481 1HB SER 65 2HB SER 65 -7.357 -15.708 -8.634 482 2HB SER 65 1HB SER 65 -7.166 -17.314 -7.916 483 HG SER 65 HG SER 65 -7.887 -16.970 -10.629 484 H GLY 66 H GLY 66 -8.211 -17.702 -6.296 485 1HA GLY 66 2HA GLY 66 -10.121 -19.907 -6.080 486 2HA GLY 66 1HA GLY 66 -8.423 -20.329 -6.232 487 H VAL 67 H VAL 67 -9.123 -17.455 -4.443 488 HA VAL 67 HA VAL 67 -9.245 -18.878 -1.907 489 HB VAL 67 HB VAL 67 -7.300 -17.938 -0.939 490 1HG1 VAL 67 1HG1 VAL 67 -7.024 -19.901 -2.490 491 2HG1 VAL 67 2HG1 VAL 67 -5.564 -18.995 -2.122 492 3HG1 VAL 67 3HG1 VAL 67 -6.375 -18.762 -3.669 493 1HG2 VAL 67 1HG2 VAL 67 -7.637 -15.874 -2.803 494 2HG2 VAL 67 2HG2 VAL 67 -6.073 -16.598 -3.171 495 3HG2 VAL 67 3HG2 VAL 67 -6.403 -15.999 -1.545 496 H GLN 68 H GLN 68 -8.485 -16.580 -0.351 497 HA GLN 68 HA GLN 68 -10.521 -14.613 -1.092 498 1HB GLN 68 2HB GLN 68 -11.821 -15.410 0.534 499 2HB GLN 68 1HB GLN 68 -10.534 -16.404 1.190 500 1HG GLN 68 2HG GLN 68 -10.978 -15.074 2.957 501 2HG GLN 68 1HG GLN 68 -9.721 -14.113 2.190 502 1HE2 GLN 68 1HE2 GLN 68 -11.171 -13.002 0.116 503 2HE2 GLN 68 2HE2 GLN 68 -12.342 -11.917 0.773 504 H LEU 69 H LEU 69 -9.577 -12.716 -1.324 505 HA LEU 69 HA LEU 69 -7.010 -12.192 -0.074 506 1HB LEU 69 2HB LEU 69 -8.526 -11.150 -2.350 507 2HB LEU 69 1HB LEU 69 -7.694 -9.906 -1.440 508 HG LEU 69 HG LEU 69 -6.411 -10.792 -3.375 509 1HD1 LEU 69 1HD1 LEU 69 -5.096 -9.713 -1.811 510 2HD1 LEU 69 2HD1 LEU 69 -4.323 -11.292 -1.965 511 3HD1 LEU 69 3HD1 LEU 69 -5.366 -10.953 -0.584 512 1HD2 LEU 69 1HD2 LEU 69 -5.315 -13.008 -3.067 513 2HD2 LEU 69 2HD2 LEU 69 -7.053 -13.099 -3.352 514 3HD2 LEU 69 3HD2 LEU 69 -6.416 -13.310 -1.722 515 H VAL 70 H VAL 70 -7.275 -11.705 2.058 516 HA VAL 70 HA VAL 70 -9.169 -9.559 2.721 517 HB VAL 70 HB VAL 70 -9.510 -10.445 4.787 518 1HG1 VAL 70 1HG1 VAL 70 -9.620 -12.270 2.837 519 2HG1 VAL 70 2HG1 VAL 70 -10.080 -12.606 4.505 520 3HG1 VAL 70 3HG1 VAL 70 -8.479 -13.067 3.921 521 1HG2 VAL 70 1HG2 VAL 70 -7.874 -11.785 6.068 522 2HG2 VAL 70 2HG2 VAL 70 -7.254 -10.194 5.631 523 3HG2 VAL 70 3HG2 VAL 70 -6.731 -11.618 4.736 524 H ILE 71 H ILE 71 -8.273 -7.599 2.777 525 HA ILE 71 HA ILE 71 -5.465 -7.410 3.624 526 HB ILE 71 HB ILE 71 -5.131 -5.549 2.269 527 1HG1 ILE 71 2HG1 ILE 71 -7.132 -4.276 2.932 528 2HG1 ILE 71 1HG1 ILE 71 -6.900 -4.256 1.189 529 1HG2 ILE 71 1HG2 ILE 71 -7.095 -7.228 0.719 530 2HG2 ILE 71 2HG2 ILE 71 -5.413 -7.663 1.023 531 3HG2 ILE 71 3HG2 ILE 71 -5.795 -6.236 0.058 532 1HD1 ILE 71 1HD1 ILE 71 -9.127 -4.671 1.273 533 2HD1 ILE 71 2HD1 ILE 71 -9.021 -5.535 2.807 534 3HD1 ILE 71 3HD1 ILE 71 -8.525 -6.329 1.312 535 H ASP 72 H ASP 72 -4.814 -5.442 4.734 536 HA ASP 72 HA ASP 72 -6.620 -4.929 6.942 537 1HB ASP 72 2HB ASP 72 -4.295 -5.400 7.435 538 2HB ASP 72 1HB ASP 72 -3.779 -4.060 6.413 539 HA PRO 73 HA PRO 73 -8.471 -1.105 5.784 540 1HB PRO 73 2HB PRO 73 -7.560 -0.214 8.489 541 2HB PRO 73 1HB PRO 73 -9.152 -0.065 7.733 542 1HG PRO 73 2HG PRO 73 -8.720 -1.939 9.556 543 2HG PRO 73 1HG PRO 73 -9.685 -2.298 8.112 544 1HD PRO 73 2HD PRO 73 -6.891 -3.088 8.769 545 2HD PRO 73 1HD PRO 73 -8.128 -3.976 7.861 546 H MET 74 H MET 74 -5.310 -0.860 7.426 547 HA MET 74 HA MET 74 -4.679 1.727 6.711 548 1HB MET 74 2HB MET 74 -3.054 0.987 8.105 549 2HB MET 74 1HB MET 74 -3.194 -0.669 7.542 550 1HG MET 74 2HG MET 74 -1.539 -0.442 6.033 551 2HG MET 74 1HG MET 74 -1.903 1.249 5.697 552 1HE MET 74 1HE MET 74 -0.880 3.194 6.714 553 2HE MET 74 2HE MET 74 0.091 3.245 8.185 554 3HE MET 74 3HE MET 74 -1.640 2.925 8.283 555 H SER 75 H SER 75 -4.285 -1.259 4.907 556 HA SER 75 HA SER 75 -3.125 0.040 2.631 557 1HB SER 75 2HB SER 75 -4.465 -2.644 2.496 558 2HB SER 75 1HB SER 75 -3.032 -2.076 1.643 559 HG SER 75 HG SER 75 -1.820 -2.531 3.336 560 H LEU 76 H LEU 76 -6.336 -0.845 3.704 561 HA LEU 76 HA LEU 76 -7.858 -0.859 1.473 562 1HB LEU 76 2HB LEU 76 -9.279 -1.091 3.163 563 2HB LEU 76 1HB LEU 76 -8.291 -0.134 4.239 564 HG LEU 76 HG LEU 76 -10.053 1.180 2.188 565 1HD1 LEU 76 1HD1 LEU 76 -11.559 -0.200 3.386 566 2HD1 LEU 76 2HD1 LEU 76 -11.683 1.413 4.090 567 3HD1 LEU 76 3HD1 LEU 76 -10.755 0.159 4.913 568 1HD2 LEU 76 1HD2 LEU 76 -9.952 2.666 4.513 569 2HD2 LEU 76 2HD2 LEU 76 -9.008 2.955 3.052 570 3HD2 LEU 76 3HD2 LEU 76 -8.329 1.999 4.368 571 H GLN 77 H GLN 77 -6.683 2.075 3.059 572 HA GLN 77 HA GLN 77 -7.885 3.727 1.051 573 1HB GLN 77 2HB GLN 77 -7.577 5.469 2.440 574 2HB GLN 77 1HB GLN 77 -7.339 4.207 3.632 575 1HG GLN 77 2HG GLN 77 -4.843 4.820 2.349 576 2HG GLN 77 1HG GLN 77 -5.600 6.290 2.955 577 1HE2 GLN 77 1HE2 GLN 77 -5.523 2.954 4.109 578 2HE2 GLN 77 2HE2 GLN 77 -4.903 3.323 5.673 579 H TYR 78 H TYR 78 -4.876 2.139 1.464 580 HA TYR 78 HA TYR 78 -3.416 3.913 -0.277 581 1HB TYR 78 2HB TYR 78 -2.769 1.263 1.000 582 2HB TYR 78 1HB TYR 78 -1.685 2.033 -0.158 583 HD1 TYR 78 1HD TYR 78 0.144 2.924 0.907 584 HD2 TYR 78 2HD TYR 78 -3.668 3.288 2.754 585 HE1 TYR 78 1HE TYR 78 1.162 4.208 2.739 586 HE2 TYR 78 2HE TYR 78 -2.664 4.569 4.592 587 HH TYR 78 HH TYR 78 0.378 5.924 4.442 588 H LEU 79 H LEU 79 -4.928 0.740 -0.463 589 HA LEU 79 HA LEU 79 -4.146 0.461 -3.244 590 1HB LEU 79 2HB LEU 79 -4.961 -1.786 -3.155 591 2HB LEU 79 1HB LEU 79 -3.900 -1.460 -1.814 592 HG LEU 79 HG LEU 79 -6.274 -2.791 -1.666 593 1HD1 LEU 79 1HD1 LEU 79 -4.921 -3.176 0.086 594 2HD1 LEU 79 2HD1 LEU 79 -6.006 -2.023 0.867 595 3HD1 LEU 79 3HD1 LEU 79 -4.449 -1.482 0.236 596 1HD2 LEU 79 1HD2 LEU 79 -7.801 -1.406 -0.345 597 2HD2 LEU 79 2HD2 LEU 79 -7.641 -0.820 -1.996 598 3HD2 LEU 79 3HD2 LEU 79 -6.802 0.005 -0.680 599 H ILE 80 H ILE 80 -6.841 1.632 -1.588 600 HA ILE 80 HA ILE 80 -9.154 1.135 -2.507 601 HB ILE 80 HB ILE 80 -9.801 3.400 -2.890 602 1HG1 ILE 80 2HG1 ILE 80 -8.118 4.062 -4.510 603 2HG1 ILE 80 1HG1 ILE 80 -8.130 5.207 -3.171 604 1HG2 ILE 80 1HG2 ILE 80 -9.295 2.900 -0.611 605 2HG2 ILE 80 2HG2 ILE 80 -8.735 4.535 -0.965 606 3HG2 ILE 80 3HG2 ILE 80 -7.580 3.206 -0.884 607 1HD1 ILE 80 1HD1 ILE 80 -6.187 4.011 -2.215 608 2HD1 ILE 80 2HD1 ILE 80 -5.870 4.748 -3.786 609 3HD1 ILE 80 3HD1 ILE 80 -6.146 3.013 -3.663 610 H GLY 81 H GLY 81 -10.134 0.403 -4.151 611 1HA GLY 81 2HA GLY 81 -10.411 -0.463 -6.276 612 2HA GLY 81 1HA GLY 81 -10.688 1.247 -6.564 613 H GLY 82 H GLY 82 -7.508 -0.183 -5.893 614 1HA GLY 82 2HA GLY 82 -6.578 0.903 -8.433 615 2HA GLY 82 1HA GLY 82 -5.573 0.177 -7.182 616 H THR 83 H THR 83 -4.458 -1.140 -8.671 617 HA THR 83 HA THR 83 -5.883 -3.580 -9.347 618 HB THR 83 HB THR 83 -4.672 -1.749 -11.404 619 HG1 THR 83 1HG THR 83 -6.626 -2.308 -12.474 620 1HG2 THR 83 1HG2 THR 83 -3.683 -3.494 -12.380 621 2HG2 THR 83 2HG2 THR 83 -5.321 -3.966 -12.836 622 3HG2 THR 83 3HG2 THR 83 -4.566 -4.668 -11.403 623 H VAL 84 H VAL 84 -4.582 -5.359 -9.178 624 HA VAL 84 HA VAL 84 -1.683 -4.895 -9.034 625 HB VAL 84 HB VAL 84 -1.577 -5.393 -6.892 626 1HG1 VAL 84 1HG1 VAL 84 -3.932 -4.560 -6.801 627 2HG1 VAL 84 2HG1 VAL 84 -3.440 -5.609 -5.476 628 3HG1 VAL 84 3HG1 VAL 84 -4.445 -6.245 -6.776 629 1HG2 VAL 84 1HG2 VAL 84 -1.064 -7.616 -7.419 630 2HG2 VAL 84 2HG2 VAL 84 -2.748 -8.013 -7.748 631 3HG2 VAL 84 3HG2 VAL 84 -2.223 -7.697 -6.096 632 H ASP 85 H ASP 85 -0.349 -6.694 -9.453 633 HA ASP 85 HA ASP 85 -1.563 -9.119 -10.432 634 1HB ASP 85 2HB ASP 85 -0.183 -8.916 -12.606 635 2HB ASP 85 1HB ASP 85 -1.698 -8.018 -12.489 636 H TYR 86 H TYR 86 -0.157 -10.866 -10.478 637 HA TYR 86 HA TYR 86 2.525 -10.336 -9.382 638 1HB TYR 86 2HB TYR 86 0.433 -11.822 -8.286 639 2HB TYR 86 1HB TYR 86 1.556 -13.024 -8.902 640 HD1 TYR 86 1HD TYR 86 0.660 -11.457 -6.044 641 HD2 TYR 86 2HD TYR 86 4.155 -12.137 -8.366 642 HE1 TYR 86 1HE TYR 86 2.040 -11.175 -4.030 643 HE2 TYR 86 2HE TYR 86 5.551 -11.861 -6.363 644 HH TYR 86 HH TYR 86 4.692 -10.411 -3.711 645 H THR 87 H THR 87 4.248 -11.469 -10.212 646 HA THR 87 HA THR 87 3.799 -13.481 -12.232 647 HB THR 87 HB THR 87 5.263 -10.926 -12.875 648 HG1 THR 87 1HG THR 87 2.807 -12.010 -13.751 649 1HG2 THR 87 1HG2 THR 87 5.849 -11.746 -14.940 650 2HG2 THR 87 2HG2 THR 87 4.672 -13.058 -14.868 651 3HG2 THR 87 3HG2 THR 87 6.137 -13.135 -13.890 652 H GLU 88 H GLU 88 4.852 -14.879 -10.832 653 HA GLU 88 HA GLU 88 7.595 -14.291 -10.031 654 1HB GLU 88 2HB GLU 88 6.039 -16.828 -9.529 655 2HB GLU 88 1HB GLU 88 7.452 -16.246 -8.665 656 1HG GLU 88 2HG GLU 88 6.238 -14.581 -7.569 657 2HG GLU 88 1HG GLU 88 4.883 -14.710 -8.688 658 H GLY 89 H GLY 89 9.258 -16.004 -10.358 659 1HA GLY 89 2HA GLY 89 9.814 -18.027 -11.697 660 2HA GLY 89 1HA GLY 89 8.931 -17.260 -13.012 661 H LEU 90 H LEU 90 9.815 -15.158 -13.792 662 HA LEU 90 HA LEU 90 12.429 -15.400 -14.649 663 1HB LEU 90 2HB LEU 90 10.425 -13.245 -14.596 664 2HB LEU 90 1HB LEU 90 12.092 -12.707 -14.741 665 HG LEU 90 HG LEU 90 12.393 -13.811 -16.794 666 1HD1 LEU 90 1HD1 LEU 90 11.448 -15.945 -16.292 667 2HD1 LEU 90 2HD1 LEU 90 10.651 -15.323 -17.738 668 3HD1 LEU 90 3HD1 LEU 90 9.827 -15.266 -16.183 669 1HD2 LEU 90 1HD2 LEU 90 10.283 -13.107 -18.102 670 2HD2 LEU 90 2HD2 LEU 90 11.218 -11.866 -17.271 671 3HD2 LEU 90 3HD2 LEU 90 9.724 -12.476 -16.558 672 H GLU 91 H GLU 91 11.480 -12.755 -12.497 673 HA GLU 91 HA GLU 91 14.146 -12.802 -11.319 674 1HB GLU 91 2HB GLU 91 11.932 -10.844 -10.717 675 2HB GLU 91 1HB GLU 91 13.661 -10.638 -10.447 676 1HG GLU 91 2HG GLU 91 13.137 -11.160 -13.223 677 2HG GLU 91 1HG GLU 91 12.161 -9.807 -12.653 678 H GLY 92 H GLY 92 12.098 -14.878 -10.739 679 1HA GLY 92 2HA GLY 92 11.913 -16.161 -8.775 680 2HA GLY 92 1HA GLY 92 12.308 -14.727 -7.829 681 H SER 93 H SER 93 10.671 -13.179 -7.436 682 HA SER 93 HA SER 93 7.947 -13.789 -8.183 683 1HB SER 93 2HB SER 93 7.113 -13.906 -5.900 684 2HB SER 93 1HB SER 93 8.336 -15.154 -6.142 685 HG SER 93 HG SER 93 9.028 -14.262 -4.327 686 H ARG 94 H ARG 94 7.988 -11.779 -9.230 687 HA ARG 94 HA ARG 94 8.466 -9.423 -7.564 688 1HB ARG 94 2HB ARG 94 8.222 -8.176 -9.760 689 2HB ARG 94 1HB ARG 94 9.612 -9.239 -9.618 690 1HG ARG 94 2HG ARG 94 8.868 -9.705 -11.737 691 2HG ARG 94 1HG ARG 94 8.079 -10.973 -10.796 692 1HD ARG 94 2HD ARG 94 6.033 -10.187 -11.250 693 2HD ARG 94 1HD ARG 94 6.516 -8.516 -10.955 694 HE ARG 94 HE ARG 94 7.552 -9.489 -13.421 695 1HH1 ARG 94 1HH1 ARG 94 4.657 -8.257 -11.912 696 2HH1 ARG 94 2HH1 ARG 94 3.994 -7.651 -13.393 697 1HH2 ARG 94 1HH2 ARG 94 6.680 -8.696 -15.369 698 2HH2 ARG 94 2HH2 ARG 94 5.142 -7.903 -15.356 699 H PHE 95 H PHE 95 6.949 -7.867 -7.161 700 HA PHE 95 HA PHE 95 4.177 -8.516 -7.922 701 1HB PHE 95 2HB PHE 95 4.876 -8.948 -5.484 702 2HB PHE 95 1HB PHE 95 4.950 -7.197 -5.324 703 HD1 PHE 95 1HD PHE 95 2.485 -9.147 -7.286 704 HD2 PHE 95 2HD PHE 95 3.217 -6.804 -3.807 705 HE1 PHE 95 1HE PHE 95 0.076 -9.095 -6.816 706 HE2 PHE 95 2HE PHE 95 0.808 -6.752 -3.328 707 HZ PHE 95 HZ PHE 95 -0.765 -7.894 -4.842 708 H THR 96 H THR 96 2.955 -6.870 -8.727 709 HA THR 96 HA THR 96 3.921 -4.127 -8.376 710 HB THR 96 HB THR 96 3.031 -4.845 -11.114 711 HG1 THR 96 1HG THR 96 5.575 -5.503 -10.056 712 1HG2 THR 96 1HG2 THR 96 3.556 -2.616 -11.002 713 2HG2 THR 96 2HG2 THR 96 5.067 -3.319 -11.581 714 3HG2 THR 96 3HG2 THR 96 4.895 -2.878 -9.881 715 H VAL 97 H VAL 97 2.332 -2.894 -7.725 716 HA VAL 97 HA VAL 97 -0.420 -3.522 -8.592 717 HB VAL 97 HB VAL 97 0.191 -2.024 -6.059 718 1HG1 VAL 97 1HG1 VAL 97 -2.173 -3.437 -7.214 719 2HG1 VAL 97 2HG1 VAL 97 -2.055 -1.806 -6.548 720 3HG1 VAL 97 3HG1 VAL 97 -2.025 -3.206 -5.472 721 1HG2 VAL 97 1HG2 VAL 97 0.849 -4.754 -6.534 722 2HG2 VAL 97 2HG2 VAL 97 -0.517 -4.689 -5.421 723 3HG2 VAL 97 3HG2 VAL 97 0.970 -3.828 -5.042 724 H ASN 98 H ASN 98 -1.884 -1.546 -8.539 725 HA ASN 98 HA ASN 98 -0.493 0.977 -8.967 726 1HB ASN 98 2HB ASN 98 -2.324 -0.095 -11.115 727 2HB ASN 98 1HB ASN 98 -1.308 1.347 -11.179 728 1HD2 ASN 98 1HD2 ASN 98 -1.569 -1.708 -12.261 729 2HD2 ASN 98 2HD2 ASN 98 0.093 -2.079 -12.534 730 H ASN 99 H ASN 99 -1.618 2.638 -8.213 731 HA ASN 99 HA ASN 99 -4.525 2.580 -8.174 732 1HB ASN 99 2HB ASN 99 -3.529 3.518 -5.596 733 2HB ASN 99 1HB ASN 99 -4.836 2.390 -5.953 734 1HD2 ASN 99 1HD2 ASN 99 -1.997 2.700 -4.407 735 2HD2 ASN 99 2HD2 ASN 99 -1.477 1.053 -4.391 736 HA PRO 100 HA PRO 100 -4.258 6.913 -8.886 737 1HB PRO 100 2HB PRO 100 -5.961 8.032 -7.048 738 2HB PRO 100 1HB PRO 100 -6.493 7.225 -8.531 739 1HG PRO 100 2HG PRO 100 -6.358 6.163 -5.736 740 2HG PRO 100 1HG PRO 100 -7.624 5.943 -6.959 741 1HD PRO 100 2HD PRO 100 -5.809 4.030 -6.438 742 2HD PRO 100 1HD PRO 100 -6.433 4.302 -8.076 743 H ASN 101 H ASN 101 -4.211 6.210 -5.404 744 HA ASN 101 HA ASN 101 -2.648 8.562 -4.830 745 1HB ASN 101 2HB ASN 101 -2.999 8.100 -2.589 746 2HB ASN 101 1HB ASN 101 -4.417 7.354 -3.324 747 1HD2 ASN 101 1HD2 ASN 101 -3.022 5.070 -4.369 748 2HD2 ASN 101 2HD2 ASN 101 -2.617 4.065 -3.020 749 H ALA 102 H ALA 102 -1.811 5.717 -6.220 750 HA ALA 102 HA ALA 102 0.691 5.337 -4.781 751 1HB ALA 102 1HB ALA 102 -0.584 3.850 -7.066 752 2HB ALA 102 2HB ALA 102 -0.409 3.322 -5.394 753 3HB ALA 102 3HB ALA 102 1.013 3.468 -6.425 754 H THR 103 H THR 103 0.441 7.842 -6.053 755 HA THR 103 HA THR 103 2.780 7.739 -7.758 756 HB THR 103 HB THR 103 1.462 9.369 -9.365 757 HG1 THR 103 1HG THR 103 -0.705 8.664 -9.579 758 1HG2 THR 103 1HG2 THR 103 2.429 7.363 -10.219 759 2HG2 THR 103 2HG2 THR 103 0.757 7.456 -10.774 760 3HG2 THR 103 3HG2 THR 103 1.187 6.378 -9.447 761 H SER 104 H SER 104 2.078 8.783 -5.121 762 HA SER 104 HA SER 104 2.512 11.659 -5.594 763 1HB SER 104 2HB SER 104 1.118 10.208 -3.348 764 2HB SER 104 1HB SER 104 1.683 11.869 -3.169 765 HG SER 104 HG SER 104 0.367 12.434 -4.941 766 H THR 105 H THR 105 4.102 12.730 -4.406 767 HA THR 105 HA THR 105 6.021 10.970 -3.025 768 HB THR 105 HB THR 105 7.812 12.447 -3.829 769 HG1 THR 105 1HG THR 105 5.670 13.791 -5.098 770 1HG2 THR 105 1HG2 THR 105 7.689 10.730 -5.326 771 2HG2 THR 105 2HG2 THR 105 7.383 12.108 -6.384 772 3HG2 THR 105 3HG2 THR 105 6.038 11.122 -5.810 773 H CYS 106 H CYS 106 4.907 11.458 -1.045 774 HA CYS 106 HA CYS 106 4.891 14.194 -0.104 775 1HB CYS 106 2HB CYS 106 3.083 12.537 0.445 776 2HB CYS 106 1HB CYS 106 4.250 11.678 1.444 777 HG CYS 106 HG CYS 106 3.742 14.618 2.195 778 H GLY 107 H GLY 107 7.075 14.765 -0.024 779 1HA GLY 107 2HA GLY 107 8.703 13.276 1.940 780 2HA GLY 107 1HA GLY 107 9.364 14.220 0.609 781 H CYS 108 H CYS 108 7.151 16.281 1.337 782 HA CYS 108 HA CYS 108 8.834 17.958 2.882 783 1HB CYS 108 2HB CYS 108 5.966 18.171 1.986 784 2HB CYS 108 1HB CYS 108 6.715 19.404 2.994 785 HG CYS 108 HG CYS 108 6.831 19.687 0.222 786 H GLY 109 H GLY 109 9.085 18.067 5.012 787 1HA GLY 109 2HA GLY 109 7.734 18.336 7.136 788 2HA GLY 109 1HA GLY 109 7.045 16.772 6.712 789 H SER 110 H SER 110 8.418 17.410 9.135 790 HA SER 110 HA SER 110 10.339 15.260 9.116 791 1HB SER 110 2HB SER 110 11.170 18.121 9.444 792 2HB SER 110 1HB SER 110 12.022 16.864 10.341 793 HG SER 110 HG SER 110 11.623 16.823 7.532 794 H SER 111 H SER 111 10.401 14.231 11.039 795 HA SER 111 HA SER 111 9.623 15.586 13.479 796 1HB SER 111 2HB SER 111 7.607 14.392 12.049 797 2HB SER 111 1HB SER 111 8.090 13.099 13.148 798 HG SER 111 HG SER 111 7.203 15.708 13.798 799 H PHE 112 H PHE 112 9.853 14.160 15.392 800 HA PHE 112 HA PHE 112 12.277 12.650 15.195 801 1HB PHE 112 2HB PHE 112 10.405 12.871 17.559 802 2HB PHE 112 1HB PHE 112 12.095 12.383 17.593 803 HD1 PHE 112 1HD PHE 112 9.800 15.215 17.105 804 HD2 PHE 112 2HD PHE 112 13.847 13.991 17.578 805 HE1 PHE 112 1HE PHE 112 10.462 17.558 17.461 806 HE2 PHE 112 2HE PHE 112 14.517 16.331 17.936 807 HZ PHE 112 HZ PHE 112 12.824 18.118 17.878 808 H SER 113 H SER 113 12.060 10.564 16.870 809 HA SER 113 HA SER 113 9.960 8.845 15.746 810 1HB SER 113 2HB SER 113 12.895 8.163 16.026 811 2HB SER 113 1HB SER 113 11.632 6.988 15.654 812 HG SER 113 HG SER 113 12.197 7.565 13.681 813 H ILE 114 H ILE 114 9.562 6.904 17.026 814 HA ILE 114 HA ILE 114 8.969 7.390 19.647 815 HB ILE 114 HB ILE 114 8.616 5.043 19.942 816 1HG1 ILE 114 2HG1 ILE 114 10.789 4.275 19.007 817 2HG1 ILE 114 1HG1 ILE 114 9.419 3.351 18.400 818 1HG2 ILE 114 1HG2 ILE 114 6.895 4.927 18.526 819 2HG2 ILE 114 2HG2 ILE 114 7.924 5.110 17.106 820 3HG2 ILE 114 3HG2 ILE 114 7.426 6.531 18.021 821 1HD1 ILE 114 1HD1 ILE 114 9.489 4.918 16.395 822 2HD1 ILE 114 2HD1 ILE 114 10.760 3.705 16.540 823 3HD1 ILE 114 3HD1 ILE 114 11.087 5.382 16.980 Start of MODEL 19 1 1H MET 1 1HT MET 1 -25.154 -3.038 -5.216 2 2H MET 1 2HT MET 1 -25.180 -2.880 -3.507 3 3H MET 1 3HT MET 1 -25.914 -4.237 -4.258 4 HA MET 1 HA MET 1 -23.665 -4.748 -5.176 5 1HB MET 1 2HB MET 1 -23.169 -2.445 -3.386 6 2HB MET 1 1HB MET 1 -22.026 -3.773 -3.250 7 1HG MET 1 2HG MET 1 -21.076 -3.328 -5.228 8 2HG MET 1 1HG MET 1 -22.622 -2.975 -6.001 9 1HE MET 1 1HE MET 1 -23.295 0.370 -6.043 10 2HE MET 1 2HE MET 1 -23.559 0.181 -4.306 11 3HE MET 1 3HE MET 1 -23.993 -1.124 -5.410 12 H ILE 2 H ILE 2 -21.985 -5.779 -3.403 13 HA ILE 2 HA ILE 2 -23.704 -7.460 -1.746 14 HB ILE 2 HB ILE 2 -20.861 -8.168 -1.860 15 1HG1 ILE 2 2HG1 ILE 2 -21.000 -7.303 -4.118 16 2HG1 ILE 2 1HG1 ILE 2 -21.000 -9.065 -4.174 17 1HG2 ILE 2 1HG2 ILE 2 -23.136 -9.429 -1.180 18 2HG2 ILE 2 2HG2 ILE 2 -21.662 -10.264 -1.675 19 3HG2 ILE 2 3HG2 ILE 2 -22.960 -9.992 -2.840 20 1HD1 ILE 2 1HD1 ILE 2 -22.685 -8.705 -5.624 21 2HD1 ILE 2 2HD1 ILE 2 -23.106 -7.142 -4.921 22 3HD1 ILE 2 3HD1 ILE 2 -23.640 -8.632 -4.143 23 H ASP 3 H ASP 3 -21.682 -8.372 0.001 24 HA ASP 3 HA ASP 3 -20.553 -6.160 1.426 25 1HB ASP 3 2HB ASP 3 -23.218 -6.632 1.972 26 2HB ASP 3 1HB ASP 3 -22.394 -7.511 3.256 27 H ASP 4 H ASP 4 -19.892 -8.857 0.317 28 HA ASP 4 HA ASP 4 -18.736 -10.012 2.765 29 1HB ASP 4 2HB ASP 4 -20.491 -11.463 1.828 30 2HB ASP 4 1HB ASP 4 -19.656 -11.475 0.284 31 H MET 5 H MET 5 -18.397 -9.609 -0.729 32 HA MET 5 HA MET 5 -15.483 -9.434 -0.374 33 1HB MET 5 2HB MET 5 -15.225 -10.721 -2.526 34 2HB MET 5 1HB MET 5 -15.759 -11.667 -1.145 35 1HG MET 5 2HG MET 5 -17.213 -12.455 -2.679 36 2HG MET 5 1HG MET 5 -18.135 -11.057 -2.139 37 1HE MET 5 1HE MET 5 -19.281 -9.839 -3.450 38 2HE MET 5 2HE MET 5 -19.087 -9.471 -5.165 39 3HE MET 5 3HE MET 5 -18.172 -8.568 -3.960 40 H ALA 6 H ALA 6 -14.516 -8.741 -2.639 41 HA ALA 6 HA ALA 6 -14.273 -7.037 -4.134 42 1HB ALA 6 1HB ALA 6 -17.233 -6.905 -4.493 43 2HB ALA 6 2HB ALA 6 -16.341 -8.329 -5.032 44 3HB ALA 6 3HB ALA 6 -15.948 -6.742 -5.692 45 H VAL 7 H VAL 7 -13.629 -5.701 -2.326 46 HA VAL 7 HA VAL 7 -15.626 -3.651 -1.713 47 HB VAL 7 HB VAL 7 -13.506 -3.687 0.245 48 1HG1 VAL 7 1HG1 VAL 7 -15.854 -2.720 0.328 49 2HG1 VAL 7 2HG1 VAL 7 -15.293 -3.580 1.762 50 3HG1 VAL 7 3HG1 VAL 7 -16.400 -4.370 0.637 51 1HG2 VAL 7 1HG2 VAL 7 -13.302 -6.058 -0.265 52 2HG2 VAL 7 2HG2 VAL 7 -15.046 -6.257 -0.095 53 3HG2 VAL 7 3HG2 VAL 7 -14.074 -5.829 1.309 54 HA PRO 8 HA PRO 8 -11.804 -1.097 -2.517 55 1HB PRO 8 2HB PRO 8 -9.505 -1.617 -1.408 56 2HB PRO 8 1HB PRO 8 -10.924 -1.538 -0.354 57 1HG PRO 8 2HG PRO 8 -9.500 -3.947 -1.422 58 2HG PRO 8 1HG PRO 8 -10.158 -3.667 0.202 59 1HD PRO 8 2HD PRO 8 -11.448 -4.981 -1.968 60 2HD PRO 8 1HD PRO 8 -12.167 -4.523 -0.417 61 H LEU 9 H LEU 9 -8.848 -2.223 -2.739 62 HA LEU 9 HA LEU 9 -8.578 -2.183 -5.500 63 1HB LEU 9 2HB LEU 9 -6.830 -1.768 -3.757 64 2HB LEU 9 1HB LEU 9 -6.753 -3.498 -3.492 65 HG LEU 9 HG LEU 9 -5.078 -3.526 -4.964 66 1HD1 LEU 9 1HD1 LEU 9 -5.647 -3.328 -7.379 67 2HD1 LEU 9 2HD1 LEU 9 -7.271 -2.865 -6.895 68 3HD1 LEU 9 3HD1 LEU 9 -6.643 -4.451 -6.466 69 1HD2 LEU 9 1HD2 LEU 9 -4.701 -1.531 -6.551 70 2HD2 LEU 9 2HD2 LEU 9 -4.449 -1.303 -4.822 71 3HD2 LEU 9 3HD2 LEU 9 -5.933 -0.736 -5.580 72 H THR 10 H THR 10 -8.892 -3.636 -7.043 73 HA THR 10 HA THR 10 -9.333 -6.440 -6.296 74 HB THR 10 HB THR 10 -10.027 -4.889 -8.794 75 HG1 THR 10 1HG THR 10 -11.565 -6.102 -6.750 76 1HG2 THR 10 1HG2 THR 10 -11.330 -7.327 -8.920 77 2HG2 THR 10 2HG2 THR 10 -9.672 -7.734 -8.467 78 3HG2 THR 10 3HG2 THR 10 -9.984 -6.791 -9.926 79 H PHE 11 H PHE 11 -7.721 -7.824 -6.630 80 HA PHE 11 HA PHE 11 -5.420 -7.001 -8.202 81 1HB PHE 11 2HB PHE 11 -4.267 -8.813 -7.183 82 2HB PHE 11 1HB PHE 11 -5.233 -8.064 -5.922 83 HD1 PHE 11 1HD PHE 11 -7.357 -9.169 -5.216 84 HD2 PHE 11 2HD PHE 11 -4.537 -10.998 -7.800 85 HE1 PHE 11 1HE PHE 11 -8.362 -11.369 -4.744 86 HE2 PHE 11 2HE PHE 11 -5.513 -13.194 -7.341 87 HZ PHE 11 HZ PHE 11 -7.438 -13.384 -5.813 88 H THR 12 H THR 12 -4.347 -9.070 -9.349 89 HA THR 12 HA THR 12 -6.193 -9.691 -11.498 90 HB THR 12 HB THR 12 -3.739 -9.031 -11.776 91 HG1 THR 12 1HG THR 12 -3.753 -11.209 -13.287 92 1HG2 THR 12 1HG2 THR 12 -2.078 -10.736 -11.720 93 2HG2 THR 12 2HG2 THR 12 -3.261 -11.945 -11.236 94 3HG2 THR 12 3HG2 THR 12 -2.830 -10.648 -10.127 95 H ASP 13 H ASP 13 -5.139 -12.179 -12.326 96 HA ASP 13 HA ASP 13 -6.556 -13.936 -10.484 97 1HB ASP 13 2HB ASP 13 -5.428 -14.451 -13.241 98 2HB ASP 13 1HB ASP 13 -6.409 -15.586 -12.315 99 H ALA 14 H ALA 14 -3.398 -13.588 -11.983 100 HA ALA 14 HA ALA 14 -2.219 -15.909 -10.997 101 1HB ALA 14 1HB ALA 14 -0.108 -14.931 -11.574 102 2HB ALA 14 2HB ALA 14 -0.802 -13.312 -11.539 103 3HB ALA 14 3HB ALA 14 -1.290 -14.444 -12.787 104 H ALA 15 H ALA 15 -2.417 -12.665 -9.565 105 HA ALA 15 HA ALA 15 -0.732 -13.069 -7.395 106 1HB ALA 15 1HB ALA 15 -1.441 -11.042 -6.784 107 2HB ALA 15 2HB ALA 15 -3.099 -11.607 -6.599 108 3HB ALA 15 3HB ALA 15 -2.516 -11.079 -8.184 109 H ALA 16 H ALA 16 -3.968 -14.171 -8.028 110 HA ALA 16 HA ALA 16 -4.499 -15.238 -5.416 111 1HB ALA 16 1HB ALA 16 -6.279 -14.710 -7.073 112 2HB ALA 16 2HB ALA 16 -6.351 -16.365 -6.486 113 3HB ALA 16 3HB ALA 16 -5.668 -16.021 -8.080 114 H ASN 17 H ASN 17 -3.310 -16.411 -8.482 115 HA ASN 17 HA ASN 17 -3.134 -19.125 -7.981 116 1HB ASN 17 2HB ASN 17 -1.572 -17.267 -9.751 117 2HB ASN 17 1HB ASN 17 -1.162 -18.972 -9.653 118 1HD2 ASN 17 1HD2 ASN 17 -4.146 -17.067 -9.884 119 2HD2 ASN 17 2HD2 ASN 17 -4.789 -17.935 -11.216 120 H LYS 18 H LYS 18 -0.598 -16.637 -7.520 121 HA LYS 18 HA LYS 18 1.381 -18.325 -6.557 122 1HB LYS 18 2HB LYS 18 2.486 -16.398 -5.746 123 2HB LYS 18 1HB LYS 18 1.608 -15.887 -7.178 124 1HG LYS 18 2HG LYS 18 0.587 -14.308 -6.019 125 2HG LYS 18 1HG LYS 18 -0.066 -15.506 -4.903 126 1HD LYS 18 2HD LYS 18 2.307 -15.435 -3.847 127 2HD LYS 18 1HD LYS 18 2.443 -13.894 -4.698 128 1HE LYS 18 2HE LYS 18 0.601 -12.978 -3.517 129 2HE LYS 18 1HE LYS 18 0.151 -14.554 -2.865 130 1HZ LYS 18 1HZ LYS 18 2.271 -12.730 -2.023 131 2HZ LYS 18 2HZ LYS 18 2.584 -14.386 -1.898 132 3HZ LYS 18 3HZ LYS 18 1.258 -13.714 -1.090 133 H VAL 19 H VAL 19 -1.441 -17.030 -4.991 134 HA VAL 19 HA VAL 19 -0.637 -17.732 -2.332 135 HB VAL 19 HB VAL 19 -3.367 -17.080 -3.448 136 1HG1 VAL 19 1HG1 VAL 19 -2.510 -17.969 -0.823 137 2HG1 VAL 19 2HG1 VAL 19 -4.134 -17.818 -1.487 138 3HG1 VAL 19 3HG1 VAL 19 -3.344 -16.418 -0.760 139 1HG2 VAL 19 1HG2 VAL 19 -1.537 -15.315 -3.581 140 2HG2 VAL 19 2HG2 VAL 19 -1.619 -15.263 -1.820 141 3HG2 VAL 19 3HG2 VAL 19 -3.039 -14.858 -2.780 142 H LYS 20 H LYS 20 -3.393 -18.877 -4.245 143 HA LYS 20 HA LYS 20 -3.901 -21.192 -2.836 144 1HB LYS 20 2HB LYS 20 -4.902 -21.977 -5.068 145 2HB LYS 20 1HB LYS 20 -5.571 -20.537 -4.322 146 1HG LYS 20 2HG LYS 20 -5.137 -19.361 -6.147 147 2HG LYS 20 1HG LYS 20 -3.425 -19.772 -6.032 148 1HD LYS 20 2HD LYS 20 -5.301 -21.802 -7.117 149 2HD LYS 20 1HD LYS 20 -4.855 -20.438 -8.140 150 1HE LYS 20 2HE LYS 20 -2.602 -21.023 -8.147 151 2HE LYS 20 1HE LYS 20 -2.770 -22.052 -6.725 152 1HZ LYS 20 1HZ LYS 20 -3.960 -23.662 -8.004 153 2HZ LYS 20 2HZ LYS 20 -2.521 -23.300 -8.817 154 3HZ LYS 20 3HZ LYS 20 -3.987 -22.655 -9.363 155 H SER 21 H SER 21 -1.341 -20.563 -5.044 156 HA SER 21 HA SER 21 -0.920 -23.324 -5.701 157 1HB SER 21 2HB SER 21 0.670 -20.837 -6.327 158 2HB SER 21 1HB SER 21 1.151 -22.454 -6.849 159 HG SER 21 HG SER 21 -0.277 -22.355 -8.380 160 H LEU 22 H LEU 22 0.802 -20.897 -3.750 161 HA LEU 22 HA LEU 22 2.715 -22.895 -2.928 162 1HB LEU 22 2HB LEU 22 4.032 -21.196 -2.306 163 2HB LEU 22 1HB LEU 22 2.918 -20.222 -3.240 164 HG LEU 22 HG LEU 22 3.490 -19.178 -1.110 165 1HD1 LEU 22 1HD1 LEU 22 1.440 -18.487 -1.923 166 2HD1 LEU 22 2HD1 LEU 22 1.100 -18.937 -0.254 167 3HD1 LEU 22 3HD1 LEU 22 0.669 -20.025 -1.570 168 1HD2 LEU 22 1HD2 LEU 22 3.380 -20.148 0.907 169 2HD2 LEU 22 2HD2 LEU 22 3.463 -21.645 -0.021 170 3HD2 LEU 22 3HD2 LEU 22 1.901 -21.037 0.529 171 H ILE 23 H ILE 23 -0.250 -21.559 -1.743 172 HA ILE 23 HA ILE 23 0.121 -22.387 0.952 173 HB ILE 23 HB ILE 23 -2.287 -21.997 1.183 174 1HG1 ILE 23 2HG1 ILE 23 -3.113 -20.729 -1.042 175 2HG1 ILE 23 1HG1 ILE 23 -2.089 -21.974 -1.748 176 1HG2 ILE 23 1HG2 ILE 23 -0.333 -20.056 0.233 177 2HG2 ILE 23 2HG2 ILE 23 -1.390 -19.993 1.635 178 3HG2 ILE 23 3HG2 ILE 23 -2.004 -19.535 0.052 179 1HD1 ILE 23 1HD1 ILE 23 -3.687 -23.483 -1.485 180 2HD1 ILE 23 2HD1 ILE 23 -4.746 -22.212 -0.873 181 3HD1 ILE 23 3HD1 ILE 23 -3.757 -23.147 0.243 182 H SER 24 H SER 24 -1.619 -23.658 -1.841 183 HA SER 24 HA SER 24 -2.634 -25.968 -0.646 184 1HB SER 24 2HB SER 24 -1.962 -25.197 -3.462 185 2HB SER 24 1HB SER 24 -2.427 -26.858 -3.103 186 HG SER 24 HG SER 24 -4.416 -26.221 -2.597 187 H GLU 25 H GLU 25 0.505 -25.042 -1.668 188 HA GLU 25 HA GLU 25 1.595 -27.686 -1.758 189 1HB GLU 25 2HB GLU 25 2.362 -25.256 -2.805 190 2HB GLU 25 1HB GLU 25 3.497 -25.484 -1.483 191 1HG GLU 25 2HG GLU 25 3.564 -27.927 -2.652 192 2HG GLU 25 1HG GLU 25 3.268 -26.893 -4.044 193 H GLU 26 H GLU 26 0.946 -25.303 0.626 194 HA GLU 26 HA GLU 26 2.960 -26.227 2.472 195 1HB GLU 26 2HB GLU 26 0.588 -24.427 2.908 196 2HB GLU 26 1HB GLU 26 1.872 -24.710 4.067 197 1HG GLU 26 2HG GLU 26 2.865 -23.849 1.483 198 2HG GLU 26 1HG GLU 26 1.757 -22.690 2.209 199 H GLU 27 H GLU 27 -0.166 -27.131 1.513 200 HA GLU 27 HA GLU 27 -1.387 -28.974 2.093 201 1HB GLU 27 2HB GLU 27 0.987 -29.633 3.252 202 2HB GLU 27 1HB GLU 27 -0.037 -29.494 4.675 203 1HG GLU 27 2HG GLU 27 -1.585 -31.119 3.752 204 2HG GLU 27 1HG GLU 27 -0.623 -31.220 2.279 205 H ASN 28 H ASN 28 -1.270 -26.074 3.331 206 HA ASN 28 HA ASN 28 -2.494 -26.134 5.839 207 1HB ASN 28 2HB ASN 28 -3.487 -24.089 3.929 208 2HB ASN 28 1HB ASN 28 -2.936 -23.900 5.578 209 1HD2 ASN 28 1HD2 ASN 28 -2.239 -23.464 2.377 210 2HD2 ASN 28 2HD2 ASN 28 -0.575 -23.062 2.518 211 H THR 29 H THR 29 -4.178 -25.428 2.798 212 HA THR 29 HA THR 29 -6.064 -27.363 2.669 213 HB THR 29 HB THR 29 -6.850 -27.168 4.861 214 HG1 THR 29 1HG THR 29 -8.916 -26.355 4.659 215 1HG2 THR 29 1HG2 THR 29 -6.536 -25.398 6.154 216 2HG2 THR 29 2HG2 THR 29 -7.556 -24.406 5.109 217 3HG2 THR 29 3HG2 THR 29 -5.827 -24.569 4.768 218 H ASP 30 H ASP 30 -6.022 -23.817 2.947 219 HA ASP 30 HA ASP 30 -6.492 -23.207 0.299 220 1HB ASP 30 2HB ASP 30 -8.934 -24.006 1.741 221 2HB ASP 30 1HB ASP 30 -9.048 -22.432 0.951 222 H LEU 31 H LEU 31 -4.886 -21.988 1.576 223 HA LEU 31 HA LEU 31 -5.495 -20.120 3.496 224 1HB LEU 31 2HB LEU 31 -3.316 -20.891 1.882 225 2HB LEU 31 1HB LEU 31 -3.389 -19.148 1.862 226 HG LEU 31 HG LEU 31 -1.941 -19.753 3.633 227 1HD1 LEU 31 1HD1 LEU 31 -2.964 -18.704 5.459 228 2HD1 LEU 31 2HD1 LEU 31 -4.561 -19.282 4.995 229 3HD1 LEU 31 3HD1 LEU 31 -3.758 -18.039 4.039 230 1HD2 LEU 31 1HD2 LEU 31 -3.551 -22.066 3.775 231 2HD2 LEU 31 2HD2 LEU 31 -3.669 -21.261 5.343 232 3HD2 LEU 31 3HD2 LEU 31 -2.087 -21.691 4.696 233 H LYS 32 H LYS 32 -5.659 -17.918 3.471 234 HA LYS 32 HA LYS 32 -6.798 -16.752 1.019 235 1HB LYS 32 2HB LYS 32 -7.386 -15.746 3.793 236 2HB LYS 32 1HB LYS 32 -8.310 -15.501 2.320 237 1HG LYS 32 2HG LYS 32 -9.238 -17.638 2.401 238 2HG LYS 32 1HG LYS 32 -8.008 -18.228 3.521 239 1HD LYS 32 2HD LYS 32 -10.155 -17.892 4.646 240 2HD LYS 32 1HD LYS 32 -8.917 -16.809 5.284 241 1HE LYS 32 2HE LYS 32 -9.796 -15.032 3.769 242 2HE LYS 32 1HE LYS 32 -11.109 -16.125 3.334 243 1HZ LYS 32 1HZ LYS 32 -12.015 -14.856 5.017 244 2HZ LYS 32 2HZ LYS 32 -10.578 -14.791 5.907 245 3HZ LYS 32 3HZ LYS 32 -11.483 -16.219 5.868 246 H LEU 33 H LEU 33 -5.582 -15.173 0.166 247 HA LEU 33 HA LEU 33 -3.187 -14.325 1.288 248 1HB LEU 33 2HB LEU 33 -3.963 -14.273 -1.136 249 2HB LEU 33 1HB LEU 33 -4.779 -12.779 -0.735 250 HG LEU 33 HG LEU 33 -2.531 -12.554 -1.849 251 1HD1 LEU 33 1HD1 LEU 33 -3.580 -11.138 0.447 252 2HD1 LEU 33 2HD1 LEU 33 -2.859 -10.519 -1.028 253 3HD1 LEU 33 3HD1 LEU 33 -1.828 -10.990 0.319 254 1HD2 LEU 33 1HD2 LEU 33 -0.711 -13.494 -0.997 255 2HD2 LEU 33 2HD2 LEU 33 -1.749 -14.328 0.159 256 3HD2 LEU 33 3HD2 LEU 33 -1.017 -12.782 0.586 257 H ARG 34 H ARG 34 -2.537 -12.464 2.322 258 HA ARG 34 HA ARG 34 -4.607 -10.571 3.126 259 1HB ARG 34 2HB ARG 34 -4.488 -11.931 5.053 260 2HB ARG 34 1HB ARG 34 -2.739 -12.030 4.980 261 1HG ARG 34 2HG ARG 34 -3.468 -9.294 5.225 262 2HG ARG 34 1HG ARG 34 -4.362 -10.218 6.432 263 1HD ARG 34 2HD ARG 34 -2.117 -11.315 6.985 264 2HD ARG 34 1HD ARG 34 -1.390 -10.004 6.056 265 HE ARG 34 HE ARG 34 -3.196 -9.017 8.021 266 1HH1 ARG 34 1HH1 ARG 34 0.026 -10.287 7.595 267 2HH1 ARG 34 2HH1 ARG 34 0.666 -9.469 8.980 268 1HH2 ARG 34 1HH2 ARG 34 -2.357 -7.939 9.842 269 2HH2 ARG 34 2HH2 ARG 34 -0.686 -8.136 10.256 270 H VAL 35 H VAL 35 -3.931 -8.926 1.982 271 HA VAL 35 HA VAL 35 -1.179 -8.293 1.569 272 HB VAL 35 HB VAL 35 -3.551 -6.541 1.015 273 1HG1 VAL 35 1HG1 VAL 35 -2.070 -5.764 -0.858 274 2HG1 VAL 35 2HG1 VAL 35 -0.766 -6.690 -0.115 275 3HG1 VAL 35 3HG1 VAL 35 -1.505 -5.351 0.761 276 1HG2 VAL 35 1HG2 VAL 35 -4.047 -8.642 0.027 277 2HG2 VAL 35 2HG2 VAL 35 -2.406 -8.797 -0.600 278 3HG2 VAL 35 3HG2 VAL 35 -3.492 -7.573 -1.260 279 H TYR 36 H TYR 36 -0.054 -6.505 2.192 280 HA TYR 36 HA TYR 36 -1.136 -4.815 4.319 281 1HB TYR 36 2HB TYR 36 1.406 -5.076 5.218 282 2HB TYR 36 1HB TYR 36 0.058 -6.030 5.825 283 HD1 TYR 36 1HD TYR 36 3.311 -6.176 4.522 284 HD2 TYR 36 2HD TYR 36 -0.396 -8.263 4.486 285 HE1 TYR 36 1HE TYR 36 4.486 -8.234 3.866 286 HE2 TYR 36 2HE TYR 36 0.766 -10.326 3.830 287 HH TYR 36 HH TYR 36 3.628 -11.036 4.231 288 H ILE 37 H ILE 37 0.786 -3.094 4.804 289 HA ILE 37 HA ILE 37 1.218 -1.862 2.212 290 HB ILE 37 HB ILE 37 1.536 -0.860 5.031 291 1HG1 ILE 37 2HG1 ILE 37 -0.729 -0.889 4.140 292 2HG1 ILE 37 1HG1 ILE 37 -0.161 0.776 4.273 293 1HG2 ILE 37 1HG2 ILE 37 2.693 0.221 2.528 294 2HG2 ILE 37 2HG2 ILE 37 3.267 0.350 4.191 295 3HG2 ILE 37 3HG2 ILE 37 1.942 1.373 3.635 296 1HD1 ILE 37 1HD1 ILE 37 -1.116 0.834 2.214 297 2HD1 ILE 37 2HD1 ILE 37 -0.741 -0.851 1.865 298 3HD1 ILE 37 3HD1 ILE 37 0.525 0.373 1.764 299 H THR 38 H THR 38 2.949 -2.388 1.098 300 HA THR 38 HA THR 38 5.575 -2.285 2.359 301 HB THR 38 HB THR 38 4.748 -4.643 0.664 302 HG1 THR 38 1HG THR 38 3.780 -4.602 2.801 303 1HG2 THR 38 1HG2 THR 38 7.281 -3.827 1.953 304 2HG2 THR 38 2HG2 THR 38 6.996 -4.660 0.424 305 3HG2 THR 38 3HG2 THR 38 6.860 -5.542 1.948 306 H GLY 39 H GLY 39 4.104 -0.620 0.490 307 1HA GLY 39 2HA GLY 39 4.829 -0.988 -2.176 308 2HA GLY 39 1HA GLY 39 4.474 0.565 -1.430 309 H GLY 40 H GLY 40 6.056 1.542 -2.746 310 1HA GLY 40 2HA GLY 40 8.828 0.714 -2.404 311 2HA GLY 40 1HA GLY 40 8.234 1.967 -3.490 312 H GLY 41 H GLY 41 7.269 1.932 -0.141 313 1HA GLY 41 2HA GLY 41 8.009 3.183 1.669 314 2HA GLY 41 1HA GLY 41 9.354 3.749 0.691 315 H CYS 42 H CYS 42 9.013 5.513 -0.757 316 HA CYS 42 HA CYS 42 7.532 7.616 0.321 317 1HB CYS 42 2HB CYS 42 9.475 7.424 -1.565 318 2HB CYS 42 1HB CYS 42 8.077 7.761 -2.579 319 HG CYS 42 HG CYS 42 8.642 9.705 -0.244 320 H SER 43 H SER 43 6.631 5.138 -1.941 321 HA SER 43 HA SER 43 3.939 6.313 -2.079 322 1HB SER 43 2HB SER 43 5.515 6.361 -4.235 323 2HB SER 43 1HB SER 43 4.899 4.718 -4.404 324 HG SER 43 HG SER 43 3.379 5.858 -5.404 325 H GLY 44 H GLY 44 2.652 4.325 -3.447 326 1HA GLY 44 2HA GLY 44 3.212 1.815 -2.049 327 2HA GLY 44 1HA GLY 44 1.654 2.574 -1.765 328 H PHE 45 H PHE 45 3.505 0.600 -3.852 329 HA PHE 45 HA PHE 45 1.169 0.306 -5.594 330 1HB PHE 45 2HB PHE 45 2.493 0.346 -7.600 331 2HB PHE 45 1HB PHE 45 2.832 1.816 -6.686 332 HD1 PHE 45 1HD PHE 45 4.290 -0.685 -8.558 333 HD2 PHE 45 2HD PHE 45 4.848 1.462 -4.928 334 HE1 PHE 45 1HE PHE 45 6.688 -1.225 -8.614 335 HE2 PHE 45 2HE PHE 45 7.245 0.930 -4.971 336 HZ PHE 45 HZ PHE 45 8.174 -0.414 -6.819 337 H GLN 46 H GLN 46 3.330 -1.212 -3.598 338 HA GLN 46 HA GLN 46 3.241 -3.713 -5.137 339 1HB GLN 46 2HB GLN 46 5.023 -2.823 -2.879 340 2HB GLN 46 1HB GLN 46 4.955 -4.487 -3.437 341 1HG GLN 46 2HG GLN 46 5.940 -3.989 -5.464 342 2HG GLN 46 1HG GLN 46 5.503 -2.282 -5.369 343 1HE2 GLN 46 1HE2 GLN 46 6.529 -1.064 -3.600 344 2HE2 GLN 46 2HE2 GLN 46 8.179 -1.415 -3.213 345 H TYR 47 H TYR 47 3.350 -2.968 -1.665 346 HA TYR 47 HA TYR 47 2.016 -3.613 0.065 347 1HB TYR 47 2HB TYR 47 0.080 -4.738 -1.955 348 2HB TYR 47 1HB TYR 47 -0.252 -4.245 -0.297 349 HD1 TYR 47 1HD TYR 47 -0.077 -1.791 0.283 350 HD2 TYR 47 2HD TYR 47 -0.091 -3.208 -3.722 351 HE1 TYR 47 1HE TYR 47 -0.687 0.458 -0.498 352 HE2 TYR 47 2HE TYR 47 -0.703 -0.961 -4.522 353 HH TYR 47 HH TYR 47 -0.619 1.804 -2.473 354 H GLY 48 H GLY 48 2.916 -5.158 1.182 355 1HA GLY 48 2HA GLY 48 3.835 -7.604 0.113 356 2HA GLY 48 1HA GLY 48 3.738 -7.204 1.817 357 H PHE 49 H PHE 49 2.955 -9.533 -0.106 358 HA PHE 49 HA PHE 49 0.218 -9.945 0.856 359 1HB PHE 49 2HB PHE 49 1.779 -10.939 -1.484 360 2HB PHE 49 1HB PHE 49 0.448 -11.911 -0.877 361 HD1 PHE 49 1HD PHE 49 -1.075 -11.733 -2.626 362 HD2 PHE 49 2HD PHE 49 0.650 -8.227 -0.966 363 HE1 PHE 49 1HE PHE 49 -2.682 -10.363 -3.877 364 HE2 PHE 49 2HE PHE 49 -0.937 -6.840 -2.212 365 HZ PHE 49 HZ PHE 49 -2.615 -7.903 -3.679 366 H THR 50 H THR 50 -0.297 -11.551 2.205 367 HA THR 50 HA THR 50 1.700 -13.644 2.760 368 HB THR 50 HB THR 50 1.616 -11.840 4.573 369 HG1 THR 50 1HG THR 50 0.921 -14.447 5.425 370 1HG2 THR 50 1HG2 THR 50 -0.154 -11.629 6.007 371 2HG2 THR 50 2HG2 THR 50 -0.822 -13.211 5.590 372 3HG2 THR 50 3HG2 THR 50 -0.984 -11.858 4.467 373 H PHE 51 H PHE 51 0.671 -15.595 3.819 374 HA PHE 51 HA PHE 51 -2.029 -15.941 2.727 375 1HB PHE 51 2HB PHE 51 -0.135 -18.185 3.380 376 2HB PHE 51 1HB PHE 51 -1.506 -18.193 2.279 377 HD1 PHE 51 1HD PHE 51 -1.361 -16.745 0.206 378 HD2 PHE 51 2HD PHE 51 2.011 -17.715 2.603 379 HE1 PHE 51 1HE PHE 51 0.132 -16.095 -1.642 380 HE2 PHE 51 2HE PHE 51 3.514 -17.083 0.761 381 HZ PHE 51 HZ PHE 51 2.576 -16.267 -1.364 382 H ASP 52 H ASP 52 -3.313 -15.397 4.352 383 HA ASP 52 HA ASP 52 -2.959 -16.819 6.908 384 1HB ASP 52 2HB ASP 52 -3.912 -14.966 8.072 385 2HB ASP 52 1HB ASP 52 -2.684 -14.315 6.989 386 H GLU 53 H GLU 53 -4.310 -18.406 7.068 387 HA GLU 53 HA GLU 53 -6.741 -18.604 5.593 388 1HB GLU 53 2HB GLU 53 -5.063 -20.361 7.020 389 2HB GLU 53 1HB GLU 53 -6.643 -20.475 7.782 390 1HG GLU 53 2HG GLU 53 -6.861 -20.504 4.907 391 2HG GLU 53 1HG GLU 53 -5.780 -21.770 5.479 392 H LYS 54 H LYS 54 -5.914 -17.399 8.718 393 HA LYS 54 HA LYS 54 -8.221 -17.716 10.169 394 1HB LYS 54 2HB LYS 54 -7.554 -15.257 10.994 395 2HB LYS 54 1HB LYS 54 -6.658 -16.698 11.471 396 1HG LYS 54 2HG LYS 54 -5.717 -15.523 8.967 397 2HG LYS 54 1HG LYS 54 -5.607 -14.424 10.345 398 1HD LYS 54 2HD LYS 54 -4.726 -17.101 11.020 399 2HD LYS 54 1HD LYS 54 -3.809 -16.430 9.675 400 1HE LYS 54 2HE LYS 54 -4.236 -14.537 11.856 401 2HE LYS 54 1HE LYS 54 -3.328 -15.965 12.337 402 1HZ LYS 54 1HZ LYS 54 -2.001 -14.027 11.460 403 2HZ LYS 54 2HZ LYS 54 -2.628 -14.391 9.927 404 3HZ LYS 54 3HZ LYS 54 -1.680 -15.526 10.748 405 H VAL 55 H VAL 55 -7.755 -14.398 9.203 406 HA VAL 55 HA VAL 55 -9.406 -13.835 7.204 407 HB VAL 55 HB VAL 55 -11.198 -15.207 8.209 408 1HG1 VAL 55 1HG1 VAL 55 -10.709 -14.770 10.572 409 2HG1 VAL 55 2HG1 VAL 55 -12.393 -14.455 10.170 410 3HG1 VAL 55 3HG1 VAL 55 -11.279 -13.111 10.370 411 1HG2 VAL 55 1HG2 VAL 55 -13.002 -13.591 7.919 412 2HG2 VAL 55 2HG2 VAL 55 -11.757 -13.397 6.684 413 3HG2 VAL 55 3HG2 VAL 55 -11.833 -12.273 8.039 414 H ASN 56 H ASN 56 -8.345 -13.016 10.366 415 HA ASN 56 HA ASN 56 -8.102 -11.038 11.466 416 1HB ASN 56 2HB ASN 56 -7.551 -10.219 8.614 417 2HB ASN 56 1HB ASN 56 -7.215 -9.197 10.010 418 1HD2 ASN 56 1HD2 ASN 56 -6.728 -12.593 9.110 419 2HD2 ASN 56 2HD2 ASN 56 -5.073 -12.661 9.601 420 H ASP 57 H ASP 57 -10.158 -10.714 12.249 421 HA ASP 57 HA ASP 57 -12.419 -9.882 10.960 422 1HB ASP 57 2HB ASP 57 -11.421 -9.181 13.715 423 2HB ASP 57 1HB ASP 57 -13.017 -8.702 13.145 424 H GLY 58 H GLY 58 -9.806 -7.747 12.130 425 1HA GLY 58 2HA GLY 58 -11.164 -5.435 10.984 426 2HA GLY 58 1HA GLY 58 -9.662 -5.415 11.913 427 H ASP 59 H ASP 59 -10.755 -7.081 8.964 428 HA ASP 59 HA ASP 59 -8.815 -5.664 7.346 429 1HB ASP 59 2HB ASP 59 -8.232 -8.363 8.373 430 2HB ASP 59 1HB ASP 59 -8.155 -8.258 6.622 431 H LEU 60 H LEU 60 -10.014 -5.141 5.617 432 HA LEU 60 HA LEU 60 -12.370 -6.456 4.868 433 1HB LEU 60 2HB LEU 60 -10.681 -4.835 2.981 434 2HB LEU 60 1HB LEU 60 -12.406 -5.081 2.922 435 HG LEU 60 HG LEU 60 -10.821 -3.249 4.664 436 1HD1 LEU 60 1HD1 LEU 60 -11.735 -2.178 2.809 437 2HD1 LEU 60 2HD1 LEU 60 -12.876 -1.828 4.102 438 3HD1 LEU 60 3HD1 LEU 60 -13.243 -3.078 2.914 439 1HD2 LEU 60 1HD2 LEU 60 -12.924 -2.944 6.027 440 2HD2 LEU 60 2HD2 LEU 60 -11.994 -4.406 6.351 441 3HD2 LEU 60 3HD2 LEU 60 -13.458 -4.493 5.373 442 H THR 61 H THR 61 -12.835 -8.049 3.382 443 HA THR 61 HA THR 61 -10.492 -9.345 2.168 444 HB THR 61 HB THR 61 -11.134 -11.410 2.877 445 HG1 THR 61 1HG THR 61 -13.825 -10.560 3.054 446 1HG2 THR 61 1HG2 THR 61 -11.599 -11.408 5.094 447 2HG2 THR 61 2HG2 THR 61 -12.839 -10.158 4.951 448 3HG2 THR 61 3HG2 THR 61 -11.124 -9.724 4.878 449 H ILE 62 H ILE 62 -10.525 -9.865 0.105 450 HA ILE 62 HA ILE 62 -13.027 -9.562 -1.417 451 HB ILE 62 HB ILE 62 -10.957 -9.128 -3.230 452 1HG1 ILE 62 2HG1 ILE 62 -9.445 -8.774 -1.251 453 2HG1 ILE 62 1HG1 ILE 62 -9.559 -7.399 -2.339 454 1HG2 ILE 62 1HG2 ILE 62 -13.080 -7.552 -1.946 455 2HG2 ILE 62 2HG2 ILE 62 -12.765 -7.875 -3.652 456 3HG2 ILE 62 3HG2 ILE 62 -11.831 -6.644 -2.800 457 1HD1 ILE 62 1HD1 ILE 62 -10.051 -6.128 -0.601 458 2HD1 ILE 62 2HD1 ILE 62 -10.094 -7.537 0.460 459 3HD1 ILE 62 3HD1 ILE 62 -11.551 -7.034 -0.397 460 H GLU 63 H GLU 63 -13.502 -11.775 -1.617 461 HA GLU 63 HA GLU 63 -11.623 -13.798 -2.079 462 1HB GLU 63 2HB GLU 63 -14.084 -14.026 -1.409 463 2HB GLU 63 1HB GLU 63 -14.434 -13.888 -3.124 464 1HG GLU 63 2HG GLU 63 -13.081 -15.857 -3.575 465 2HG GLU 63 1HG GLU 63 -12.698 -15.992 -1.860 466 H LYS 64 H LYS 64 -11.080 -14.949 -3.998 467 HA LYS 64 HA LYS 64 -11.855 -13.904 -6.557 468 1HB LYS 64 2HB LYS 64 -9.449 -12.927 -5.256 469 2HB LYS 64 1HB LYS 64 -9.105 -13.637 -6.830 470 1HG LYS 64 2HG LYS 64 -11.358 -11.700 -6.571 471 2HG LYS 64 1HG LYS 64 -9.701 -11.097 -6.590 472 1HD LYS 64 2HD LYS 64 -10.987 -12.821 -8.713 473 2HD LYS 64 1HD LYS 64 -10.674 -11.088 -8.831 474 1HE LYS 64 2HE LYS 64 -8.222 -11.700 -8.379 475 2HE LYS 64 1HE LYS 64 -8.702 -13.350 -8.766 476 1HZ LYS 64 1HZ LYS 64 -8.395 -11.053 -10.511 477 2HZ LYS 64 2HZ LYS 64 -9.732 -12.026 -10.830 478 3HZ LYS 64 3HZ LYS 64 -8.180 -12.698 -10.837 479 H SER 65 H SER 65 -9.915 -14.746 -8.165 480 HA SER 65 HA SER 65 -10.029 -16.864 -9.321 481 1HB SER 65 2HB SER 65 -7.729 -15.655 -8.589 482 2HB SER 65 1HB SER 65 -7.476 -17.262 -7.907 483 HG SER 65 HG SER 65 -7.980 -18.101 -10.011 484 H GLY 66 H GLY 66 -8.424 -17.662 -6.232 485 1HA GLY 66 2HA GLY 66 -10.298 -19.885 -5.892 486 2HA GLY 66 1HA GLY 66 -8.614 -20.298 -6.167 487 H VAL 67 H VAL 67 -9.346 -17.445 -4.321 488 HA VAL 67 HA VAL 67 -9.224 -18.821 -1.780 489 HB VAL 67 HB VAL 67 -7.202 -17.866 -0.964 490 1HG1 VAL 67 1HG1 VAL 67 -6.977 -19.922 -2.290 491 2HG1 VAL 67 2HG1 VAL 67 -5.526 -18.921 -2.336 492 3HG1 VAL 67 3HG1 VAL 67 -6.625 -18.940 -3.711 493 1HG2 VAL 67 1HG2 VAL 67 -7.630 -15.860 -2.826 494 2HG2 VAL 67 2HG2 VAL 67 -6.166 -16.664 -3.389 495 3HG2 VAL 67 3HG2 VAL 67 -6.239 -16.019 -1.749 496 H GLN 68 H GLN 68 -8.294 -16.510 -0.320 497 HA GLN 68 HA GLN 68 -10.368 -14.525 -0.917 498 1HB GLN 68 2HB GLN 68 -10.173 -16.248 1.402 499 2HB GLN 68 1HB GLN 68 -10.111 -14.553 1.868 500 1HG GLN 68 2HG GLN 68 -12.206 -15.390 -0.059 501 2HG GLN 68 1HG GLN 68 -12.385 -15.861 1.631 502 1HE2 GLN 68 1HE2 GLN 68 -11.003 -12.934 0.248 503 2HE2 GLN 68 2HE2 GLN 68 -12.117 -11.846 0.984 504 H LEU 69 H LEU 69 -9.608 -12.513 -0.989 505 HA LEU 69 HA LEU 69 -6.875 -12.020 -0.057 506 1HB LEU 69 2HB LEU 69 -8.562 -10.997 -2.211 507 2HB LEU 69 1HB LEU 69 -7.701 -9.736 -1.356 508 HG LEU 69 HG LEU 69 -6.499 -10.538 -3.347 509 1HD1 LEU 69 1HD1 LEU 69 -5.121 -9.553 -1.750 510 2HD1 LEU 69 2HD1 LEU 69 -4.340 -11.092 -2.113 511 3HD1 LEU 69 3HD1 LEU 69 -5.289 -10.910 -0.637 512 1HD2 LEU 69 1HD2 LEU 69 -5.388 -12.791 -3.150 513 2HD2 LEU 69 2HD2 LEU 69 -7.123 -12.821 -3.470 514 3HD2 LEU 69 3HD2 LEU 69 -6.520 -13.143 -1.844 515 H VAL 70 H VAL 70 -7.070 -11.608 2.129 516 HA VAL 70 HA VAL 70 -8.880 -9.439 2.896 517 HB VAL 70 HB VAL 70 -9.243 -10.372 4.888 518 1HG1 VAL 70 1HG1 VAL 70 -9.326 -12.219 3.045 519 2HG1 VAL 70 2HG1 VAL 70 -9.546 -12.635 4.744 520 3HG1 VAL 70 3HG1 VAL 70 -7.987 -12.908 3.964 521 1HG2 VAL 70 1HG2 VAL 70 -7.003 -9.935 5.739 522 2HG2 VAL 70 2HG2 VAL 70 -6.415 -11.409 4.969 523 3HG2 VAL 70 3HG2 VAL 70 -7.598 -11.502 6.266 524 H ILE 71 H ILE 71 -7.951 -7.521 2.752 525 HA ILE 71 HA ILE 71 -5.127 -7.277 3.494 526 HB ILE 71 HB ILE 71 -4.935 -5.373 2.177 527 1HG1 ILE 71 2HG1 ILE 71 -6.880 -4.145 3.041 528 2HG1 ILE 71 1HG1 ILE 71 -6.803 -4.071 1.285 529 1HG2 ILE 71 1HG2 ILE 71 -5.746 -7.660 1.042 530 2HG2 ILE 71 2HG2 ILE 71 -5.298 -6.224 0.121 531 3HG2 ILE 71 3HG2 ILE 71 -6.996 -6.572 0.441 532 1HD1 ILE 71 1HD1 ILE 71 -9.013 -4.501 1.562 533 2HD1 ILE 71 2HD1 ILE 71 -8.766 -5.422 3.045 534 3HD1 ILE 71 3HD1 ILE 71 -8.405 -6.155 1.482 535 H ASP 72 H ASP 72 -4.502 -5.166 4.535 536 HA ASP 72 HA ASP 72 -6.179 -4.836 6.891 537 1HB ASP 72 2HB ASP 72 -4.215 -3.644 7.835 538 2HB ASP 72 1HB ASP 72 -3.844 -5.284 7.296 539 HA PRO 73 HA PRO 73 -8.194 -1.024 6.030 540 1HB PRO 73 2HB PRO 73 -7.058 -0.255 8.689 541 2HB PRO 73 1HB PRO 73 -8.704 -0.063 8.074 542 1HG PRO 73 2HG PRO 73 -8.105 -2.032 9.767 543 2HG PRO 73 1HG PRO 73 -9.238 -2.290 8.427 544 1HD PRO 73 2HD PRO 73 -6.447 -3.241 8.752 545 2HD PRO 73 1HD PRO 73 -7.789 -3.962 7.848 546 H MET 74 H MET 74 -4.915 -0.860 7.402 547 HA MET 74 HA MET 74 -4.348 1.771 6.729 548 1HB MET 74 2HB MET 74 -2.681 0.999 8.060 549 2HB MET 74 1HB MET 74 -2.803 -0.636 7.433 550 1HG MET 74 2HG MET 74 -1.193 -0.314 5.902 551 2HG MET 74 1HG MET 74 -1.631 1.368 5.608 552 1HE MET 74 1HE MET 74 -0.404 3.402 6.689 553 2HE MET 74 2HE MET 74 0.189 3.325 8.348 554 3HE MET 74 3HE MET 74 -1.504 2.976 8.000 555 H SER 75 H SER 75 -3.983 -1.197 4.872 556 HA SER 75 HA SER 75 -2.968 0.176 2.563 557 1HB SER 75 2HB SER 75 -4.103 -2.627 2.745 558 2HB SER 75 1HB SER 75 -3.088 -1.982 1.456 559 HG SER 75 HG SER 75 -1.465 -2.610 2.610 560 H LEU 76 H LEU 76 -6.078 -0.834 3.791 561 HA LEU 76 HA LEU 76 -7.711 -0.919 1.637 562 1HB LEU 76 2HB LEU 76 -8.996 -1.227 3.430 563 2HB LEU 76 1HB LEU 76 -8.018 -0.177 4.425 564 HG LEU 76 HG LEU 76 -9.987 0.950 2.452 565 1HD1 LEU 76 1HD1 LEU 76 -11.309 -0.485 3.796 566 2HD1 LEU 76 2HD1 LEU 76 -11.501 1.141 4.453 567 3HD1 LEU 76 3HD1 LEU 76 -10.436 -0.014 5.252 568 1HD2 LEU 76 1HD2 LEU 76 -9.839 2.532 4.706 569 2HD2 LEU 76 2HD2 LEU 76 -8.994 2.816 3.183 570 3HD2 LEU 76 3HD2 LEU 76 -8.187 1.957 4.495 571 H GLN 77 H GLN 77 -6.552 2.048 3.172 572 HA GLN 77 HA GLN 77 -7.920 3.671 1.248 573 1HB GLN 77 2HB GLN 77 -7.589 5.410 2.632 574 2HB GLN 77 1HB GLN 77 -7.221 4.153 3.797 575 1HG GLN 77 2HG GLN 77 -4.843 4.862 2.352 576 2HG GLN 77 1HG GLN 77 -5.613 6.305 3.007 577 1HE2 GLN 77 1HE2 GLN 77 -5.367 2.982 4.165 578 2HE2 GLN 77 2HE2 GLN 77 -4.646 3.375 5.680 579 H TYR 78 H TYR 78 -4.827 2.197 1.511 580 HA TYR 78 HA TYR 78 -3.515 4.003 -0.303 581 1HB TYR 78 2HB TYR 78 -2.744 1.356 0.909 582 2HB TYR 78 1HB TYR 78 -1.741 2.159 -0.299 583 HD1 TYR 78 1HD TYR 78 0.129 3.055 0.690 584 HD2 TYR 78 2HD TYR 78 -3.596 3.372 2.715 585 HE1 TYR 78 1HE TYR 78 1.217 4.349 2.473 586 HE2 TYR 78 2HE TYR 78 -2.520 4.665 4.505 587 HH TYR 78 HH TYR 78 -0.506 6.097 4.788 588 H LEU 79 H LEU 79 -4.970 0.801 -0.447 589 HA LEU 79 HA LEU 79 -4.328 0.572 -3.270 590 1HB LEU 79 2HB LEU 79 -5.086 -1.694 -3.162 591 2HB LEU 79 1HB LEU 79 -3.964 -1.358 -1.875 592 HG LEU 79 HG LEU 79 -6.295 -2.746 -1.619 593 1HD1 LEU 79 1HD1 LEU 79 -4.841 -3.112 0.056 594 2HD1 LEU 79 2HD1 LEU 79 -5.909 -1.993 0.905 595 3HD1 LEU 79 3HD1 LEU 79 -4.404 -1.408 0.194 596 1HD2 LEU 79 1HD2 LEU 79 -7.779 -1.409 -0.200 597 2HD2 LEU 79 2HD2 LEU 79 -7.728 -0.810 -1.854 598 3HD2 LEU 79 3HD2 LEU 79 -6.836 0.028 -0.584 599 H ILE 80 H ILE 80 -6.963 1.654 -1.457 600 HA ILE 80 HA ILE 80 -9.307 1.115 -2.270 601 HB ILE 80 HB ILE 80 -10.012 3.381 -2.611 602 1HG1 ILE 80 2HG1 ILE 80 -8.436 4.180 -4.221 603 2HG1 ILE 80 1HG1 ILE 80 -8.303 5.213 -2.801 604 1HG2 ILE 80 1HG2 ILE 80 -9.481 2.819 -0.354 605 2HG2 ILE 80 2HG2 ILE 80 -8.949 4.473 -0.660 606 3HG2 ILE 80 3HG2 ILE 80 -7.774 3.160 -0.624 607 1HD1 ILE 80 1HD1 ILE 80 -6.108 4.821 -3.483 608 2HD1 ILE 80 2HD1 ILE 80 -6.412 3.108 -3.772 609 3HD1 ILE 80 3HD1 ILE 80 -6.353 3.726 -2.122 610 H GLY 81 H GLY 81 -10.343 0.380 -3.888 611 1HA GLY 81 2HA GLY 81 -10.733 -0.413 -6.019 612 2HA GLY 81 1HA GLY 81 -11.020 1.303 -6.253 613 H GLY 82 H GLY 82 -7.796 -0.081 -5.742 614 1HA GLY 82 2HA GLY 82 -7.004 1.028 -8.321 615 2HA GLY 82 1HA GLY 82 -5.931 0.314 -7.121 616 H THR 83 H THR 83 -4.856 -1.004 -8.627 617 HA THR 83 HA THR 83 -6.284 -3.451 -9.268 618 HB THR 83 HB THR 83 -5.130 -1.628 -11.365 619 HG1 THR 83 1HG THR 83 -7.565 -3.039 -11.068 620 1HG2 THR 83 1HG2 THR 83 -4.222 -3.372 -12.408 621 2HG2 THR 83 2HG2 THR 83 -5.881 -3.876 -12.735 622 3HG2 THR 83 3HG2 THR 83 -5.016 -4.535 -11.344 623 H VAL 84 H VAL 84 -4.973 -5.217 -9.110 624 HA VAL 84 HA VAL 84 -2.070 -4.740 -9.057 625 HB VAL 84 HB VAL 84 -1.901 -5.256 -6.916 626 1HG1 VAL 84 1HG1 VAL 84 -4.266 -4.416 -6.782 627 2HG1 VAL 84 2HG1 VAL 84 -3.717 -5.426 -5.450 628 3HG1 VAL 84 3HG1 VAL 84 -4.763 -6.106 -6.696 629 1HG2 VAL 84 1HG2 VAL 84 -2.588 -7.566 -6.105 630 2HG2 VAL 84 2HG2 VAL 84 -1.411 -7.480 -7.415 631 3HG2 VAL 84 3HG2 VAL 84 -3.093 -7.867 -7.767 632 H ASP 85 H ASP 85 -0.747 -6.564 -9.480 633 HA ASP 85 HA ASP 85 -1.991 -8.975 -10.457 634 1HB ASP 85 2HB ASP 85 -0.622 -8.772 -12.641 635 2HB ASP 85 1HB ASP 85 -2.134 -7.872 -12.511 636 H TYR 86 H TYR 86 -0.584 -10.729 -10.561 637 HA TYR 86 HA TYR 86 2.107 -10.222 -9.482 638 1HB TYR 86 2HB TYR 86 0.006 -11.621 -8.315 639 2HB TYR 86 1HB TYR 86 1.069 -12.875 -8.931 640 HD1 TYR 86 1HD TYR 86 0.278 -11.663 -6.025 641 HD2 TYR 86 2HD TYR 86 3.718 -11.643 -8.518 642 HE1 TYR 86 1HE TYR 86 1.703 -11.407 -4.040 643 HE2 TYR 86 2HE TYR 86 5.159 -11.387 -6.545 644 HH TYR 86 HH TYR 86 4.460 -10.300 -3.886 645 H THR 87 H THR 87 3.793 -11.362 -10.324 646 HA THR 87 HA THR 87 3.320 -13.472 -12.247 647 HB THR 87 HB THR 87 4.722 -10.908 -13.010 648 HG1 THR 87 1HG THR 87 2.348 -12.156 -13.897 649 1HG2 THR 87 1HG2 THR 87 5.397 -11.817 -15.015 650 2HG2 THR 87 2HG2 THR 87 4.283 -13.177 -14.888 651 3HG2 THR 87 3HG2 THR 87 5.726 -13.124 -13.875 652 H GLU 88 H GLU 88 4.388 -14.772 -10.762 653 HA GLU 88 HA GLU 88 6.828 -14.129 -9.557 654 1HB GLU 88 2HB GLU 88 6.013 -16.938 -10.178 655 2HB GLU 88 1HB GLU 88 6.948 -16.348 -8.820 656 1HG GLU 88 2HG GLU 88 5.117 -16.176 -7.607 657 2HG GLU 88 1HG GLU 88 4.419 -15.065 -8.784 658 H GLY 89 H GLY 89 8.897 -15.284 -9.878 659 1HA GLY 89 2HA GLY 89 9.439 -15.983 -12.670 660 2HA GLY 89 1HA GLY 89 10.362 -14.679 -11.948 661 H LEU 90 H LEU 90 12.360 -15.425 -11.643 662 HA LEU 90 HA LEU 90 12.789 -18.178 -10.814 663 1HB LEU 90 2HB LEU 90 14.499 -15.989 -11.884 664 2HB LEU 90 1HB LEU 90 15.267 -17.248 -10.927 665 HG LEU 90 HG LEU 90 14.626 -18.936 -12.481 666 1HD1 LEU 90 1HD1 LEU 90 12.505 -18.555 -13.235 667 2HD1 LEU 90 2HD1 LEU 90 13.424 -18.016 -14.641 668 3HD1 LEU 90 3HD1 LEU 90 12.792 -16.832 -13.497 669 1HD2 LEU 90 1HD2 LEU 90 15.608 -18.008 -14.626 670 2HD2 LEU 90 2HD2 LEU 90 16.603 -17.865 -13.177 671 3HD2 LEU 90 3HD2 LEU 90 15.723 -16.459 -13.779 672 H GLU 91 H GLU 91 12.090 -18.231 -8.695 673 HA GLU 91 HA GLU 91 12.143 -17.931 -6.437 674 1HB GLU 91 2HB GLU 91 15.062 -17.311 -6.902 675 2HB GLU 91 1HB GLU 91 14.329 -17.927 -5.422 676 1HG GLU 91 2HG GLU 91 14.114 -20.045 -6.252 677 2HG GLU 91 1HG GLU 91 14.040 -19.508 -7.924 678 H GLY 92 H GLY 92 11.669 -15.542 -8.168 679 1HA GLY 92 2HA GLY 92 11.908 -13.577 -6.038 680 2HA GLY 92 1HA GLY 92 12.769 -13.193 -7.529 681 H SER 93 H SER 93 9.561 -14.325 -6.474 682 HA SER 93 HA SER 93 8.192 -13.496 -8.746 683 1HB SER 93 2HB SER 93 6.152 -13.677 -7.380 684 2HB SER 93 1HB SER 93 7.227 -15.048 -7.102 685 HG SER 93 HG SER 93 6.397 -14.154 -5.152 686 H ARG 94 H ARG 94 7.889 -11.599 -9.543 687 HA ARG 94 HA ARG 94 8.278 -9.228 -7.913 688 1HB ARG 94 2HB ARG 94 7.950 -7.997 -10.066 689 2HB ARG 94 1HB ARG 94 9.277 -9.148 -10.083 690 1HG ARG 94 2HG ARG 94 8.217 -9.416 -12.144 691 2HG ARG 94 1HG ARG 94 7.645 -10.772 -11.169 692 1HD ARG 94 2HD ARG 94 5.537 -10.121 -11.412 693 2HD ARG 94 1HD ARG 94 5.918 -8.511 -10.803 694 HE ARG 94 HE ARG 94 5.654 -9.312 -13.565 695 1HH1 ARG 94 1HH1 ARG 94 6.898 -6.913 -11.354 696 2HH1 ARG 94 2HH1 ARG 94 6.946 -5.660 -12.547 697 1HH2 ARG 94 1HH2 ARG 94 5.720 -7.664 -15.133 698 2HH2 ARG 94 2HH2 ARG 94 6.278 -6.085 -14.691 699 H PHE 95 H PHE 95 6.738 -7.493 -7.789 700 HA PHE 95 HA PHE 95 3.954 -8.257 -8.301 701 1HB PHE 95 2HB PHE 95 4.717 -8.771 -5.904 702 2HB PHE 95 1HB PHE 95 4.781 -7.027 -5.677 703 HD1 PHE 95 1HD PHE 95 2.299 -8.984 -7.616 704 HD2 PHE 95 2HD PHE 95 3.070 -6.640 -4.147 705 HE1 PHE 95 1HE PHE 95 -0.103 -8.967 -7.096 706 HE2 PHE 95 2HE PHE 95 0.672 -6.625 -3.616 707 HZ PHE 95 HZ PHE 95 -0.918 -7.785 -5.102 708 H THR 96 H THR 96 2.720 -6.631 -9.066 709 HA THR 96 HA THR 96 3.613 -3.871 -8.636 710 HB THR 96 HB THR 96 2.644 -4.616 -11.360 711 HG1 THR 96 1HG THR 96 4.750 -5.098 -11.981 712 1HG2 THR 96 1HG2 THR 96 2.929 -2.318 -11.149 713 2HG2 THR 96 2HG2 THR 96 4.405 -2.868 -11.943 714 3HG2 THR 96 3HG2 THR 96 4.419 -2.494 -10.218 715 H VAL 97 H VAL 97 2.017 -2.527 -8.140 716 HA VAL 97 HA VAL 97 -0.752 -3.311 -8.779 717 HB VAL 97 HB VAL 97 -0.033 -1.858 -6.245 718 1HG1 VAL 97 1HG1 VAL 97 -2.446 -3.288 -7.286 719 2HG1 VAL 97 2HG1 VAL 97 -2.311 -1.655 -6.628 720 3HG1 VAL 97 3HG1 VAL 97 -2.200 -3.052 -5.556 721 1HG2 VAL 97 1HG2 VAL 97 0.625 -4.562 -6.833 722 2HG2 VAL 97 2HG2 VAL 97 -0.680 -4.548 -5.647 723 3HG2 VAL 97 3HG2 VAL 97 0.813 -3.678 -5.322 724 H ASN 98 H ASN 98 -2.285 -1.414 -8.606 725 HA ASN 98 HA ASN 98 -1.016 1.169 -9.106 726 1HB ASN 98 2HB ASN 98 -3.032 -0.036 -11.014 727 2HB ASN 98 1HB ASN 98 -2.258 1.545 -11.160 728 1HD2 ASN 98 1HD2 ASN 98 -2.220 -1.465 -12.350 729 2HD2 ASN 98 2HD2 ASN 98 -0.571 -1.586 -12.840 730 H ASN 99 H ASN 99 -2.333 2.954 -8.720 731 HA ASN 99 HA ASN 99 -5.096 2.856 -8.220 732 1HB ASN 99 2HB ASN 99 -4.868 3.301 -5.675 733 2HB ASN 99 1HB ASN 99 -4.782 1.635 -6.247 734 1HD2 ASN 99 1HD2 ASN 99 -3.386 0.589 -5.045 735 2HD2 ASN 99 2HD2 ASN 99 -1.822 1.151 -4.578 736 HA PRO 100 HA PRO 100 -4.773 7.229 -8.411 737 1HB PRO 100 2HB PRO 100 -6.288 8.097 -6.262 738 2HB PRO 100 1HB PRO 100 -6.938 7.615 -7.835 739 1HG PRO 100 2HG PRO 100 -6.750 6.051 -5.297 740 2HG PRO 100 1HG PRO 100 -8.053 6.091 -6.498 741 1HD PRO 100 2HD PRO 100 -6.315 4.055 -6.381 742 2HD PRO 100 1HD PRO 100 -6.945 4.642 -7.929 743 H ASN 101 H ASN 101 -4.316 5.952 -5.142 744 HA ASN 101 HA ASN 101 -2.918 8.218 -4.165 745 1HB ASN 101 2HB ASN 101 -3.169 7.159 -2.210 746 2HB ASN 101 1HB ASN 101 -3.929 5.831 -3.084 747 1HD2 ASN 101 1HD2 ASN 101 -2.248 4.333 -4.144 748 2HD2 ASN 101 2HD2 ASN 101 -0.943 3.845 -3.115 749 H ALA 102 H ALA 102 -1.942 5.342 -5.901 750 HA ALA 102 HA ALA 102 0.867 5.699 -5.408 751 1HB ALA 102 1HB ALA 102 -0.625 3.963 -7.367 752 2HB ALA 102 2HB ALA 102 0.098 3.477 -5.834 753 3HB ALA 102 3HB ALA 102 1.129 3.958 -7.181 754 H THR 103 H THR 103 0.424 8.099 -6.103 755 HA THR 103 HA THR 103 0.771 8.392 -9.000 756 HB THR 103 HB THR 103 0.605 10.941 -8.084 757 HG1 THR 103 1HG THR 103 -1.086 9.434 -6.384 758 1HG2 THR 103 1HG2 THR 103 -1.585 11.030 -8.865 759 2HG2 THR 103 2HG2 THR 103 -1.907 9.351 -8.431 760 3HG2 THR 103 3HG2 THR 103 -0.845 9.723 -9.789 761 H SER 104 H SER 104 2.361 8.884 -5.935 762 HA SER 104 HA SER 104 4.484 9.464 -5.367 763 1HB SER 104 2HB SER 104 6.223 8.605 -6.684 764 2HB SER 104 1HB SER 104 4.853 7.580 -7.105 765 HG SER 104 HG SER 104 6.227 8.585 -8.857 766 H THR 105 H THR 105 6.299 10.990 -5.831 767 HA THR 105 HA THR 105 5.838 13.050 -7.792 768 HB THR 105 HB THR 105 5.894 14.052 -4.977 769 HG1 THR 105 1HG THR 105 3.550 13.219 -6.337 770 1HG2 THR 105 1HG2 THR 105 5.999 15.846 -6.396 771 2HG2 THR 105 2HG2 THR 105 4.260 15.709 -6.138 772 3HG2 THR 105 3HG2 THR 105 4.984 15.079 -7.618 773 H CYS 106 H CYS 106 7.755 13.731 -8.474 774 HA CYS 106 HA CYS 106 10.092 13.278 -6.751 775 1HB CYS 106 2HB CYS 106 9.670 13.307 -9.706 776 2HB CYS 106 1HB CYS 106 11.252 13.764 -9.085 777 HG CYS 106 HG CYS 106 10.127 10.946 -9.188 778 H GLY 107 H GLY 107 10.408 15.074 -5.558 779 1HA GLY 107 2HA GLY 107 11.732 17.252 -6.205 780 2HA GLY 107 1HA GLY 107 10.146 17.702 -6.827 781 H CYS 108 H CYS 108 9.035 16.022 -4.462 782 HA CYS 108 HA CYS 108 8.810 18.273 -2.676 783 1HB CYS 108 2HB CYS 108 7.649 15.485 -2.543 784 2HB CYS 108 1HB CYS 108 7.274 16.774 -1.404 785 HG CYS 108 HG CYS 108 6.222 18.082 -3.484 786 H GLY 109 H GLY 109 9.903 14.894 -2.329 787 1HA GLY 109 2HA GLY 109 11.445 13.946 -0.917 788 2HA GLY 109 1HA GLY 109 12.169 15.547 -0.788 789 H SER 110 H SER 110 12.588 14.769 1.439 790 HA SER 110 HA SER 110 12.207 14.894 3.677 791 1HB SER 110 2HB SER 110 9.688 16.439 3.069 792 2HB SER 110 1HB SER 110 10.728 16.559 4.488 793 HG SER 110 HG SER 110 11.289 18.263 3.251 794 H SER 111 H SER 111 11.628 13.150 4.770 795 HA SER 111 HA SER 111 8.861 12.319 4.869 796 1HB SER 111 2HB SER 111 10.932 10.793 3.383 797 2HB SER 111 1HB SER 111 9.845 9.859 4.411 798 HG SER 111 HG SER 111 8.914 10.040 2.393 799 H PHE 112 H PHE 112 8.509 12.098 6.969 800 HA PHE 112 HA PHE 112 10.635 11.582 8.827 801 1HB PHE 112 2HB PHE 112 7.660 11.636 9.353 802 2HB PHE 112 1HB PHE 112 8.944 11.792 10.546 803 HD1 PHE 112 1HD PHE 112 10.190 13.857 10.771 804 HD2 PHE 112 2HD PHE 112 7.074 13.473 7.898 805 HE1 PHE 112 1HE PHE 112 10.152 16.301 10.493 806 HE2 PHE 112 2HE PHE 112 7.031 15.917 7.612 807 HZ PHE 112 HZ PHE 112 8.572 17.334 8.910 808 H SER 113 H SER 113 9.712 9.985 10.731 809 HA SER 113 HA SER 113 9.340 7.393 9.391 810 1HB SER 113 2HB SER 113 10.640 6.358 11.114 811 2HB SER 113 1HB SER 113 11.552 7.760 10.551 812 HG SER 113 HG SER 113 10.662 8.904 12.368 813 H ILE 114 H ILE 114 8.255 5.750 10.718 814 HA ILE 114 HA ILE 114 5.716 6.452 11.461 815 HB ILE 114 HB ILE 114 5.466 4.283 12.445 816 1HG1 ILE 114 2HG1 ILE 114 7.528 4.342 13.846 817 2HG1 ILE 114 1HG1 ILE 114 7.315 2.819 12.989 818 1HG2 ILE 114 1HG2 ILE 114 7.459 3.975 10.217 819 2HG2 ILE 114 2HG2 ILE 114 5.797 4.509 9.968 820 3HG2 ILE 114 3HG2 ILE 114 6.118 2.906 10.629 821 1HD1 ILE 114 1HD1 ILE 114 8.881 3.805 11.230 822 2HD1 ILE 114 2HD1 ILE 114 9.577 3.307 12.771 823 3HD1 ILE 114 3HD1 ILE 114 9.274 5.015 12.451 Start of MODEL 20 1 1H MET 1 1HT MET 1 -23.925 -12.272 5.248 2 2H MET 1 2HT MET 1 -22.520 -12.411 6.223 3 3H MET 1 3HT MET 1 -23.761 -13.594 6.328 4 HA MET 1 HA MET 1 -21.726 -14.205 5.052 5 1HB MET 1 2HB MET 1 -24.494 -14.287 3.842 6 2HB MET 1 1HB MET 1 -23.148 -15.257 3.259 7 1HG MET 1 2HG MET 1 -23.334 -15.645 6.057 8 2HG MET 1 1HG MET 1 -24.952 -15.792 5.388 9 1HE MET 1 1HE MET 1 -21.275 -17.889 3.873 10 2HE MET 1 2HE MET 1 -21.472 -18.180 5.603 11 3HE MET 1 3HE MET 1 -21.386 -16.530 4.985 12 H ILE 2 H ILE 2 -21.265 -14.363 2.578 13 HA ILE 2 HA ILE 2 -21.212 -11.631 1.502 14 HB ILE 2 HB ILE 2 -19.183 -12.478 0.214 15 1HG1 ILE 2 2HG1 ILE 2 -19.877 -14.886 1.251 16 2HG1 ILE 2 1HG1 ILE 2 -18.274 -14.474 0.681 17 1HG2 ILE 2 1HG2 ILE 2 -18.913 -12.192 3.202 18 2HG2 ILE 2 2HG2 ILE 2 -19.139 -10.854 2.076 19 3HG2 ILE 2 3HG2 ILE 2 -17.686 -11.851 1.977 20 1HD1 ILE 2 1HD1 ILE 2 -18.301 -15.627 2.866 21 2HD1 ILE 2 2HD1 ILE 2 -19.153 -14.240 3.538 22 3HD1 ILE 2 3HD1 ILE 2 -17.524 -14.047 2.914 23 H ASP 3 H ASP 3 -20.470 -11.962 -1.001 24 HA ASP 3 HA ASP 3 -21.451 -14.041 -2.526 25 1HB ASP 3 2HB ASP 3 -23.614 -12.951 -3.363 26 2HB ASP 3 1HB ASP 3 -23.675 -13.727 -1.782 27 H ASP 4 H ASP 4 -21.593 -10.484 -2.444 28 HA ASP 4 HA ASP 4 -20.860 -10.319 -5.237 29 1HB ASP 4 2HB ASP 4 -22.481 -8.743 -4.116 30 2HB ASP 4 1HB ASP 4 -21.107 -8.052 -3.258 31 H MET 5 H MET 5 -19.419 -9.388 -2.125 32 HA MET 5 HA MET 5 -17.281 -8.848 -1.540 33 1HB MET 5 2HB MET 5 -16.598 -10.806 -3.737 34 2HB MET 5 1HB MET 5 -15.533 -10.303 -2.431 35 1HG MET 5 2HG MET 5 -18.139 -11.438 -1.643 36 2HG MET 5 1HG MET 5 -16.976 -12.547 -2.373 37 1HE MET 5 1HE MET 5 -17.530 -9.806 0.198 38 2HE MET 5 2HE MET 5 -15.825 -9.410 -0.017 39 3HE MET 5 3HE MET 5 -16.372 -10.138 1.487 40 H ALA 6 H ALA 6 -14.922 -8.485 -2.807 41 HA ALA 6 HA ALA 6 -13.723 -7.136 -4.208 42 1HB ALA 6 1HB ALA 6 -16.199 -6.514 -5.772 43 2HB ALA 6 2HB ALA 6 -15.356 -8.054 -5.947 44 3HB ALA 6 3HB ALA 6 -14.520 -6.545 -6.313 45 H VAL 7 H VAL 7 -13.823 -5.947 -2.122 46 HA VAL 7 HA VAL 7 -15.551 -3.644 -2.050 47 HB VAL 7 HB VAL 7 -13.444 -3.705 -0.015 48 1HG1 VAL 7 1HG1 VAL 7 -15.596 -2.365 -0.073 49 2HG1 VAL 7 2HG1 VAL 7 -15.234 -3.208 1.434 50 3HG1 VAL 7 3HG1 VAL 7 -16.425 -3.873 0.315 51 1HG2 VAL 7 1HG2 VAL 7 -13.520 -6.068 -0.164 52 2HG2 VAL 7 2HG2 VAL 7 -15.272 -6.076 -0.335 53 3HG2 VAL 7 3HG2 VAL 7 -14.542 -5.629 1.208 54 HA PRO 8 HA PRO 8 -11.638 -1.206 -2.751 55 1HB PRO 8 2HB PRO 8 -9.394 -1.812 -1.557 56 2HB PRO 8 1HB PRO 8 -10.851 -1.653 -0.567 57 1HG PRO 8 2HG PRO 8 -9.459 -4.130 -1.489 58 2HG PRO 8 1HG PRO 8 -10.261 -3.805 0.058 59 1HD PRO 8 2HD PRO 8 -11.373 -5.068 -2.267 60 2HD PRO 8 1HD PRO 8 -12.197 -4.685 -0.746 61 H LEU 9 H LEU 9 -8.711 -2.386 -2.866 62 HA LEU 9 HA LEU 9 -8.320 -2.304 -5.603 63 1HB LEU 9 2HB LEU 9 -6.639 -1.955 -3.793 64 2HB LEU 9 1HB LEU 9 -6.625 -3.684 -3.521 65 HG LEU 9 HG LEU 9 -4.873 -3.761 -4.896 66 1HD1 LEU 9 1HD1 LEU 9 -6.329 -4.667 -6.503 67 2HD1 LEU 9 2HD1 LEU 9 -5.299 -3.521 -7.350 68 3HD1 LEU 9 3HD1 LEU 9 -6.949 -3.077 -6.942 69 1HD2 LEU 9 1HD2 LEU 9 -4.384 -1.765 -6.474 70 2HD2 LEU 9 2HD2 LEU 9 -4.174 -1.576 -4.735 71 3HD2 LEU 9 3HD2 LEU 9 -5.619 -0.949 -5.522 72 H THR 10 H THR 10 -8.606 -3.717 -7.192 73 HA THR 10 HA THR 10 -9.138 -6.527 -6.542 74 HB THR 10 HB THR 10 -9.674 -4.885 -9.020 75 HG1 THR 10 1HG THR 10 -11.628 -4.803 -8.271 76 1HG2 THR 10 1HG2 THR 10 -9.316 -7.719 -8.837 77 2HG2 THR 10 2HG2 THR 10 -9.678 -6.721 -10.246 78 3HG2 THR 10 3HG2 THR 10 -10.991 -7.337 -9.242 79 H PHE 11 H PHE 11 -7.559 -7.951 -6.834 80 HA PHE 11 HA PHE 11 -5.126 -7.165 -8.213 81 1HB PHE 11 2HB PHE 11 -4.121 -9.047 -7.162 82 2HB PHE 11 1HB PHE 11 -5.181 -8.322 -5.960 83 HD1 PHE 11 1HD PHE 11 -7.388 -9.387 -5.498 84 HD2 PHE 11 2HD PHE 11 -4.402 -11.188 -7.910 85 HE1 PHE 11 1HE PHE 11 -8.508 -11.569 -5.239 86 HE2 PHE 11 2HE PHE 11 -5.486 -13.364 -7.666 87 HZ PHE 11 HZ PHE 11 -7.553 -13.558 -6.335 88 H THR 12 H THR 12 -4.041 -9.227 -9.360 89 HA THR 12 HA THR 12 -5.756 -9.740 -11.651 90 HB THR 12 HB THR 12 -3.293 -9.072 -11.772 91 HG1 THR 12 1HG THR 12 -3.199 -11.193 -13.348 92 1HG2 THR 12 1HG2 THR 12 -1.628 -10.768 -11.672 93 2HG2 THR 12 2HG2 THR 12 -2.828 -12.000 -11.299 94 3HG2 THR 12 3HG2 THR 12 -2.471 -10.739 -10.124 95 H ASP 13 H ASP 13 -4.604 -12.214 -12.491 96 HA ASP 13 HA ASP 13 -6.153 -14.027 -10.815 97 1HB ASP 13 2HB ASP 13 -4.823 -14.442 -13.497 98 2HB ASP 13 1HB ASP 13 -5.844 -15.629 -12.678 99 H ALA 14 H ALA 14 -2.894 -13.646 -12.073 100 HA ALA 14 HA ALA 14 -1.787 -15.980 -11.023 101 1HB ALA 14 1HB ALA 14 0.348 -15.033 -11.490 102 2HB ALA 14 2HB ALA 14 -0.309 -13.397 -11.445 103 3HB ALA 14 3HB ALA 14 -0.760 -14.491 -12.752 104 H ALA 15 H ALA 15 -2.158 -12.762 -9.582 105 HA ALA 15 HA ALA 15 -0.583 -13.148 -7.322 106 1HB ALA 15 1HB ALA 15 -1.354 -11.138 -6.741 107 2HB ALA 15 2HB ALA 15 -3.014 -11.723 -6.666 108 3HB ALA 15 3HB ALA 15 -2.337 -11.174 -8.205 109 H ALA 16 H ALA 16 -3.741 -14.312 -8.186 110 HA ALA 16 HA ALA 16 -4.448 -15.389 -5.626 111 1HB ALA 16 1HB ALA 16 -6.092 -14.931 -7.451 112 2HB ALA 16 2HB ALA 16 -6.175 -16.570 -6.831 113 3HB ALA 16 3HB ALA 16 -5.366 -16.247 -8.367 114 H ASN 17 H ASN 17 -2.992 -16.565 -8.582 115 HA ASN 17 HA ASN 17 -2.730 -19.251 -7.980 116 1HB ASN 17 2HB ASN 17 -1.170 -17.382 -9.734 117 2HB ASN 17 1HB ASN 17 -0.697 -19.062 -9.578 118 1HD2 ASN 17 1HD2 ASN 17 -3.578 -17.095 -10.175 119 2HD2 ASN 17 2HD2 ASN 17 -4.215 -18.103 -11.418 120 H LYS 18 H LYS 18 -0.470 -16.583 -7.349 121 HA LYS 18 HA LYS 18 1.627 -18.069 -6.281 122 1HB LYS 18 2HB LYS 18 2.081 -15.813 -6.753 123 2HB LYS 18 1HB LYS 18 0.677 -15.249 -5.861 124 1HG LYS 18 2HG LYS 18 2.877 -16.630 -4.398 125 2HG LYS 18 1HG LYS 18 3.075 -14.946 -4.888 126 1HD LYS 18 2HD LYS 18 0.562 -14.941 -3.804 127 2HD LYS 18 1HD LYS 18 1.403 -16.113 -2.787 128 1HE LYS 18 2HE LYS 18 2.387 -13.327 -3.390 129 2HE LYS 18 1HE LYS 18 1.530 -13.798 -1.923 130 1HZ LYS 18 1HZ LYS 18 3.789 -15.475 -2.476 131 2HZ LYS 18 2HZ LYS 18 3.378 -14.654 -1.055 132 3HZ LYS 18 3HZ LYS 18 4.224 -13.851 -2.280 133 H VAL 19 H VAL 19 -1.424 -17.113 -4.924 134 HA VAL 19 HA VAL 19 -0.701 -17.795 -2.218 135 HB VAL 19 HB VAL 19 -3.396 -17.151 -3.418 136 1HG1 VAL 19 1HG1 VAL 19 -2.592 -18.018 -0.775 137 2HG1 VAL 19 2HG1 VAL 19 -4.204 -17.860 -1.467 138 3HG1 VAL 19 3HG1 VAL 19 -3.416 -16.462 -0.735 139 1HG2 VAL 19 1HG2 VAL 19 -2.654 -15.060 -3.546 140 2HG2 VAL 19 2HG2 VAL 19 -1.136 -15.489 -2.761 141 3HG2 VAL 19 3HG2 VAL 19 -2.539 -15.053 -1.788 142 H LYS 20 H LYS 20 -3.348 -18.934 -4.279 143 HA LYS 20 HA LYS 20 -3.957 -21.237 -2.908 144 1HB LYS 20 2HB LYS 20 -4.739 -22.063 -5.240 145 2HB LYS 20 1HB LYS 20 -5.525 -20.679 -4.496 146 1HG LYS 20 2HG LYS 20 -4.929 -19.326 -6.154 147 2HG LYS 20 1HG LYS 20 -3.260 -19.900 -6.127 148 1HD LYS 20 2HD LYS 20 -4.404 -20.323 -8.282 149 2HD LYS 20 1HD LYS 20 -3.840 -21.800 -7.493 150 1HE LYS 20 2HE LYS 20 -6.237 -21.861 -6.486 151 2HE LYS 20 1HE LYS 20 -6.630 -20.771 -7.816 152 1HZ LYS 20 1HZ LYS 20 -6.991 -22.713 -8.880 153 2HZ LYS 20 2HZ LYS 20 -5.963 -23.601 -7.874 154 3HZ LYS 20 3HZ LYS 20 -5.317 -22.666 -9.127 155 H SER 21 H SER 21 -1.200 -20.659 -4.877 156 HA SER 21 HA SER 21 -0.788 -23.439 -5.478 157 1HB SER 21 2HB SER 21 0.912 -21.011 -6.014 158 2HB SER 21 1HB SER 21 1.342 -22.640 -6.525 159 HG SER 21 HG SER 21 -0.140 -22.566 -8.041 160 H LEU 22 H LEU 22 0.826 -21.033 -3.431 161 HA LEU 22 HA LEU 22 2.622 -23.067 -2.442 162 1HB LEU 22 2HB LEU 22 3.938 -21.400 -1.726 163 2HB LEU 22 1HB LEU 22 2.948 -20.413 -2.779 164 HG LEU 22 HG LEU 22 3.337 -19.315 -0.656 165 1HD1 LEU 22 1HD1 LEU 22 1.347 -18.644 -1.628 166 2HD1 LEU 22 2HD1 LEU 22 0.894 -19.044 0.026 167 3HD1 LEU 22 3HD1 LEU 22 0.548 -20.161 -1.278 168 1HD2 LEU 22 1HD2 LEU 22 3.094 -20.231 1.375 169 2HD2 LEU 22 2HD2 LEU 22 3.219 -21.758 0.503 170 3HD2 LEU 22 3HD2 LEU 22 1.631 -21.107 0.926 171 H ILE 23 H ILE 23 -0.398 -21.665 -1.523 172 HA ILE 23 HA ILE 23 -0.269 -22.404 1.210 173 HB ILE 23 HB ILE 23 -2.690 -22.036 1.223 174 1HG1 ILE 23 2HG1 ILE 23 -3.316 -20.828 -1.103 175 2HG1 ILE 23 1HG1 ILE 23 -2.217 -22.062 -1.689 176 1HG2 ILE 23 1HG2 ILE 23 -0.706 -20.076 0.284 177 2HG2 ILE 23 2HG2 ILE 23 -1.728 -20.053 1.716 178 3HG2 ILE 23 3HG2 ILE 23 -2.392 -19.598 0.147 179 1HD1 ILE 23 1HD1 ILE 23 -3.846 -23.561 -1.591 180 2HD1 ILE 23 2HD1 ILE 23 -4.950 -22.308 -1.022 181 3HD1 ILE 23 3HD1 ILE 23 -4.029 -23.260 0.142 182 H SER 24 H SER 24 -1.759 -23.763 -1.671 183 HA SER 24 HA SER 24 -2.826 -26.066 -0.474 184 1HB SER 24 2HB SER 24 -2.108 -25.259 -3.268 185 2HB SER 24 1HB SER 24 -2.466 -26.952 -2.944 186 HG SER 24 HG SER 24 -4.394 -26.028 -3.450 187 H GLU 25 H GLU 25 0.331 -25.109 -1.350 188 HA GLU 25 HA GLU 25 1.449 -27.748 -1.393 189 1HB GLU 25 2HB GLU 25 2.247 -25.205 -2.307 190 2HB GLU 25 1HB GLU 25 3.428 -25.686 -1.099 191 1HG GLU 25 2HG GLU 25 3.655 -27.853 -2.335 192 2HG GLU 25 1HG GLU 25 2.667 -27.141 -3.610 193 H GLU 26 H GLU 26 0.701 -25.326 0.921 194 HA GLU 26 HA GLU 26 2.668 -26.173 2.848 195 1HB GLU 26 2HB GLU 26 0.244 -24.433 3.181 196 2HB GLU 26 1HB GLU 26 1.515 -24.641 4.369 197 1HG GLU 26 2HG GLU 26 2.678 -23.862 1.891 198 2HG GLU 26 1HG GLU 26 1.358 -22.755 2.279 199 H GLU 27 H GLU 27 -0.403 -27.152 1.810 200 HA GLU 27 HA GLU 27 -1.617 -29.006 2.387 201 1HB GLU 27 2HB GLU 27 0.679 -29.747 3.485 202 2HB GLU 27 1HB GLU 27 -0.164 -29.368 4.980 203 1HG GLU 27 2HG GLU 27 -2.031 -30.878 3.997 204 2HG GLU 27 1HG GLU 27 -0.734 -31.495 2.972 205 H ASN 28 H ASN 28 -1.591 -26.089 3.559 206 HA ASN 28 HA ASN 28 -2.877 -26.137 6.041 207 1HB ASN 28 2HB ASN 28 -3.824 -24.120 4.061 208 2HB ASN 28 1HB ASN 28 -3.359 -23.907 5.746 209 1HD2 ASN 28 1HD2 ASN 28 -2.521 -23.428 2.592 210 2HD2 ASN 28 2HD2 ASN 28 -0.867 -23.006 2.824 211 H THR 29 H THR 29 -4.476 -25.476 2.946 212 HA THR 29 HA THR 29 -6.335 -27.446 2.787 213 HB THR 29 HB THR 29 -7.170 -27.197 4.972 214 HG1 THR 29 1HG THR 29 -8.815 -27.066 3.286 215 1HG2 THR 29 1HG2 THR 29 -6.173 -24.617 4.856 216 2HG2 THR 29 2HG2 THR 29 -7.045 -25.357 6.206 217 3HG2 THR 29 3HG2 THR 29 -7.920 -24.408 5.003 218 H ASP 30 H ASP 30 -6.307 -23.895 3.011 219 HA ASP 30 HA ASP 30 -6.689 -23.320 0.337 220 1HB ASP 30 2HB ASP 30 -9.172 -24.153 1.683 221 2HB ASP 30 1HB ASP 30 -9.280 -22.569 0.903 222 H LEU 31 H LEU 31 -5.145 -22.101 1.691 223 HA LEU 31 HA LEU 31 -5.835 -20.209 3.576 224 1HB LEU 31 2HB LEU 31 -3.579 -20.995 2.093 225 2HB LEU 31 1HB LEU 31 -3.658 -19.262 2.018 226 HG LEU 31 HG LEU 31 -2.295 -19.840 3.859 227 1HD1 LEU 31 1HD1 LEU 31 -3.385 -18.719 5.614 228 2HD1 LEU 31 2HD1 LEU 31 -4.967 -19.276 5.084 229 3HD1 LEU 31 3HD1 LEU 31 -4.092 -18.080 4.137 230 1HD2 LEU 31 1HD2 LEU 31 -4.148 -21.267 5.528 231 2HD2 LEU 31 2HD2 LEU 31 -2.525 -21.718 5.015 232 3HD2 LEU 31 3HD2 LEU 31 -3.912 -22.127 3.997 233 H LYS 32 H LYS 32 -5.983 -18.007 3.526 234 HA LYS 32 HA LYS 32 -7.017 -16.857 1.022 235 1HB LYS 32 2HB LYS 32 -7.692 -15.903 3.806 236 2HB LYS 32 1HB LYS 32 -8.519 -15.519 2.305 237 1HG LYS 32 2HG LYS 32 -9.497 -17.652 2.172 238 2HG LYS 32 1HG LYS 32 -8.421 -18.307 3.407 239 1HD LYS 32 2HD LYS 32 -10.660 -17.916 4.301 240 2HD LYS 32 1HD LYS 32 -9.471 -16.877 5.088 241 1HE LYS 32 2HE LYS 32 -10.134 -15.098 3.398 242 2HE LYS 32 1HE LYS 32 -11.499 -16.136 2.996 243 1HZ LYS 32 1HZ LYS 32 -12.531 -15.671 4.933 244 2HZ LYS 32 2HZ LYS 32 -11.592 -14.264 4.866 245 3HZ LYS 32 3HZ LYS 32 -11.095 -15.568 5.823 246 H LEU 33 H LEU 33 -5.799 -15.251 0.199 247 HA LEU 33 HA LEU 33 -3.407 -14.422 1.348 248 1HB LEU 33 2HB LEU 33 -4.200 -14.306 -1.084 249 2HB LEU 33 1HB LEU 33 -4.985 -12.809 -0.636 250 HG LEU 33 HG LEU 33 -2.739 -12.604 -1.763 251 1HD1 LEU 33 1HD1 LEU 33 -3.748 -11.230 0.586 252 2HD1 LEU 33 2HD1 LEU 33 -3.101 -10.585 -0.913 253 3HD1 LEU 33 3HD1 LEU 33 -2.007 -11.057 0.385 254 1HD2 LEU 33 1HD2 LEU 33 -0.910 -13.542 -0.923 255 2HD2 LEU 33 2HD2 LEU 33 -1.955 -14.423 0.189 256 3HD2 LEU 33 3HD2 LEU 33 -1.235 -12.892 0.683 257 H ARG 34 H ARG 34 -2.770 -12.507 2.360 258 HA ARG 34 HA ARG 34 -4.859 -10.667 3.205 259 1HB ARG 34 2HB ARG 34 -4.740 -12.255 5.035 260 2HB ARG 34 1HB ARG 34 -2.993 -12.080 5.112 261 1HG ARG 34 2HG ARG 34 -4.641 -9.637 5.457 262 2HG ARG 34 1HG ARG 34 -4.612 -10.812 6.773 263 1HD ARG 34 2HD ARG 34 -1.949 -10.511 5.956 264 2HD ARG 34 1HD ARG 34 -2.624 -8.884 5.993 265 HE ARG 34 HE ARG 34 -2.082 -10.585 8.237 266 1HH1 ARG 34 1HH1 ARG 34 -4.027 -7.934 7.076 267 2HH1 ARG 34 2HH1 ARG 34 -4.336 -7.302 8.659 268 1HH2 ARG 34 1HH2 ARG 34 -2.489 -9.757 10.323 269 2HH2 ARG 34 2HH2 ARG 34 -3.464 -8.336 10.500 270 H VAL 35 H VAL 35 -4.050 -9.022 2.047 271 HA VAL 35 HA VAL 35 -1.284 -8.413 1.856 272 HB VAL 35 HB VAL 35 -3.526 -6.504 1.303 273 1HG1 VAL 35 1HG1 VAL 35 -1.913 -5.793 -0.513 274 2HG1 VAL 35 2HG1 VAL 35 -0.710 -6.800 0.294 275 3HG1 VAL 35 3HG1 VAL 35 -1.428 -5.431 1.143 276 1HG2 VAL 35 1HG2 VAL 35 -4.222 -8.381 0.141 277 2HG2 VAL 35 2HG2 VAL 35 -2.575 -8.844 -0.294 278 3HG2 VAL 35 3HG2 VAL 35 -3.335 -7.447 -1.060 279 H TYR 36 H TYR 36 -0.236 -6.559 2.496 280 HA TYR 36 HA TYR 36 -1.332 -4.962 4.669 281 1HB TYR 36 2HB TYR 36 1.183 -5.286 5.631 282 2HB TYR 36 1HB TYR 36 -0.196 -6.227 6.186 283 HD1 TYR 36 1HD TYR 36 3.079 -6.398 4.925 284 HD2 TYR 36 2HD TYR 36 -0.658 -8.425 4.823 285 HE1 TYR 36 1HE TYR 36 4.229 -8.466 4.249 286 HE2 TYR 36 2HE TYR 36 0.475 -10.497 4.147 287 HH TYR 36 HH TYR 36 3.274 -11.283 4.557 288 H ILE 37 H ILE 37 0.428 -3.170 5.173 289 HA ILE 37 HA ILE 37 0.962 -1.978 2.613 290 HB ILE 37 HB ILE 37 1.313 -1.016 5.435 291 1HG1 ILE 37 2HG1 ILE 37 -0.937 -0.915 4.515 292 2HG1 ILE 37 1HG1 ILE 37 -0.285 0.719 4.645 293 1HG2 ILE 37 1HG2 ILE 37 2.591 0.007 2.974 294 2HG2 ILE 37 2HG2 ILE 37 3.100 0.145 4.658 295 3HG2 ILE 37 3HG2 ILE 37 1.838 1.206 4.029 296 1HD1 ILE 37 1HD1 ILE 37 -1.205 0.815 2.574 297 2HD1 ILE 37 2HD1 ILE 37 -0.921 -0.893 2.241 298 3HD1 ILE 37 3HD1 ILE 37 0.413 0.258 2.149 299 H THR 38 H THR 38 2.695 -2.274 1.464 300 HA THR 38 HA THR 38 5.336 -2.246 2.577 301 HB THR 38 HB THR 38 4.609 -4.762 1.101 302 HG1 THR 38 1HG THR 38 4.675 -4.495 3.921 303 1HG2 THR 38 1HG2 THR 38 6.900 -3.901 2.810 304 2HG2 THR 38 2HG2 THR 38 6.908 -4.578 1.181 305 3HG2 THR 38 3HG2 THR 38 6.528 -5.607 2.563 306 H GLY 39 H GLY 39 4.254 -0.511 0.830 307 1HA GLY 39 2HA GLY 39 4.462 -1.149 -1.894 308 2HA GLY 39 1HA GLY 39 4.559 0.470 -1.217 309 H GLY 40 H GLY 40 6.250 1.397 -2.131 310 1HA GLY 40 2HA GLY 40 8.811 -0.080 -2.085 311 2HA GLY 40 1HA GLY 40 8.343 0.955 -3.430 312 H GLY 41 H GLY 41 8.061 3.274 -2.956 313 1HA GLY 41 2HA GLY 41 9.327 4.244 -0.523 314 2HA GLY 41 1HA GLY 41 10.211 4.552 -2.009 315 H CYS 42 H CYS 42 8.467 6.101 0.112 316 HA CYS 42 HA CYS 42 7.160 7.962 0.147 317 1HB CYS 42 2HB CYS 42 8.083 8.397 -2.694 318 2HB CYS 42 1HB CYS 42 7.598 9.617 -1.521 319 HG CYS 42 HG CYS 42 10.180 7.988 -0.981 320 H SER 43 H SER 43 6.014 5.424 -0.911 321 HA SER 43 HA SER 43 3.454 6.361 -1.557 322 1HB SER 43 2HB SER 43 3.235 5.821 -3.890 323 2HB SER 43 1HB SER 43 4.615 6.906 -3.724 324 HG SER 43 HG SER 43 5.945 5.323 -4.248 325 H GLY 44 H GLY 44 2.255 4.364 -2.840 326 1HA GLY 44 2HA GLY 44 3.201 1.835 -1.697 327 2HA GLY 44 1HA GLY 44 1.607 2.410 -1.229 328 H PHE 45 H PHE 45 3.410 0.702 -3.542 329 HA PHE 45 HA PHE 45 0.996 0.378 -5.176 330 1HB PHE 45 2HB PHE 45 2.286 0.441 -7.232 331 2HB PHE 45 1HB PHE 45 2.534 1.940 -6.330 332 HD1 PHE 45 1HD PHE 45 4.140 -0.481 -8.195 333 HD2 PHE 45 2HD PHE 45 4.580 1.741 -4.594 334 HE1 PHE 45 1HE PHE 45 6.569 -0.862 -8.261 335 HE2 PHE 45 2HE PHE 45 6.998 1.364 -4.650 336 HZ PHE 45 HZ PHE 45 8.007 0.065 -6.486 337 H GLN 46 H GLN 46 3.191 -1.146 -3.267 338 HA GLN 46 HA GLN 46 3.082 -3.613 -4.869 339 1HB GLN 46 2HB GLN 46 5.016 -2.822 -2.698 340 2HB GLN 46 1HB GLN 46 4.993 -4.386 -3.501 341 1HG GLN 46 2HG GLN 46 5.698 -3.498 -5.525 342 2HG GLN 46 1HG GLN 46 5.271 -1.849 -5.061 343 1HE2 GLN 46 1HE2 GLN 46 7.167 -4.460 -3.658 344 2HE2 GLN 46 2HE2 GLN 46 8.583 -3.518 -3.335 345 H TYR 47 H TYR 47 3.470 -2.942 -1.389 346 HA TYR 47 HA TYR 47 2.286 -3.668 0.421 347 1HB TYR 47 2HB TYR 47 0.247 -4.827 -1.475 348 2HB TYR 47 1HB TYR 47 0.018 -4.377 0.211 349 HD1 TYR 47 1HD TYR 47 -0.014 -1.973 0.848 350 HD2 TYR 47 2HD TYR 47 0.043 -3.223 -3.216 351 HE1 TYR 47 1HE TYR 47 -0.766 0.264 0.156 352 HE2 TYR 47 2HE TYR 47 -0.709 -0.990 -3.921 353 HH TYR 47 HH TYR 47 -2.143 0.997 -2.497 354 H GLY 48 H GLY 48 2.566 -5.406 1.682 355 1HA GLY 48 2HA GLY 48 3.754 -7.751 0.452 356 2HA GLY 48 1HA GLY 48 3.654 -7.412 2.171 357 H PHE 49 H PHE 49 2.826 -9.646 0.116 358 HA PHE 49 HA PHE 49 0.086 -10.048 1.064 359 1HB PHE 49 2HB PHE 49 1.650 -11.025 -1.283 360 2HB PHE 49 1HB PHE 49 0.295 -11.983 -0.703 361 HD1 PHE 49 1HD PHE 49 -1.220 -11.741 -2.447 362 HD2 PHE 49 2HD PHE 49 0.573 -8.304 -0.713 363 HE1 PHE 49 1HE PHE 49 -2.799 -10.314 -3.674 364 HE2 PHE 49 2HE PHE 49 -0.985 -6.858 -1.935 365 HZ PHE 49 HZ PHE 49 -2.682 -7.861 -3.425 366 H THR 50 H THR 50 -0.472 -11.644 2.381 367 HA THR 50 HA THR 50 1.456 -13.803 2.915 368 HB THR 50 HB THR 50 1.413 -12.034 4.759 369 HG1 THR 50 1HG THR 50 1.586 -13.595 6.301 370 1HG2 THR 50 1HG2 THR 50 -0.372 -11.725 6.123 371 2HG2 THR 50 2HG2 THR 50 -1.048 -13.323 5.787 372 3HG2 THR 50 3HG2 THR 50 -1.213 -12.026 4.601 373 H PHE 51 H PHE 51 0.329 -15.699 4.026 374 HA PHE 51 HA PHE 51 -2.330 -15.992 2.825 375 1HB PHE 51 2HB PHE 51 -0.530 -18.270 3.622 376 2HB PHE 51 1HB PHE 51 -1.845 -18.268 2.454 377 HD1 PHE 51 1HD PHE 51 1.668 -17.868 2.924 378 HD2 PHE 51 2HD PHE 51 -1.572 -16.838 0.371 379 HE1 PHE 51 1HE PHE 51 3.266 -17.263 1.152 380 HE2 PHE 51 2HE PHE 51 0.015 -16.232 -1.409 381 HZ PHE 51 HZ PHE 51 2.440 -16.443 -1.019 382 H ASP 52 H ASP 52 -3.667 -15.360 4.342 383 HA ASP 52 HA ASP 52 -3.515 -16.620 6.999 384 1HB ASP 52 2HB ASP 52 -3.141 -14.292 7.266 385 2HB ASP 52 1HB ASP 52 -4.426 -13.879 6.144 386 H GLU 53 H GLU 53 -4.910 -18.248 7.023 387 HA GLU 53 HA GLU 53 -7.359 -18.239 5.529 388 1HB GLU 53 2HB GLU 53 -5.681 -20.182 6.652 389 2HB GLU 53 1HB GLU 53 -7.211 -20.338 7.503 390 1HG GLU 53 2HG GLU 53 -7.641 -20.045 4.678 391 2HG GLU 53 1HG GLU 53 -6.533 -21.367 5.016 392 H LYS 54 H LYS 54 -6.475 -17.422 8.788 393 HA LYS 54 HA LYS 54 -8.883 -17.956 10.080 394 1HB LYS 54 2HB LYS 54 -8.057 -15.763 11.447 395 2HB LYS 54 1HB LYS 54 -7.447 -17.382 11.713 396 1HG LYS 54 2HG LYS 54 -6.046 -15.898 9.626 397 2HG LYS 54 1HG LYS 54 -5.921 -15.195 11.231 398 1HD LYS 54 2HD LYS 54 -5.271 -18.047 10.487 399 2HD LYS 54 1HD LYS 54 -4.096 -16.766 10.784 400 1HE LYS 54 2HE LYS 54 -5.270 -16.549 13.071 401 2HE LYS 54 1HE LYS 54 -5.912 -18.153 12.715 402 1HZ LYS 54 1HZ LYS 54 -3.971 -18.545 13.915 403 2HZ LYS 54 2HZ LYS 54 -3.100 -17.344 13.098 404 3HZ LYS 54 3HZ LYS 54 -3.500 -18.784 12.308 405 H VAL 55 H VAL 55 -8.220 -14.552 10.100 406 HA VAL 55 HA VAL 55 -10.218 -13.810 8.197 407 HB VAL 55 HB VAL 55 -11.110 -12.830 10.821 408 1HG1 VAL 55 1HG1 VAL 55 -12.318 -13.726 8.255 409 2HG1 VAL 55 2HG1 VAL 55 -12.483 -12.194 9.110 410 3HG1 VAL 55 3HG1 VAL 55 -13.326 -13.627 9.699 411 1HG2 VAL 55 1HG2 VAL 55 -12.257 -14.784 11.537 412 2HG2 VAL 55 2HG2 VAL 55 -10.562 -15.198 11.350 413 3HG2 VAL 55 3HG2 VAL 55 -11.723 -15.685 10.120 414 H ASN 56 H ASN 56 -9.197 -12.582 11.331 415 HA ASN 56 HA ASN 56 -7.844 -10.823 11.911 416 1HB ASN 56 2HB ASN 56 -7.803 -9.868 9.055 417 2HB ASN 56 1HB ASN 56 -6.651 -9.530 10.340 418 1HD2 ASN 56 1HD2 ASN 56 -6.457 -12.227 11.279 419 2HD2 ASN 56 2HD2 ASN 56 -5.585 -13.120 10.079 420 H ASP 57 H ASP 57 -9.735 -10.194 12.998 421 HA ASP 57 HA ASP 57 -11.940 -8.901 12.007 422 1HB ASP 57 2HB ASP 57 -10.592 -8.112 14.586 423 2HB ASP 57 1HB ASP 57 -12.300 -8.001 14.204 424 H GLY 58 H GLY 58 -12.434 -6.917 11.256 425 1HA GLY 58 2HA GLY 58 -12.157 -4.701 10.641 426 2HA GLY 58 1HA GLY 58 -10.734 -4.633 11.685 427 H ASP 59 H ASP 59 -11.376 -6.876 9.053 428 HA ASP 59 HA ASP 59 -9.263 -5.636 7.442 429 1HB ASP 59 2HB ASP 59 -8.336 -7.592 8.762 430 2HB ASP 59 1HB ASP 59 -9.489 -8.621 7.916 431 H LEU 60 H LEU 60 -10.309 -5.048 5.611 432 HA LEU 60 HA LEU 60 -12.711 -6.212 4.732 433 1HB LEU 60 2HB LEU 60 -10.773 -4.785 2.924 434 2HB LEU 60 1HB LEU 60 -12.507 -4.913 2.748 435 HG LEU 60 HG LEU 60 -10.900 -3.041 4.376 436 1HD1 LEU 60 1HD1 LEU 60 -11.969 -2.073 2.560 437 2HD1 LEU 60 2HD1 LEU 60 -13.049 -1.698 3.906 438 3HD1 LEU 60 3HD1 LEU 60 -13.446 -3.012 2.800 439 1HD2 LEU 60 1HD2 LEU 60 -13.065 -2.712 5.802 440 2HD2 LEU 60 2HD2 LEU 60 -11.881 -3.934 6.274 441 3HD2 LEU 60 3HD2 LEU 60 -13.347 -4.409 5.419 442 H THR 61 H THR 61 -13.170 -7.810 3.235 443 HA THR 61 HA THR 61 -10.834 -9.321 2.286 444 HB THR 61 HB THR 61 -11.759 -11.346 2.909 445 HG1 THR 61 1HG THR 61 -14.272 -10.068 3.162 446 1HG2 THR 61 1HG2 THR 61 -12.094 -11.265 5.153 447 2HG2 THR 61 2HG2 THR 61 -13.136 -9.846 5.063 448 3HG2 THR 61 3HG2 THR 61 -11.385 -9.669 4.887 449 H ILE 62 H ILE 62 -10.689 -9.715 0.248 450 HA ILE 62 HA ILE 62 -13.059 -9.539 -1.499 451 HB ILE 62 HB ILE 62 -11.109 -9.070 -3.243 452 1HG1 ILE 62 2HG1 ILE 62 -9.406 -9.227 -1.337 453 2HG1 ILE 62 1HG1 ILE 62 -9.268 -7.848 -2.417 454 1HG2 ILE 62 1HG2 ILE 62 -12.057 -6.826 -1.494 455 2HG2 ILE 62 2HG2 ILE 62 -13.123 -7.689 -2.596 456 3HG2 ILE 62 3HG2 ILE 62 -11.734 -6.801 -3.228 457 1HD1 ILE 62 1HD1 ILE 62 -9.093 -6.695 -0.506 458 2HD1 ILE 62 2HD1 ILE 62 -9.873 -7.954 0.449 459 3HD1 ILE 62 3HD1 ILE 62 -10.852 -6.815 -0.474 460 H GLU 63 H GLU 63 -13.496 -11.448 -2.529 461 HA GLU 63 HA GLU 63 -12.005 -13.764 -2.066 462 1HB GLU 63 2HB GLU 63 -14.429 -13.546 -2.821 463 2HB GLU 63 1HB GLU 63 -13.798 -13.400 -4.449 464 1HG GLU 63 2HG GLU 63 -12.840 -15.585 -4.344 465 2HG GLU 63 1HG GLU 63 -13.233 -15.726 -2.631 466 H LYS 64 H LYS 64 -10.776 -15.102 -3.497 467 HA LYS 64 HA LYS 64 -9.361 -13.563 -5.569 468 1HB LYS 64 2HB LYS 64 -8.323 -15.794 -3.811 469 2HB LYS 64 1HB LYS 64 -7.416 -15.048 -5.127 470 1HG LYS 64 2HG LYS 64 -7.664 -12.863 -3.941 471 2HG LYS 64 1HG LYS 64 -8.362 -13.741 -2.589 472 1HD LYS 64 2HD LYS 64 -6.129 -13.509 -1.985 473 2HD LYS 64 1HD LYS 64 -6.189 -15.134 -2.655 474 1HE LYS 64 2HE LYS 64 -4.464 -14.498 -3.916 475 2HE LYS 64 1HE LYS 64 -5.647 -13.603 -4.861 476 1HZ LYS 64 1HZ LYS 64 -4.892 -11.653 -4.102 477 2HZ LYS 64 2HZ LYS 64 -3.495 -12.514 -3.693 478 3HZ LYS 64 3HZ LYS 64 -4.676 -12.216 -2.521 479 H SER 65 H SER 65 -8.275 -15.041 -7.206 480 HA SER 65 HA SER 65 -10.137 -16.277 -8.778 481 1HB SER 65 2HB SER 65 -7.453 -15.725 -8.970 482 2HB SER 65 1HB SER 65 -7.483 -17.491 -9.029 483 HG SER 65 HG SER 65 -8.799 -15.655 -10.738 484 H GLY 66 H GLY 66 -8.044 -17.784 -6.349 485 1HA GLY 66 2HA GLY 66 -9.746 -20.194 -6.555 486 2HA GLY 66 1HA GLY 66 -7.994 -20.319 -6.465 487 H VAL 67 H VAL 67 -9.004 -17.750 -4.576 488 HA VAL 67 HA VAL 67 -9.663 -19.301 -2.216 489 HB VAL 67 HB VAL 67 -7.785 -18.617 -0.878 490 1HG1 VAL 67 1HG1 VAL 67 -7.566 -20.665 -2.256 491 2HG1 VAL 67 2HG1 VAL 67 -6.018 -19.901 -1.884 492 3HG1 VAL 67 3HG1 VAL 67 -6.739 -19.705 -3.483 493 1HG2 VAL 67 1HG2 VAL 67 -7.499 -16.443 -2.249 494 2HG2 VAL 67 2HG2 VAL 67 -6.421 -17.411 -3.250 495 3HG2 VAL 67 3HG2 VAL 67 -6.076 -17.198 -1.535 496 H GLN 68 H GLN 68 -8.648 -17.012 -0.514 497 HA GLN 68 HA GLN 68 -10.506 -14.910 -1.373 498 1HB GLN 68 2HB GLN 68 -10.749 -16.636 0.937 499 2HB GLN 68 1HB GLN 68 -10.625 -14.953 1.429 500 1HG GLN 68 2HG GLN 68 -12.471 -15.463 -0.797 501 2HG GLN 68 1HG GLN 68 -12.927 -16.192 0.747 502 1HE2 GLN 68 1HE2 GLN 68 -11.152 -13.200 0.293 503 2HE2 GLN 68 2HE2 GLN 68 -12.358 -12.165 0.961 504 H LEU 69 H LEU 69 -9.801 -12.859 -1.064 505 HA LEU 69 HA LEU 69 -7.145 -12.538 0.148 506 1HB LEU 69 2HB LEU 69 -7.168 -11.840 -2.126 507 2HB LEU 69 1HB LEU 69 -8.640 -10.925 -1.906 508 HG LEU 69 HG LEU 69 -7.540 -9.160 -0.847 509 1HD1 LEU 69 1HD1 LEU 69 -6.082 -9.636 0.766 510 2HD1 LEU 69 2HD1 LEU 69 -4.873 -9.849 -0.499 511 3HD1 LEU 69 3HD1 LEU 69 -5.770 -11.236 0.098 512 1HD2 LEU 69 1HD2 LEU 69 -5.771 -8.541 -2.338 513 2HD2 LEU 69 2HD2 LEU 69 -6.989 -9.429 -3.257 514 3HD2 LEU 69 3HD2 LEU 69 -5.495 -10.230 -2.764 515 H VAL 70 H VAL 70 -6.824 -11.163 1.842 516 HA VAL 70 HA VAL 70 -9.015 -9.428 2.682 517 HB VAL 70 HB VAL 70 -9.428 -10.376 4.672 518 1HG1 VAL 70 1HG1 VAL 70 -8.293 -12.574 3.009 519 2HG1 VAL 70 2HG1 VAL 70 -9.963 -12.264 3.486 520 3HG1 VAL 70 3HG1 VAL 70 -8.814 -12.910 4.659 521 1HG2 VAL 70 1HG2 VAL 70 -7.142 -9.878 5.521 522 2HG2 VAL 70 2HG2 VAL 70 -6.622 -11.446 4.906 523 3HG2 VAL 70 3HG2 VAL 70 -7.850 -11.352 6.163 524 H ILE 71 H ILE 71 -8.198 -7.433 2.849 525 HA ILE 71 HA ILE 71 -5.393 -7.206 3.714 526 HB ILE 71 HB ILE 71 -5.039 -5.350 2.369 527 1HG1 ILE 71 2HG1 ILE 71 -7.007 -4.047 2.966 528 2HG1 ILE 71 1HG1 ILE 71 -6.821 -4.095 1.218 529 1HG2 ILE 71 1HG2 ILE 71 -5.724 -7.657 1.224 530 2HG2 ILE 71 2HG2 ILE 71 -5.223 -6.242 0.297 531 3HG2 ILE 71 3HG2 ILE 71 -6.938 -6.612 0.485 532 1HD1 ILE 71 1HD1 ILE 71 -9.060 -4.468 1.418 533 2HD1 ILE 71 2HD1 ILE 71 -8.890 -5.341 2.940 534 3HD1 ILE 71 3HD1 ILE 71 -8.461 -6.127 1.420 535 H ASP 72 H ASP 72 -4.782 -5.316 4.903 536 HA ASP 72 HA ASP 72 -6.670 -4.798 7.032 537 1HB ASP 72 2HB ASP 72 -4.376 -5.294 7.615 538 2HB ASP 72 1HB ASP 72 -3.804 -3.958 6.619 539 HA PRO 73 HA PRO 73 -8.482 -0.948 5.898 540 1HB PRO 73 2HB PRO 73 -7.546 -0.108 8.614 541 2HB PRO 73 1HB PRO 73 -9.124 0.109 7.852 542 1HG PRO 73 2HG PRO 73 -8.767 -1.810 9.648 543 2HG PRO 73 1HG PRO 73 -9.743 -2.107 8.197 544 1HD PRO 73 2HD PRO 73 -6.997 -3.037 8.855 545 2HD PRO 73 1HD PRO 73 -8.253 -3.828 7.888 546 H MET 74 H MET 74 -5.303 -0.800 7.492 547 HA MET 74 HA MET 74 -4.633 1.795 6.792 548 1HB MET 74 2HB MET 74 -3.047 1.027 8.218 549 2HB MET 74 1HB MET 74 -3.194 -0.624 7.647 550 1HG MET 74 2HG MET 74 -1.483 -0.425 6.218 551 2HG MET 74 1HG MET 74 -1.865 1.241 5.793 552 1HE MET 74 1HE MET 74 -1.458 3.235 7.328 553 2HE MET 74 2HE MET 74 -0.287 3.292 8.646 554 3HE MET 74 3HE MET 74 -1.873 2.567 8.906 555 H SER 75 H SER 75 -4.227 -1.219 5.017 556 HA SER 75 HA SER 75 -3.069 0.086 2.735 557 1HB SER 75 2HB SER 75 -4.347 -2.617 2.556 558 2HB SER 75 1HB SER 75 -2.866 -2.028 1.801 559 HG SER 75 HG SER 75 -1.879 -2.947 3.401 560 H LEU 76 H LEU 76 -6.258 -0.850 3.817 561 HA LEU 76 HA LEU 76 -7.783 -0.928 1.586 562 1HB LEU 76 2HB LEU 76 -9.164 -1.191 3.313 563 2HB LEU 76 1HB LEU 76 -8.217 -0.150 4.346 564 HG LEU 76 HG LEU 76 -10.065 0.992 2.268 565 1HD1 LEU 76 1HD1 LEU 76 -11.482 -0.392 3.556 566 2HD1 LEU 76 2HD1 LEU 76 -11.659 1.242 4.199 567 3HD1 LEU 76 3HD1 LEU 76 -10.664 0.062 5.049 568 1HD2 LEU 76 1HD2 LEU 76 -9.997 2.598 4.507 569 2HD2 LEU 76 2HD2 LEU 76 -9.074 2.848 3.025 570 3HD2 LEU 76 3HD2 LEU 76 -8.348 1.991 4.384 571 H GLN 77 H GLN 77 -6.652 2.034 3.146 572 HA GLN 77 HA GLN 77 -7.901 3.663 1.151 573 1HB GLN 77 2HB GLN 77 -7.627 5.385 2.556 574 2HB GLN 77 1HB GLN 77 -7.259 4.138 3.733 575 1HG GLN 77 2HG GLN 77 -4.870 4.869 2.317 576 2HG GLN 77 1HG GLN 77 -5.667 6.307 2.950 577 1HE2 GLN 77 1HE2 GLN 77 -5.470 3.004 4.166 578 2HE2 GLN 77 2HE2 GLN 77 -4.748 3.414 5.678 579 H TYR 78 H TYR 78 -4.845 2.139 1.558 580 HA TYR 78 HA TYR 78 -3.436 3.902 -0.224 581 1HB TYR 78 2HB TYR 78 -2.750 1.265 1.058 582 2HB TYR 78 1HB TYR 78 -1.689 2.034 -0.120 583 HD1 TYR 78 1HD TYR 78 0.148 2.946 0.913 584 HD2 TYR 78 2HD TYR 78 -3.640 3.299 2.813 585 HE1 TYR 78 1HE TYR 78 1.183 4.251 2.719 586 HE2 TYR 78 2HE TYR 78 -2.616 4.600 4.627 587 HH TYR 78 HH TYR 78 -0.521 6.088 4.871 588 H LEU 79 H LEU 79 -4.907 0.709 -0.382 589 HA LEU 79 HA LEU 79 -4.164 0.436 -3.171 590 1HB LEU 79 2HB LEU 79 -4.948 -1.823 -3.064 591 2HB LEU 79 1HB LEU 79 -3.868 -1.480 -1.742 592 HG LEU 79 HG LEU 79 -6.210 -2.850 -1.550 593 1HD1 LEU 79 1HD1 LEU 79 -4.834 -3.193 0.191 594 2HD1 LEU 79 2HD1 LEU 79 -5.930 -2.055 0.976 595 3HD1 LEU 79 3HD1 LEU 79 -4.391 -1.490 0.321 596 1HD2 LEU 79 1HD2 LEU 79 -7.758 -1.493 -0.229 597 2HD2 LEU 79 2HD2 LEU 79 -7.622 -0.909 -1.883 598 3HD2 LEU 79 3HD2 LEU 79 -6.793 -0.062 -0.576 599 H ILE 80 H ILE 80 -6.856 1.568 -1.479 600 HA ILE 80 HA ILE 80 -9.173 1.038 -2.371 601 HB ILE 80 HB ILE 80 -9.840 3.305 -2.788 602 1HG1 ILE 80 2HG1 ILE 80 -8.188 4.041 -4.353 603 2HG1 ILE 80 1HG1 ILE 80 -8.114 5.116 -2.960 604 1HG2 ILE 80 1HG2 ILE 80 -9.408 2.797 -0.500 605 2HG2 ILE 80 2HG2 ILE 80 -8.840 4.434 -0.825 606 3HG2 ILE 80 3HG2 ILE 80 -7.687 3.109 -0.709 607 1HD1 ILE 80 1HD1 ILE 80 -5.893 4.694 -3.525 608 2HD1 ILE 80 2HD1 ILE 80 -6.193 2.974 -3.782 609 3HD1 ILE 80 3HD1 ILE 80 -6.207 3.637 -2.148 610 H GLY 81 H GLY 81 -10.130 0.252 -4.020 611 1HA GLY 81 2HA GLY 81 -10.416 -0.584 -6.154 612 2HA GLY 81 1HA GLY 81 -10.713 1.125 -6.428 613 H GLY 82 H GLY 82 -7.503 -0.221 -5.755 614 1HA GLY 82 2HA GLY 82 -6.583 0.881 -8.285 615 2HA GLY 82 1HA GLY 82 -5.575 0.143 -7.042 616 H THR 83 H THR 83 -4.452 -1.161 -8.536 617 HA THR 83 HA THR 83 -5.878 -3.589 -9.242 618 HB THR 83 HB THR 83 -4.583 -1.820 -11.309 619 HG1 THR 83 1HG THR 83 -6.850 -1.600 -10.873 620 1HG2 THR 83 1HG2 THR 83 -3.836 -3.623 -12.358 621 2HG2 THR 83 2HG2 THR 83 -5.527 -4.050 -12.630 622 3HG2 THR 83 3HG2 THR 83 -4.662 -4.708 -11.235 623 H VAL 84 H VAL 84 -4.632 -5.328 -8.897 624 HA VAL 84 HA VAL 84 -1.719 -4.922 -8.781 625 HB VAL 84 HB VAL 84 -1.663 -5.552 -6.661 626 1HG1 VAL 84 1HG1 VAL 84 -4.024 -4.684 -6.601 627 2HG1 VAL 84 2HG1 VAL 84 -3.553 -5.770 -5.299 628 3HG1 VAL 84 3HG1 VAL 84 -4.544 -6.368 -6.630 629 1HG2 VAL 84 1HG2 VAL 84 -2.344 -7.877 -6.000 630 2HG2 VAL 84 2HG2 VAL 84 -1.205 -7.761 -7.341 631 3HG2 VAL 84 3HG2 VAL 84 -2.904 -8.094 -7.658 632 H ASP 85 H ASP 85 -0.399 -6.678 -9.301 633 HA ASP 85 HA ASP 85 -1.595 -9.063 -10.392 634 1HB ASP 85 2HB ASP 85 -0.126 -8.710 -12.534 635 2HB ASP 85 1HB ASP 85 -1.721 -7.964 -12.430 636 H TYR 86 H TYR 86 -0.197 -10.801 -10.415 637 HA TYR 86 HA TYR 86 2.450 -10.262 -9.248 638 1HB TYR 86 2HB TYR 86 0.375 -11.919 -8.363 639 2HB TYR 86 1HB TYR 86 1.595 -13.011 -9.004 640 HD1 TYR 86 1HD TYR 86 0.525 -11.349 -6.144 641 HD2 TYR 86 2HD TYR 86 4.078 -12.360 -8.245 642 HE1 TYR 86 1HE TYR 86 1.810 -11.123 -4.058 643 HE2 TYR 86 2HE TYR 86 5.378 -12.142 -6.173 644 HH TYR 86 HH TYR 86 4.186 -10.657 -3.403 645 H THR 87 H THR 87 4.242 -11.341 -10.031 646 HA THR 87 HA THR 87 3.935 -13.122 -12.299 647 HB THR 87 HB THR 87 5.475 -10.535 -12.506 648 HG1 THR 87 1HG THR 87 3.886 -9.850 -13.764 649 1HG2 THR 87 1HG2 THR 87 6.230 -11.122 -14.591 650 2HG2 THR 87 2HG2 THR 87 5.002 -12.370 -14.802 651 3HG2 THR 87 3HG2 THR 87 6.367 -12.650 -13.720 652 H GLU 88 H GLU 88 4.870 -14.694 -10.981 653 HA GLU 88 HA GLU 88 7.566 -14.202 -9.970 654 1HB GLU 88 2HB GLU 88 6.013 -16.771 -9.706 655 2HB GLU 88 1HB GLU 88 7.338 -16.191 -8.706 656 1HG GLU 88 2HG GLU 88 5.997 -14.619 -7.628 657 2HG GLU 88 1HG GLU 88 4.732 -14.728 -8.850 658 H GLY 89 H GLY 89 9.205 -15.930 -10.305 659 1HA GLY 89 2HA GLY 89 9.955 -17.777 -11.712 660 2HA GLY 89 1HA GLY 89 9.000 -17.080 -13.018 661 H LEU 90 H LEU 90 11.922 -17.736 -12.740 662 HA LEU 90 HA LEU 90 13.901 -16.904 -13.472 663 1HB LEU 90 2HB LEU 90 12.887 -16.115 -15.419 664 2HB LEU 90 1HB LEU 90 11.982 -14.875 -14.576 665 HG LEU 90 HG LEU 90 14.142 -13.669 -14.175 666 1HD1 LEU 90 1HD1 LEU 90 15.891 -15.120 -14.341 667 2HD1 LEU 90 2HD1 LEU 90 15.908 -14.457 -15.974 668 3HD1 LEU 90 3HD1 LEU 90 15.161 -16.024 -15.667 669 1HD2 LEU 90 1HD2 LEU 90 14.336 -12.824 -16.462 670 2HD2 LEU 90 2HD2 LEU 90 12.648 -13.030 -15.993 671 3HD2 LEU 90 3HD2 LEU 90 13.419 -14.210 -17.053 672 H GLU 91 H GLU 91 12.339 -13.791 -12.718 673 HA GLU 91 HA GLU 91 14.570 -12.985 -11.116 674 1HB GLU 91 2HB GLU 91 11.863 -11.718 -11.568 675 2HB GLU 91 1HB GLU 91 13.171 -10.965 -10.657 676 1HG GLU 91 2HG GLU 91 13.723 -11.879 -13.429 677 2HG GLU 91 1HG GLU 91 12.756 -10.425 -13.199 678 H GLY 92 H GLY 92 11.912 -14.936 -10.527 679 1HA GLY 92 2HA GLY 92 11.865 -16.037 -8.346 680 2HA GLY 92 1HA GLY 92 12.168 -14.462 -7.619 681 H SER 93 H SER 93 10.480 -13.059 -7.288 682 HA SER 93 HA SER 93 7.828 -13.702 -8.257 683 1HB SER 93 2HB SER 93 6.861 -13.658 -5.958 684 2HB SER 93 1HB SER 93 7.911 -15.047 -6.240 685 HG SER 93 HG SER 93 8.401 -12.729 -4.714 686 H ARG 94 H ARG 94 7.927 -11.700 -9.326 687 HA ARG 94 HA ARG 94 8.366 -9.307 -7.744 688 1HB ARG 94 2HB ARG 94 8.378 -8.094 -9.778 689 2HB ARG 94 1HB ARG 94 9.258 -9.584 -10.086 690 1HG ARG 94 2HG ARG 94 6.557 -10.086 -10.725 691 2HG ARG 94 1HG ARG 94 6.981 -8.523 -11.435 692 1HD ARG 94 2HD ARG 94 8.860 -10.817 -11.724 693 2HD ARG 94 1HD ARG 94 7.417 -10.760 -12.737 694 HE ARG 94 HE ARG 94 9.771 -9.248 -13.088 695 1HH1 ARG 94 1HH1 ARG 94 6.300 -8.923 -13.261 696 2HH1 ARG 94 2HH1 ARG 94 6.352 -7.661 -14.444 697 1HH2 ARG 94 1HH2 ARG 94 9.840 -7.587 -14.645 698 2HH2 ARG 94 2HH2 ARG 94 8.361 -6.903 -15.231 699 H PHE 95 H PHE 95 6.847 -7.795 -7.216 700 HA PHE 95 HA PHE 95 4.052 -8.453 -7.868 701 1HB PHE 95 2HB PHE 95 4.804 -8.925 -5.459 702 2HB PHE 95 1HB PHE 95 4.897 -7.177 -5.272 703 HD1 PHE 95 1HD PHE 95 2.410 -9.183 -7.152 704 HD2 PHE 95 2HD PHE 95 3.160 -6.676 -3.794 705 HE1 PHE 95 1HE PHE 95 0.004 -9.116 -6.670 706 HE2 PHE 95 2HE PHE 95 0.752 -6.611 -3.302 707 HZ PHE 95 HZ PHE 95 -0.827 -7.824 -4.751 708 H THR 96 H THR 96 2.752 -6.796 -8.515 709 HA THR 96 HA THR 96 3.707 -4.054 -8.172 710 HB THR 96 HB THR 96 2.762 -4.661 -10.906 711 HG1 THR 96 1HG THR 96 4.594 -5.624 -11.547 712 1HG2 THR 96 1HG2 THR 96 3.402 -2.477 -10.763 713 2HG2 THR 96 2HG2 THR 96 4.893 -3.224 -11.337 714 3HG2 THR 96 3HG2 THR 96 4.711 -2.817 -9.629 715 H VAL 97 H VAL 97 2.132 -2.753 -7.618 716 HA VAL 97 HA VAL 97 -0.634 -3.422 -8.403 717 HB VAL 97 HB VAL 97 -0.139 -1.891 -5.886 718 1HG1 VAL 97 1HG1 VAL 97 -2.364 -2.996 -7.223 719 2HG1 VAL 97 2HG1 VAL 97 -2.332 -2.143 -5.681 720 3HG1 VAL 97 3HG1 VAL 97 -2.155 -3.896 -5.724 721 1HG2 VAL 97 1HG2 VAL 97 -0.455 -4.527 -5.051 722 2HG2 VAL 97 2HG2 VAL 97 0.999 -3.538 -4.916 723 3HG2 VAL 97 3HG2 VAL 97 0.779 -4.597 -6.305 724 H ASN 98 H ASN 98 -2.098 -1.509 -8.463 725 HA ASN 98 HA ASN 98 -0.698 1.033 -8.858 726 1HB ASN 98 2HB ASN 98 -2.573 -0.163 -10.908 727 2HB ASN 98 1HB ASN 98 -1.794 1.418 -11.009 728 1HD2 ASN 98 1HD2 ASN 98 -1.659 -1.577 -12.195 729 2HD2 ASN 98 2HD2 ASN 98 0.027 -1.708 -12.535 730 H ASN 99 H ASN 99 -1.774 2.736 -8.095 731 HA ASN 99 HA ASN 99 -4.671 2.703 -7.887 732 1HB ASN 99 2HB ASN 99 -3.498 3.605 -5.359 733 2HB ASN 99 1HB ASN 99 -4.877 2.547 -5.647 734 1HD2 ASN 99 1HD2 ASN 99 -1.860 2.718 -4.366 735 2HD2 ASN 99 2HD2 ASN 99 -1.461 1.038 -4.350 736 HA PRO 100 HA PRO 100 -4.422 7.027 -8.622 737 1HB PRO 100 2HB PRO 100 -5.990 8.155 -6.664 738 2HB PRO 100 1HB PRO 100 -6.618 7.383 -8.128 739 1HG PRO 100 2HG PRO 100 -6.352 6.276 -5.362 740 2HG PRO 100 1HG PRO 100 -7.677 6.085 -6.525 741 1HD PRO 100 2HD PRO 100 -5.864 4.146 -6.115 742 2HD PRO 100 1HD PRO 100 -6.557 4.449 -7.721 743 H ASN 101 H ASN 101 -4.422 6.665 -5.071 744 HA ASN 101 HA ASN 101 -2.890 8.924 -4.526 745 1HB ASN 101 2HB ASN 101 -2.787 8.188 -2.320 746 2HB ASN 101 1HB ASN 101 -4.231 7.379 -2.926 747 1HD2 ASN 101 1HD2 ASN 101 -3.196 5.275 -4.300 748 2HD2 ASN 101 2HD2 ASN 101 -2.352 4.220 -3.219 749 H ALA 102 H ALA 102 -1.919 5.842 -5.731 750 HA ALA 102 HA ALA 102 0.843 6.088 -4.963 751 1HB ALA 102 1HB ALA 102 1.056 3.959 -5.649 752 2HB ALA 102 2HB ALA 102 0.186 4.250 -7.155 753 3HB ALA 102 3HB ALA 102 -0.708 3.975 -5.661 754 H THR 103 H THR 103 -0.575 5.756 -8.209 755 HA THR 103 HA THR 103 1.570 7.457 -9.252 756 HB THR 103 HB THR 103 0.826 6.604 -11.477 757 HG1 THR 103 1HG THR 103 -0.895 5.414 -11.647 758 1HG2 THR 103 1HG2 THR 103 2.598 5.350 -10.695 759 2HG2 THR 103 2HG2 THR 103 1.359 4.131 -10.997 760 3HG2 THR 103 3HG2 THR 103 1.669 4.685 -9.351 761 H SER 104 H SER 104 1.209 9.460 -9.963 762 HA SER 104 HA SER 104 -1.141 10.360 -11.205 763 1HB SER 104 2HB SER 104 -2.162 11.727 -9.506 764 2HB SER 104 1HB SER 104 -2.021 10.090 -8.864 765 HG SER 104 HG SER 104 -0.032 10.843 -7.853 766 H THR 105 H THR 105 1.497 11.378 -9.057 767 HA THR 105 HA THR 105 2.562 13.106 -11.089 768 HB THR 105 HB THR 105 2.504 15.034 -9.232 769 HG1 THR 105 1HG THR 105 0.041 13.675 -8.881 770 1HG2 THR 105 1HG2 THR 105 0.884 16.153 -10.453 771 2HG2 THR 105 2HG2 THR 105 0.037 14.667 -10.878 772 3HG2 THR 105 3HG2 THR 105 1.592 15.041 -11.623 773 H CYS 106 H CYS 106 4.614 14.087 -10.440 774 HA CYS 106 HA CYS 106 5.824 12.911 -8.045 775 1HB CYS 106 2HB CYS 106 6.271 11.853 -10.559 776 2HB CYS 106 1HB CYS 106 7.648 12.926 -10.330 777 HG CYS 106 HG CYS 106 7.093 10.353 -8.738 778 H GLY 107 H GLY 107 4.927 15.599 -8.676 779 1HA GLY 107 2HA GLY 107 6.038 17.510 -7.661 780 2HA GLY 107 1HA GLY 107 7.530 16.976 -8.431 781 H CYS 108 H CYS 108 5.717 16.374 -10.888 782 HA CYS 108 HA CYS 108 5.270 19.128 -11.778 783 1HB CYS 108 2HB CYS 108 7.590 18.034 -12.441 784 2HB CYS 108 1HB CYS 108 6.610 17.254 -13.679 785 HG CYS 108 HG CYS 108 5.961 20.035 -14.038 786 H GLY 109 H GLY 109 3.981 19.257 -13.766 787 1HA GLY 109 2HA GLY 109 2.548 16.841 -14.539 788 2HA GLY 109 1HA GLY 109 1.588 18.090 -13.750 789 H SER 110 H SER 110 0.330 18.791 -15.385 790 HA SER 110 HA SER 110 -0.290 19.902 -17.266 791 1HB SER 110 2HB SER 110 2.591 20.806 -17.136 792 2HB SER 110 1HB SER 110 1.441 21.414 -18.326 793 HG SER 110 HG SER 110 1.735 22.606 -16.236 794 H SER 111 H SER 111 3.039 19.238 -18.292 795 HA SER 111 HA SER 111 2.417 16.934 -19.815 796 1HB SER 111 2HB SER 111 1.419 19.124 -21.044 797 2HB SER 111 1HB SER 111 3.054 19.129 -21.703 798 HG SER 111 HG SER 111 2.608 16.820 -22.174 799 H PHE 112 H PHE 112 4.264 15.853 -19.817 800 HA PHE 112 HA PHE 112 6.770 17.175 -19.336 801 1HB PHE 112 2HB PHE 112 6.369 14.273 -20.058 802 2HB PHE 112 1HB PHE 112 7.719 14.988 -19.185 803 HD1 PHE 112 1HD PHE 112 5.180 12.868 -18.695 804 HD2 PHE 112 2HD PHE 112 6.594 16.558 -17.114 805 HE1 PHE 112 1HE PHE 112 4.049 12.384 -16.565 806 HE2 PHE 112 2HE PHE 112 5.466 16.080 -14.980 807 HZ PHE 112 HZ PHE 112 4.191 13.991 -14.703 808 H SER 113 H SER 113 8.590 15.747 -20.761 809 HA SER 113 HA SER 113 8.215 16.829 -23.449 810 1HB SER 113 2HB SER 113 10.757 15.667 -22.309 811 2HB SER 113 1HB SER 113 10.582 16.767 -23.676 812 HG SER 113 HG SER 113 11.268 17.871 -21.808 813 H ILE 114 H ILE 114 9.995 15.245 -24.834 814 HA ILE 114 HA ILE 114 8.460 13.211 -25.825 815 HB ILE 114 HB ILE 114 10.411 12.346 -26.923 816 1HG1 ILE 114 2HG1 ILE 114 11.894 12.329 -24.910 817 2HG1 ILE 114 1HG1 ILE 114 12.672 12.969 -26.353 818 1HG2 ILE 114 1HG2 ILE 114 11.472 14.857 -27.345 819 2HG2 ILE 114 2HG2 ILE 114 9.824 15.181 -26.810 820 3HG2 ILE 114 3HG2 ILE 114 10.110 14.139 -28.203 821 1HD1 ILE 114 1HD1 ILE 114 12.032 15.270 -25.453 822 2HD1 ILE 114 2HD1 ILE 114 13.335 14.398 -24.644 823 3HD1 ILE 114 3HD1 ILE 114 11.724 14.440 -23.928
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