NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21495 | 2hn8 | 7258 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 1 HT1 VAL 1 -27.086 2.084 1.171 2 2H VAL 1 HT2 VAL 1 -26.599 2.782 -0.320 3 3H VAL 1 HT3 VAL 1 -25.588 2.912 1.061 4 HA VAL 1 HA VAL 1 -26.124 0.629 -0.667 5 HB VAL 1 HB VAL 1 -23.531 1.247 0.679 6 1HG1 VAL 1 HG11 VAL 1 -22.946 0.601 -1.859 7 2HG1 VAL 1 HG12 VAL 1 -24.496 -0.222 -1.689 8 3HG1 VAL 1 HG13 VAL 1 -23.175 -0.592 -0.581 9 1HG2 VAL 1 HG21 VAL 1 -23.696 3.377 -0.094 10 2HG2 VAL 1 HG22 VAL 1 -24.873 2.952 -1.337 11 3HG2 VAL 1 HG23 VAL 1 -23.161 2.609 -1.589 12 H MET 2 HN MET 2 -25.024 -1.420 0.128 13 HA MET 2 HA MET 2 -26.264 -2.277 2.479 14 1HB MET 2 HB2 MET 2 -24.504 -3.388 0.416 15 2HB MET 2 HB1 MET 2 -24.343 -4.143 1.983 16 1HG MET 2 HG2 MET 2 -27.027 -3.727 0.762 17 2HG MET 2 HG1 MET 2 -26.025 -5.099 0.293 18 1HE MET 2 HE1 MET 2 -24.987 -6.552 3.419 19 2HE MET 2 HE2 MET 2 -25.046 -6.643 1.659 20 3HE MET 2 HE3 MET 2 -26.169 -7.596 2.629 21 HA PRO 3 HA PRO 3 -23.527 -0.407 5.525 22 1HB PRO 3 HB2 PRO 3 -24.251 -2.450 7.366 23 2HB PRO 3 HB1 PRO 3 -24.864 -0.805 7.286 24 1HG PRO 3 HG2 PRO 3 -26.027 -3.306 6.223 25 2HG PRO 3 HG1 PRO 3 -26.845 -1.835 6.783 26 1HD PRO 3 HD2 PRO 3 -26.693 -2.432 4.188 27 2HD PRO 3 HD1 PRO 3 -26.540 -0.751 4.747 28 H LYS 4 HN LYS 4 -23.592 -3.740 4.663 29 HA LYS 4 HA LYS 4 -20.998 -4.267 5.905 30 1HB LYS 4 HB2 LYS 4 -22.919 -6.075 4.440 31 2HB LYS 4 HB1 LYS 4 -21.422 -6.606 5.196 32 1HG LYS 4 HG2 LYS 4 -22.249 -6.364 7.326 33 2HG LYS 4 HG1 LYS 4 -23.450 -5.166 6.837 34 1HD LYS 4 HD2 LYS 4 -24.637 -7.162 7.331 35 2HD LYS 4 HD1 LYS 4 -24.611 -7.009 5.573 36 1HE LYS 4 HE2 LYS 4 -22.372 -8.513 6.757 37 2HE LYS 4 HE1 LYS 4 -23.960 -9.265 6.910 38 1HZ LYS 4 HZ1 LYS 4 -23.461 -10.048 4.879 39 2HZ LYS 4 HZ2 LYS 4 -22.338 -8.828 4.546 40 3HZ LYS 4 HZ3 LYS 4 -23.991 -8.531 4.349 41 H GLN 5 HN GLN 5 -22.296 -3.498 2.817 42 HA GLN 5 HA GLN 5 -20.034 -4.626 1.427 43 1HB GLN 5 HB2 GLN 5 -21.557 -4.794 -0.217 44 2HB GLN 5 HB1 GLN 5 -22.702 -3.952 0.802 45 1HG GLN 5 HG2 GLN 5 -22.720 -2.661 -1.054 46 2HG GLN 5 HG1 GLN 5 -21.553 -1.810 -0.078 47 1HE2 GLN 5 HE21 GLN 5 -19.449 -3.705 -0.620 48 2HE2 GLN 5 HE22 GLN 5 -19.032 -3.486 -2.261 49 H ILE 6 HN ILE 6 -21.104 -1.575 2.635 50 HA ILE 6 HA ILE 6 -19.080 -0.152 1.159 51 HB ILE 6 HB ILE 6 -19.838 1.757 2.706 52 1HG1 ILE 6 HG12 ILE 6 -22.142 1.645 3.434 53 2HG1 ILE 6 HG11 ILE 6 -22.270 -0.010 2.910 54 1HG2 ILE 6 HG21 ILE 6 -20.150 1.594 0.310 55 2HG2 ILE 6 HG22 ILE 6 -21.542 2.347 1.096 56 3HG2 ILE 6 HG23 ILE 6 -21.626 0.663 0.573 57 1HD1 ILE 6 HD11 ILE 6 -21.058 -0.785 4.677 58 2HD1 ILE 6 HD12 ILE 6 -21.825 0.615 5.415 59 3HD1 ILE 6 HD13 ILE 6 -20.152 0.710 4.859 60 H VAL 7 HN VAL 7 -19.601 -1.616 4.241 61 HA VAL 7 HA VAL 7 -17.448 -0.348 5.631 62 HB VAL 7 HB VAL 7 -19.604 -1.602 6.532 63 1HG1 VAL 7 HG11 VAL 7 -17.579 -3.835 6.508 64 2HG1 VAL 7 HG12 VAL 7 -19.059 -3.777 5.551 65 3HG1 VAL 7 HG13 VAL 7 -19.149 -3.859 7.310 66 1HG2 VAL 7 HG21 VAL 7 -18.683 -1.511 8.620 67 2HG2 VAL 7 HG22 VAL 7 -17.623 -0.447 7.698 68 3HG2 VAL 7 HG23 VAL 7 -17.114 -2.093 8.070 69 H TYR 8 HN TYR 8 -18.122 -3.282 3.893 70 HA TYR 8 HA TYR 8 -15.718 -4.713 4.165 71 1HB TYR 8 HB2 TYR 8 -18.085 -5.011 2.727 72 2HB TYR 8 HB1 TYR 8 -16.854 -4.831 1.483 73 HD1 TYR 8 HD1 TYR 8 -16.698 -6.359 4.842 74 HD2 TYR 8 HD2 TYR 8 -16.419 -6.960 0.659 75 HE1 TYR 8 HE1 TYR 8 -15.936 -8.556 5.233 76 HE2 TYR 8 HE2 TYR 8 -15.665 -9.218 1.031 77 HH TYR 8 HH TYR 8 -14.348 -10.375 3.363 78 H TRP 9 HN TRP 9 -16.927 -2.346 1.851 79 HA TRP 9 HA TRP 9 -14.650 -2.067 0.209 80 1HB TRP 9 HB2 TRP 9 -17.129 -0.583 0.798 81 2HB TRP 9 HB1 TRP 9 -15.774 0.455 0.354 82 HD1 TRP 9 HD1 TRP 9 -18.440 -1.472 -1.143 83 HE1 TRP 9 HE1 TRP 9 -17.956 -1.713 -3.692 84 HE3 TRP 9 HE3 TRP 9 -13.708 0.006 -1.150 85 HZ2 TRP 9 HZ2 TRP 9 -15.822 -1.309 -5.446 86 HZ3 TRP 9 HZ3 TRP 9 -12.445 0.090 -3.271 87 HH2 TRP 9 HH2 TRP 9 -13.516 -0.572 -5.380 88 H LYS 10 HN LYS 10 -15.951 -0.037 2.635 89 HA LYS 10 HA LYS 10 -13.933 1.725 3.172 90 1HB LYS 10 HB2 LYS 10 -15.773 2.275 4.404 91 2HB LYS 10 HB1 LYS 10 -16.205 0.604 4.676 92 1HG LYS 10 HG2 LYS 10 -15.605 2.042 6.695 93 2HG LYS 10 HG1 LYS 10 -14.896 0.432 6.581 94 1HD LYS 10 HD2 LYS 10 -12.829 1.242 6.489 95 2HD LYS 10 HD1 LYS 10 -13.270 2.448 5.280 96 1HE LYS 10 HE2 LYS 10 -13.511 2.651 8.276 97 2HE LYS 10 HE1 LYS 10 -12.515 3.633 7.202 98 1HZ LYS 10 HZ1 LYS 10 -14.244 5.043 7.441 99 2HZ LYS 10 HZ2 LYS 10 -15.362 3.821 7.783 100 3HZ LYS 10 HZ3 LYS 10 -14.904 4.123 6.183 101 H GLN 11 HN GLN 11 -14.399 -1.398 4.820 102 HA GLN 11 HA GLN 11 -11.913 -1.153 6.221 103 1HB GLN 11 HB2 GLN 11 -12.396 -3.277 7.154 104 2HB GLN 11 HB1 GLN 11 -13.941 -2.462 7.010 105 1HG GLN 11 HG2 GLN 11 -14.463 -3.725 5.023 106 2HG GLN 11 HG1 GLN 11 -12.874 -4.470 5.047 107 1HE2 GLN 11 HE21 GLN 11 -13.564 -4.368 8.236 108 2HE2 GLN 11 HE22 GLN 11 -14.390 -5.873 8.407 109 H TRP 12 HN TRP 12 -12.362 -1.550 3.117 110 HA TRP 12 HA TRP 12 -10.063 -3.358 2.750 111 1HB TRP 12 HB2 TRP 12 -12.308 -3.915 1.664 112 2HB TRP 12 HB1 TRP 12 -12.042 -2.574 0.618 113 HD1 TRP 12 HD1 TRP 12 -11.203 -6.096 1.027 114 HE1 TRP 12 HE1 TRP 12 -9.473 -6.781 -0.733 115 HE3 TRP 12 HE3 TRP 12 -10.106 -1.555 -0.577 116 HZ2 TRP 12 HZ2 TRP 12 -7.838 -5.482 -2.637 117 HZ3 TRP 12 HZ3 TRP 12 -8.440 -1.234 -2.410 118 HH2 TRP 12 HH2 TRP 12 -7.317 -3.212 -3.423 119 H LEU 13 HN LEU 13 -11.440 -0.192 1.873 120 HA LEU 13 HA LEU 13 -8.929 0.452 0.523 121 1HB LEU 13 HB2 LEU 13 -11.133 0.974 -0.565 122 2HB LEU 13 HB1 LEU 13 -11.444 2.116 0.728 123 HG LEU 13 HG LEU 13 -9.020 2.989 -0.144 124 1HD1 LEU 13 HD11 LEU 13 -8.908 1.421 -1.976 125 2HD1 LEU 13 HD12 LEU 13 -9.133 3.054 -2.605 126 3HD1 LEU 13 HD13 LEU 13 -10.495 1.934 -2.551 127 1HD2 LEU 13 HD21 LEU 13 -11.341 4.014 -1.652 128 2HD2 LEU 13 HD22 LEU 13 -10.152 4.872 -0.672 129 3HD2 LEU 13 HD23 LEU 13 -11.485 4.018 0.106 130 H SER 14 HN SER 14 -10.351 0.702 3.560 131 HA SER 14 HA SER 14 -9.064 3.200 4.228 132 1HB SER 14 HB2 SER 14 -11.250 1.910 5.294 133 2HB SER 14 HB1 SER 14 -9.996 1.541 6.465 134 HG SER 14 HG SER 14 -10.330 3.474 7.192 135 H LEU 15 HN LEU 15 -8.724 -0.215 4.962 136 HA LEU 15 HA LEU 15 -6.289 0.202 6.404 137 1HB LEU 15 HB2 LEU 15 -7.575 -2.363 5.494 138 2HB LEU 15 HB1 LEU 15 -6.330 -2.181 6.711 139 HG LEU 15 HG LEU 15 -8.211 -2.440 8.018 140 1HD1 LEU 15 HD11 LEU 15 -8.797 -0.284 8.959 141 2HD1 LEU 15 HD12 LEU 15 -8.175 0.532 7.522 142 3HD1 LEU 15 HD13 LEU 15 -7.069 -0.325 8.600 143 1HD2 LEU 15 HD21 LEU 15 -10.177 -2.449 7.010 144 2HD2 LEU 15 HD22 LEU 15 -9.471 -1.618 5.614 145 3HD2 LEU 15 HD23 LEU 15 -10.144 -0.684 6.958 146 H ARG 16 HN ARG 16 -7.170 -1.640 3.521 147 HA ARG 16 HA ARG 16 -4.655 -2.327 2.668 148 1HB ARG 16 HB2 ARG 16 -7.131 -1.664 1.164 149 2HB ARG 16 HB1 ARG 16 -5.665 -1.993 0.279 150 1HG ARG 16 HG2 ARG 16 -7.158 -3.833 2.126 151 2HG ARG 16 HG1 ARG 16 -6.914 -4.008 0.387 152 1HD ARG 16 HD2 ARG 16 -4.427 -4.107 0.903 153 2HD ARG 16 HD1 ARG 16 -4.893 -4.294 2.594 154 HE ARG 16 HE ARG 16 -6.314 -6.227 1.357 155 1HH1 ARG 16 1HH1 ARG 16 -2.932 -5.368 1.304 156 2HH1 ARG 16 2HH1 ARG 16 -2.396 -6.990 1.020 157 1HH2 ARG 16 1HH2 ARG 16 -5.611 -8.361 0.983 158 2HH2 ARG 16 2HH2 ARG 16 -3.916 -8.689 0.838 159 H ASN 17 HN ASN 17 -6.171 0.738 2.513 160 HA ASN 17 HA ASN 17 -4.584 2.049 0.662 161 1HB ASN 17 HB2 ASN 17 -6.515 2.689 2.693 162 2HB ASN 17 HB1 ASN 17 -5.296 3.899 2.610 163 1HD2 ASN 17 HD21 ASN 17 -7.430 4.976 2.012 164 2HD2 ASN 17 HD22 ASN 17 -7.732 5.101 0.324 165 HA PRO 18 HA PRO 18 -1.780 3.891 4.079 166 1HB PRO 18 HB2 PRO 18 -2.057 2.689 6.565 167 2HB PRO 18 HB1 PRO 18 -2.638 4.297 6.120 168 1HG PRO 18 HG2 PRO 18 -4.089 1.702 6.137 169 2HG PRO 18 HG1 PRO 18 -4.653 3.308 6.632 170 1HD PRO 18 HD2 PRO 18 -5.382 2.313 4.296 171 2HD PRO 18 HD1 PRO 18 -4.923 4.018 4.429 172 H ILE 19 HN ILE 19 -2.794 0.639 3.976 173 HA ILE 19 HA ILE 19 -0.297 -0.484 4.870 174 HB ILE 19 HB ILE 19 -2.625 -1.759 3.446 175 1HG1 ILE 19 HG12 ILE 19 -1.717 -1.525 6.292 176 2HG1 ILE 19 HG11 ILE 19 -3.312 -1.252 5.620 177 1HG2 ILE 19 HG21 ILE 19 -0.156 -3.082 4.567 178 2HG2 ILE 19 HG22 ILE 19 -0.605 -2.981 2.865 179 3HG2 ILE 19 HG23 ILE 19 -1.589 -3.926 3.981 180 1HD1 ILE 19 HD11 ILE 19 -3.372 -3.762 5.183 181 2HD1 ILE 19 HD12 ILE 19 -3.517 -3.215 6.853 182 3HD1 ILE 19 HD13 ILE 19 -1.981 -3.852 6.264 183 H LEU 20 HN LEU 20 -1.632 0.400 1.813 184 HA LEU 20 HA LEU 20 0.333 -0.887 0.192 185 1HB LEU 20 HB2 LEU 20 -1.395 1.506 -0.469 186 2HB LEU 20 HB1 LEU 20 -0.463 0.573 -1.622 187 HG LEU 20 HG LEU 20 -3.098 0.046 -0.466 188 1HD1 LEU 20 HD11 LEU 20 -3.601 -0.580 -2.579 189 2HD1 LEU 20 HD12 LEU 20 -2.055 -1.391 -2.827 190 3HD1 LEU 20 HD13 LEU 20 -2.158 0.366 -2.941 191 1HD2 LEU 20 HD21 LEU 20 -1.850 -1.670 0.728 192 2HD2 LEU 20 HD22 LEU 20 -1.146 -2.230 -0.790 193 3HD2 LEU 20 HD23 LEU 20 -2.880 -2.389 -0.511 194 H VAL 21 HN VAL 21 -0.213 2.283 1.517 195 HA VAL 21 HA VAL 21 1.959 3.703 0.584 196 HB VAL 21 HB VAL 21 0.280 3.644 3.019 197 1HG1 VAL 21 HG11 VAL 21 1.467 5.510 3.980 198 2HG1 VAL 21 HG12 VAL 21 2.630 5.464 2.652 199 3HG1 VAL 21 HG13 VAL 21 2.523 4.108 3.776 200 1HG2 VAL 21 HG21 VAL 21 -0.598 4.619 0.988 201 2HG2 VAL 21 HG22 VAL 21 0.762 5.747 0.916 202 3HG2 VAL 21 HG23 VAL 21 -0.406 5.854 2.236 203 H PHE 22 HN PHE 22 1.435 1.882 3.524 204 HA PHE 22 HA PHE 22 3.919 2.060 4.741 205 1HB PHE 22 HB2 PHE 22 2.433 1.135 6.167 206 2HB PHE 22 HB1 PHE 22 1.478 0.476 4.864 207 HD1 PHE 22 HD1 PHE 22 1.287 -1.643 4.699 208 HD2 PHE 22 HD2 PHE 22 4.758 -0.016 6.409 209 HE1 PHE 22 HE1 PHE 22 2.099 -3.928 5.152 210 HE2 PHE 22 HE2 PHE 22 5.625 -2.262 6.873 211 HZ PHE 22 HZ PHE 22 4.291 -4.237 6.223 212 H LEU 23 HN LEU 23 2.721 0.148 2.150 213 HA LEU 23 HA LEU 23 5.021 -1.671 2.005 214 1HB LEU 23 HB2 LEU 23 2.623 -1.172 0.263 215 2HB LEU 23 HB1 LEU 23 3.978 -2.085 -0.364 216 HG LEU 23 HG LEU 23 1.886 -3.230 0.788 217 1HD1 LEU 23 HD11 LEU 23 4.731 -3.936 0.528 218 2HD1 LEU 23 HD12 LEU 23 3.295 -4.782 -0.050 219 3HD1 LEU 23 HD13 LEU 23 3.796 -4.943 1.634 220 1HD2 LEU 23 HD21 LEU 23 2.870 -1.835 2.880 221 2HD2 LEU 23 HD22 LEU 23 3.632 -3.412 3.119 222 3HD2 LEU 23 HD23 LEU 23 1.874 -3.288 3.016 223 H LYS 24 HN LYS 24 3.897 1.205 0.640 224 HA LYS 24 HA LYS 24 5.684 1.450 -1.518 225 1HB LYS 24 HB2 LYS 24 3.488 2.820 -0.340 226 2HB LYS 24 HB1 LYS 24 4.723 3.979 -0.696 227 1HG LYS 24 HG2 LYS 24 3.977 3.970 -2.789 228 2HG LYS 24 HG1 LYS 24 4.568 2.310 -2.909 229 1HD LYS 24 HD2 LYS 24 2.421 1.819 -3.352 230 2HD LYS 24 HD1 LYS 24 2.257 1.908 -1.594 231 1HE LYS 24 HE2 LYS 24 2.016 4.544 -2.515 232 2HE LYS 24 HE1 LYS 24 1.073 3.565 -3.638 233 1HZ LYS 24 HZ1 LYS 24 0.610 4.126 -0.827 234 2HZ LYS 24 HZ2 LYS 24 0.287 2.540 -1.317 235 3HZ LYS 24 HZ3 LYS 24 -0.499 3.834 -2.071 236 H THR 25 HN THR 25 5.572 2.722 1.711 237 HA THR 25 HA THR 25 7.931 4.254 1.541 238 HB THR 25 HB THR 25 6.338 4.892 3.182 239 HG1 THR 25 HG1 THR 25 7.666 5.112 4.834 240 1HG2 THR 25 HG21 THR 25 5.260 3.569 4.684 241 2HG2 THR 25 HG22 THR 25 6.571 2.391 4.755 242 3HG2 THR 25 HG23 THR 25 5.482 2.417 3.364 243 H ARG 26 HN ARG 26 7.135 1.045 2.859 244 HA ARG 26 HA ARG 26 9.665 0.447 3.919 245 1HB ARG 26 HB2 ARG 26 7.483 -1.238 2.726 246 2HB ARG 26 HB1 ARG 26 8.934 -1.959 3.413 247 1HG ARG 26 HG2 ARG 26 6.736 -0.471 4.796 248 2HG ARG 26 HG1 ARG 26 7.370 -2.072 5.133 249 1HD ARG 26 HD2 ARG 26 8.862 0.509 5.556 250 2HD ARG 26 HD1 ARG 26 8.012 -0.378 6.817 251 HE ARG 26 HE ARG 26 10.531 -1.104 5.562 252 1HH1 ARG 26 1HH1 ARG 26 7.906 -2.060 7.663 253 2HH1 ARG 26 2HH1 ARG 26 8.822 -3.306 8.441 254 1HH2 ARG 26 1HH2 ARG 26 11.729 -2.746 6.587 255 2HH2 ARG 26 2HH2 ARG 26 10.988 -3.696 7.832 256 H VAL 27 HN VAL 27 8.308 0.128 0.738 257 HA VAL 27 HA VAL 27 10.518 -1.144 -0.533 258 HB VAL 27 HB VAL 27 7.905 0.024 -1.253 259 1HG1 VAL 27 HG11 VAL 27 10.152 -0.201 -3.211 260 2HG1 VAL 27 HG12 VAL 27 9.116 1.182 -2.864 261 3HG1 VAL 27 HG13 VAL 27 8.456 -0.227 -3.693 262 1HG2 VAL 27 HG21 VAL 27 7.683 -2.104 -2.473 263 2HG2 VAL 27 HG22 VAL 27 8.106 -2.336 -0.776 264 3HG2 VAL 27 HG23 VAL 27 9.340 -2.511 -2.025 265 H LEU 28 HN LEU 28 9.669 2.050 0.330 266 HA LEU 28 HA LEU 28 11.215 3.452 -1.590 267 1HB LEU 28 HB2 LEU 28 9.975 5.188 -0.903 268 2HB LEU 28 HB1 LEU 28 9.038 4.013 -0.055 269 HG LEU 28 HG LEU 28 10.291 4.446 1.984 270 1HD1 LEU 28 HD11 LEU 28 11.549 6.870 1.564 271 2HD1 LEU 28 HD12 LEU 28 12.029 5.893 0.176 272 3HD1 LEU 28 HD13 LEU 28 12.326 5.308 1.812 273 1HD2 LEU 28 HD21 LEU 28 8.847 6.059 2.510 274 2HD2 LEU 28 HD22 LEU 28 8.367 6.044 0.814 275 3HD2 LEU 28 HD23 LEU 28 9.581 7.193 1.376 276 H LYS 29 HN LYS 29 11.278 2.813 1.813 277 HA LYS 29 HA LYS 29 13.809 3.970 2.300 278 1HB LYS 29 HB2 LYS 29 13.657 3.114 4.519 279 2HB LYS 29 HB1 LYS 29 12.038 3.613 4.058 280 1HG LYS 29 HG2 LYS 29 11.415 1.312 3.634 281 2HG LYS 29 HG1 LYS 29 13.060 0.780 3.993 282 1HD LYS 29 HD2 LYS 29 12.281 2.302 6.202 283 2HD LYS 29 HD1 LYS 29 10.868 1.328 5.791 284 1HE LYS 29 HE2 LYS 29 12.467 -0.653 5.696 285 2HE LYS 29 HE1 LYS 29 13.642 0.399 6.482 286 1HZ LYS 29 HZ1 LYS 29 12.165 -1.104 7.924 287 2HZ LYS 29 HZ2 LYS 29 10.954 0.042 7.637 288 3HZ LYS 29 HZ3 LYS 29 12.389 0.504 8.404 289 H ARG 30 HN ARG 30 12.677 1.029 1.129 290 HA ARG 30 HA ARG 30 15.082 -0.458 1.537 291 1HB ARG 30 HB2 ARG 30 12.433 -0.865 0.285 292 2HB ARG 30 HB1 ARG 30 13.721 -1.929 -0.204 293 1HG ARG 30 HG2 ARG 30 13.598 -1.629 2.655 294 2HG ARG 30 HG1 ARG 30 12.057 -2.156 1.993 295 1HD ARG 30 HD2 ARG 30 12.936 -4.221 2.090 296 2HD ARG 30 HD1 ARG 30 13.818 -3.746 0.639 297 HE ARG 30 HE ARG 30 15.433 -2.892 2.619 298 1HH1 ARG 30 1HH1 ARG 30 13.890 -5.961 1.998 299 2HH1 ARG 30 2HH1 ARG 30 15.138 -6.884 2.764 300 1HH2 ARG 30 1HH2 ARG 30 17.074 -4.104 3.627 301 2HH2 ARG 30 2HH2 ARG 30 16.945 -5.831 3.690 302 H TRP 31 HN TRP 31 13.511 1.517 -0.792 303 HA TRP 31 HA TRP 31 15.080 0.998 -3.045 304 1HB TRP 31 HB2 TRP 31 12.784 2.425 -2.317 305 2HB TRP 31 HB1 TRP 31 13.880 3.567 -2.985 306 HD1 TRP 31 HD1 TRP 31 11.799 0.721 -3.870 307 HE1 TRP 31 HE1 TRP 31 11.858 0.378 -6.415 308 HE3 TRP 31 HE3 TRP 31 15.413 3.839 -4.734 309 HZ2 TRP 31 HZ2 TRP 31 13.382 1.419 -8.568 310 HZ3 TRP 31 HZ3 TRP 31 16.256 4.230 -7.072 311 HH2 TRP 31 HH2 TRP 31 15.241 3.017 -8.959 312 H ARG 32 HN ARG 32 14.946 3.349 -0.357 313 HA ARG 32 HA ARG 32 17.073 5.024 -1.148 314 1HB ARG 32 HB2 ARG 32 16.032 4.080 1.484 315 2HB ARG 32 HB1 ARG 32 17.169 5.424 1.326 316 1HG ARG 32 HG2 ARG 32 15.526 6.635 -0.006 317 2HG ARG 32 HG1 ARG 32 14.402 5.302 0.151 318 1HD ARG 32 HD2 ARG 32 14.005 5.693 2.353 319 2HD ARG 32 HD1 ARG 32 15.545 6.502 2.608 320 HE ARG 32 HE ARG 32 13.734 7.926 0.878 321 1HH1 ARG 32 1HH1 ARG 32 14.736 7.403 4.181 322 2HH1 ARG 32 2HH1 ARG 32 14.145 8.934 4.733 323 1HH2 ARG 32 1HH2 ARG 32 12.959 9.940 1.603 324 2HH2 ARG 32 2HH2 ARG 32 13.136 10.375 3.270 325 H LEU 33 HN LEU 33 16.829 2.202 0.836 326 HA LEU 33 HA LEU 33 19.445 1.777 1.627 327 1HB LEU 33 HB2 LEU 33 16.885 0.315 1.331 328 2HB LEU 33 HB1 LEU 33 18.286 -0.582 1.750 329 HG LEU 33 HG LEU 33 16.560 0.681 3.432 330 1HD1 LEU 33 HD11 LEU 33 19.244 0.256 4.548 331 2HD1 LEU 33 HD12 LEU 33 18.565 -1.121 3.680 332 3HD1 LEU 33 HD13 LEU 33 17.692 -0.421 5.044 333 1HD2 LEU 33 HD21 LEU 33 17.585 2.543 4.411 334 2HD2 LEU 33 HD22 LEU 33 17.691 2.790 2.665 335 3HD2 LEU 33 HD23 LEU 33 19.104 2.240 3.564 336 H PHE 34 HN PHE 34 17.502 0.728 -0.982 337 HA PHE 34 HA PHE 34 19.402 -1.089 -2.107 338 1HB PHE 34 HB2 PHE 34 16.714 -0.217 -2.644 339 2HB PHE 34 HB1 PHE 34 17.615 -0.560 -4.091 340 HD1 PHE 34 HD1 PHE 34 16.646 -2.576 -4.774 341 HD2 PHE 34 HD2 PHE 34 18.015 -2.002 -0.816 342 HE1 PHE 34 HE1 PHE 34 16.372 -4.968 -4.353 343 HE2 PHE 34 HE2 PHE 34 17.754 -4.392 -0.364 344 HZ PHE 34 HZ PHE 34 16.921 -5.909 -2.133 345 H SER 35 HN SER 35 18.735 2.158 -2.131 346 HA SER 35 HA SER 35 20.313 2.650 -4.596 347 1HB SER 35 HB2 SER 35 18.133 4.047 -3.529 348 2HB SER 35 HB1 SER 35 19.524 5.090 -3.250 349 HG SER 35 HG SER 35 20.023 4.784 -5.505 350 H LYS 36 HN LYS 36 20.513 2.991 -1.124 351 HA LYS 36 HA LYS 36 22.880 4.612 -1.207 352 1HB LYS 36 HB2 LYS 36 22.713 4.743 1.067 353 2HB LYS 36 HB1 LYS 36 21.060 4.303 0.680 354 1HG LYS 36 HG2 LYS 36 21.392 2.064 1.358 355 2HG LYS 36 HG1 LYS 36 23.142 2.272 1.436 356 1HD LYS 36 HD2 LYS 36 22.031 2.267 3.662 357 2HD LYS 36 HD1 LYS 36 22.947 3.737 3.326 358 1HE LYS 36 HE2 LYS 36 20.063 3.699 2.612 359 2HE LYS 36 HE1 LYS 36 20.486 3.799 4.321 360 1HZ LYS 36 HZ1 LYS 36 22.102 5.648 3.322 361 2HZ LYS 36 HZ2 LYS 36 20.533 5.989 3.851 362 3HZ LYS 36 HZ3 LYS 36 20.838 5.760 2.203 363 H HIS 37 HN HIS 37 22.187 1.285 -1.327 364 HA HIS 37 HA HIS 37 24.740 0.330 -0.495 365 1HB HIS 37 HB2 HIS 37 23.459 -1.470 -0.292 366 2HB HIS 37 HB1 HIS 37 22.163 -0.763 -1.190 367 HD1 HIS 37 HD1 HIS 37 24.877 -3.264 -1.449 368 HD2 HIS 37 HD2 HIS 37 22.120 -1.389 -3.920 369 HE1 HIS 37 HE1 HIS 37 24.833 -4.637 -3.558 370 HE2 HIS 37 HE2 HIS 37 23.072 -3.549 -4.999 371 H GLU 38 HN GLU 38 23.062 0.321 -3.590 372 HA GLU 38 HA GLU 38 23.811 0.120 -5.741 373 1HB GLU 38 HB2 GLU 38 25.566 1.860 -6.323 374 2HB GLU 38 HB1 GLU 38 24.092 2.455 -5.573 375 1HG GLU 38 HG2 GLU 38 25.215 2.660 -3.445 376 2HG GLU 38 HG1 GLU 38 26.682 1.957 -4.123 Start of MODEL 2 1 1H VAL 1 HT1 VAL 1 -29.865 3.178 0.127 2 2H VAL 1 HT2 VAL 1 -28.165 3.329 -0.057 3 3H VAL 1 HT3 VAL 1 -28.867 3.344 1.509 4 HA VAL 1 HA VAL 1 -29.775 1.048 0.465 5 HB VAL 1 HB VAL 1 -27.765 -0.121 -0.352 6 1HG1 VAL 1 HG11 VAL 1 -29.135 0.445 -2.114 7 2HG1 VAL 1 HG12 VAL 1 -27.626 1.228 -2.585 8 3HG1 VAL 1 HG13 VAL 1 -28.925 2.178 -1.861 9 1HG2 VAL 1 HG21 VAL 1 -26.462 2.544 -0.780 10 2HG2 VAL 1 HG22 VAL 1 -25.745 0.935 -0.842 11 3HG2 VAL 1 HG23 VAL 1 -26.210 1.634 0.710 12 H MET 2 HN MET 2 -28.472 -0.880 1.475 13 HA MET 2 HA MET 2 -28.175 -0.290 4.234 14 1HB MET 2 HB2 MET 2 -28.235 -2.669 2.490 15 2HB MET 2 HB1 MET 2 -27.326 -2.838 3.971 16 1HG MET 2 HG2 MET 2 -29.286 -2.166 5.261 17 2HG MET 2 HG1 MET 2 -30.193 -1.985 3.760 18 1HE MET 2 HE1 MET 2 -32.194 -3.822 4.351 19 2HE MET 2 HE2 MET 2 -31.813 -5.218 3.342 20 3HE MET 2 HE3 MET 2 -31.505 -3.589 2.743 21 HA PRO 3 HA PRO 3 -23.732 -0.038 4.355 22 1HB PRO 3 HB2 PRO 3 -23.254 -0.479 6.900 23 2HB PRO 3 HB1 PRO 3 -24.490 0.710 6.494 24 1HG PRO 3 HG2 PRO 3 -24.844 -2.180 7.205 25 2HG PRO 3 HG1 PRO 3 -25.632 -0.764 7.941 26 1HD PRO 3 HD2 PRO 3 -26.755 -2.257 5.910 27 2HD PRO 3 HD1 PRO 3 -27.130 -0.546 6.202 28 H LYS 4 HN LYS 4 -22.072 -1.732 6.084 29 HA LYS 4 HA LYS 4 -20.947 -3.696 6.126 30 1HB LYS 4 HB2 LYS 4 -23.325 -4.599 6.373 31 2HB LYS 4 HB1 LYS 4 -23.238 -4.976 4.658 32 1HG LYS 4 HG2 LYS 4 -22.515 -6.963 5.437 33 2HG LYS 4 HG1 LYS 4 -20.961 -6.125 5.468 34 1HD LYS 4 HD2 LYS 4 -22.689 -5.870 7.863 35 2HD LYS 4 HD1 LYS 4 -21.929 -7.437 7.579 36 1HE LYS 4 HE2 LYS 4 -20.071 -6.637 8.494 37 2HE LYS 4 HE1 LYS 4 -19.929 -5.529 7.131 38 1HZ LYS 4 HZ1 LYS 4 -21.203 -5.019 9.756 39 2HZ LYS 4 HZ2 LYS 4 -21.425 -4.003 8.422 40 3HZ LYS 4 HZ3 LYS 4 -19.877 -4.220 9.070 41 H GLN 5 HN GLN 5 -22.309 -2.589 3.101 42 HA GLN 5 HA GLN 5 -20.312 -4.084 1.614 43 1HB GLN 5 HB2 GLN 5 -21.937 -4.144 0.053 44 2HB GLN 5 HB1 GLN 5 -22.946 -3.160 1.093 45 1HG GLN 5 HG2 GLN 5 -22.918 -1.934 -0.812 46 2HG GLN 5 HG1 GLN 5 -21.625 -1.172 0.076 47 1HE2 GLN 5 HE21 GLN 5 -19.741 -3.263 -0.467 48 2HE2 GLN 5 HE22 GLN 5 -19.381 -3.156 -2.132 49 H ILE 6 HN ILE 6 -21.050 -0.953 2.777 50 HA ILE 6 HA ILE 6 -18.996 0.334 1.238 51 HB ILE 6 HB ILE 6 -19.613 2.277 2.836 52 1HG1 ILE 6 HG12 ILE 6 -21.912 2.287 3.599 53 2HG1 ILE 6 HG11 ILE 6 -22.156 0.653 3.039 54 1HG2 ILE 6 HG21 ILE 6 -21.490 1.309 0.713 55 2HG2 ILE 6 HG22 ILE 6 -19.976 2.177 0.442 56 3HG2 ILE 6 HG23 ILE 6 -21.319 2.977 1.265 57 1HD1 ILE 6 HD11 ILE 6 -21.148 -0.233 4.855 58 2HD1 ILE 6 HD12 ILE 6 -21.563 1.323 5.569 59 3HD1 ILE 6 HD13 ILE 6 -19.939 1.051 4.935 60 H VAL 7 HN VAL 7 -19.558 -1.122 4.316 61 HA VAL 7 HA VAL 7 -17.324 0.000 5.699 62 HB VAL 7 HB VAL 7 -19.557 -1.125 6.602 63 1HG1 VAL 7 HG11 VAL 7 -19.088 -3.327 5.609 64 2HG1 VAL 7 HG12 VAL 7 -19.247 -3.398 7.363 65 3HG1 VAL 7 HG13 VAL 7 -17.649 -3.458 6.619 66 1HG2 VAL 7 HG21 VAL 7 -18.547 -1.277 8.722 67 2HG2 VAL 7 HG22 VAL 7 -17.701 -0.012 7.833 68 3HG2 VAL 7 HG23 VAL 7 -16.965 -1.602 8.016 69 H TYR 8 HN TYR 8 -18.178 -2.865 3.943 70 HA TYR 8 HA TYR 8 -15.850 -4.433 4.231 71 1HB TYR 8 HB2 TYR 8 -18.254 -4.655 2.869 72 2HB TYR 8 HB1 TYR 8 -17.069 -4.511 1.575 73 HD1 TYR 8 HD1 TYR 8 -16.846 -6.057 4.923 74 HD2 TYR 8 HD2 TYR 8 -16.718 -6.649 0.731 75 HE1 TYR 8 HE1 TYR 8 -16.141 -8.278 5.282 76 HE2 TYR 8 HE2 TYR 8 -16.024 -8.931 1.072 77 HH TYR 8 HH TYR 8 -14.976 -10.329 2.754 78 H TRP 9 HN TRP 9 -16.975 -2.054 1.890 79 HA TRP 9 HA TRP 9 -14.724 -1.936 0.201 80 1HB TRP 9 HB2 TRP 9 -17.110 -0.319 0.801 81 2HB TRP 9 HB1 TRP 9 -15.715 0.646 0.317 82 HD1 TRP 9 HD1 TRP 9 -18.492 -1.181 -1.094 83 HE1 TRP 9 HE1 TRP 9 -18.072 -1.485 -3.650 84 HE3 TRP 9 HE3 TRP 9 -13.700 0.084 -1.222 85 HZ2 TRP 9 HZ2 TRP 9 -15.958 -1.204 -5.453 86 HZ3 TRP 9 HZ3 TRP 9 -12.480 0.079 -3.369 87 HH2 TRP 9 HH2 TRP 9 -13.622 -0.568 -5.445 88 H LYS 10 HN LYS 10 -15.849 0.235 2.603 89 HA LYS 10 HA LYS 10 -13.691 1.873 2.987 90 1HB LYS 10 HB2 LYS 10 -15.789 2.384 3.997 91 2HB LYS 10 HB1 LYS 10 -15.783 0.887 4.914 92 1HG LYS 10 HG2 LYS 10 -13.491 2.109 5.752 93 2HG LYS 10 HG1 LYS 10 -14.596 3.463 5.525 94 1HD LYS 10 HD2 LYS 10 -16.111 2.648 7.094 95 2HD LYS 10 HD1 LYS 10 -15.475 1.005 6.990 96 1HE LYS 10 HE2 LYS 10 -14.822 2.005 9.094 97 2HE LYS 10 HE1 LYS 10 -13.401 1.765 8.078 98 1HZ LYS 10 HZ1 LYS 10 -14.584 4.217 9.046 99 2HZ LYS 10 HZ2 LYS 10 -14.137 4.257 7.415 100 3HZ LYS 10 HZ3 LYS 10 -12.986 3.888 8.599 101 H GLN 11 HN GLN 11 -14.388 -1.137 4.773 102 HA GLN 11 HA GLN 11 -11.916 -0.973 6.209 103 1HB GLN 11 HB2 GLN 11 -12.520 -3.025 7.212 104 2HB GLN 11 HB1 GLN 11 -14.029 -2.163 6.992 105 1HG GLN 11 HG2 GLN 11 -14.567 -3.495 5.069 106 2HG GLN 11 HG1 GLN 11 -12.992 -4.264 5.113 107 1HE2 GLN 11 HE21 GLN 11 -13.673 -4.069 8.300 108 2HE2 GLN 11 HE22 GLN 11 -14.527 -5.552 8.509 109 H TRP 12 HN TRP 12 -12.366 -1.429 3.118 110 HA TRP 12 HA TRP 12 -10.170 -3.373 2.784 111 1HB TRP 12 HB2 TRP 12 -12.445 -3.818 1.716 112 2HB TRP 12 HB1 TRP 12 -12.131 -2.491 0.667 113 HD1 TRP 12 HD1 TRP 12 -11.469 -6.049 1.068 114 HE1 TRP 12 HE1 TRP 12 -9.834 -6.827 -0.741 115 HE3 TRP 12 HE3 TRP 12 -10.182 -1.579 -0.589 116 HZ2 TRP 12 HZ2 TRP 12 -8.194 -5.624 -2.702 117 HZ3 TRP 12 HZ3 TRP 12 -8.562 -1.350 -2.477 118 HH2 TRP 12 HH2 TRP 12 -7.579 -3.388 -3.515 119 H LEU 13 HN LEU 13 -11.365 -0.161 1.808 120 HA LEU 13 HA LEU 13 -8.761 0.288 0.537 121 1HB LEU 13 HB2 LEU 13 -10.748 0.851 -0.794 122 2HB LEU 13 HB1 LEU 13 -11.296 1.946 0.462 123 HG LEU 13 HG LEU 13 -8.632 2.669 -0.325 124 1HD1 LEU 13 HD11 LEU 13 -9.780 1.470 -2.438 125 2HD1 LEU 13 HD12 LEU 13 -8.662 2.826 -2.572 126 3HD1 LEU 13 HD13 LEU 13 -10.402 3.107 -2.637 127 1HD2 LEU 13 HD21 LEU 13 -9.482 4.758 -0.196 128 2HD2 LEU 13 HD22 LEU 13 -10.804 3.926 0.623 129 3HD2 LEU 13 HD23 LEU 13 -10.945 4.336 -1.087 130 H SER 14 HN SER 14 -10.190 0.656 3.517 131 HA SER 14 HA SER 14 -8.892 3.187 4.102 132 1HB SER 14 HB2 SER 14 -11.152 2.022 5.162 133 2HB SER 14 HB1 SER 14 -9.942 1.658 6.382 134 HG SER 14 HG SER 14 -11.171 3.775 6.441 135 H LEU 15 HN LEU 15 -8.692 -0.212 4.924 136 HA LEU 15 HA LEU 15 -6.277 0.154 6.421 137 1HB LEU 15 HB2 LEU 15 -7.684 -2.378 5.589 138 2HB LEU 15 HB1 LEU 15 -6.446 -2.214 6.818 139 HG LEU 15 HG LEU 15 -8.352 -2.310 8.106 140 1HD1 LEU 15 HD11 LEU 15 -8.176 0.630 7.470 141 2HD1 LEU 15 HD12 LEU 15 -7.113 -0.219 8.597 142 3HD1 LEU 15 HD13 LEU 15 -8.839 -0.090 8.940 143 1HD2 LEU 15 HD21 LEU 15 -10.182 -0.520 6.933 144 2HD2 LEU 15 HD22 LEU 15 -10.297 -2.277 7.059 145 3HD2 LEU 15 HD23 LEU 15 -9.529 -1.539 5.643 146 H ARG 16 HN ARG 16 -7.176 -1.821 3.627 147 HA ARG 16 HA ARG 16 -4.652 -2.592 2.879 148 1HB ARG 16 HB2 ARG 16 -7.164 -2.126 1.387 149 2HB ARG 16 HB1 ARG 16 -5.712 -2.469 0.474 150 1HG ARG 16 HG2 ARG 16 -5.779 -4.631 1.011 151 2HG ARG 16 HG1 ARG 16 -6.051 -4.261 2.715 152 1HD ARG 16 HD2 ARG 16 -8.319 -4.352 2.522 153 2HD ARG 16 HD1 ARG 16 -8.299 -3.854 0.838 154 HE ARG 16 HE ARG 16 -7.859 -6.078 0.201 155 1HH1 ARG 16 1HH1 ARG 16 -8.251 -5.745 3.661 156 2HH1 ARG 16 2HH1 ARG 16 -8.532 -7.434 3.911 157 1HH2 ARG 16 1HH2 ARG 16 -8.227 -8.296 0.541 158 2HH2 ARG 16 2HH2 ARG 16 -8.518 -8.879 2.145 159 H ASN 17 HN ASN 17 -6.094 0.471 2.524 160 HA ASN 17 HA ASN 17 -4.477 1.574 0.530 161 1HB ASN 17 HB2 ASN 17 -6.428 2.431 2.451 162 2HB ASN 17 HB1 ASN 17 -5.175 3.601 2.307 163 1HD2 ASN 17 HD21 ASN 17 -7.177 4.751 1.549 164 2HD2 ASN 17 HD22 ASN 17 -7.471 4.715 -0.145 165 HA PRO 18 HA PRO 18 -1.773 3.649 3.930 166 1HB PRO 18 HB2 PRO 18 -2.115 2.499 6.442 167 2HB PRO 18 HB1 PRO 18 -2.659 4.104 5.949 168 1HG PRO 18 HG2 PRO 18 -4.151 1.538 6.012 169 2HG PRO 18 HG1 PRO 18 -4.707 3.173 6.410 170 1HD PRO 18 HD2 PRO 18 -5.370 2.061 4.099 171 2HD PRO 18 HD1 PRO 18 -4.917 3.771 4.170 172 H ILE 19 HN ILE 19 -2.769 0.384 3.952 173 HA ILE 19 HA ILE 19 -0.271 -0.694 4.894 174 HB ILE 19 HB ILE 19 -2.535 -2.064 3.449 175 1HG1 ILE 19 HG12 ILE 19 -1.790 -1.768 6.353 176 2HG1 ILE 19 HG11 ILE 19 -3.274 -1.264 5.574 177 1HG2 ILE 19 HG21 ILE 19 0.088 -2.999 3.864 178 2HG2 ILE 19 HG22 ILE 19 -1.312 -3.916 3.311 179 3HG2 ILE 19 HG23 ILE 19 -0.933 -3.836 5.030 180 1HD1 ILE 19 HD11 ILE 19 -2.391 -4.039 6.266 181 2HD1 ILE 19 HD12 ILE 19 -3.699 -3.726 5.124 182 3HD1 ILE 19 HD13 ILE 19 -3.836 -3.175 6.794 183 H LEU 20 HN LEU 20 -1.607 0.041 1.796 184 HA LEU 20 HA LEU 20 0.389 -1.281 0.241 185 1HB LEU 20 HB2 LEU 20 -1.379 1.044 -0.538 186 2HB LEU 20 HB1 LEU 20 -0.428 0.072 -1.642 187 HG LEU 20 HG LEU 20 -3.058 -0.440 -0.474 188 1HD1 LEU 20 HD11 LEU 20 -1.778 -1.807 -2.811 189 2HD1 LEU 20 HD12 LEU 20 -2.358 -0.144 -2.919 190 3HD1 LEU 20 HD13 LEU 20 -3.482 -1.447 -2.530 191 1HD2 LEU 20 HD21 LEU 20 -1.814 -2.076 0.819 192 2HD2 LEU 20 HD22 LEU 20 -1.057 -2.689 -0.653 193 3HD2 LEU 20 HD23 LEU 20 -2.794 -2.878 -0.410 194 H VAL 21 HN VAL 21 -0.222 1.934 1.418 195 HA VAL 21 HA VAL 21 1.929 3.344 0.417 196 HB VAL 21 HB VAL 21 0.241 3.383 2.841 197 1HG1 VAL 21 HG11 VAL 21 2.475 3.935 3.575 198 2HG1 VAL 21 HG12 VAL 21 1.381 5.320 3.709 199 3HG1 VAL 21 HG13 VAL 21 2.549 5.235 2.386 200 1HG2 VAL 21 HG21 VAL 21 0.685 5.375 0.627 201 2HG2 VAL 21 HG22 VAL 21 -0.488 5.535 1.937 202 3HG2 VAL 21 HG23 VAL 21 -0.651 4.227 0.758 203 H PHE 22 HN PHE 22 1.415 1.665 3.446 204 HA PHE 22 HA PHE 22 3.879 1.957 4.675 205 1HB PHE 22 HB2 PHE 22 2.402 1.060 6.129 206 2HB PHE 22 HB1 PHE 22 1.480 0.314 4.849 207 HD1 PHE 22 HD1 PHE 22 4.753 -0.013 6.451 208 HD2 PHE 22 HD2 PHE 22 1.353 -1.811 4.776 209 HE1 PHE 22 HE1 PHE 22 5.683 -2.212 7.016 210 HE2 PHE 22 HE2 PHE 22 2.224 -4.052 5.336 211 HZ PHE 22 HZ PHE 22 4.412 -4.250 6.441 212 H LEU 23 HN LEU 23 2.758 -0.103 2.161 213 HA LEU 23 HA LEU 23 5.104 -1.870 2.131 214 1HB LEU 23 HB2 LEU 23 2.729 -1.503 0.324 215 2HB LEU 23 HB1 LEU 23 4.116 -2.413 -0.233 216 HG LEU 23 HG LEU 23 2.026 -3.552 0.925 217 1HD1 LEU 23 HD11 LEU 23 3.951 -5.183 1.887 218 2HD1 LEU 23 HD12 LEU 23 4.889 -4.205 0.758 219 3HD1 LEU 23 HD13 LEU 23 3.486 -5.107 0.187 220 1HD2 LEU 23 HD21 LEU 23 1.962 -3.511 3.151 221 2HD2 LEU 23 HD22 LEU 23 2.935 -2.046 2.976 222 3HD2 LEU 23 HD23 LEU 23 3.719 -3.596 3.301 223 H LYS 24 HN LYS 24 3.935 0.911 0.617 224 HA LYS 24 HA LYS 24 5.762 1.109 -1.510 225 1HB LYS 24 HB2 LYS 24 3.490 2.457 -0.457 226 2HB LYS 24 HB1 LYS 24 4.699 3.640 -0.833 227 1HG LYS 24 HG2 LYS 24 3.990 3.512 -2.935 228 2HG LYS 24 HG1 LYS 24 4.682 1.888 -2.971 229 1HD LYS 24 HD2 LYS 24 2.407 1.304 -1.758 230 2HD LYS 24 HD1 LYS 24 1.861 2.730 -2.649 231 1HE LYS 24 HE2 LYS 24 3.191 1.440 -4.601 232 2HE LYS 24 HE1 LYS 24 2.667 0.064 -3.633 233 1HZ LYS 24 HZ1 LYS 24 0.520 0.390 -4.172 234 2HZ LYS 24 HZ2 LYS 24 1.171 1.177 -5.519 235 3HZ LYS 24 HZ3 LYS 24 0.647 2.078 -4.187 236 H THR 25 HN THR 25 5.533 2.537 1.651 237 HA THR 25 HA THR 25 7.841 4.138 1.456 238 HB THR 25 HB THR 25 6.198 4.792 3.040 239 HG1 THR 25 HG1 THR 25 8.257 3.592 4.569 240 1HG2 THR 25 HG21 THR 25 5.420 2.302 3.315 241 2HG2 THR 25 HG22 THR 25 5.139 3.501 4.582 242 3HG2 THR 25 HG23 THR 25 6.484 2.368 4.723 243 H ARG 26 HN ARG 26 7.128 0.965 2.906 244 HA ARG 26 HA ARG 26 9.661 0.497 4.023 245 1HB ARG 26 HB2 ARG 26 7.550 -1.308 2.875 246 2HB ARG 26 HB1 ARG 26 9.015 -1.952 3.609 247 1HG ARG 26 HG2 ARG 26 6.757 -0.473 4.904 248 2HG ARG 26 HG1 ARG 26 7.424 -2.047 5.307 249 1HD ARG 26 HD2 ARG 26 8.773 0.616 5.693 250 2HD ARG 26 HD1 ARG 26 8.040 -0.366 6.959 251 HE ARG 26 HE ARG 26 10.110 -1.697 5.451 252 1HH1 ARG 26 1HH1 ARG 26 9.382 0.283 8.234 253 2HH1 ARG 26 2HH1 ARG 26 10.809 -0.185 9.095 254 1HH2 ARG 26 1HH2 ARG 26 11.988 -2.311 6.585 255 2HH2 ARG 26 2HH2 ARG 26 12.288 -1.655 8.160 256 H VAL 27 HN VAL 27 8.364 -0.019 0.834 257 HA VAL 27 HA VAL 27 10.702 -1.226 -0.271 258 HB VAL 27 HB VAL 27 8.028 -0.326 -1.162 259 1HG1 VAL 27 HG11 VAL 27 10.352 -0.570 -3.025 260 2HG1 VAL 27 HG12 VAL 27 9.215 0.763 -2.836 261 3HG1 VAL 27 HG13 VAL 27 8.679 -0.756 -3.551 262 1HG2 VAL 27 HG21 VAL 27 9.653 -2.814 -1.666 263 2HG2 VAL 27 HG22 VAL 27 7.983 -2.566 -2.175 264 3HG2 VAL 27 HG23 VAL 27 8.384 -2.615 -0.458 265 H LEU 28 HN LEU 28 9.593 1.956 0.305 266 HA LEU 28 HA LEU 28 11.069 3.316 -1.689 267 1HB LEU 28 HB2 LEU 28 9.799 5.055 -1.047 268 2HB LEU 28 HB1 LEU 28 8.903 3.891 -0.142 269 HG LEU 28 HG LEU 28 10.175 4.429 1.859 270 1HD1 LEU 28 HD11 LEU 28 11.362 6.870 1.318 271 2HD1 LEU 28 HD12 LEU 28 11.852 5.840 -0.026 272 3HD1 LEU 28 HD13 LEU 28 12.181 5.341 1.632 273 1HD2 LEU 28 HD21 LEU 28 9.382 7.131 1.158 274 2HD2 LEU 28 HD22 LEU 28 8.702 6.027 2.353 275 3HD2 LEU 28 HD23 LEU 28 8.189 5.928 0.668 276 H LYS 29 HN LYS 29 11.191 2.820 1.730 277 HA LYS 29 HA LYS 29 13.708 4.020 2.156 278 1HB LYS 29 HB2 LYS 29 13.578 3.179 4.399 279 2HB LYS 29 HB1 LYS 29 11.973 3.728 3.937 280 1HG LYS 29 HG2 LYS 29 11.279 1.447 3.522 281 2HG LYS 29 HG1 LYS 29 12.902 0.864 3.894 282 1HD LYS 29 HD2 LYS 29 11.523 2.530 5.931 283 2HD LYS 29 HD1 LYS 29 10.959 0.874 5.702 284 1HE LYS 29 HE2 LYS 29 12.567 0.485 7.264 285 2HE LYS 29 HE1 LYS 29 13.563 0.377 5.815 286 1HZ LYS 29 HZ1 LYS 29 13.238 3.006 7.058 287 2HZ LYS 29 HZ2 LYS 29 14.571 2.353 6.247 288 3HZ LYS 29 HZ3 LYS 29 14.239 1.887 7.837 289 H ARG 30 HN ARG 30 12.622 1.057 0.985 290 HA ARG 30 HA ARG 30 15.044 -0.395 1.504 291 1HB ARG 30 HB2 ARG 30 13.886 -2.205 0.735 292 2HB ARG 30 HB1 ARG 30 12.507 -1.197 1.019 293 1HG ARG 30 HG2 ARG 30 11.962 -1.265 -1.116 294 2HG ARG 30 HG1 ARG 30 13.548 -0.730 -1.608 295 1HD ARG 30 HD2 ARG 30 14.170 -3.236 -1.026 296 2HD ARG 30 HD1 ARG 30 12.458 -3.478 -1.368 297 HE ARG 30 HE ARG 30 13.554 -1.977 -3.452 298 1HH1 ARG 30 1HH1 ARG 30 13.805 -5.185 -2.101 299 2HH1 ARG 30 2HH1 ARG 30 14.226 -5.924 -3.610 300 1HH2 ARG 30 1HH2 ARG 30 14.107 -2.949 -5.439 301 2HH2 ARG 30 2HH2 ARG 30 14.398 -4.655 -5.504 302 H TRP 31 HN TRP 31 13.445 1.476 -0.868 303 HA TRP 31 HA TRP 31 15.095 1.120 -3.079 304 1HB TRP 31 HB2 TRP 31 12.735 2.419 -2.358 305 2HB TRP 31 HB1 TRP 31 13.787 3.645 -2.947 306 HD1 TRP 31 HD1 TRP 31 11.844 0.767 -4.010 307 HE1 TRP 31 HE1 TRP 31 11.985 0.531 -6.564 308 HE3 TRP 31 HE3 TRP 31 15.369 4.037 -4.644 309 HZ2 TRP 31 HZ2 TRP 31 13.529 1.712 -8.629 310 HZ3 TRP 31 HZ3 TRP 31 16.261 4.554 -6.941 311 HH2 TRP 31 HH2 TRP 31 15.339 3.386 -8.902 312 H ARG 32 HN ARG 32 14.852 3.449 -0.378 313 HA ARG 32 HA ARG 32 16.943 5.182 -1.114 314 1HB ARG 32 HB2 ARG 32 15.880 4.191 1.494 315 2HB ARG 32 HB1 ARG 32 16.978 5.572 1.364 316 1HG ARG 32 HG2 ARG 32 15.321 6.742 0.013 317 2HG ARG 32 HG1 ARG 32 14.237 5.371 0.134 318 1HD ARG 32 HD2 ARG 32 13.844 5.696 2.371 319 2HD ARG 32 HD1 ARG 32 15.296 6.661 2.598 320 HE ARG 32 HE ARG 32 13.699 8.094 0.869 321 1HH1 ARG 32 1HH1 ARG 32 13.434 6.868 4.126 322 2HH1 ARG 32 2HH1 ARG 32 12.381 8.138 4.652 323 1HH2 ARG 32 1HH2 ARG 32 12.315 9.767 1.560 324 2HH2 ARG 32 2HH2 ARG 32 11.746 9.784 3.196 325 H LEU 33 HN LEU 33 16.740 2.341 0.845 326 HA LEU 33 HA LEU 33 19.354 1.978 1.678 327 1HB LEU 33 HB2 LEU 33 16.830 0.458 1.344 328 2HB LEU 33 HB1 LEU 33 18.248 -0.409 1.777 329 HG LEU 33 HG LEU 33 16.474 0.813 3.441 330 1HD1 LEU 33 HD11 LEU 33 19.315 0.004 4.039 331 2HD1 LEU 33 HD12 LEU 33 17.900 -1.049 4.076 332 3HD1 LEU 33 HD13 LEU 33 18.056 0.260 5.247 333 1HD2 LEU 33 HD21 LEU 33 17.567 2.947 2.696 334 2HD2 LEU 33 HD22 LEU 33 18.985 2.423 3.604 335 3HD2 LEU 33 HD23 LEU 33 17.454 2.691 4.441 336 H PHE 34 HN PHE 34 17.476 0.889 -0.959 337 HA PHE 34 HA PHE 34 19.447 -0.871 -2.062 338 1HB PHE 34 HB2 PHE 34 16.727 -0.109 -2.616 339 2HB PHE 34 HB1 PHE 34 17.652 -0.427 -4.055 340 HD1 PHE 34 HD1 PHE 34 18.095 -1.828 -0.769 341 HD2 PHE 34 HD2 PHE 34 16.755 -2.482 -4.725 342 HE1 PHE 34 HE1 PHE 34 17.930 -4.226 -0.303 343 HE2 PHE 34 HE2 PHE 34 16.570 -4.880 -4.288 344 HZ PHE 34 HZ PHE 34 17.156 -5.784 -2.062 345 H SER 35 HN SER 35 18.663 2.348 -2.103 346 HA SER 35 HA SER 35 20.222 2.880 -4.571 347 1HB SER 35 HB2 SER 35 17.996 4.213 -3.504 348 2HB SER 35 HB1 SER 35 19.356 5.303 -3.251 349 HG SER 35 HG SER 35 19.137 5.766 -5.274 350 H LYS 36 HN LYS 36 20.410 3.234 -1.102 351 HA LYS 36 HA LYS 36 22.732 4.929 -1.213 352 1HB LYS 36 HB2 LYS 36 22.526 5.148 1.043 353 2HB LYS 36 HB1 LYS 36 20.897 4.611 0.676 354 1HG LYS 36 HG2 LYS 36 21.354 2.411 1.433 355 2HG LYS 36 HG1 LYS 36 23.087 2.734 1.528 356 1HD LYS 36 HD2 LYS 36 22.015 2.756 3.741 357 2HD LYS 36 HD1 LYS 36 22.721 4.319 3.327 358 1HE LYS 36 HE2 LYS 36 19.892 3.915 2.580 359 2HE LYS 36 HE1 LYS 36 20.236 4.024 4.305 360 1HZ LYS 36 HZ1 LYS 36 21.261 6.147 3.978 361 2HZ LYS 36 HZ2 LYS 36 19.727 6.185 3.265 362 3HZ LYS 36 HZ3 LYS 36 21.105 6.030 2.296 363 H HIS 37 HN HIS 37 22.109 1.577 -1.202 364 HA HIS 37 HA HIS 37 24.716 0.745 -0.365 365 1HB HIS 37 HB2 HIS 37 22.188 -0.498 -0.983 366 2HB HIS 37 HB1 HIS 37 23.500 -1.352 -1.772 367 HD1 HIS 37 HD1 HIS 37 24.480 -3.140 -0.373 368 HD2 HIS 37 HD2 HIS 37 22.890 -0.066 1.925 369 HE1 HIS 37 HE1 HIS 37 24.803 -3.853 2.016 370 HE2 HIS 37 HE2 HIS 37 23.921 -1.934 3.390 371 H GLU 38 HN GLU 38 23.009 0.801 -3.481 372 HA GLU 38 HA GLU 38 25.473 0.181 -4.883 373 1HB GLU 38 HB2 GLU 38 22.589 0.155 -5.516 374 2HB GLU 38 HB1 GLU 38 23.647 0.601 -6.845 375 1HG GLU 38 HG2 GLU 38 24.962 -1.505 -6.290 376 2HG GLU 38 HG1 GLU 38 23.584 -1.958 -5.289 Start of MODEL 3 1 1H VAL 1 HT1 VAL 1 -29.019 -4.815 4.666 2 2H VAL 1 HT2 VAL 1 -29.270 -5.693 6.119 3 3H VAL 1 HT3 VAL 1 -27.675 -5.371 5.573 4 HA VAL 1 HA VAL 1 -29.656 -3.550 6.718 5 HB VAL 1 HB VAL 1 -26.772 -3.424 7.380 6 1HG1 VAL 1 HG11 VAL 1 -28.674 -3.689 9.553 7 2HG1 VAL 1 HG12 VAL 1 -29.139 -2.424 8.416 8 3HG1 VAL 1 HG13 VAL 1 -27.554 -2.378 9.186 9 1HG2 VAL 1 HG21 VAL 1 -26.780 -5.745 7.433 10 2HG2 VAL 1 HG22 VAL 1 -28.462 -5.829 7.954 11 3HG2 VAL 1 HG23 VAL 1 -27.212 -5.320 9.089 12 H MET 2 HN MET 2 -28.484 -1.284 7.001 13 HA MET 2 HA MET 2 -28.232 -0.227 4.389 14 1HB MET 2 HB2 MET 2 -28.362 0.778 7.160 15 2HB MET 2 HB1 MET 2 -27.522 1.799 6.019 16 1HG MET 2 HG2 MET 2 -30.165 0.724 5.244 17 2HG MET 2 HG1 MET 2 -30.108 2.014 6.444 18 1HE MET 2 HE1 MET 2 -27.854 2.680 2.496 19 2HE MET 2 HE2 MET 2 -28.521 1.091 2.870 20 3HE MET 2 HE3 MET 2 -27.275 1.788 3.905 21 HA PRO 3 HA PRO 3 -23.652 0.372 5.517 22 1HB PRO 3 HB2 PRO 3 -22.734 0.012 7.960 23 2HB PRO 3 HB1 PRO 3 -23.936 1.274 7.705 24 1HG PRO 3 HG2 PRO 3 -24.363 -1.537 8.655 25 2HG PRO 3 HG1 PRO 3 -24.891 -0.024 9.428 26 1HD PRO 3 HD2 PRO 3 -26.486 -1.509 7.748 27 2HD PRO 3 HD1 PRO 3 -26.657 0.245 7.969 28 H LYS 4 HN LYS 4 -21.822 -1.383 7.057 29 HA LYS 4 HA LYS 4 -20.879 -3.439 7.068 30 1HB LYS 4 HB2 LYS 4 -23.247 -4.189 7.559 31 2HB LYS 4 HB1 LYS 4 -23.411 -4.515 5.841 32 1HG LYS 4 HG2 LYS 4 -21.020 -5.750 6.758 33 2HG LYS 4 HG1 LYS 4 -22.334 -6.183 7.854 34 1HD LYS 4 HD2 LYS 4 -22.338 -7.830 6.160 35 2HD LYS 4 HD1 LYS 4 -23.685 -6.752 5.785 36 1HE LYS 4 HE2 LYS 4 -22.284 -5.580 4.152 37 2HE LYS 4 HE1 LYS 4 -20.946 -6.666 4.524 38 1HZ LYS 4 HZ1 LYS 4 -21.767 -7.815 2.797 39 2HZ LYS 4 HZ2 LYS 4 -23.308 -7.126 2.910 40 3HZ LYS 4 HZ3 LYS 4 -22.878 -8.409 3.926 41 H GLN 5 HN GLN 5 -22.475 -2.315 4.154 42 HA GLN 5 HA GLN 5 -20.660 -3.898 2.530 43 1HB GLN 5 HB2 GLN 5 -22.413 -3.927 1.110 44 2HB GLN 5 HB1 GLN 5 -23.298 -2.898 2.218 45 1HG GLN 5 HG2 GLN 5 -23.400 -1.691 0.307 46 2HG GLN 5 HG1 GLN 5 -22.004 -0.966 1.059 47 1HE2 GLN 5 HE21 GLN 5 -20.249 -3.123 0.376 48 2HE2 GLN 5 HE22 GLN 5 -20.045 -3.053 -1.317 49 H ILE 6 HN ILE 6 -21.195 -0.732 3.698 50 HA ILE 6 HA ILE 6 -19.247 0.475 1.971 51 HB ILE 6 HB ILE 6 -19.666 2.454 3.590 52 1HG1 ILE 6 HG12 ILE 6 -21.890 2.539 4.550 53 2HG1 ILE 6 HG11 ILE 6 -22.228 0.907 4.037 54 1HG2 ILE 6 HG21 ILE 6 -21.747 1.518 1.651 55 2HG2 ILE 6 HG22 ILE 6 -20.238 2.336 1.238 56 3HG2 ILE 6 HG23 ILE 6 -21.480 3.187 2.162 57 1HD1 ILE 6 HD11 ILE 6 -19.844 1.269 5.729 58 2HD1 ILE 6 HD12 ILE 6 -21.083 0.012 5.767 59 3HD1 ILE 6 HD13 ILE 6 -21.400 1.585 6.496 60 H VAL 7 HN VAL 7 -19.578 -0.931 5.106 61 HA VAL 7 HA VAL 7 -17.205 0.142 6.279 62 HB VAL 7 HB VAL 7 -19.383 -0.914 7.378 63 1HG1 VAL 7 HG11 VAL 7 -19.060 -3.136 6.382 64 2HG1 VAL 7 HG12 VAL 7 -19.055 -3.188 8.143 65 3HG1 VAL 7 HG13 VAL 7 -17.536 -3.294 7.253 66 1HG2 VAL 7 HG21 VAL 7 -17.428 0.169 8.451 67 2HG2 VAL 7 HG22 VAL 7 -16.681 -1.423 8.564 68 3HG2 VAL 7 HG23 VAL 7 -18.193 -1.094 9.410 69 H TYR 8 HN TYR 8 -18.277 -2.720 4.638 70 HA TYR 8 HA TYR 8 -15.970 -4.342 4.751 71 1HB TYR 8 HB2 TYR 8 -18.491 -4.507 3.595 72 2HB TYR 8 HB1 TYR 8 -17.405 -4.441 2.211 73 HD1 TYR 8 HD1 TYR 8 -16.974 -5.906 5.573 74 HD2 TYR 8 HD2 TYR 8 -17.203 -6.612 1.404 75 HE1 TYR 8 HE1 TYR 8 -16.324 -8.142 5.941 76 HE2 TYR 8 HE2 TYR 8 -16.565 -8.909 1.756 77 HH TYR 8 HH TYR 8 -16.664 -10.442 4.672 78 H TRP 9 HN TRP 9 -17.226 -1.951 2.494 79 HA TRP 9 HA TRP 9 -15.118 -1.932 0.615 80 1HB TRP 9 HB2 TRP 9 -17.408 -0.240 1.371 81 2HB TRP 9 HB1 TRP 9 -16.036 0.673 0.743 82 HD1 TRP 9 HD1 TRP 9 -18.969 -1.107 -0.380 83 HE1 TRP 9 HE1 TRP 9 -18.769 -1.497 -2.950 84 HE3 TRP 9 HE3 TRP 9 -14.169 -0.001 -0.931 85 HZ2 TRP 9 HZ2 TRP 9 -16.801 -1.336 -4.924 86 HZ3 TRP 9 HZ3 TRP 9 -13.128 -0.109 -3.168 87 HH2 TRP 9 HH2 TRP 9 -14.453 -0.778 -5.123 88 H LYS 10 HN LYS 10 -16.000 0.301 3.059 89 HA LYS 10 HA LYS 10 -13.794 1.906 3.239 90 1HB LYS 10 HB2 LYS 10 -15.787 2.472 4.411 91 2HB LYS 10 HB1 LYS 10 -15.739 0.984 5.343 92 1HG LYS 10 HG2 LYS 10 -13.366 2.159 5.987 93 2HG LYS 10 HG1 LYS 10 -14.451 3.538 5.825 94 1HD LYS 10 HD2 LYS 10 -15.911 2.715 7.477 95 2HD LYS 10 HD1 LYS 10 -15.191 1.104 7.419 96 1HE LYS 10 HE2 LYS 10 -13.342 3.282 8.119 97 2HE LYS 10 HE1 LYS 10 -14.618 2.976 9.296 98 1HZ LYS 10 HZ1 LYS 10 -12.718 1.648 9.830 99 2HZ LYS 10 HZ2 LYS 10 -12.649 1.006 8.266 100 3HZ LYS 10 HZ3 LYS 10 -13.944 0.619 9.283 101 H GLN 11 HN GLN 11 -14.391 -1.076 5.113 102 HA GLN 11 HA GLN 11 -11.821 -0.944 6.364 103 1HB GLN 11 HB2 GLN 11 -12.362 -3.009 7.380 104 2HB GLN 11 HB1 GLN 11 -13.877 -2.133 7.284 105 1HG GLN 11 HG2 GLN 11 -14.560 -3.430 5.382 106 2HG GLN 11 HG1 GLN 11 -12.994 -4.216 5.311 107 1HE2 GLN 11 HE21 GLN 11 -13.469 -4.041 8.539 108 2HE2 GLN 11 HE22 GLN 11 -14.315 -5.522 8.791 109 H TRP 12 HN TRP 12 -12.506 -1.410 3.298 110 HA TRP 12 HA TRP 12 -10.316 -3.325 2.837 111 1HB TRP 12 HB2 TRP 12 -12.659 -3.774 1.902 112 2HB TRP 12 HB1 TRP 12 -12.376 -2.473 0.808 113 HD1 TRP 12 HD1 TRP 12 -11.720 -6.030 1.252 114 HE1 TRP 12 HE1 TRP 12 -10.138 -6.849 -0.587 115 HE3 TRP 12 HE3 TRP 12 -10.461 -1.592 -0.515 116 HZ2 TRP 12 HZ2 TRP 12 -8.544 -5.686 -2.611 117 HZ3 TRP 12 HZ3 TRP 12 -8.887 -1.406 -2.448 118 HH2 TRP 12 HH2 TRP 12 -7.940 -3.465 -3.477 119 H LEU 13 HN LEU 13 -11.587 -0.114 1.960 120 HA LEU 13 HA LEU 13 -9.115 0.389 0.478 121 1HB LEU 13 HB2 LEU 13 -11.351 0.950 -0.532 122 2HB LEU 13 HB1 LEU 13 -11.555 2.156 0.724 123 HG LEU 13 HG LEU 13 -9.123 2.858 -0.312 124 1HD1 LEU 13 HD11 LEU 13 -8.916 2.441 -2.515 125 2HD1 LEU 13 HD12 LEU 13 -10.655 2.504 -2.802 126 3HD1 LEU 13 HD13 LEU 13 -9.924 1.045 -2.133 127 1HD2 LEU 13 HD21 LEU 13 -10.358 4.671 -1.433 128 2HD2 LEU 13 HD22 LEU 13 -10.924 4.387 0.213 129 3HD2 LEU 13 HD23 LEU 13 -11.863 3.793 -1.157 130 H SER 14 HN SER 14 -10.293 0.700 3.581 131 HA SER 14 HA SER 14 -8.938 3.210 4.106 132 1HB SER 14 HB2 SER 14 -11.105 2.048 5.325 133 2HB SER 14 HB1 SER 14 -9.808 1.624 6.429 134 HG SER 14 HG SER 14 -9.755 3.614 7.076 135 H LEU 15 HN LEU 15 -8.679 -0.197 4.866 136 HA LEU 15 HA LEU 15 -6.147 0.144 6.155 137 1HB LEU 15 HB2 LEU 15 -7.603 -2.378 5.393 138 2HB LEU 15 HB1 LEU 15 -6.272 -2.229 6.519 139 HG LEU 15 HG LEU 15 -8.069 -2.363 7.955 140 1HD1 LEU 15 HD11 LEU 15 -8.485 -0.162 8.876 141 2HD1 LEU 15 HD12 LEU 15 -7.939 0.590 7.374 142 3HD1 LEU 15 HD13 LEU 15 -6.791 -0.287 8.391 143 1HD2 LEU 15 HD21 LEU 15 -9.448 -1.534 5.618 144 2HD2 LEU 15 HD22 LEU 15 -9.988 -0.546 6.984 145 3HD2 LEU 15 HD23 LEU 15 -10.095 -2.306 7.072 146 H ARG 16 HN ARG 16 -7.282 -1.747 3.391 147 HA ARG 16 HA ARG 16 -4.856 -2.540 2.377 148 1HB ARG 16 HB2 ARG 16 -7.418 -1.839 1.039 149 2HB ARG 16 HB1 ARG 16 -6.034 -2.259 0.065 150 1HG ARG 16 HG2 ARG 16 -7.442 -3.963 2.096 151 2HG ARG 16 HG1 ARG 16 -7.351 -4.216 0.352 152 1HD ARG 16 HD2 ARG 16 -4.811 -4.348 0.713 153 2HD ARG 16 HD1 ARG 16 -5.203 -4.545 2.421 154 HE ARG 16 HE ARG 16 -6.734 -6.421 1.216 155 1HH1 ARG 16 1HH1 ARG 16 -3.331 -5.661 1.062 156 2HH1 ARG 16 2HH1 ARG 16 -2.854 -7.294 0.742 157 1HH2 ARG 16 1HH2 ARG 16 -6.107 -8.569 0.795 158 2HH2 ARG 16 2HH2 ARG 16 -4.428 -8.946 0.591 159 H ASN 17 HN ASN 17 -6.232 0.580 2.306 160 HA ASN 17 HA ASN 17 -4.732 1.753 0.264 161 1HB ASN 17 HB2 ASN 17 -6.571 2.544 2.326 162 2HB ASN 17 HB1 ASN 17 -5.331 3.723 2.127 163 1HD2 ASN 17 HD21 ASN 17 -7.416 4.851 1.538 164 2HD2 ASN 17 HD22 ASN 17 -7.806 4.864 -0.136 165 HA PRO 18 HA PRO 18 -1.750 3.687 3.468 166 1HB PRO 18 HB2 PRO 18 -1.981 2.715 6.045 167 2HB PRO 18 HB1 PRO 18 -2.574 4.277 5.478 168 1HG PRO 18 HG2 PRO 18 -4.023 1.690 5.722 169 2HG PRO 18 HG1 PRO 18 -4.566 3.323 6.155 170 1HD PRO 18 HD2 PRO 18 -5.390 2.231 3.901 171 2HD PRO 18 HD1 PRO 18 -4.884 3.928 3.921 172 H ILE 19 HN ILE 19 -2.838 0.481 3.507 173 HA ILE 19 HA ILE 19 -0.455 -0.701 4.543 174 HB ILE 19 HB ILE 19 -2.795 -1.877 3.080 175 1HG1 ILE 19 HG12 ILE 19 -1.884 -1.657 5.918 176 2HG1 ILE 19 HG11 ILE 19 -3.475 -1.376 5.242 177 1HG2 ILE 19 HG21 ILE 19 -0.842 -3.206 2.490 178 2HG2 ILE 19 HG22 ILE 19 -1.876 -4.100 3.602 179 3HG2 ILE 19 HG23 ILE 19 -0.398 -3.339 4.192 180 1HD1 ILE 19 HD11 ILE 19 -2.194 -4.062 5.662 181 2HD1 ILE 19 HD12 ILE 19 -3.793 -3.781 4.972 182 3HD1 ILE 19 HD13 ILE 19 -3.467 -3.343 6.649 183 H LEU 20 HN LEU 20 -1.656 -0.096 1.344 184 HA LEU 20 HA LEU 20 0.418 -1.460 -0.038 185 1HB LEU 20 HB2 LEU 20 -0.351 -0.436 -2.032 186 2HB LEU 20 HB1 LEU 20 -1.761 -0.856 -1.086 187 HG LEU 20 HG LEU 20 -1.030 1.831 -0.468 188 1HD1 LEU 20 HD11 LEU 20 -1.612 1.511 -3.386 189 2HD1 LEU 20 HD12 LEU 20 0.047 1.571 -2.789 190 3HD1 LEU 20 HD13 LEU 20 -1.040 2.934 -2.516 191 1HD2 LEU 20 HD21 LEU 20 -3.283 2.267 -1.089 192 2HD2 LEU 20 HD22 LEU 20 -3.219 0.701 -0.278 193 3HD2 LEU 20 HD23 LEU 20 -3.363 0.778 -2.035 194 H VAL 21 HN VAL 21 -0.186 1.740 1.102 195 HA VAL 21 HA VAL 21 1.980 3.147 0.129 196 HB VAL 21 HB VAL 21 0.291 3.148 2.549 197 1HG1 VAL 21 HG11 VAL 21 1.457 4.918 3.564 198 2HG1 VAL 21 HG12 VAL 21 2.499 5.124 2.153 199 3HG1 VAL 21 HG13 VAL 21 2.641 3.673 3.152 200 1HG2 VAL 21 HG21 VAL 21 0.745 5.185 0.378 201 2HG2 VAL 21 HG22 VAL 21 -0.423 5.327 1.695 202 3HG2 VAL 21 HG23 VAL 21 -0.600 4.046 0.488 203 H PHE 22 HN PHE 22 1.396 1.389 3.104 204 HA PHE 22 HA PHE 22 3.832 1.602 4.394 205 1HB PHE 22 HB2 PHE 22 2.369 0.630 5.790 206 2HB PHE 22 HB1 PHE 22 1.420 -0.013 4.470 207 HD1 PHE 22 HD1 PHE 22 4.654 -0.493 6.081 208 HD2 PHE 22 HD2 PHE 22 1.296 -2.168 4.191 209 HE1 PHE 22 HE1 PHE 22 5.583 -2.729 6.480 210 HE2 PHE 22 HE2 PHE 22 2.173 -4.436 4.569 211 HZ PHE 22 HZ PHE 22 4.341 -4.725 5.710 212 H LEU 23 HN LEU 23 2.765 -0.358 1.749 213 HA LEU 23 HA LEU 23 5.232 -2.007 1.849 214 1HB LEU 23 HB2 LEU 23 2.999 -1.898 -0.164 215 2HB LEU 23 HB1 LEU 23 4.406 -2.930 -0.339 216 HG LEU 23 HG LEU 23 3.470 -3.601 2.163 217 1HD1 LEU 23 HD11 LEU 23 1.482 -2.130 1.084 218 2HD1 LEU 23 HD12 LEU 23 1.247 -3.398 2.299 219 3HD1 LEU 23 HD13 LEU 23 1.009 -3.759 0.586 220 1HD2 LEU 23 HD21 LEU 23 3.327 -5.667 1.254 221 2HD2 LEU 23 HD22 LEU 23 4.094 -4.885 -0.128 222 3HD2 LEU 23 HD23 LEU 23 2.346 -5.117 -0.105 223 H LYS 24 HN LYS 24 3.899 0.664 0.194 224 HA LYS 24 HA LYS 24 5.710 0.867 -1.935 225 1HB LYS 24 HB2 LYS 24 3.472 2.239 -0.842 226 2HB LYS 24 HB1 LYS 24 4.696 3.411 -1.209 227 1HG LYS 24 HG2 LYS 24 3.973 3.329 -3.310 228 2HG LYS 24 HG1 LYS 24 4.624 1.689 -3.377 229 1HD LYS 24 HD2 LYS 24 2.351 1.133 -2.156 230 2HD LYS 24 HD1 LYS 24 1.827 2.596 -3.000 231 1HE LYS 24 HE2 LYS 24 3.078 0.164 -4.277 232 2HE LYS 24 HE1 LYS 24 1.367 0.586 -4.320 233 1HZ LYS 24 HZ1 LYS 24 3.201 2.633 -5.255 234 2HZ LYS 24 HZ2 LYS 24 1.704 2.154 -5.877 235 3HZ LYS 24 HZ3 LYS 24 3.092 1.253 -6.226 236 H THR 25 HN THR 25 5.561 2.214 1.253 237 HA THR 25 HA THR 25 7.867 3.822 1.064 238 HB THR 25 HB THR 25 6.262 4.453 2.687 239 HG1 THR 25 HG1 THR 25 8.545 4.416 3.387 240 1HG2 THR 25 HG21 THR 25 5.082 3.129 4.054 241 2HG2 THR 25 HG22 THR 25 6.455 2.076 4.396 242 3HG2 THR 25 HG23 THR 25 5.541 1.877 2.898 243 H ARG 26 HN ARG 26 7.155 0.609 2.425 244 HA ARG 26 HA ARG 26 9.665 0.091 3.544 245 1HB ARG 26 HB2 ARG 26 7.578 -1.651 2.269 246 2HB ARG 26 HB1 ARG 26 9.053 -2.341 2.935 247 1HG ARG 26 HG2 ARG 26 6.810 -0.972 4.359 248 2HG ARG 26 HG1 ARG 26 7.499 -2.559 4.647 249 1HD ARG 26 HD2 ARG 26 9.618 -1.372 5.331 250 2HD ARG 26 HD1 ARG 26 8.686 0.124 5.278 251 HE ARG 26 HE ARG 26 8.557 -1.942 7.288 252 1HH1 ARG 26 1HH1 ARG 26 6.910 0.767 5.827 253 2HH1 ARG 26 2HH1 ARG 26 5.916 1.070 7.213 254 1HH2 ARG 26 1HH2 ARG 26 7.250 -1.544 9.110 255 2HH2 ARG 26 2HH2 ARG 26 6.109 -0.242 9.076 256 H VAL 27 HN VAL 27 8.447 -0.290 0.307 257 HA VAL 27 HA VAL 27 10.777 -1.436 -0.872 258 HB VAL 27 HB VAL 27 8.120 -0.441 -1.686 259 1HG1 VAL 27 HG11 VAL 27 10.443 -0.524 -3.567 260 2HG1 VAL 27 HG12 VAL 27 9.297 0.782 -3.272 261 3HG1 VAL 27 HG13 VAL 27 8.770 -0.677 -4.110 262 1HG2 VAL 27 HG21 VAL 27 8.068 -2.585 -2.890 263 2HG2 VAL 27 HG22 VAL 27 8.465 -2.780 -1.182 264 3HG2 VAL 27 HG23 VAL 27 9.736 -2.883 -2.401 265 H LEU 28 HN LEU 28 9.717 1.711 -0.069 266 HA LEU 28 HA LEU 28 11.275 3.166 -1.947 267 1HB LEU 28 HB2 LEU 28 9.886 4.832 -1.378 268 2HB LEU 28 HB1 LEU 28 8.981 3.628 -0.536 269 HG LEU 28 HG LEU 28 10.092 4.197 1.544 270 1HD1 LEU 28 HD11 LEU 28 11.866 5.661 -0.214 271 2HD1 LEU 28 HD12 LEU 28 12.094 5.162 1.461 272 3HD1 LEU 28 HD13 LEU 28 11.257 6.670 1.097 273 1HD2 LEU 28 HD21 LEU 28 9.269 6.878 0.708 274 2HD2 LEU 28 HD22 LEU 28 8.613 5.827 1.964 275 3HD2 LEU 28 HD23 LEU 28 8.127 5.603 0.284 276 H LYS 29 HN LYS 29 11.148 2.622 1.479 277 HA LYS 29 HA LYS 29 13.574 3.926 2.090 278 1HB LYS 29 HB2 LYS 29 13.337 3.122 4.303 279 2HB LYS 29 HB1 LYS 29 11.701 3.406 3.732 280 1HG LYS 29 HG2 LYS 29 11.365 1.052 3.370 281 2HG LYS 29 HG1 LYS 29 13.050 0.714 3.771 282 1HD LYS 29 HD2 LYS 29 12.178 2.112 5.965 283 2HD LYS 29 HD1 LYS 29 10.755 1.169 5.521 284 1HE LYS 29 HE2 LYS 29 11.932 -0.213 6.996 285 2HE LYS 29 HE1 LYS 29 12.341 -0.831 5.396 286 1HZ LYS 29 HZ1 LYS 29 14.178 -0.380 7.187 287 2HZ LYS 29 HZ2 LYS 29 14.087 1.199 6.586 288 3HZ LYS 29 HZ3 LYS 29 14.471 -0.080 5.547 289 H ARG 30 HN ARG 30 12.710 0.886 0.904 290 HA ARG 30 HA ARG 30 15.171 -0.440 1.457 291 1HB ARG 30 HB2 ARG 30 12.641 -0.998 0.032 292 2HB ARG 30 HB1 ARG 30 14.019 -1.971 -0.399 293 1HG ARG 30 HG2 ARG 30 13.720 -1.734 2.451 294 2HG ARG 30 HG1 ARG 30 12.256 -2.345 1.695 295 1HD ARG 30 HD2 ARG 30 15.033 -3.496 1.493 296 2HD ARG 30 HD1 ARG 30 13.635 -4.222 2.283 297 HE ARG 30 HE ARG 30 12.873 -3.871 -0.324 298 1HH1 ARG 30 1HH1 ARG 30 15.476 -5.534 1.300 299 2HH1 ARG 30 2HH1 ARG 30 15.616 -6.761 0.085 300 1HH2 ARG 30 1HH2 ARG 30 13.057 -5.482 -1.922 301 2HH2 ARG 30 2HH2 ARG 30 14.243 -6.732 -1.745 302 H TRP 31 HN TRP 31 13.663 1.446 -0.983 303 HA TRP 31 HA TRP 31 15.447 1.038 -3.113 304 1HB TRP 31 HB2 TRP 31 12.972 2.248 -2.577 305 2HB TRP 31 HB1 TRP 31 14.004 3.476 -3.194 306 HD1 TRP 31 HD1 TRP 31 12.273 0.425 -4.151 307 HE1 TRP 31 HE1 TRP 31 12.537 0.052 -6.679 308 HE3 TRP 31 HE3 TRP 31 15.612 3.873 -4.840 309 HZ2 TRP 31 HZ2 TRP 31 14.095 1.208 -8.748 310 HZ3 TRP 31 HZ3 TRP 31 16.570 4.313 -7.126 311 HH2 TRP 31 HH2 TRP 31 15.810 2.977 -9.050 312 H ARG 32 HN ARG 32 14.847 3.349 -0.496 313 HA ARG 32 HA ARG 32 16.824 5.250 -1.041 314 1HB ARG 32 HB2 ARG 32 15.624 4.165 1.480 315 2HB ARG 32 HB1 ARG 32 16.547 5.668 1.404 316 1HG ARG 32 HG2 ARG 32 14.088 5.217 -0.254 317 2HG ARG 32 HG1 ARG 32 14.014 5.839 1.374 318 1HD ARG 32 HD2 ARG 32 15.747 7.019 -0.741 319 2HD ARG 32 HD1 ARG 32 14.064 7.496 -0.548 320 HE ARG 32 HE ARG 32 16.283 8.218 1.148 321 1HH1 ARG 32 1HH1 ARG 32 12.814 7.898 0.928 322 2HH1 ARG 32 2HH1 ARG 32 12.504 9.024 2.206 323 1HH2 ARG 32 1HH2 ARG 32 15.876 9.700 2.831 324 2HH2 ARG 32 2HH2 ARG 32 14.242 10.047 3.286 325 H LEU 33 HN LEU 33 16.677 2.478 1.042 326 HA LEU 33 HA LEU 33 19.227 2.297 2.044 327 1HB LEU 33 HB2 LEU 33 16.870 0.580 1.527 328 2HB LEU 33 HB1 LEU 33 18.312 -0.179 2.067 329 HG LEU 33 HG LEU 33 16.338 0.911 3.601 330 1HD1 LEU 33 HD11 LEU 33 17.727 0.374 5.500 331 2HD1 LEU 33 HD12 LEU 33 19.171 0.400 4.489 332 3HD1 LEU 33 HD13 LEU 33 17.952 -0.853 4.254 333 1HD2 LEU 33 HD21 LEU 33 17.097 2.859 4.639 334 2HD2 LEU 33 HD22 LEU 33 17.357 3.113 2.911 335 3HD2 LEU 33 HD23 LEU 33 18.714 2.686 3.951 336 H PHE 34 HN PHE 34 17.694 1.022 -0.736 337 HA PHE 34 HA PHE 34 19.847 -0.581 -1.654 338 1HB PHE 34 HB2 PHE 34 17.214 0.159 -2.538 339 2HB PHE 34 HB1 PHE 34 18.321 -0.077 -3.856 340 HD1 PHE 34 HD1 PHE 34 17.520 -2.098 -4.727 341 HD2 PHE 34 HD2 PHE 34 18.400 -1.644 -0.617 342 HE1 PHE 34 HE1 PHE 34 17.323 -4.516 -4.437 343 HE2 PHE 34 HE2 PHE 34 18.214 -4.062 -0.295 344 HZ PHE 34 HZ PHE 34 17.666 -5.532 -2.208 345 H SER 35 HN SER 35 18.945 2.612 -1.687 346 HA SER 35 HA SER 35 20.851 3.312 -3.846 347 1HB SER 35 HB2 SER 35 18.425 4.482 -3.152 348 2HB SER 35 HB1 SER 35 19.638 5.622 -2.572 349 HG SER 35 HG SER 35 18.804 5.315 -5.028 350 H LYS 36 HN LYS 36 20.577 3.439 -0.356 351 HA LYS 36 HA LYS 36 22.814 5.261 -0.118 352 1HB LYS 36 HB2 LYS 36 21.688 3.631 2.132 353 2HB LYS 36 HB1 LYS 36 22.522 5.172 2.221 354 1HG LYS 36 HG2 LYS 36 19.711 4.575 1.464 355 2HG LYS 36 HG1 LYS 36 20.330 5.718 2.647 356 1HD LYS 36 HD2 LYS 36 21.148 7.165 0.876 357 2HD LYS 36 HD1 LYS 36 20.623 6.005 -0.344 358 1HE LYS 36 HE2 LYS 36 18.841 7.424 -0.391 359 2HE LYS 36 HE1 LYS 36 18.299 6.324 0.875 360 1HZ LYS 36 HZ1 LYS 36 19.853 8.713 1.598 361 2HZ LYS 36 HZ2 LYS 36 18.713 7.861 2.511 362 3HZ LYS 36 HZ3 LYS 36 18.204 8.868 1.252 363 H HIS 37 HN HIS 37 22.168 1.881 0.328 364 HA HIS 37 HA HIS 37 24.735 1.169 1.290 365 1HB HIS 37 HB2 HIS 37 22.275 -0.170 0.686 366 2HB HIS 37 HB1 HIS 37 23.600 -1.056 -0.040 367 HD1 HIS 37 HD1 HIS 37 24.605 -2.736 1.475 368 HD2 HIS 37 HD2 HIS 37 22.921 0.435 3.565 369 HE1 HIS 37 HE1 HIS 37 24.905 -3.302 3.907 370 HE2 HIS 37 HE2 HIS 37 23.808 -1.406 5.153 371 H GLU 38 HN GLU 38 23.421 1.592 -1.920 372 HA GLU 38 HA GLU 38 25.791 0.426 -3.140 373 1HB GLU 38 HB2 GLU 38 23.069 1.172 -4.054 374 2HB GLU 38 HB1 GLU 38 24.360 1.279 -5.236 375 1HG GLU 38 HG2 GLU 38 24.787 -0.999 -5.169 376 2HG GLU 38 HG1 GLU 38 23.999 -1.194 -3.603 Start of MODEL 4 1 1H VAL 1 HT1 VAL 1 -27.309 1.482 -0.819 2 2H VAL 1 HT2 VAL 1 -26.413 2.580 -1.784 3 3H VAL 1 HT3 VAL 1 -26.447 2.764 -0.078 4 HA VAL 1 HA VAL 1 -25.162 0.663 -1.675 5 HB VAL 1 HB VAL 1 -23.166 1.356 -0.385 6 1HG1 VAL 1 HG11 VAL 1 -23.272 3.846 -1.426 7 2HG1 VAL 1 HG12 VAL 1 -24.593 3.072 -2.302 8 3HG1 VAL 1 HG13 VAL 1 -22.969 2.390 -2.374 9 1HG2 VAL 1 HG21 VAL 1 -24.813 3.703 0.539 10 2HG2 VAL 1 HG22 VAL 1 -23.147 3.315 0.972 11 3HG2 VAL 1 HG23 VAL 1 -24.468 2.295 1.542 12 H MET 2 HN MET 2 -24.689 -1.258 -0.728 13 HA MET 2 HA MET 2 -26.148 -2.061 1.531 14 1HB MET 2 HB2 MET 2 -24.301 -3.254 -0.410 15 2HB MET 2 HB1 MET 2 -24.295 -4.014 1.164 16 1HG MET 2 HG2 MET 2 -26.726 -4.316 1.013 17 2HG MET 2 HG1 MET 2 -26.689 -3.580 -0.588 18 1HE MET 2 HE1 MET 2 -25.366 -4.450 -2.535 19 2HE MET 2 HE2 MET 2 -26.906 -5.301 -2.654 20 3HE MET 2 HE3 MET 2 -25.396 -6.170 -2.925 21 HA PRO 3 HA PRO 3 -23.559 -0.353 4.777 22 1HB PRO 3 HB2 PRO 3 -24.409 -2.425 6.528 23 2HB PRO 3 HB1 PRO 3 -25.001 -0.772 6.450 24 1HG PRO 3 HG2 PRO 3 -26.124 -3.238 5.268 25 2HG PRO 3 HG1 PRO 3 -26.959 -1.771 5.814 26 1HD PRO 3 HD2 PRO 3 -26.665 -2.314 3.219 27 2HD PRO 3 HD1 PRO 3 -26.534 -0.647 3.822 28 H LYS 4 HN LYS 4 -23.612 -3.669 3.843 29 HA LYS 4 HA LYS 4 -21.092 -4.240 5.212 30 1HB LYS 4 HB2 LYS 4 -22.892 -6.038 3.592 31 2HB LYS 4 HB1 LYS 4 -21.501 -6.560 4.532 32 1HG LYS 4 HG2 LYS 4 -22.603 -5.858 6.585 33 2HG LYS 4 HG1 LYS 4 -23.991 -5.288 5.655 34 1HD LYS 4 HD2 LYS 4 -23.758 -7.846 4.759 35 2HD LYS 4 HD1 LYS 4 -23.223 -8.016 6.432 36 1HE LYS 4 HE2 LYS 4 -25.285 -7.684 7.245 37 2HE LYS 4 HE1 LYS 4 -25.613 -6.364 6.124 38 1HZ LYS 4 HZ1 LYS 4 -26.634 -8.926 6.030 39 2HZ LYS 4 HZ2 LYS 4 -25.534 -8.841 4.748 40 3HZ LYS 4 HZ3 LYS 4 -26.796 -7.720 4.854 41 H GLN 5 HN GLN 5 -22.221 -3.409 2.078 42 HA GLN 5 HA GLN 5 -19.907 -4.549 0.788 43 1HB GLN 5 HB2 GLN 5 -21.350 -4.674 -0.930 44 2HB GLN 5 HB1 GLN 5 -22.532 -3.823 0.040 45 1HG GLN 5 HG2 GLN 5 -22.431 -2.511 -1.799 46 2HG GLN 5 HG1 GLN 5 -21.303 -1.693 -0.750 47 1HE2 GLN 5 HE21 GLN 5 -19.206 -3.622 -1.206 48 2HE2 GLN 5 HE22 GLN 5 -18.697 -3.387 -2.819 49 H ILE 6 HN ILE 6 -20.998 -1.502 1.991 50 HA ILE 6 HA ILE 6 -18.878 -0.086 0.646 51 HB ILE 6 HB ILE 6 -19.697 1.813 2.170 52 1HG1 ILE 6 HG12 ILE 6 -22.032 1.721 2.785 53 2HG1 ILE 6 HG11 ILE 6 -22.156 0.076 2.229 54 1HG2 ILE 6 HG21 ILE 6 -19.893 1.763 -0.216 55 2HG2 ILE 6 HG22 ILE 6 -21.384 2.395 0.492 56 3HG2 ILE 6 HG23 ILE 6 -21.319 0.732 -0.099 57 1HD1 ILE 6 HD11 ILE 6 -21.052 -0.744 4.044 58 2HD1 ILE 6 HD12 ILE 6 -21.822 0.664 4.764 59 3HD1 ILE 6 HD13 ILE 6 -20.123 0.728 4.286 60 H VAL 7 HN VAL 7 -19.586 -1.598 3.665 61 HA VAL 7 HA VAL 7 -17.511 -0.377 5.204 62 HB VAL 7 HB VAL 7 -19.720 -1.591 5.980 63 1HG1 VAL 7 HG11 VAL 7 -19.391 -3.880 6.700 64 2HG1 VAL 7 HG12 VAL 7 -17.766 -3.887 6.013 65 3HG1 VAL 7 HG13 VAL 7 -19.171 -3.760 4.954 66 1HG2 VAL 7 HG21 VAL 7 -17.214 -2.087 7.524 67 2HG2 VAL 7 HG22 VAL 7 -18.831 -1.738 8.133 68 3HG2 VAL 7 HG23 VAL 7 -17.909 -0.484 7.307 69 H TYR 8 HN TYR 8 -18.102 -3.257 3.358 70 HA TYR 8 HA TYR 8 -15.720 -4.714 3.781 71 1HB TYR 8 HB2 TYR 8 -18.010 -4.990 2.212 72 2HB TYR 8 HB1 TYR 8 -16.705 -4.826 1.044 73 HD1 TYR 8 HD1 TYR 8 -16.264 -6.969 0.249 74 HD2 TYR 8 HD2 TYR 8 -16.752 -6.344 4.409 75 HE1 TYR 8 HE1 TYR 8 -15.554 -9.232 0.670 76 HE2 TYR 8 HE2 TYR 8 -16.048 -8.552 4.848 77 HH TYR 8 HH TYR 8 -15.928 -10.762 3.699 78 H TRP 9 HN TRP 9 -16.806 -2.351 1.402 79 HA TRP 9 HA TRP 9 -14.455 -2.087 -0.129 80 1HB TRP 9 HB2 TRP 9 -16.944 -0.582 0.341 81 2HB TRP 9 HB1 TRP 9 -15.561 0.445 -0.038 82 HD1 TRP 9 HD1 TRP 9 -18.182 -1.402 -1.665 83 HE1 TRP 9 HE1 TRP 9 -17.577 -1.671 -4.187 84 HE3 TRP 9 HE3 TRP 9 -13.408 -0.084 -1.436 85 HZ2 TRP 9 HZ2 TRP 9 -15.344 -1.346 -5.830 86 HZ3 TRP 9 HZ3 TRP 9 -12.040 -0.050 -3.487 87 HH2 TRP 9 HH2 TRP 9 -13.021 -0.683 -5.647 88 H LYS 10 HN LYS 10 -15.836 -0.022 2.230 89 HA LYS 10 HA LYS 10 -13.800 1.714 2.783 90 1HB LYS 10 HB2 LYS 10 -15.971 2.105 3.670 91 2HB LYS 10 HB1 LYS 10 -15.964 0.580 4.542 92 1HG LYS 10 HG2 LYS 10 -13.792 1.870 5.575 93 2HG LYS 10 HG1 LYS 10 -14.939 3.182 5.310 94 1HD LYS 10 HD2 LYS 10 -16.559 2.183 6.697 95 2HD LYS 10 HD1 LYS 10 -15.723 0.630 6.685 96 1HE LYS 10 HE2 LYS 10 -14.565 3.135 7.892 97 2HE LYS 10 HE1 LYS 10 -15.506 1.960 8.810 98 1HZ LYS 10 HZ1 LYS 10 -13.828 0.478 8.805 99 2HZ LYS 10 HZ2 LYS 10 -12.867 1.853 8.583 100 3HZ LYS 10 HZ3 LYS 10 -13.293 0.894 7.255 101 H GLN 11 HN GLN 11 -14.438 -1.383 4.450 102 HA GLN 11 HA GLN 11 -12.057 -1.122 6.038 103 1HB GLN 11 HB2 GLN 11 -12.618 -3.229 6.956 104 2HB GLN 11 HB1 GLN 11 -14.150 -2.427 6.677 105 1HG GLN 11 HG2 GLN 11 -14.499 -3.717 4.668 106 2HG GLN 11 HG1 GLN 11 -12.914 -4.448 4.832 107 1HE2 GLN 11 HE21 GLN 11 -13.867 -4.314 7.952 108 2HE2 GLN 11 HE22 GLN 11 -14.694 -5.823 8.072 109 H TRP 12 HN TRP 12 -12.308 -1.534 2.912 110 HA TRP 12 HA TRP 12 -9.991 -3.342 2.695 111 1HB TRP 12 HB2 TRP 12 -12.169 -3.900 1.474 112 2HB TRP 12 HB1 TRP 12 -11.831 -2.566 0.440 113 HD1 TRP 12 HD1 TRP 12 -11.031 -6.088 0.920 114 HE1 TRP 12 HE1 TRP 12 -9.193 -6.785 -0.723 115 HE3 TRP 12 HE3 TRP 12 -9.821 -1.556 -0.633 116 HZ2 TRP 12 HZ2 TRP 12 -7.436 -5.500 -2.525 117 HZ3 TRP 12 HZ3 TRP 12 -8.039 -1.249 -2.357 118 HH2 TRP 12 HH2 TRP 12 -6.859 -3.234 -3.286 119 H LEU 13 HN LEU 13 -11.313 -0.185 1.706 120 HA LEU 13 HA LEU 13 -8.725 0.469 0.523 121 1HB LEU 13 HB2 LEU 13 -10.886 0.948 -0.698 122 2HB LEU 13 HB1 LEU 13 -11.240 2.141 0.539 123 HG LEU 13 HG LEU 13 -8.962 3.182 -0.122 124 1HD1 LEU 13 HD11 LEU 13 -9.496 1.972 -2.789 125 2HD1 LEU 13 HD12 LEU 13 -8.565 1.055 -1.605 126 3HD1 LEU 13 HD13 LEU 13 -8.004 2.643 -2.130 127 1HD2 LEU 13 HD21 LEU 13 -10.744 4.533 -0.596 128 2HD2 LEU 13 HD22 LEU 13 -11.562 3.304 -1.562 129 3HD2 LEU 13 HD23 LEU 13 -10.185 4.180 -2.232 130 H SER 14 HN SER 14 -10.288 0.676 3.472 131 HA SER 14 HA SER 14 -9.106 3.220 4.195 132 1HB SER 14 HB2 SER 14 -11.332 1.932 5.148 133 2HB SER 14 HB1 SER 14 -10.141 1.530 6.375 134 HG SER 14 HG SER 14 -9.868 3.657 6.822 135 H LEU 15 HN LEU 15 -8.782 -0.186 4.962 136 HA LEU 15 HA LEU 15 -6.415 0.244 6.514 137 1HB LEU 15 HB2 LEU 15 -7.641 -2.333 5.553 138 2HB LEU 15 HB1 LEU 15 -6.464 -2.136 6.833 139 HG LEU 15 HG LEU 15 -8.410 -2.405 8.039 140 1HD1 LEU 15 HD11 LEU 15 -8.374 0.567 7.539 141 2HD1 LEU 15 HD12 LEU 15 -7.314 -0.278 8.671 142 3HD1 LEU 15 HD13 LEU 15 -9.057 -0.253 8.944 143 1HD2 LEU 15 HD21 LEU 15 -10.297 -0.665 6.865 144 2HD2 LEU 15 HD22 LEU 15 -10.324 -2.429 6.935 145 3HD2 LEU 15 HD23 LEU 15 -9.550 -1.607 5.569 146 H ARG 16 HN ARG 16 -7.142 -1.623 3.604 147 HA ARG 16 HA ARG 16 -4.576 -2.275 2.875 148 1HB ARG 16 HB2 ARG 16 -6.995 -1.683 1.253 149 2HB ARG 16 HB1 ARG 16 -5.485 -2.009 0.446 150 1HG ARG 16 HG2 ARG 16 -7.022 -3.826 2.276 151 2HG ARG 16 HG1 ARG 16 -6.726 -4.036 0.549 152 1HD ARG 16 HD2 ARG 16 -4.261 -4.112 1.119 153 2HD ARG 16 HD1 ARG 16 -4.750 -4.223 2.810 154 HE ARG 16 HE ARG 16 -4.922 -6.290 0.805 155 1HH1 ARG 16 1HH1 ARG 16 -6.087 -5.164 3.898 156 2HH1 ARG 16 2HH1 ARG 16 -6.578 -6.738 4.425 157 1HH2 ARG 16 1HH2 ARG 16 -5.568 -8.360 1.499 158 2HH2 ARG 16 2HH2 ARG 16 -6.283 -8.552 3.065 159 H ASN 17 HN ASN 17 -6.102 0.770 2.700 160 HA ASN 17 HA ASN 17 -4.510 2.083 0.853 161 1HB ASN 17 HB2 ASN 17 -6.508 2.725 2.799 162 2HB ASN 17 HB1 ASN 17 -5.298 3.947 2.757 163 1HD2 ASN 17 HD21 ASN 17 -7.368 5.040 2.059 164 2HD2 ASN 17 HD22 ASN 17 -7.620 5.131 0.361 165 HA PRO 18 HA PRO 18 -1.748 4.022 4.205 166 1HB PRO 18 HB2 PRO 18 -2.082 3.051 6.770 167 2HB PRO 18 HB1 PRO 18 -2.672 4.605 6.175 168 1HG PRO 18 HG2 PRO 18 -4.091 1.995 6.362 169 2HG PRO 18 HG1 PRO 18 -4.678 3.621 6.759 170 1HD PRO 18 HD2 PRO 18 -5.378 2.502 4.477 171 2HD PRO 18 HD1 PRO 18 -4.908 4.208 4.512 172 H ILE 19 HN ILE 19 -2.807 0.794 4.272 173 HA ILE 19 HA ILE 19 -0.378 -0.304 5.356 174 HB ILE 19 HB ILE 19 -2.685 -1.622 3.942 175 1HG1 ILE 19 HG12 ILE 19 -1.888 -1.219 6.810 176 2HG1 ILE 19 HG11 ILE 19 -3.417 -0.844 6.043 177 1HG2 ILE 19 HG21 ILE 19 -0.312 -2.905 5.295 178 2HG2 ILE 19 HG22 ILE 19 -0.699 -2.966 3.576 179 3HG2 ILE 19 HG23 ILE 19 -1.750 -3.763 4.744 180 1HD1 ILE 19 HD11 ILE 19 -2.467 -3.352 7.227 181 2HD1 ILE 19 HD12 ILE 19 -3.365 -3.517 5.718 182 3HD1 ILE 19 HD13 ILE 19 -4.099 -2.698 7.097 183 H LEU 20 HN LEU 20 -1.518 0.419 2.165 184 HA LEU 20 HA LEU 20 0.560 -1.107 0.872 185 1HB LEU 20 HB2 LEU 20 -0.197 -0.246 -1.185 186 2HB LEU 20 HB1 LEU 20 -1.633 -0.542 -0.231 187 HG LEU 20 HG LEU 20 -0.814 2.159 0.182 188 1HD1 LEU 20 HD11 LEU 20 -0.470 1.174 -2.552 189 2HD1 LEU 20 HD12 LEU 20 0.115 2.656 -1.797 190 3HD1 LEU 20 HD13 LEU 20 -1.535 2.572 -2.413 191 1HD2 LEU 20 HD21 LEU 20 -3.170 1.101 -1.339 192 2HD2 LEU 20 HD22 LEU 20 -3.043 2.615 -0.440 193 3HD2 LEU 20 HD23 LEU 20 -3.035 1.074 0.419 194 H VAL 21 HN VAL 21 -0.094 2.155 1.856 195 HA VAL 21 HA VAL 21 2.087 3.524 0.847 196 HB VAL 21 HB VAL 21 0.364 3.675 3.256 197 1HG1 VAL 21 HG11 VAL 21 2.680 4.236 3.864 198 2HG1 VAL 21 HG12 VAL 21 1.516 5.545 4.116 199 3HG1 VAL 21 HG13 VAL 21 2.604 5.582 2.726 200 1HG2 VAL 21 HG21 VAL 21 -0.359 5.775 2.250 201 2HG2 VAL 21 HG22 VAL 21 -0.507 4.425 1.119 202 3HG2 VAL 21 HG23 VAL 21 0.830 5.570 0.960 203 H PHE 22 HN PHE 22 1.470 1.961 3.908 204 HA PHE 22 HA PHE 22 3.891 2.227 5.218 205 1HB PHE 22 HB2 PHE 22 2.327 1.394 6.631 206 2HB PHE 22 HB1 PHE 22 1.446 0.638 5.329 207 HD1 PHE 22 HD1 PHE 22 4.652 0.276 7.060 208 HD2 PHE 22 HD2 PHE 22 1.261 -1.477 5.322 209 HE1 PHE 22 HE1 PHE 22 5.498 -1.927 7.724 210 HE2 PHE 22 HE2 PHE 22 2.047 -3.723 5.983 211 HZ PHE 22 HZ PHE 22 4.189 -3.947 7.168 212 H LEU 23 HN LEU 23 2.828 0.128 2.714 213 HA LEU 23 HA LEU 23 5.157 -1.664 2.799 214 1HB LEU 23 HB2 LEU 23 2.826 -1.340 0.925 215 2HB LEU 23 HB1 LEU 23 4.213 -2.292 0.444 216 HG LEU 23 HG LEU 23 2.077 -3.355 1.582 217 1HD1 LEU 23 HD11 LEU 23 4.937 -4.049 1.541 218 2HD1 LEU 23 HD12 LEU 23 3.541 -4.958 0.962 219 3HD1 LEU 23 HD13 LEU 23 3.948 -4.966 2.678 220 1HD2 LEU 23 HD21 LEU 23 3.721 -3.265 4.003 221 2HD2 LEU 23 HD22 LEU 23 1.967 -3.268 3.813 222 3HD2 LEU 23 HD23 LEU 23 2.880 -1.771 3.584 223 H LYS 24 HN LYS 24 3.998 1.039 1.105 224 HA LYS 24 HA LYS 24 5.852 1.142 -0.991 225 1HB LYS 24 HB2 LYS 24 3.625 2.590 0.007 226 2HB LYS 24 HB1 LYS 24 4.872 3.728 -0.379 227 1HG LYS 24 HG2 LYS 24 4.196 3.579 -2.490 228 2HG LYS 24 HG1 LYS 24 4.814 1.926 -2.482 229 1HD LYS 24 HD2 LYS 24 2.496 1.480 -1.280 230 2HD LYS 24 HD1 LYS 24 2.032 2.903 -2.220 231 1HE LYS 24 HE2 LYS 24 1.925 1.707 -4.097 232 2HE LYS 24 HE1 LYS 24 3.546 1.060 -3.840 233 1HZ LYS 24 HZ1 LYS 24 0.952 -0.093 -3.152 234 2HZ LYS 24 HZ2 LYS 24 2.238 -0.401 -2.098 235 3HZ LYS 24 HZ3 LYS 24 2.354 -0.848 -3.726 236 H THR 25 HN THR 25 5.669 2.668 2.128 237 HA THR 25 HA THR 25 8.001 4.209 1.925 238 HB THR 25 HB THR 25 6.454 4.829 3.611 239 HG1 THR 25 HG1 THR 25 7.694 4.700 5.495 240 1HG2 THR 25 HG21 THR 25 5.427 3.492 5.158 241 2HG2 THR 25 HG22 THR 25 6.702 2.274 5.110 242 3HG2 THR 25 HG23 THR 25 5.550 2.397 3.777 243 H ARG 26 HN ARG 26 7.290 0.991 3.250 244 HA ARG 26 HA ARG 26 9.882 0.429 4.206 245 1HB ARG 26 HB2 ARG 26 7.646 -1.288 3.162 246 2HB ARG 26 HB1 ARG 26 9.135 -1.985 3.790 247 1HG ARG 26 HG2 ARG 26 6.998 -0.485 5.245 248 2HG ARG 26 HG1 ARG 26 7.673 -2.069 5.591 249 1HD ARG 26 HD2 ARG 26 9.881 -0.717 5.950 250 2HD ARG 26 HD1 ARG 26 8.774 0.639 6.167 251 HE ARG 26 HE ARG 26 7.911 -1.496 7.766 252 1HH1 ARG 26 1HH1 ARG 26 10.546 0.782 7.562 253 2HH1 ARG 26 2HH1 ARG 26 10.854 0.769 9.266 254 1HH2 ARG 26 1HH2 ARG 26 8.315 -1.513 10.008 255 2HH2 ARG 26 2HH2 ARG 26 9.588 -0.534 10.655 256 H VAL 27 HN VAL 27 8.322 0.063 1.130 257 HA VAL 27 HA VAL 27 10.443 -1.220 -0.277 258 HB VAL 27 HB VAL 27 7.772 -0.083 -0.820 259 1HG1 VAL 27 HG11 VAL 27 8.124 -0.371 -3.282 260 2HG1 VAL 27 HG12 VAL 27 9.855 -0.367 -2.946 261 3HG1 VAL 27 HG13 VAL 27 8.874 1.041 -2.541 262 1HG2 VAL 27 HG21 VAL 27 9.158 -2.631 -1.640 263 2HG2 VAL 27 HG22 VAL 27 7.471 -2.240 -1.971 264 3HG2 VAL 27 HG23 VAL 27 8.022 -2.432 -0.307 265 H LEU 28 HN LEU 28 9.636 1.982 0.597 266 HA LEU 28 HA LEU 28 11.013 3.361 -1.463 267 1HB LEU 28 HB2 LEU 28 9.818 5.102 -0.706 268 2HB LEU 28 HB1 LEU 28 8.962 3.939 0.239 269 HG LEU 28 HG LEU 28 10.381 4.413 2.154 270 1HD1 LEU 28 HD11 LEU 28 11.584 6.838 1.579 271 2HD1 LEU 28 HD12 LEU 28 11.955 5.827 0.182 272 3HD1 LEU 28 HD13 LEU 28 12.392 5.286 1.803 273 1HD2 LEU 28 HD21 LEU 28 8.978 6.030 2.773 274 2HD2 LEU 28 HD22 LEU 28 8.357 5.983 1.124 275 3HD2 LEU 28 HD23 LEU 28 9.608 7.146 1.562 276 H LYS 29 HN LYS 29 11.341 2.790 1.935 277 HA LYS 29 HA LYS 29 13.888 3.974 2.212 278 1HB LYS 29 HB2 LYS 29 13.922 3.115 4.443 279 2HB LYS 29 HB1 LYS 29 12.276 3.626 4.106 280 1HG LYS 29 HG2 LYS 29 11.598 1.334 3.750 281 2HG LYS 29 HG1 LYS 29 13.261 0.783 3.964 282 1HD LYS 29 HD2 LYS 29 11.660 2.235 6.066 283 2HD LYS 29 HD1 LYS 29 11.833 0.481 5.978 284 1HE LYS 29 HE2 LYS 29 13.726 0.628 7.127 285 2HE LYS 29 HE1 LYS 29 14.430 1.583 5.823 286 1HZ LYS 29 HZ1 LYS 29 14.148 2.479 8.304 287 2HZ LYS 29 HZ2 LYS 29 12.681 3.012 7.653 288 3HZ LYS 29 HZ3 LYS 29 14.142 3.495 6.951 289 H ARG 30 HN ARG 30 12.708 1.009 1.160 290 HA ARG 30 HA ARG 30 15.158 -0.441 1.402 291 1HB ARG 30 HB2 ARG 30 12.416 -0.909 0.395 292 2HB ARG 30 HB1 ARG 30 13.670 -1.972 -0.179 293 1HG ARG 30 HG2 ARG 30 13.798 -1.602 2.669 294 2HG ARG 30 HG1 ARG 30 12.210 -2.156 2.164 295 1HD ARG 30 HD2 ARG 30 13.067 -4.124 1.214 296 2HD ARG 30 HD1 ARG 30 14.711 -3.489 1.179 297 HE ARG 30 HE ARG 30 13.747 -3.680 3.842 298 1HH1 ARG 30 1HH1 ARG 30 14.987 -5.606 1.209 299 2HH1 ARG 30 2HH1 ARG 30 15.613 -6.844 2.245 300 1HH2 ARG 30 1HH2 ARG 30 14.569 -5.306 5.205 301 2HH2 ARG 30 2HH2 ARG 30 15.375 -6.674 4.515 302 H TRP 31 HN TRP 31 13.380 1.459 -0.839 303 HA TRP 31 HA TRP 31 14.759 0.886 -3.206 304 1HB TRP 31 HB2 TRP 31 12.498 2.296 -2.327 305 2HB TRP 31 HB1 TRP 31 13.510 3.427 -3.132 306 HD1 TRP 31 HD1 TRP 31 11.430 0.505 -3.727 307 HE1 TRP 31 HE1 TRP 31 11.267 0.074 -6.253 308 HE3 TRP 31 HE3 TRP 31 14.864 3.674 -5.017 309 HZ2 TRP 31 HZ2 TRP 31 12.560 1.076 -8.569 310 HZ3 TRP 31 HZ3 TRP 31 15.483 4.004 -7.434 311 HH2 TRP 31 HH2 TRP 31 14.334 2.702 -9.180 312 H ARG 32 HN ARG 32 14.757 3.339 -0.608 313 HA ARG 32 HA ARG 32 16.778 5.017 -1.611 314 1HB ARG 32 HB2 ARG 32 15.936 4.186 1.132 315 2HB ARG 32 HB1 ARG 32 17.036 5.536 0.829 316 1HG ARG 32 HG2 ARG 32 15.296 6.660 -0.437 317 2HG ARG 32 HG1 ARG 32 14.211 5.313 -0.177 318 1HD ARG 32 HD2 ARG 32 13.724 7.113 1.369 319 2HD ARG 32 HD1 ARG 32 14.292 5.674 2.208 320 HE ARG 32 HE ARG 32 16.375 7.565 1.625 321 1HH1 ARG 32 1HH1 ARG 32 13.887 6.666 3.902 322 2HH1 ARG 32 2HH1 ARG 32 14.651 7.459 5.239 323 1HH2 ARG 32 1HH2 ARG 32 17.379 8.609 3.383 324 2HH2 ARG 32 2HH2 ARG 32 16.633 8.562 4.945 325 H LEU 33 HN LEU 33 16.791 2.371 0.635 326 HA LEU 33 HA LEU 33 19.452 2.005 1.182 327 1HB LEU 33 HB2 LEU 33 16.910 0.482 1.171 328 2HB LEU 33 HB1 LEU 33 18.362 -0.384 1.482 329 HG LEU 33 HG LEU 33 16.797 0.923 3.287 330 1HD1 LEU 33 HD11 LEU 33 18.153 -0.018 4.857 331 2HD1 LEU 33 HD12 LEU 33 19.628 0.497 4.039 332 3HD1 LEU 33 HD13 LEU 33 18.730 -0.898 3.442 333 1HD2 LEU 33 HD21 LEU 33 19.328 2.496 3.136 334 2HD2 LEU 33 HD22 LEU 33 17.872 2.835 4.075 335 3HD2 LEU 33 HD23 LEU 33 17.852 3.003 2.316 336 H PHE 34 HN PHE 34 17.365 0.780 -1.230 337 HA PHE 34 HA PHE 34 19.199 -1.043 -2.411 338 1HB PHE 34 HB2 PHE 34 16.513 -0.128 -2.876 339 2HB PHE 34 HB1 PHE 34 17.356 -0.508 -4.346 340 HD1 PHE 34 HD1 PHE 34 17.877 -1.940 -1.085 341 HD2 PHE 34 HD2 PHE 34 16.271 -2.492 -4.957 342 HE1 PHE 34 HE1 PHE 34 17.576 -4.320 -0.607 343 HE2 PHE 34 HE2 PHE 34 15.948 -4.871 -4.506 344 HZ PHE 34 HZ PHE 34 16.599 -5.819 -2.316 345 H SER 35 HN SER 35 18.537 2.208 -2.467 346 HA SER 35 HA SER 35 20.086 2.655 -4.955 347 1HB SER 35 HB2 SER 35 17.903 4.045 -3.933 348 2HB SER 35 HB1 SER 35 19.276 5.112 -3.640 349 HG SER 35 HG SER 35 18.435 5.482 -5.694 350 H LYS 36 HN LYS 36 20.438 2.931 -1.488 351 HA LYS 36 HA LYS 36 22.773 4.620 -1.701 352 1HB LYS 36 HB2 LYS 36 22.014 3.064 0.744 353 2HB LYS 36 HB1 LYS 36 22.909 4.569 0.651 354 1HG LYS 36 HG2 LYS 36 19.986 4.077 0.469 355 2HG LYS 36 HG1 LYS 36 20.867 5.225 1.467 356 1HD LYS 36 HD2 LYS 36 21.344 6.608 -0.460 357 2HD LYS 36 HD1 LYS 36 20.587 5.431 -1.533 358 1HE LYS 36 HE2 LYS 36 18.459 5.966 -0.845 359 2HE LYS 36 HE1 LYS 36 19.002 6.566 0.721 360 1HZ LYS 36 HZ1 LYS 36 19.717 7.975 -1.772 361 2HZ LYS 36 HZ2 LYS 36 19.663 8.577 -0.194 362 3HZ LYS 36 HZ3 LYS 36 18.225 8.248 -1.021 363 H HIS 37 HN HIS 37 22.041 1.287 -1.112 364 HA HIS 37 HA HIS 37 24.698 0.430 -0.622 365 1HB HIS 37 HB2 HIS 37 22.092 -0.761 -0.744 366 2HB HIS 37 HB1 HIS 37 23.215 -1.733 -1.674 367 HD1 HIS 37 HD1 HIS 37 24.320 -3.478 -0.317 368 HD2 HIS 37 HD2 HIS 37 23.330 -0.144 1.952 369 HE1 HIS 37 HE1 HIS 37 25.027 -4.031 2.033 370 HE2 HIS 37 HE2 HIS 37 24.507 -1.960 3.370 371 H GLU 38 HN GLU 38 22.740 0.684 -3.535 372 HA GLU 38 HA GLU 38 24.872 -0.471 -5.141 373 1HB GLU 38 HB2 GLU 38 21.988 0.103 -5.519 374 2HB GLU 38 HB1 GLU 38 23.003 0.195 -6.948 375 1HG GLU 38 HG2 GLU 38 23.592 -2.060 -6.820 376 2HG GLU 38 HG1 GLU 38 23.073 -2.187 -5.140 Start of MODEL 5 1 1H VAL 1 HT1 VAL 1 -26.286 -7.679 4.047 2 2H VAL 1 HT2 VAL 1 -24.813 -6.914 3.609 3 3H VAL 1 HT3 VAL 1 -26.069 -7.087 2.453 4 HA VAL 1 HA VAL 1 -27.337 -5.483 3.349 5 HB VAL 1 HB VAL 1 -26.900 -4.570 5.658 6 1HG1 VAL 1 HG11 VAL 1 -28.764 -5.835 5.770 7 2HG1 VAL 1 HG12 VAL 1 -27.722 -6.913 6.698 8 3HG1 VAL 1 HG13 VAL 1 -28.003 -7.219 4.984 9 1HG2 VAL 1 HG21 VAL 1 -24.920 -6.794 5.605 10 2HG2 VAL 1 HG22 VAL 1 -25.751 -6.434 7.118 11 3HG2 VAL 1 HG23 VAL 1 -24.793 -5.187 6.318 12 H MET 2 HN MET 2 -26.957 -3.180 3.562 13 HA MET 2 HA MET 2 -24.732 -2.297 2.130 14 1HB MET 2 HB2 MET 2 -27.081 -1.129 3.442 15 2HB MET 2 HB1 MET 2 -25.697 -0.066 3.373 16 1HG MET 2 HG2 MET 2 -25.584 -0.628 0.897 17 2HG MET 2 HG1 MET 2 -27.189 -1.323 1.113 18 1HE MET 2 HE1 MET 2 -27.658 0.123 -0.851 19 2HE MET 2 HE2 MET 2 -28.244 1.781 -0.725 20 3HE MET 2 HE3 MET 2 -29.149 0.466 0.026 21 HA PRO 3 HA PRO 3 -23.356 -0.267 6.495 22 1HB PRO 3 HB2 PRO 3 -24.032 -2.323 8.352 23 2HB PRO 3 HB1 PRO 3 -24.626 -0.671 8.309 24 1HG PRO 3 HG2 PRO 3 -25.861 -3.145 7.263 25 2HG PRO 3 HG1 PRO 3 -26.638 -1.666 7.858 26 1HD PRO 3 HD2 PRO 3 -26.581 -2.241 5.255 27 2HD PRO 3 HD1 PRO 3 -26.374 -0.569 5.820 28 H LYS 4 HN LYS 4 -23.472 -3.609 5.648 29 HA LYS 4 HA LYS 4 -20.787 -4.103 6.711 30 1HB LYS 4 HB2 LYS 4 -23.003 -5.840 5.689 31 2HB LYS 4 HB1 LYS 4 -21.368 -6.472 5.806 32 1HG LYS 4 HG2 LYS 4 -22.308 -5.128 8.230 33 2HG LYS 4 HG1 LYS 4 -23.225 -6.570 7.789 34 1HD LYS 4 HD2 LYS 4 -21.197 -7.889 7.741 35 2HD LYS 4 HD1 LYS 4 -20.221 -6.452 8.052 36 1HE LYS 4 HE2 LYS 4 -20.488 -7.716 10.094 37 2HE LYS 4 HE1 LYS 4 -21.352 -6.184 10.224 38 1HZ LYS 4 HZ1 LYS 4 -22.947 -8.366 9.210 39 2HZ LYS 4 HZ2 LYS 4 -23.310 -7.221 10.401 40 3HZ LYS 4 HZ3 LYS 4 -22.403 -8.592 10.796 41 H GLN 5 HN GLN 5 -22.363 -3.425 3.741 42 HA GLN 5 HA GLN 5 -20.253 -4.571 2.155 43 1HB GLN 5 HB2 GLN 5 -21.943 -4.739 0.677 44 2HB GLN 5 HB1 GLN 5 -22.969 -3.853 1.784 45 1HG GLN 5 HG2 GLN 5 -23.128 -2.615 -0.105 46 2HG GLN 5 HG1 GLN 5 -21.892 -1.753 0.772 47 1HE2 GLN 5 HE21 GLN 5 -19.855 -3.717 0.079 48 2HE2 GLN 5 HE22 GLN 5 -19.555 -3.490 -1.585 49 H ILE 6 HN ILE 6 -21.174 -1.488 3.423 50 HA ILE 6 HA ILE 6 -19.269 -0.112 1.757 51 HB ILE 6 HB ILE 6 -19.881 1.832 3.321 52 1HG1 ILE 6 HG12 ILE 6 -22.106 1.756 4.259 53 2HG1 ILE 6 HG11 ILE 6 -22.300 0.096 3.775 54 1HG2 ILE 6 HG21 ILE 6 -21.713 2.411 1.859 55 2HG2 ILE 6 HG22 ILE 6 -21.872 0.717 1.385 56 3HG2 ILE 6 HG23 ILE 6 -20.413 1.620 0.963 57 1HD1 ILE 6 HD11 ILE 6 -20.953 -0.672 5.442 58 2HD1 ILE 6 HD12 ILE 6 -21.619 0.759 6.221 59 3HD1 ILE 6 HD13 ILE 6 -20.003 0.806 5.510 60 H VAL 7 HN VAL 7 -19.554 -1.534 4.887 61 HA VAL 7 HA VAL 7 -17.291 -0.269 6.091 62 HB VAL 7 HB VAL 7 -19.369 -1.466 7.197 63 1HG1 VAL 7 HG11 VAL 7 -17.412 -3.753 7.050 64 2HG1 VAL 7 HG12 VAL 7 -18.930 -3.662 6.158 65 3HG1 VAL 7 HG13 VAL 7 -18.946 -3.730 7.920 66 1HG2 VAL 7 HG21 VAL 7 -18.212 -1.506 9.206 67 2HG2 VAL 7 HG22 VAL 7 -17.362 -0.325 8.211 68 3HG2 VAL 7 HG23 VAL 7 -16.694 -1.943 8.422 69 H TYR 8 HN TYR 8 -18.116 -3.193 4.413 70 HA TYR 8 HA TYR 8 -15.692 -4.641 4.560 71 1HB TYR 8 HB2 TYR 8 -18.154 -5.010 3.349 72 2HB TYR 8 HB1 TYR 8 -17.070 -4.784 1.981 73 HD1 TYR 8 HD1 TYR 8 -16.554 -6.331 5.294 74 HD2 TYR 8 HD2 TYR 8 -16.610 -6.885 1.097 75 HE1 TYR 8 HE1 TYR 8 -15.680 -8.501 5.594 76 HE2 TYR 8 HE2 TYR 8 -15.744 -9.115 1.377 77 HH TYR 8 HH TYR 8 -14.355 -10.365 3.149 78 H TRP 9 HN TRP 9 -17.083 -2.328 2.299 79 HA TRP 9 HA TRP 9 -14.940 -2.117 0.469 80 1HB TRP 9 HB2 TRP 9 -17.358 -0.591 1.201 81 2HB TRP 9 HB1 TRP 9 -16.038 0.409 0.593 82 HD1 TRP 9 HD1 TRP 9 -18.856 -1.487 -0.596 83 HE1 TRP 9 HE1 TRP 9 -18.577 -1.883 -3.156 84 HE3 TRP 9 HE3 TRP 9 -14.083 -0.217 -1.035 85 HZ2 TRP 9 HZ2 TRP 9 -16.568 -1.664 -5.082 86 HZ3 TRP 9 HZ3 TRP 9 -12.985 -0.300 -3.242 87 HH2 TRP 9 HH2 TRP 9 -14.237 -1.024 -5.226 88 H LYS 10 HN LYS 10 -16.034 0.019 2.908 89 HA LYS 10 HA LYS 10 -13.954 1.780 3.159 90 1HB LYS 10 HB2 LYS 10 -16.008 2.199 4.281 91 2HB LYS 10 HB1 LYS 10 -15.898 0.698 5.184 92 1HG LYS 10 HG2 LYS 10 -13.626 2.012 5.932 93 2HG LYS 10 HG1 LYS 10 -14.801 3.315 5.770 94 1HD LYS 10 HD2 LYS 10 -16.328 2.150 7.259 95 2HD LYS 10 HD1 LYS 10 -15.204 0.793 7.374 96 1HE LYS 10 HE2 LYS 10 -14.620 1.898 9.276 97 2HE LYS 10 HE1 LYS 10 -13.555 2.728 8.142 98 1HZ LYS 10 HZ1 LYS 10 -15.230 4.478 7.939 99 2HZ LYS 10 HZ2 LYS 10 -14.702 4.309 9.536 100 3HZ LYS 10 HZ3 LYS 10 -16.206 3.690 9.074 101 H GLN 11 HN GLN 11 -14.372 -1.273 4.949 102 HA GLN 11 HA GLN 11 -11.851 -0.958 6.281 103 1HB GLN 11 HB2 GLN 11 -12.301 -3.031 7.317 104 2HB GLN 11 HB1 GLN 11 -13.866 -2.260 7.155 105 1HG GLN 11 HG2 GLN 11 -14.387 -3.624 5.242 106 2HG GLN 11 HG1 GLN 11 -12.776 -4.312 5.255 107 1HE2 GLN 11 HE21 GLN 11 -13.409 -4.111 8.456 108 2HE2 GLN 11 HE22 GLN 11 -14.172 -5.638 8.699 109 H TRP 12 HN TRP 12 -12.421 -1.463 3.204 110 HA TRP 12 HA TRP 12 -10.146 -3.294 2.816 111 1HB TRP 12 HB2 TRP 12 -12.435 -3.826 1.807 112 2HB TRP 12 HB1 TRP 12 -12.170 -2.516 0.721 113 HD1 TRP 12 HD1 TRP 12 -11.407 -6.047 1.187 114 HE1 TRP 12 HE1 TRP 12 -9.740 -6.812 -0.600 115 HE3 TRP 12 HE3 TRP 12 -10.235 -1.569 -0.539 116 HZ2 TRP 12 HZ2 TRP 12 -8.119 -5.597 -2.569 117 HZ3 TRP 12 HZ3 TRP 12 -8.604 -1.331 -2.418 118 HH2 TRP 12 HH2 TRP 12 -7.559 -3.358 -3.415 119 H LEU 13 HN LEU 13 -11.495 -0.122 1.912 120 HA LEU 13 HA LEU 13 -9.011 0.456 0.482 121 1HB LEU 13 HB2 LEU 13 -11.581 2.038 0.701 122 2HB LEU 13 HB1 LEU 13 -10.176 2.533 -0.223 123 HG LEU 13 HG LEU 13 -11.746 0.015 -0.770 124 1HD1 LEU 13 HD11 LEU 13 -12.320 1.528 -2.865 125 2HD1 LEU 13 HD12 LEU 13 -12.102 2.816 -1.680 126 3HD1 LEU 13 HD13 LEU 13 -13.301 1.555 -1.400 127 1HD2 LEU 13 HD21 LEU 13 -9.903 1.430 -2.658 128 2HD2 LEU 13 HD22 LEU 13 -10.444 -0.249 -2.673 129 3HD2 LEU 13 HD23 LEU 13 -9.272 0.287 -1.470 130 H SER 14 HN SER 14 -10.358 0.805 3.548 131 HA SER 14 HA SER 14 -9.008 3.289 4.125 132 1HB SER 14 HB2 SER 14 -11.184 2.065 5.277 133 2HB SER 14 HB1 SER 14 -9.908 1.693 6.423 134 HG SER 14 HG SER 14 -10.501 4.294 5.458 135 H LEU 15 HN LEU 15 -8.692 -0.113 4.913 136 HA LEU 15 HA LEU 15 -6.211 0.299 6.278 137 1HB LEU 15 HB2 LEU 15 -7.574 -2.263 5.476 138 2HB LEU 15 HB1 LEU 15 -6.285 -2.076 6.647 139 HG LEU 15 HG LEU 15 -8.126 -2.257 8.022 140 1HD1 LEU 15 HD11 LEU 15 -8.050 0.698 7.439 141 2HD1 LEU 15 HD12 LEU 15 -6.920 -0.149 8.501 142 3HD1 LEU 15 HD13 LEU 15 -8.633 -0.064 8.921 143 1HD2 LEU 15 HD21 LEU 15 -10.119 -2.257 7.067 144 2HD2 LEU 15 HD22 LEU 15 -9.445 -1.457 5.637 145 3HD2 LEU 15 HD23 LEU 15 -10.061 -0.494 6.988 146 H ARG 16 HN ARG 16 -7.211 -1.605 3.475 147 HA ARG 16 HA ARG 16 -4.735 -2.351 2.557 148 1HB ARG 16 HB2 ARG 16 -7.240 -1.677 1.103 149 2HB ARG 16 HB1 ARG 16 -5.811 -2.092 0.197 150 1HG ARG 16 HG2 ARG 16 -7.296 -3.805 2.172 151 2HG ARG 16 HG1 ARG 16 -7.151 -4.049 0.431 152 1HD ARG 16 HD2 ARG 16 -4.738 -4.409 0.693 153 2HD ARG 16 HD1 ARG 16 -4.899 -4.181 2.434 154 HE ARG 16 HE ARG 16 -5.601 -6.338 2.593 155 1HH1 ARG 16 1HH1 ARG 16 -6.077 -5.282 -0.699 156 2HH1 ARG 16 2HH1 ARG 16 -6.593 -6.839 -1.255 157 1HH2 ARG 16 1HH2 ARG 16 -6.275 -8.385 1.863 158 2HH2 ARG 16 2HH2 ARG 16 -6.705 -8.600 0.200 159 H ASN 17 HN ASN 17 -6.191 0.735 2.403 160 HA ASN 17 HA ASN 17 -4.637 1.979 0.467 161 1HB ASN 17 HB2 ASN 17 -6.499 2.691 2.538 162 2HB ASN 17 HB1 ASN 17 -5.259 3.873 2.408 163 1HD2 ASN 17 HD21 ASN 17 -7.396 4.978 1.853 164 2HD2 ASN 17 HD22 ASN 17 -7.734 5.093 0.170 165 HA PRO 18 HA PRO 18 -1.739 3.802 3.836 166 1HB PRO 18 HB2 PRO 18 -1.981 2.584 6.317 167 2HB PRO 18 HB1 PRO 18 -2.557 4.200 5.895 168 1HG PRO 18 HG2 PRO 18 -4.027 1.616 5.921 169 2HG PRO 18 HG1 PRO 18 -4.569 3.222 6.437 170 1HD PRO 18 HD2 PRO 18 -5.349 2.249 4.107 171 2HD PRO 18 HD1 PRO 18 -4.875 3.949 4.244 172 H ILE 19 HN ILE 19 -2.789 0.561 3.736 173 HA ILE 19 HA ILE 19 -0.292 -0.606 4.572 174 HB ILE 19 HB ILE 19 -2.629 -1.848 3.135 175 1HG1 ILE 19 HG12 ILE 19 -1.745 -1.677 6.000 176 2HG1 ILE 19 HG11 ILE 19 -3.311 -1.290 5.317 177 1HG2 ILE 19 HG21 ILE 19 -0.188 -3.184 4.297 178 2HG2 ILE 19 HG22 ILE 19 -0.610 -3.083 2.588 179 3HG2 ILE 19 HG23 ILE 19 -1.617 -4.020 3.691 180 1HD1 ILE 19 HD11 ILE 19 -3.054 -3.963 4.762 181 2HD1 ILE 19 HD12 ILE 19 -3.964 -3.260 6.099 182 3HD1 ILE 19 HD13 ILE 19 -2.305 -3.803 6.350 183 H LEU 20 HN LEU 20 -1.673 0.318 1.552 184 HA LEU 20 HA LEU 20 0.245 -0.961 -0.127 185 1HB LEU 20 HB2 LEU 20 -1.464 1.464 -0.720 186 2HB LEU 20 HB1 LEU 20 -0.574 0.528 -1.904 187 HG LEU 20 HG LEU 20 -3.192 0.031 -0.694 188 1HD1 LEU 20 HD11 LEU 20 -3.753 -0.514 -2.806 189 2HD1 LEU 20 HD12 LEU 20 -2.262 -1.415 -3.086 190 3HD1 LEU 20 HD13 LEU 20 -2.262 0.345 -3.193 191 1HD2 LEU 20 HD21 LEU 20 -1.277 -2.266 -1.085 192 2HD2 LEU 20 HD22 LEU 20 -3.010 -2.411 -0.787 193 3HD2 LEU 20 HD23 LEU 20 -1.956 -1.724 0.451 194 H VAL 21 HN VAL 21 -0.233 2.195 1.250 195 HA VAL 21 HA VAL 21 1.941 3.602 0.296 196 HB VAL 21 HB VAL 21 0.299 3.533 2.753 197 1HG1 VAL 21 HG11 VAL 21 2.548 3.960 3.495 198 2HG1 VAL 21 HG12 VAL 21 1.519 5.384 3.714 199 3HG1 VAL 21 HG13 VAL 21 2.674 5.318 2.378 200 1HG2 VAL 21 HG21 VAL 21 -0.598 4.542 0.749 201 2HG2 VAL 21 HG22 VAL 21 0.774 5.655 0.669 202 3HG2 VAL 21 HG23 VAL 21 -0.374 5.761 2.008 203 H PHE 22 HN PHE 22 1.440 1.749 3.221 204 HA PHE 22 HA PHE 22 3.943 1.887 4.403 205 1HB PHE 22 HB2 PHE 22 2.478 0.953 5.840 206 2HB PHE 22 HB1 PHE 22 1.492 0.326 4.545 207 HD1 PHE 22 HD1 PHE 22 1.277 -1.791 4.345 208 HD2 PHE 22 HD2 PHE 22 4.791 -0.224 6.023 209 HE1 PHE 22 HE1 PHE 22 2.077 -4.091 4.748 210 HE2 PHE 22 HE2 PHE 22 5.644 -2.484 6.437 211 HZ PHE 22 HZ PHE 22 4.282 -4.437 5.778 212 H LEU 23 HN LEU 23 2.690 0.019 1.800 213 HA LEU 23 HA LEU 23 4.981 -1.811 1.600 214 1HB LEU 23 HB2 LEU 23 2.578 -1.264 -0.123 215 2HB LEU 23 HB1 LEU 23 3.921 -2.186 -0.763 216 HG LEU 23 HG LEU 23 1.819 -3.321 0.375 217 1HD1 LEU 23 HD11 LEU 23 3.214 -4.876 -0.480 218 2HD1 LEU 23 HD12 LEU 23 3.702 -5.067 1.204 219 3HD1 LEU 23 HD13 LEU 23 4.656 -4.056 0.118 220 1HD2 LEU 23 HD21 LEU 23 2.821 -1.963 2.488 221 2HD2 LEU 23 HD22 LEU 23 3.550 -3.558 2.708 222 3HD2 LEU 23 HD23 LEU 23 1.795 -3.397 2.601 223 H LYS 24 HN LYS 24 3.878 1.101 0.309 224 HA LYS 24 HA LYS 24 5.658 1.379 -1.852 225 1HB LYS 24 HB2 LYS 24 3.468 2.732 -0.645 226 2HB LYS 24 HB1 LYS 24 4.709 3.894 -0.972 227 1HG LYS 24 HG2 LYS 24 3.948 3.938 -3.060 228 2HG LYS 24 HG1 LYS 24 4.563 2.292 -3.225 229 1HD LYS 24 HD2 LYS 24 2.294 1.735 -1.980 230 2HD LYS 24 HD1 LYS 24 1.794 3.235 -2.772 231 1HE LYS 24 HE2 LYS 24 1.285 1.818 -4.465 232 2HE LYS 24 HE1 LYS 24 2.994 2.025 -4.839 233 1HZ LYS 24 HZ1 LYS 24 2.109 -0.131 -3.033 234 2HZ LYS 24 HZ2 LYS 24 3.521 -0.033 -3.957 235 3HZ LYS 24 HZ3 LYS 24 2.038 -0.336 -4.711 236 H THR 25 HN THR 25 5.555 2.577 1.407 237 HA THR 25 HA THR 25 7.935 4.087 1.265 238 HB THR 25 HB THR 25 6.340 4.727 2.906 239 HG1 THR 25 HG1 THR 25 7.551 4.483 4.852 240 1HG2 THR 25 HG21 THR 25 5.265 3.399 4.417 241 2HG2 THR 25 HG22 THR 25 6.547 2.189 4.431 242 3HG2 THR 25 HG23 THR 25 5.437 2.281 3.061 243 H ARG 26 HN ARG 26 7.088 0.874 2.558 244 HA ARG 26 HA ARG 26 9.578 0.210 3.635 245 1HB ARG 26 HB2 ARG 26 7.404 -1.402 2.332 246 2HB ARG 26 HB1 ARG 26 8.841 -2.174 2.997 247 1HG ARG 26 HG2 ARG 26 6.658 -0.714 4.434 248 2HG ARG 26 HG1 ARG 26 7.249 -2.347 4.689 249 1HD ARG 26 HD2 ARG 26 8.740 0.197 5.288 250 2HD ARG 26 HD1 ARG 26 7.950 -0.834 6.478 251 HE ARG 26 HE ARG 26 10.447 -1.368 5.081 252 1HH1 ARG 26 1HH1 ARG 26 7.927 -2.579 7.176 253 2HH1 ARG 26 2HH1 ARG 26 8.897 -3.868 7.800 254 1HH2 ARG 26 1HH2 ARG 26 11.718 -3.066 5.902 255 2HH2 ARG 26 2HH2 ARG 26 11.046 -4.145 7.078 256 H VAL 27 HN VAL 27 8.315 -0.021 0.403 257 HA VAL 27 HA VAL 27 10.570 -1.258 -0.829 258 HB VAL 27 HB VAL 27 7.970 -0.092 -1.596 259 1HG1 VAL 27 HG11 VAL 27 8.577 -0.286 -4.024 260 2HG1 VAL 27 HG12 VAL 27 10.264 -0.282 -3.507 261 3HG1 VAL 27 HG13 VAL 27 9.228 1.101 -3.152 262 1HG2 VAL 27 HG21 VAL 27 9.439 -2.605 -2.375 263 2HG2 VAL 27 HG22 VAL 27 7.792 -2.199 -2.861 264 3HG2 VAL 27 HG23 VAL 27 8.171 -2.459 -1.157 265 H LEU 28 HN LEU 28 9.688 1.914 0.074 266 HA LEU 28 HA LEU 28 11.296 3.345 -1.775 267 1HB LEU 28 HB2 LEU 28 10.017 5.066 -1.126 268 2HB LEU 28 HB1 LEU 28 9.054 3.884 -0.318 269 HG LEU 28 HG LEU 28 10.227 4.311 1.767 270 1HD1 LEU 28 HD11 LEU 28 12.271 5.181 1.689 271 2HD1 LEU 28 HD12 LEU 28 11.504 6.743 1.392 272 3HD1 LEU 28 HD13 LEU 28 12.045 5.751 0.036 273 1HD2 LEU 28 HD21 LEU 28 9.539 7.062 1.118 274 2HD2 LEU 28 HD22 LEU 28 8.787 5.943 2.254 275 3HD2 LEU 28 HD23 LEU 28 8.341 5.899 0.548 276 H LYS 29 HN LYS 29 11.201 2.690 1.633 277 HA LYS 29 HA LYS 29 13.705 3.853 2.229 278 1HB LYS 29 HB2 LYS 29 13.477 2.987 4.425 279 2HB LYS 29 HB1 LYS 29 11.857 3.417 3.904 280 1HG LYS 29 HG2 LYS 29 11.334 1.104 3.469 281 2HG LYS 29 HG1 LYS 29 12.993 0.630 3.845 282 1HD LYS 29 HD2 LYS 29 11.191 2.027 5.810 283 2HD LYS 29 HD1 LYS 29 11.304 0.271 5.686 284 1HE LYS 29 HE2 LYS 29 13.874 1.685 5.888 285 2HE LYS 29 HE1 LYS 29 12.843 1.796 7.314 286 1HZ LYS 29 HZ1 LYS 29 13.800 -0.152 7.821 287 2HZ LYS 29 HZ2 LYS 29 14.252 -0.486 6.226 288 3HZ LYS 29 HZ3 LYS 29 12.674 -0.809 6.742 289 H ARG 30 HN ARG 30 12.653 0.901 0.981 290 HA ARG 30 HA ARG 30 15.050 -0.574 1.446 291 1HB ARG 30 HB2 ARG 30 12.469 -0.946 0.050 292 2HB ARG 30 HB1 ARG 30 13.785 -1.979 -0.434 293 1HG ARG 30 HG2 ARG 30 13.548 -1.820 2.426 294 2HG ARG 30 HG1 ARG 30 12.033 -2.314 1.683 295 1HD ARG 30 HD2 ARG 30 12.887 -4.285 0.910 296 2HD ARG 30 HD1 ARG 30 14.511 -3.625 0.717 297 HE ARG 30 HE ARG 30 13.514 -5.033 2.964 298 1HH1 ARG 30 1HH1 ARG 30 15.609 -2.382 2.095 299 2HH1 ARG 30 2HH1 ARG 30 16.598 -2.535 3.508 300 1HH2 ARG 30 1HH2 ARG 30 14.810 -5.235 4.824 301 2HH2 ARG 30 2HH2 ARG 30 16.146 -4.157 5.058 302 H TRP 31 HN TRP 31 13.601 1.473 -0.899 303 HA TRP 31 HA TRP 31 15.332 1.046 -3.068 304 1HB TRP 31 HB2 TRP 31 12.937 2.372 -2.451 305 2HB TRP 31 HB1 TRP 31 14.029 3.564 -3.037 306 HD1 TRP 31 HD1 TRP 31 12.116 0.653 -4.080 307 HE1 TRP 31 HE1 TRP 31 12.332 0.353 -6.622 308 HE3 TRP 31 HE3 TRP 31 15.637 3.929 -4.692 309 HZ2 TRP 31 HZ2 TRP 31 13.929 1.492 -8.670 310 HZ3 TRP 31 HZ3 TRP 31 16.594 4.393 -6.974 311 HH2 TRP 31 HH2 TRP 31 15.738 3.171 -8.933 312 H ARG 32 HN ARG 32 14.926 3.273 -0.343 313 HA ARG 32 HA ARG 32 16.995 5.094 -0.864 314 1HB ARG 32 HB2 ARG 32 15.809 3.956 1.636 315 2HB ARG 32 HB1 ARG 32 16.802 5.416 1.602 316 1HG ARG 32 HG2 ARG 32 14.271 5.159 0.007 317 2HG ARG 32 HG1 ARG 32 14.281 5.714 1.659 318 1HD ARG 32 HD2 ARG 32 16.005 6.902 -0.458 319 2HD ARG 32 HD1 ARG 32 14.349 7.439 -0.207 320 HE ARG 32 HE ARG 32 14.977 8.401 1.828 321 1HH1 ARG 32 1HH1 ARG 32 17.679 6.761 0.331 322 2HH1 ARG 32 2HH1 ARG 32 18.856 7.523 1.345 323 1HH2 ARG 32 1HH2 ARG 32 16.529 9.395 3.156 324 2HH2 ARG 32 2HH2 ARG 32 18.206 9.015 2.947 325 H LEU 33 HN LEU 33 16.724 2.171 0.968 326 HA LEU 33 HA LEU 33 19.287 1.832 1.962 327 1HB LEU 33 HB2 LEU 33 16.830 0.272 1.402 328 2HB LEU 33 HB1 LEU 33 18.232 -0.580 1.901 329 HG LEU 33 HG LEU 33 16.321 0.534 3.483 330 1HD1 LEU 33 HD11 LEU 33 17.378 -0.576 5.142 331 2HD1 LEU 33 HD12 LEU 33 18.930 0.184 4.791 332 3HD1 LEU 33 HD13 LEU 33 18.381 -1.186 3.825 333 1HD2 LEU 33 HD21 LEU 33 17.175 2.399 4.610 334 2HD2 LEU 33 HD22 LEU 33 17.405 2.721 2.888 335 3HD2 LEU 33 HD23 LEU 33 18.769 2.200 3.877 336 H PHE 34 HN PHE 34 17.609 0.797 -0.834 337 HA PHE 34 HA PHE 34 19.673 -0.879 -1.879 338 1HB PHE 34 HB2 PHE 34 17.002 -0.087 -2.596 339 2HB PHE 34 HB1 PHE 34 18.031 -0.317 -3.980 340 HD1 PHE 34 HD1 PHE 34 18.226 -1.910 -0.757 341 HD2 PHE 34 HD2 PHE 34 17.213 -2.332 -4.838 342 HE1 PHE 34 HE1 PHE 34 18.041 -4.332 -0.445 343 HE2 PHE 34 HE2 PHE 34 17.009 -4.751 -4.559 344 HZ PHE 34 HZ PHE 34 17.422 -5.785 -2.351 345 H SER 35 HN SER 35 18.882 2.337 -1.804 346 HA SER 35 HA SER 35 20.634 3.011 -4.101 347 1HB SER 35 HB2 SER 35 18.325 4.276 -3.160 348 2HB SER 35 HB1 SER 35 19.645 5.345 -2.695 349 HG SER 35 HG SER 35 20.118 5.689 -4.750 350 H LYS 36 HN LYS 36 20.537 3.158 -0.613 351 HA LYS 36 HA LYS 36 22.858 4.842 -0.421 352 1HB LYS 36 HB2 LYS 36 22.480 4.886 1.827 353 2HB LYS 36 HB1 LYS 36 20.883 4.400 1.290 354 1HG LYS 36 HG2 LYS 36 21.239 2.158 1.930 355 2HG LYS 36 HG1 LYS 36 22.973 2.412 2.134 356 1HD LYS 36 HD2 LYS 36 21.736 2.301 4.280 357 2HD LYS 36 HD1 LYS 36 22.599 3.821 4.046 358 1HE LYS 36 HE2 LYS 36 19.796 3.728 3.109 359 2HE LYS 36 HE1 LYS 36 20.045 3.684 4.854 360 1HZ LYS 36 HZ1 LYS 36 21.579 5.683 3.416 361 2HZ LYS 36 HZ2 LYS 36 20.757 5.802 4.890 362 3HZ LYS 36 HZ3 LYS 36 19.905 5.931 3.434 363 H HIS 37 HN HIS 37 22.246 1.505 -0.719 364 HA HIS 37 HA HIS 37 24.714 0.542 0.300 365 1HB HIS 37 HB2 HIS 37 23.488 -1.303 0.213 366 2HB HIS 37 HB1 HIS 37 22.260 -0.538 -0.730 367 HD1 HIS 37 HD1 HIS 37 25.132 -2.887 -1.001 368 HD2 HIS 37 HD2 HIS 37 22.360 -1.013 -3.454 369 HE1 HIS 37 HE1 HIS 37 25.254 -4.110 -3.197 370 HE2 HIS 37 HE2 HIS 37 23.480 -3.037 -4.632 371 H GLU 38 HN GLU 38 23.423 0.698 -2.977 372 HA GLU 38 HA GLU 38 26.150 0.679 -4.040 373 1HB GLU 38 HB2 GLU 38 25.191 0.142 -6.185 374 2HB GLU 38 HB1 GLU 38 24.497 -0.926 -4.976 375 1HG GLU 38 HG2 GLU 38 22.450 -0.279 -5.506 376 2HG GLU 38 HG1 GLU 38 22.867 1.412 -5.233 Start of MODEL 6 1 1H VAL 1 HT1 VAL 1 -27.800 -7.786 3.083 2 2H VAL 1 HT2 VAL 1 -27.188 -6.544 2.069 3 3H VAL 1 HT3 VAL 1 -28.880 -6.812 2.177 4 HA VAL 1 HA VAL 1 -29.067 -5.876 4.187 5 HB VAL 1 HB VAL 1 -27.096 -5.485 5.687 6 1HG1 VAL 1 HG11 VAL 1 -26.788 -8.170 5.923 7 2HG1 VAL 1 HG12 VAL 1 -28.280 -8.079 4.985 8 3HG1 VAL 1 HG13 VAL 1 -28.168 -7.264 6.546 9 1HG2 VAL 1 HG21 VAL 1 -25.464 -5.726 3.720 10 2HG2 VAL 1 HG22 VAL 1 -25.619 -7.464 3.984 11 3HG2 VAL 1 HG23 VAL 1 -25.000 -6.428 5.270 12 H MET 2 HN MET 2 -28.444 -3.685 5.038 13 HA MET 2 HA MET 2 -28.007 -1.933 2.854 14 1HB MET 2 HB2 MET 2 -28.795 -1.750 5.685 15 2HB MET 2 HB1 MET 2 -27.972 -0.348 5.045 16 1HG MET 2 HG2 MET 2 -30.367 -1.611 3.770 17 2HG MET 2 HG1 MET 2 -30.453 -0.267 4.907 18 1HE MET 2 HE1 MET 2 -31.793 1.159 3.295 19 2HE MET 2 HE2 MET 2 -30.904 2.345 2.339 20 3HE MET 2 HE3 MET 2 -30.574 2.175 4.063 21 HA PRO 3 HA PRO 3 -23.846 -0.962 4.885 22 1HB PRO 3 HB2 PRO 3 -23.377 -1.336 7.434 23 2HB PRO 3 HB1 PRO 3 -24.747 -0.308 7.010 24 1HG PRO 3 HG2 PRO 3 -24.749 -3.222 7.709 25 2HG PRO 3 HG1 PRO 3 -25.721 -1.920 8.436 26 1HD PRO 3 HD2 PRO 3 -26.601 -3.535 6.366 27 2HD PRO 3 HD1 PRO 3 -27.212 -1.899 6.683 28 H LYS 4 HN LYS 4 -22.034 -2.432 6.606 29 HA LYS 4 HA LYS 4 -20.686 -4.246 6.680 30 1HB LYS 4 HB2 LYS 4 -22.965 -5.373 7.052 31 2HB LYS 4 HB1 LYS 4 -22.853 -5.864 5.367 32 1HG LYS 4 HG2 LYS 4 -21.740 -7.649 6.062 33 2HG LYS 4 HG1 LYS 4 -20.398 -6.572 6.451 34 1HD LYS 4 HD2 LYS 4 -22.475 -6.622 8.503 35 2HD LYS 4 HD1 LYS 4 -21.725 -8.197 8.229 36 1HE LYS 4 HE2 LYS 4 -20.246 -7.386 9.746 37 2HE LYS 4 HE1 LYS 4 -19.520 -6.706 8.291 38 1HZ LYS 4 HZ1 LYS 4 -20.546 -4.620 8.721 39 2HZ LYS 4 HZ2 LYS 4 -19.786 -5.107 10.151 40 3HZ LYS 4 HZ3 LYS 4 -21.464 -5.250 9.995 41 H GLN 5 HN GLN 5 -22.251 -3.453 3.661 42 HA GLN 5 HA GLN 5 -20.187 -4.839 2.164 43 1HB GLN 5 HB2 GLN 5 -21.865 -5.128 0.691 44 2HB GLN 5 HB1 GLN 5 -22.911 -4.174 1.722 45 1HG GLN 5 HG2 GLN 5 -23.073 -3.058 -0.238 46 2HG GLN 5 HG1 GLN 5 -21.806 -2.145 0.539 47 1HE2 GLN 5 HE21 GLN 5 -19.782 -4.099 0.013 48 2HE2 GLN 5 HE22 GLN 5 -19.513 -4.067 -1.672 49 H ILE 6 HN ILE 6 -21.158 -1.722 3.197 50 HA ILE 6 HA ILE 6 -19.289 -0.353 1.499 51 HB ILE 6 HB ILE 6 -20.005 1.619 3.020 52 1HG1 ILE 6 HG12 ILE 6 -22.268 1.477 3.880 53 2HG1 ILE 6 HG11 ILE 6 -22.385 -0.203 3.424 54 1HG2 ILE 6 HG21 ILE 6 -21.815 2.088 1.487 55 2HG2 ILE 6 HG22 ILE 6 -21.877 0.380 1.041 56 3HG2 ILE 6 HG23 ILE 6 -20.449 1.342 0.653 57 1HD1 ILE 6 HD11 ILE 6 -20.136 0.498 5.189 58 2HD1 ILE 6 HD12 ILE 6 -21.229 -0.887 5.238 59 3HD1 ILE 6 HD13 ILE 6 -21.749 0.668 5.883 60 H VAL 7 HN VAL 7 -19.597 -1.657 4.682 61 HA VAL 7 HA VAL 7 -17.398 -0.280 5.882 62 HB VAL 7 HB VAL 7 -19.498 -1.503 6.959 63 1HG1 VAL 7 HG11 VAL 7 -17.415 -3.682 7.040 64 2HG1 VAL 7 HG12 VAL 7 -18.895 -3.727 6.081 65 3HG1 VAL 7 HG13 VAL 7 -18.986 -3.692 7.842 66 1HG2 VAL 7 HG21 VAL 7 -18.359 -1.488 9.040 67 2HG2 VAL 7 HG22 VAL 7 -17.732 -0.170 8.051 68 3HG2 VAL 7 HG23 VAL 7 -16.796 -1.650 8.243 69 H TYR 8 HN TYR 8 -18.108 -3.303 4.344 70 HA TYR 8 HA TYR 8 -15.667 -4.682 4.630 71 1HB TYR 8 HB2 TYR 8 -18.116 -4.928 3.106 72 2HB TYR 8 HB1 TYR 8 -16.718 -5.287 2.099 73 HD1 TYR 8 HD1 TYR 8 -14.871 -6.434 3.999 74 HD2 TYR 8 HD2 TYR 8 -19.049 -7.006 3.629 75 HE1 TYR 8 HE1 TYR 8 -14.656 -8.517 5.084 76 HE2 TYR 8 HE2 TYR 8 -18.854 -9.148 4.712 77 HH TYR 8 HH TYR 8 -17.030 -10.904 5.070 78 H TRP 9 HN TRP 9 -17.053 -2.539 2.205 79 HA TRP 9 HA TRP 9 -14.888 -2.383 0.403 80 1HB TRP 9 HB2 TRP 9 -17.363 -0.903 1.002 81 2HB TRP 9 HB1 TRP 9 -16.064 0.120 0.390 82 HD1 TRP 9 HD1 TRP 9 -18.757 -1.983 -0.770 83 HE1 TRP 9 HE1 TRP 9 -18.413 -2.449 -3.311 84 HE3 TRP 9 HE3 TRP 9 -14.072 -0.422 -1.188 85 HZ2 TRP 9 HZ2 TRP 9 -16.392 -2.167 -5.217 86 HZ3 TRP 9 HZ3 TRP 9 -12.934 -0.508 -3.378 87 HH2 TRP 9 HH2 TRP 9 -14.105 -1.381 -5.352 88 H LYS 10 HN LYS 10 -16.085 -0.151 2.712 89 HA LYS 10 HA LYS 10 -14.053 1.679 2.900 90 1HB LYS 10 HB2 LYS 10 -16.119 2.118 3.980 91 2HB LYS 10 HB1 LYS 10 -16.011 0.653 4.942 92 1HG LYS 10 HG2 LYS 10 -13.753 2.104 5.614 93 2HG LYS 10 HG1 LYS 10 -15.044 3.297 5.502 94 1HD LYS 10 HD2 LYS 10 -16.299 1.323 6.858 95 2HD LYS 10 HD1 LYS 10 -14.644 1.106 7.429 96 1HE LYS 10 HE2 LYS 10 -14.544 3.313 8.270 97 2HE LYS 10 HE1 LYS 10 -16.013 3.784 7.416 98 1HZ LYS 10 HZ1 LYS 10 -15.705 2.408 9.944 99 2HZ LYS 10 HZ2 LYS 10 -16.909 1.778 8.937 100 3HZ LYS 10 HZ3 LYS 10 -16.959 3.404 9.397 101 H GLN 11 HN GLN 11 -14.427 -1.268 4.868 102 HA GLN 11 HA GLN 11 -11.933 -0.828 6.206 103 1HB GLN 11 HB2 GLN 11 -12.346 -2.858 7.342 104 2HB GLN 11 HB1 GLN 11 -13.924 -2.127 7.127 105 1HG GLN 11 HG2 GLN 11 -14.401 -3.598 5.284 106 2HG GLN 11 HG1 GLN 11 -12.777 -4.255 5.345 107 1HE2 GLN 11 HE21 GLN 11 -13.425 -3.908 8.525 108 2HE2 GLN 11 HE22 GLN 11 -14.171 -5.431 8.841 109 H TRP 12 HN TRP 12 -12.447 -1.519 3.152 110 HA TRP 12 HA TRP 12 -10.124 -3.313 2.891 111 1HB TRP 12 HB2 TRP 12 -12.377 -3.961 1.881 112 2HB TRP 12 HB1 TRP 12 -12.137 -2.699 0.736 113 HD1 TRP 12 HD1 TRP 12 -11.259 -6.175 1.391 114 HE1 TRP 12 HE1 TRP 12 -9.547 -6.971 -0.338 115 HE3 TRP 12 HE3 TRP 12 -10.232 -1.754 -0.559 116 HZ2 TRP 12 HZ2 TRP 12 -7.952 -5.802 -2.355 117 HZ3 TRP 12 HZ3 TRP 12 -8.594 -1.554 -2.434 118 HH2 TRP 12 HH2 TRP 12 -7.464 -3.591 -3.315 119 H LEU 13 HN LEU 13 -11.527 -0.227 1.804 120 HA LEU 13 HA LEU 13 -9.029 0.330 0.381 121 1HB LEU 13 HB2 LEU 13 -11.174 0.763 -0.781 122 2HB LEU 13 HB1 LEU 13 -11.607 1.911 0.470 123 HG LEU 13 HG LEU 13 -9.601 3.268 -0.174 124 1HD1 LEU 13 HD11 LEU 13 -8.189 2.687 -1.826 125 2HD1 LEU 13 HD12 LEU 13 -9.462 1.948 -2.799 126 3HD1 LEU 13 HD13 LEU 13 -8.746 1.054 -1.458 127 1HD2 LEU 13 HD21 LEU 13 -11.417 4.275 -1.062 128 2HD2 LEU 13 HD22 LEU 13 -11.998 2.798 -1.831 129 3HD2 LEU 13 HD23 LEU 13 -10.702 3.731 -2.579 130 H SER 14 HN SER 14 -10.439 0.817 3.399 131 HA SER 14 HA SER 14 -9.147 3.357 3.859 132 1HB SER 14 HB2 SER 14 -11.321 2.148 5.038 133 2HB SER 14 HB1 SER 14 -10.058 1.879 6.228 134 HG SER 14 HG SER 14 -9.635 4.229 5.935 135 H LEU 15 HN LEU 15 -8.777 0.008 4.835 136 HA LEU 15 HA LEU 15 -6.333 0.547 6.219 137 1HB LEU 15 HB2 LEU 15 -7.636 -2.080 5.546 138 2HB LEU 15 HB1 LEU 15 -6.369 -1.804 6.723 139 HG LEU 15 HG LEU 15 -8.227 -1.933 8.082 140 1HD1 LEU 15 HD11 LEU 15 -8.784 0.301 8.837 141 2HD1 LEU 15 HD12 LEU 15 -8.194 0.982 7.319 142 3HD1 LEU 15 HD13 LEU 15 -7.065 0.224 8.445 143 1HD2 LEU 15 HD21 LEU 15 -10.198 -2.038 7.088 144 2HD2 LEU 15 HD22 LEU 15 -9.523 -1.288 5.633 145 3HD2 LEU 15 HD23 LEU 15 -10.183 -0.279 6.929 146 H ARG 16 HN ARG 16 -7.253 -1.533 3.514 147 HA ARG 16 HA ARG 16 -4.763 -2.313 2.676 148 1HB ARG 16 HB2 ARG 16 -7.241 -1.730 1.143 149 2HB ARG 16 HB1 ARG 16 -5.792 -2.170 0.282 150 1HG ARG 16 HG2 ARG 16 -7.299 -3.805 2.304 151 2HG ARG 16 HG1 ARG 16 -7.101 -4.133 0.582 152 1HD ARG 16 HD2 ARG 16 -4.626 -4.306 1.013 153 2HD ARG 16 HD1 ARG 16 -5.001 -4.242 2.735 154 HE ARG 16 HE ARG 16 -6.414 -6.285 1.266 155 1HH1 ARG 16 1HH1 ARG 16 -3.547 -5.503 3.100 156 2HH1 ARG 16 2HH1 ARG 16 -3.225 -7.148 3.531 157 1HH2 ARG 16 1HH2 ARG 16 -5.989 -8.448 1.834 158 2HH2 ARG 16 2HH2 ARG 16 -4.608 -8.820 2.812 159 H ASN 17 HN ASN 17 -6.225 0.754 2.342 160 HA ASN 17 HA ASN 17 -4.618 1.912 0.379 161 1HB ASN 17 HB2 ASN 17 -6.588 2.704 2.324 162 2HB ASN 17 HB1 ASN 17 -5.369 3.907 2.170 163 1HD2 ASN 17 HD21 ASN 17 -7.515 4.911 1.459 164 2HD2 ASN 17 HD22 ASN 17 -7.782 4.912 -0.239 165 HA PRO 18 HA PRO 18 -1.895 3.978 3.782 166 1HB PRO 18 HB2 PRO 18 -2.249 2.894 6.312 167 2HB PRO 18 HB1 PRO 18 -2.825 4.472 5.770 168 1HG PRO 18 HG2 PRO 18 -4.257 1.869 5.861 169 2HG PRO 18 HG1 PRO 18 -4.848 3.490 6.268 170 1HD PRO 18 HD2 PRO 18 -5.498 2.389 3.957 171 2HD PRO 18 HD1 PRO 18 -5.049 4.099 4.025 172 H ILE 19 HN ILE 19 -2.882 0.730 3.744 173 HA ILE 19 HA ILE 19 -0.480 -0.406 4.810 174 HB ILE 19 HB ILE 19 -2.714 -1.602 3.204 175 1HG1 ILE 19 HG12 ILE 19 -1.956 -1.471 6.091 176 2HG1 ILE 19 HG11 ILE 19 -3.523 -1.224 5.346 177 1HG2 ILE 19 HG21 ILE 19 -1.749 -3.812 3.678 178 2HG2 ILE 19 HG22 ILE 19 -0.328 -3.030 4.368 179 3HG2 ILE 19 HG23 ILE 19 -0.696 -2.836 2.654 180 1HD1 ILE 19 HD11 ILE 19 -3.719 -3.629 4.959 181 2HD1 ILE 19 HD12 ILE 19 -3.511 -3.246 6.667 182 3HD1 ILE 19 HD13 ILE 19 -2.153 -3.872 5.732 183 H LEU 20 HN LEU 20 -1.669 0.255 1.645 184 HA LEU 20 HA LEU 20 0.346 -0.918 0.082 185 1HB LEU 20 HB2 LEU 20 -1.356 1.503 -0.545 186 2HB LEU 20 HB1 LEU 20 -0.377 0.633 -1.706 187 HG LEU 20 HG LEU 20 -3.049 0.033 -0.680 188 1HD1 LEU 20 HD11 LEU 20 -1.882 -1.304 -3.042 189 2HD1 LEU 20 HD12 LEU 20 -2.010 0.454 -3.095 190 3HD1 LEU 20 HD13 LEU 20 -3.452 -0.528 -2.833 191 1HD2 LEU 20 HD21 LEU 20 -1.901 -1.732 0.509 192 2HD2 LEU 20 HD22 LEU 20 -1.034 -2.193 -0.957 193 3HD2 LEU 20 HD23 LEU 20 -2.781 -2.414 -0.860 194 H VAL 21 HN VAL 21 -0.182 2.216 1.453 195 HA VAL 21 HA VAL 21 2.021 3.639 0.630 196 HB VAL 21 HB VAL 21 0.266 3.497 2.995 197 1HG1 VAL 21 HG11 VAL 21 1.433 5.145 4.195 198 2HG1 VAL 21 HG12 VAL 21 2.515 5.465 2.838 199 3HG1 VAL 21 HG13 VAL 21 2.622 3.931 3.708 200 1HG2 VAL 21 HG21 VAL 21 -0.363 5.753 2.285 201 2HG2 VAL 21 HG22 VAL 21 -0.526 4.570 0.982 202 3HG2 VAL 21 HG23 VAL 21 0.849 5.680 1.002 203 H PHE 22 HN PHE 22 1.390 1.685 3.474 204 HA PHE 22 HA PHE 22 3.839 1.797 4.776 205 1HB PHE 22 HB2 PHE 22 2.368 0.777 6.121 206 2HB PHE 22 HB1 PHE 22 1.405 0.221 4.775 207 HD1 PHE 22 HD1 PHE 22 1.256 -1.914 4.356 208 HD2 PHE 22 HD2 PHE 22 4.628 -0.397 6.355 209 HE1 PHE 22 HE1 PHE 22 2.109 -4.209 4.593 210 HE2 PHE 22 HE2 PHE 22 5.522 -2.665 6.632 211 HZ PHE 22 HZ PHE 22 4.262 -4.593 5.730 212 H LEU 23 HN LEU 23 2.733 0.023 2.024 213 HA LEU 23 HA LEU 23 5.152 -1.691 2.008 214 1HB LEU 23 HB2 LEU 23 2.916 -1.391 0.017 215 2HB LEU 23 HB1 LEU 23 4.300 -2.435 -0.240 216 HG LEU 23 HG LEU 23 3.392 -3.295 2.195 217 1HD1 LEU 23 HD11 LEU 23 1.215 -2.939 2.465 218 2HD1 LEU 23 HD12 LEU 23 0.860 -3.287 0.769 219 3HD1 LEU 23 HD13 LEU 23 1.406 -1.673 1.247 220 1HD2 LEU 23 HD21 LEU 23 3.841 -5.026 0.812 221 2HD2 LEU 23 HD22 LEU 23 3.210 -4.192 -0.608 222 3HD2 LEU 23 HD23 LEU 23 2.102 -4.972 0.521 223 H LYS 24 HN LYS 24 3.885 1.120 0.541 224 HA LYS 24 HA LYS 24 5.696 1.427 -1.573 225 1HB LYS 24 HB2 LYS 24 3.517 2.788 -0.362 226 2HB LYS 24 HB1 LYS 24 4.774 3.943 -0.648 227 1HG LYS 24 HG2 LYS 24 4.043 4.043 -2.747 228 2HG LYS 24 HG1 LYS 24 4.622 2.387 -2.941 229 1HD LYS 24 HD2 LYS 24 2.463 1.978 -3.457 230 2HD LYS 24 HD1 LYS 24 2.309 1.899 -1.697 231 1HE LYS 24 HE2 LYS 24 0.631 3.374 -2.113 232 2HE LYS 24 HE1 LYS 24 1.965 4.523 -2.022 233 1HZ LYS 24 HZ1 LYS 24 1.939 4.873 -4.256 234 2HZ LYS 24 HZ2 LYS 24 0.300 4.520 -4.029 235 3HZ LYS 24 HZ3 LYS 24 1.346 3.331 -4.624 236 H THR 25 HN THR 25 5.603 2.553 1.708 237 HA THR 25 HA THR 25 7.970 4.072 1.643 238 HB THR 25 HB THR 25 6.424 4.589 3.363 239 HG1 THR 25 HG1 THR 25 8.750 4.331 3.988 240 1HG2 THR 25 HG21 THR 25 6.581 1.972 4.729 241 2HG2 THR 25 HG22 THR 25 5.527 2.107 3.320 242 3HG2 THR 25 HG23 THR 25 5.288 3.170 4.708 243 H ARG 26 HN ARG 26 7.169 0.764 2.679 244 HA ARG 26 HA ARG 26 9.686 0.042 3.673 245 1HB ARG 26 HB2 ARG 26 7.503 -1.488 2.287 246 2HB ARG 26 HB1 ARG 26 8.957 -2.293 2.866 247 1HG ARG 26 HG2 ARG 26 6.780 -0.982 4.440 248 2HG ARG 26 HG1 ARG 26 7.413 -2.612 4.571 249 1HD ARG 26 HD2 ARG 26 9.561 -1.620 5.377 250 2HD ARG 26 HD1 ARG 26 8.753 -0.052 5.400 251 HE ARG 26 HE ARG 26 7.796 -0.649 7.378 252 1HH1 ARG 26 1HH1 ARG 26 8.749 -3.564 5.711 253 2HH1 ARG 26 2HH1 ARG 26 8.302 -4.606 7.020 254 1HH2 ARG 26 1HH2 ARG 26 7.208 -2.017 9.100 255 2HH2 ARG 26 2HH2 ARG 26 7.428 -3.729 8.944 256 H VAL 27 HN VAL 27 8.350 0.051 0.465 257 HA VAL 27 HA VAL 27 10.566 -1.071 -0.923 258 HB VAL 27 HB VAL 27 7.950 0.151 -1.517 259 1HG1 VAL 27 HG11 VAL 27 10.197 0.159 -3.493 260 2HG1 VAL 27 HG12 VAL 27 9.155 1.491 -2.993 261 3HG1 VAL 27 HG13 VAL 27 8.499 0.178 -3.971 262 1HG2 VAL 27 HG21 VAL 27 8.174 -2.243 -1.303 263 2HG2 VAL 27 HG22 VAL 27 9.408 -2.270 -2.563 264 3HG2 VAL 27 HG23 VAL 27 7.748 -1.832 -2.964 265 H LEU 28 HN LEU 28 9.709 2.019 0.256 266 HA LEU 28 HA LEU 28 11.276 3.601 -1.502 267 1HB LEU 28 HB2 LEU 28 10.017 5.260 -0.681 268 2HB LEU 28 HB1 LEU 28 9.068 4.007 0.034 269 HG LEU 28 HG LEU 28 10.262 4.259 2.133 270 1HD1 LEU 28 HD11 LEU 28 11.546 6.696 1.973 271 2HD1 LEU 28 HD12 LEU 28 12.051 5.857 0.505 272 3HD1 LEU 28 HD13 LEU 28 12.307 5.110 2.082 273 1HD2 LEU 28 HD21 LEU 28 8.866 5.884 2.786 274 2HD2 LEU 28 HD22 LEU 28 8.351 5.922 1.100 275 3HD2 LEU 28 HD23 LEU 28 9.568 7.060 1.677 276 H LYS 29 HN LYS 29 11.296 2.625 1.821 277 HA LYS 29 HA LYS 29 13.817 3.741 2.458 278 1HB LYS 29 HB2 LYS 29 13.626 2.696 4.584 279 2HB LYS 29 HB1 LYS 29 12.002 3.194 4.137 280 1HG LYS 29 HG2 LYS 29 11.421 0.942 3.532 281 2HG LYS 29 HG1 LYS 29 13.082 0.405 3.792 282 1HD LYS 29 HD2 LYS 29 12.191 1.727 6.149 283 2HD LYS 29 HD1 LYS 29 10.955 0.564 5.668 284 1HE LYS 29 HE2 LYS 29 12.280 -0.811 6.906 285 2HE LYS 29 HE1 LYS 29 13.074 -0.991 5.342 286 1HZ LYS 29 HZ1 LYS 29 14.784 -0.590 6.861 287 2HZ LYS 29 HZ2 LYS 29 13.935 0.639 7.654 288 3HZ LYS 29 HZ3 LYS 29 14.551 0.905 6.102 289 H ARG 30 HN ARG 30 12.704 0.925 0.994 290 HA ARG 30 HA ARG 30 15.098 -0.604 1.285 291 1HB ARG 30 HB2 ARG 30 12.471 -0.869 -0.051 292 2HB ARG 30 HB1 ARG 30 13.766 -1.877 -0.630 293 1HG ARG 30 HG2 ARG 30 13.599 -1.890 2.241 294 2HG ARG 30 HG1 ARG 30 12.067 -2.335 1.502 295 1HD ARG 30 HD2 ARG 30 14.510 -3.592 0.394 296 2HD ARG 30 HD1 ARG 30 14.005 -4.111 2.001 297 HE ARG 30 HE ARG 30 11.725 -4.277 0.558 298 1HH1 ARG 30 1HH1 ARG 30 14.951 -5.516 0.070 299 2HH1 ARG 30 2HH1 ARG 30 14.417 -6.913 -0.803 300 1HH2 ARG 30 1HH2 ARG 30 11.021 -6.113 -0.593 301 2HH2 ARG 30 2HH2 ARG 30 12.187 -7.252 -1.181 302 H TRP 31 HN TRP 31 13.574 1.613 -0.846 303 HA TRP 31 HA TRP 31 15.168 1.334 -3.122 304 1HB TRP 31 HB2 TRP 31 12.873 2.684 -2.270 305 2HB TRP 31 HB1 TRP 31 13.981 3.890 -2.790 306 HD1 TRP 31 HD1 TRP 31 11.899 1.176 -4.018 307 HE1 TRP 31 HE1 TRP 31 11.990 1.122 -6.584 308 HE3 TRP 31 HE3 TRP 31 15.540 4.346 -4.478 309 HZ2 TRP 31 HZ2 TRP 31 13.547 2.390 -8.587 310 HZ3 TRP 31 HZ3 TRP 31 16.417 4.993 -6.747 311 HH2 TRP 31 HH2 TRP 31 15.420 4.008 -8.771 312 H ARG 32 HN ARG 32 15.018 3.366 -0.181 313 HA ARG 32 HA ARG 32 17.157 5.106 -0.742 314 1HB ARG 32 HB2 ARG 32 16.126 3.829 1.755 315 2HB ARG 32 HB1 ARG 32 17.270 5.175 1.761 316 1HG ARG 32 HG2 ARG 32 15.622 6.566 0.645 317 2HG ARG 32 HG1 ARG 32 14.495 5.227 0.602 318 1HD ARG 32 HD2 ARG 32 13.821 5.625 2.653 319 2HD ARG 32 HD1 ARG 32 15.467 5.589 3.260 320 HE ARG 32 HE ARG 32 15.117 8.056 2.046 321 1HH1 ARG 32 1HH1 ARG 32 13.757 6.303 4.740 322 2HH1 ARG 32 2HH1 ARG 32 13.391 7.733 5.646 323 1HH2 ARG 32 1HH2 ARG 32 14.638 9.937 3.238 324 2HH2 ARG 32 2HH2 ARG 32 13.891 9.795 4.794 325 H LEU 33 HN LEU 33 16.914 2.129 0.993 326 HA LEU 33 HA LEU 33 19.497 1.541 1.689 327 1HB LEU 33 HB2 LEU 33 16.912 0.174 1.211 328 2HB LEU 33 HB1 LEU 33 18.293 -0.800 1.514 329 HG LEU 33 HG LEU 33 16.591 0.293 3.348 330 1HD1 LEU 33 HD11 LEU 33 19.238 -0.357 4.421 331 2HD1 LEU 33 HD12 LEU 33 18.560 -1.584 3.350 332 3HD1 LEU 33 HD13 LEU 33 17.665 -1.070 4.779 333 1HD2 LEU 33 HD21 LEU 33 19.186 1.709 3.734 334 2HD2 LEU 33 HD22 LEU 33 17.634 2.002 4.522 335 3HD2 LEU 33 HD23 LEU 33 17.862 2.431 2.823 336 H PHE 34 HN PHE 34 17.576 0.787 -1.038 337 HA PHE 34 HA PHE 34 19.464 -0.891 -2.350 338 1HB PHE 34 HB2 PHE 34 16.818 0.125 -2.837 339 2HB PHE 34 HB1 PHE 34 17.749 -0.055 -4.294 340 HD1 PHE 34 HD1 PHE 34 16.751 -1.932 -5.262 341 HD2 PHE 34 HD2 PHE 34 18.009 -1.924 -1.226 342 HE1 PHE 34 HE1 PHE 34 16.402 -4.349 -5.169 343 HE2 PHE 34 HE2 PHE 34 17.671 -4.344 -1.101 344 HZ PHE 34 HZ PHE 34 16.855 -5.588 -3.077 345 H SER 35 HN SER 35 18.848 2.351 -1.976 346 HA SER 35 HA SER 35 20.531 3.125 -4.286 347 1HB SER 35 HB2 SER 35 18.346 4.423 -3.136 348 2HB SER 35 HB1 SER 35 19.741 5.379 -2.643 349 HG SER 35 HG SER 35 18.656 4.975 -5.151 350 H LYS 36 HN LYS 36 20.712 2.836 -0.811 351 HA LYS 36 HA LYS 36 23.091 4.464 -0.613 352 1HB LYS 36 HB2 LYS 36 22.144 2.447 1.410 353 2HB LYS 36 HB1 LYS 36 23.194 3.826 1.686 354 1HG LYS 36 HG2 LYS 36 21.137 5.209 0.920 355 2HG LYS 36 HG1 LYS 36 20.252 3.731 1.302 356 1HD LYS 36 HD2 LYS 36 22.122 5.090 3.221 357 2HD LYS 36 HD1 LYS 36 20.376 5.362 3.185 358 1HE LYS 36 HE2 LYS 36 20.011 3.503 4.343 359 2HE LYS 36 HE1 LYS 36 20.918 2.553 3.162 360 1HZ LYS 36 HZ1 LYS 36 22.888 2.829 4.350 361 2HZ LYS 36 HZ2 LYS 36 21.737 2.563 5.561 362 3HZ LYS 36 HZ3 LYS 36 22.293 4.130 5.253 363 H HIS 37 HN HIS 37 22.268 1.125 -0.814 364 HA HIS 37 HA HIS 37 24.879 0.081 -0.463 365 1HB HIS 37 HB2 HIS 37 23.621 -1.725 -0.225 366 2HB HIS 37 HB1 HIS 37 22.218 -0.920 -0.826 367 HD1 HIS 37 HD1 HIS 37 24.801 -3.406 -1.776 368 HD2 HIS 37 HD2 HIS 37 21.631 -1.364 -3.508 369 HE1 HIS 37 HE1 HIS 37 24.318 -4.628 -3.922 370 HE2 HIS 37 HE2 HIS 37 22.313 -3.448 -4.897 371 H GLU 38 HN GLU 38 22.835 0.266 -3.330 372 HA GLU 38 HA GLU 38 25.103 -0.082 -5.084 373 1HB GLU 38 HB2 GLU 38 22.170 -0.126 -5.339 374 2HB GLU 38 HB1 GLU 38 23.017 0.523 -6.735 375 1HG GLU 38 HG2 GLU 38 24.105 -1.975 -5.643 376 2HG GLU 38 HG1 GLU 38 22.494 -2.088 -6.351 Start of MODEL 7 1 1H VAL 1 HT1 VAL 1 -28.081 2.915 1.847 2 2H VAL 1 HT2 VAL 1 -29.657 2.783 2.514 3 3H VAL 1 HT3 VAL 1 -29.445 2.834 0.812 4 HA VAL 1 HA VAL 1 -29.921 0.633 1.595 5 HB VAL 1 HB VAL 1 -27.878 -0.478 0.610 6 1HG1 VAL 1 HG11 VAL 1 -29.586 1.548 -0.697 7 2HG1 VAL 1 HG12 VAL 1 -29.399 -0.173 -1.038 8 3HG1 VAL 1 HG13 VAL 1 -28.192 0.977 -1.616 9 1HG2 VAL 1 HG21 VAL 1 -26.455 1.583 1.417 10 2HG2 VAL 1 HG22 VAL 1 -26.896 2.224 -0.165 11 3HG2 VAL 1 HG23 VAL 1 -26.022 0.697 -0.045 12 H MET 2 HN MET 2 -28.579 -1.373 2.376 13 HA MET 2 HA MET 2 -28.041 -0.962 5.125 14 1HB MET 2 HB2 MET 2 -28.259 -3.222 3.243 15 2HB MET 2 HB1 MET 2 -27.219 -3.487 4.621 16 1HG MET 2 HG2 MET 2 -29.127 -2.741 6.075 17 2HG MET 2 HG1 MET 2 -30.128 -2.788 4.625 18 1HE MET 2 HE1 MET 2 -31.570 -4.260 4.363 19 2HE MET 2 HE2 MET 2 -31.847 -5.134 5.869 20 3HE MET 2 HE3 MET 2 -31.440 -6.018 4.397 21 HA PRO 3 HA PRO 3 -23.601 -0.750 4.934 22 1HB PRO 3 HB2 PRO 3 -22.916 -1.494 7.362 23 2HB PRO 3 HB1 PRO 3 -24.175 -0.270 7.203 24 1HG PRO 3 HG2 PRO 3 -24.488 -3.226 7.590 25 2HG PRO 3 HG1 PRO 3 -25.203 -1.911 8.552 26 1HD PRO 3 HD2 PRO 3 -26.499 -3.153 6.457 27 2HD PRO 3 HD1 PRO 3 -26.838 -1.490 6.981 28 H LYS 4 HN LYS 4 -21.814 -2.641 6.314 29 HA LYS 4 HA LYS 4 -20.712 -4.600 6.035 30 1HB LYS 4 HB2 LYS 4 -23.055 -5.539 6.334 31 2HB LYS 4 HB1 LYS 4 -23.129 -5.653 4.582 32 1HG LYS 4 HG2 LYS 4 -20.702 -6.851 5.440 33 2HG LYS 4 HG1 LYS 4 -22.017 -7.488 6.429 34 1HD LYS 4 HD2 LYS 4 -22.332 -8.912 4.722 35 2HD LYS 4 HD1 LYS 4 -23.126 -7.544 3.940 36 1HE LYS 4 HE2 LYS 4 -20.291 -7.366 3.555 37 2HE LYS 4 HE1 LYS 4 -20.855 -8.964 3.068 38 1HZ LYS 4 HZ1 LYS 4 -21.731 -6.330 2.040 39 2HZ LYS 4 HZ2 LYS 4 -22.622 -7.742 1.769 40 3HZ LYS 4 HZ3 LYS 4 -21.042 -7.613 1.179 41 H GLN 5 HN GLN 5 -22.206 -3.054 3.310 42 HA GLN 5 HA GLN 5 -20.309 -4.341 1.509 43 1HB GLN 5 HB2 GLN 5 -21.986 -4.304 0.025 44 2HB GLN 5 HB1 GLN 5 -23.001 -3.587 1.253 45 1HG GLN 5 HG2 GLN 5 -23.068 -2.335 -0.855 46 2HG GLN 5 HG1 GLN 5 -22.485 -1.393 0.466 47 1HE2 GLN 5 HE21 GLN 5 -21.157 -3.408 -2.052 48 2HE2 GLN 5 HE22 GLN 5 -19.872 -2.339 -2.389 49 H ILE 6 HN ILE 6 -21.139 -1.314 2.900 50 HA ILE 6 HA ILE 6 -19.167 0.118 1.391 51 HB ILE 6 HB ILE 6 -19.796 1.953 3.109 52 1HG1 ILE 6 HG12 ILE 6 -22.075 1.849 3.929 53 2HG1 ILE 6 HG11 ILE 6 -22.282 0.241 3.287 54 1HG2 ILE 6 HG21 ILE 6 -20.218 1.962 0.720 55 2HG2 ILE 6 HG22 ILE 6 -21.551 2.693 1.620 56 3HG2 ILE 6 HG23 ILE 6 -21.705 1.051 0.988 57 1HD1 ILE 6 HD11 ILE 6 -21.647 0.781 5.833 58 2HD1 ILE 6 HD12 ILE 6 -20.029 0.618 5.148 59 3HD1 ILE 6 HD13 ILE 6 -21.183 -0.710 5.017 60 H VAL 7 HN VAL 7 -19.593 -1.515 4.397 61 HA VAL 7 HA VAL 7 -17.365 -0.391 5.784 62 HB VAL 7 HB VAL 7 -19.539 -1.632 6.671 63 1HG1 VAL 7 HG11 VAL 7 -19.021 -3.765 5.560 64 2HG1 VAL 7 HG12 VAL 7 -19.137 -3.928 7.312 65 3HG1 VAL 7 HG13 VAL 7 -17.556 -3.898 6.532 66 1HG2 VAL 7 HG21 VAL 7 -16.887 -2.065 7.994 67 2HG2 VAL 7 HG22 VAL 7 -18.465 -1.887 8.763 68 3HG2 VAL 7 HG23 VAL 7 -17.725 -0.516 7.938 69 H TYR 8 HN TYR 8 -18.155 -3.197 3.901 70 HA TYR 8 HA TYR 8 -15.766 -4.688 4.081 71 1HB TYR 8 HB2 TYR 8 -18.200 -4.887 2.724 72 2HB TYR 8 HB1 TYR 8 -16.996 -4.749 1.449 73 HD1 TYR 8 HD1 TYR 8 -16.723 -6.904 0.602 74 HD2 TYR 8 HD2 TYR 8 -16.763 -6.295 4.791 75 HE1 TYR 8 HE1 TYR 8 -16.047 -9.192 0.939 76 HE2 TYR 8 HE2 TYR 8 -16.088 -8.524 5.147 77 HH TYR 8 HH TYR 8 -14.942 -10.578 2.651 78 H TRP 9 HN TRP 9 -17.009 -2.216 1.904 79 HA TRP 9 HA TRP 9 -14.773 -1.989 0.182 80 1HB TRP 9 HB2 TRP 9 -17.222 -0.492 0.826 81 2HB TRP 9 HB1 TRP 9 -15.871 0.538 0.345 82 HD1 TRP 9 HD1 TRP 9 -18.546 -1.454 -1.067 83 HE1 TRP 9 HE1 TRP 9 -18.124 -1.706 -3.626 84 HE3 TRP 9 HE3 TRP 9 -13.857 0.125 -1.198 85 HZ2 TRP 9 HZ2 TRP 9 -16.040 -1.275 -5.434 86 HZ3 TRP 9 HZ3 TRP 9 -12.642 0.213 -3.352 87 HH2 TRP 9 HH2 TRP 9 -13.749 -0.492 -5.427 88 H LYS 10 HN LYS 10 -15.980 0.039 2.662 89 HA LYS 10 HA LYS 10 -13.906 1.773 3.104 90 1HB LYS 10 HB2 LYS 10 -15.991 2.152 4.172 91 2HB LYS 10 HB1 LYS 10 -15.939 0.596 4.984 92 1HG LYS 10 HG2 LYS 10 -13.672 1.872 5.873 93 2HG LYS 10 HG1 LYS 10 -14.877 3.153 5.797 94 1HD LYS 10 HD2 LYS 10 -16.131 2.252 7.459 95 2HD LYS 10 HD1 LYS 10 -15.761 0.596 6.977 96 1HE LYS 10 HE2 LYS 10 -13.436 2.034 7.982 97 2HE LYS 10 HE1 LYS 10 -14.736 1.920 9.167 98 1HZ LYS 10 HZ1 LYS 10 -14.763 -0.550 8.458 99 2HZ LYS 10 HZ2 LYS 10 -13.566 -0.011 9.525 100 3HZ LYS 10 HZ3 LYS 10 -13.199 -0.240 7.890 101 H GLN 11 HN GLN 11 -14.416 -1.362 4.732 102 HA GLN 11 HA GLN 11 -11.945 -1.145 6.172 103 1HB GLN 11 HB2 GLN 11 -12.429 -3.290 7.040 104 2HB GLN 11 HB1 GLN 11 -13.981 -2.488 6.891 105 1HG GLN 11 HG2 GLN 11 -14.457 -3.705 4.864 106 2HG GLN 11 HG1 GLN 11 -12.858 -4.427 4.890 107 1HE2 GLN 11 HE21 GLN 11 -13.578 -4.432 8.070 108 2HE2 GLN 11 HE22 GLN 11 -14.393 -5.947 8.188 109 H TRP 12 HN TRP 12 -12.397 -1.481 3.042 110 HA TRP 12 HA TRP 12 -10.086 -3.263 2.648 111 1HB TRP 12 HB2 TRP 12 -12.330 -3.757 1.525 112 2HB TRP 12 HB1 TRP 12 -12.028 -2.394 0.515 113 HD1 TRP 12 HD1 TRP 12 -11.258 -5.939 0.843 114 HE1 TRP 12 HE1 TRP 12 -9.515 -6.609 -0.910 115 HE3 TRP 12 HE3 TRP 12 -10.053 -1.377 -0.616 116 HZ2 TRP 12 HZ2 TRP 12 -7.827 -5.291 -2.753 117 HZ3 TRP 12 HZ3 TRP 12 -8.350 -1.040 -2.417 118 HH2 TRP 12 HH2 TRP 12 -7.250 -3.011 -3.466 119 H LEU 13 HN LEU 13 -11.425 -0.051 1.895 120 HA LEU 13 HA LEU 13 -8.906 0.640 0.581 121 1HB LEU 13 HB2 LEU 13 -11.490 2.193 0.831 122 2HB LEU 13 HB1 LEU 13 -10.062 2.750 -0.017 123 HG LEU 13 HG LEU 13 -11.710 0.337 -0.770 124 1HD1 LEU 13 HD11 LEU 13 -13.073 1.910 -1.608 125 2HD1 LEU 13 HD12 LEU 13 -11.835 2.082 -2.855 126 3HD1 LEU 13 HD13 LEU 13 -11.855 3.179 -1.474 127 1HD2 LEU 13 HD21 LEU 13 -9.210 0.311 -1.276 128 2HD2 LEU 13 HD22 LEU 13 -9.541 1.634 -2.392 129 3HD2 LEU 13 HD23 LEU 13 -10.309 0.065 -2.633 130 H SER 14 HN SER 14 -10.340 0.765 3.619 131 HA SER 14 HA SER 14 -9.036 3.219 4.401 132 1HB SER 14 HB2 SER 14 -11.229 1.927 5.407 133 2HB SER 14 HB1 SER 14 -9.984 1.433 6.546 134 HG SER 14 HG SER 14 -11.227 3.813 6.304 135 H LEU 15 HN LEU 15 -8.723 -0.222 4.999 136 HA LEU 15 HA LEU 15 -6.268 0.107 6.429 137 1HB LEU 15 HB2 LEU 15 -7.598 -2.405 5.436 138 2HB LEU 15 HB1 LEU 15 -6.341 -2.285 6.649 139 HG LEU 15 HG LEU 15 -8.218 -2.566 7.961 140 1HD1 LEU 15 HD11 LEU 15 -8.760 -0.439 8.989 141 2HD1 LEU 15 HD12 LEU 15 -8.137 0.422 7.578 142 3HD1 LEU 15 HD13 LEU 15 -7.036 -0.493 8.611 143 1HD2 LEU 15 HD21 LEU 15 -10.138 -0.746 6.993 144 2HD2 LEU 15 HD22 LEU 15 -10.188 -2.511 6.959 145 3HD2 LEU 15 HD23 LEU 15 -9.483 -1.618 5.600 146 H ARG 16 HN ARG 16 -7.198 -1.608 3.487 147 HA ARG 16 HA ARG 16 -4.695 -2.286 2.585 148 1HB ARG 16 HB2 ARG 16 -7.176 -1.549 1.122 149 2HB ARG 16 HB1 ARG 16 -5.720 -1.885 0.225 150 1HG ARG 16 HG2 ARG 16 -7.220 -3.737 2.054 151 2HG ARG 16 HG1 ARG 16 -7.028 -3.874 0.306 152 1HD ARG 16 HD2 ARG 16 -4.545 -4.069 0.717 153 2HD ARG 16 HD1 ARG 16 -4.926 -4.218 2.432 154 HE ARG 16 HE ARG 16 -5.482 -6.388 2.046 155 1HH1 ARG 16 1HH1 ARG 16 -5.740 -4.655 -0.972 156 2HH1 ARG 16 2HH1 ARG 16 -6.121 -6.070 -1.895 157 1HH2 ARG 16 1HH2 ARG 16 -5.978 -8.250 0.834 158 2HH2 ARG 16 2HH2 ARG 16 -6.253 -8.111 -0.871 159 H ASN 17 HN ASN 17 -6.157 0.797 2.633 160 HA ASN 17 HA ASN 17 -4.636 2.175 0.777 161 1HB ASN 17 HB2 ASN 17 -6.504 2.750 2.868 162 2HB ASN 17 HB1 ASN 17 -5.270 3.947 2.824 163 1HD2 ASN 17 HD21 ASN 17 -7.374 5.097 2.310 164 2HD2 ASN 17 HD22 ASN 17 -7.707 5.301 0.636 165 HA PRO 18 HA PRO 18 -1.640 3.869 4.052 166 1HB PRO 18 HB2 PRO 18 -1.841 2.791 6.585 167 2HB PRO 18 HB1 PRO 18 -2.445 4.377 6.095 168 1HG PRO 18 HG2 PRO 18 -3.886 1.774 6.238 169 2HG PRO 18 HG1 PRO 18 -4.424 3.382 6.759 170 1HD PRO 18 HD2 PRO 18 -5.280 2.403 4.467 171 2HD PRO 18 HD1 PRO 18 -4.775 4.096 4.564 172 H ILE 19 HN ILE 19 -2.773 0.667 4.030 173 HA ILE 19 HA ILE 19 -0.327 -0.545 4.921 174 HB ILE 19 HB ILE 19 -2.721 -1.742 3.544 175 1HG1 ILE 19 HG12 ILE 19 -1.835 -1.570 6.418 176 2HG1 ILE 19 HG11 ILE 19 -3.275 -0.873 5.714 177 1HG2 ILE 19 HG21 ILE 19 -1.486 -3.562 3.199 178 2HG2 ILE 19 HG22 ILE 19 -1.378 -3.745 4.950 179 3HG2 ILE 19 HG23 ILE 19 -0.121 -2.872 4.077 180 1HD1 ILE 19 HD11 ILE 19 -2.716 -3.786 6.176 181 2HD1 ILE 19 HD12 ILE 19 -4.106 -3.175 5.279 182 3HD1 ILE 19 HD13 ILE 19 -3.913 -2.777 6.986 183 H LEU 20 HN LEU 20 -1.613 0.362 1.832 184 HA LEU 20 HA LEU 20 0.360 -1.154 0.365 185 1HB LEU 20 HB2 LEU 20 -0.502 -0.211 -1.610 186 2HB LEU 20 HB1 LEU 20 -1.886 -0.508 -0.582 187 HG LEU 20 HG LEU 20 -0.979 2.155 -0.130 188 1HD1 LEU 20 HD11 LEU 20 -1.595 1.571 -3.018 189 2HD1 LEU 20 HD12 LEU 20 0.018 1.918 -2.395 190 3HD1 LEU 20 HD13 LEU 20 -1.247 3.142 -2.297 191 1HD2 LEU 20 HD21 LEU 20 -3.449 1.190 -1.530 192 2HD2 LEU 20 HD22 LEU 20 -3.231 2.689 -0.622 193 3HD2 LEU 20 HD23 LEU 20 -3.208 1.137 0.217 194 H VAL 21 HN VAL 21 -0.184 2.081 1.501 195 HA VAL 21 HA VAL 21 1.970 3.448 0.424 196 HB VAL 21 HB VAL 21 0.368 3.549 2.916 197 1HG1 VAL 21 HG11 VAL 21 2.683 4.054 3.479 198 2HG1 VAL 21 HG12 VAL 21 1.586 5.418 3.743 199 3HG1 VAL 21 HG13 VAL 21 2.647 5.394 2.332 200 1HG2 VAL 21 HG21 VAL 21 0.749 5.504 0.658 201 2HG2 VAL 21 HG22 VAL 21 -0.366 5.695 2.014 202 3HG2 VAL 21 HG23 VAL 21 -0.597 4.379 0.855 203 H PHE 22 HN PHE 22 1.469 1.795 3.463 204 HA PHE 22 HA PHE 22 3.942 1.990 4.672 205 1HB PHE 22 HB2 PHE 22 2.439 1.106 6.118 206 2HB PHE 22 HB1 PHE 22 1.498 0.404 4.825 207 HD1 PHE 22 HD1 PHE 22 1.296 -1.703 4.754 208 HD2 PHE 22 HD2 PHE 22 4.781 -0.039 6.389 209 HE1 PHE 22 HE1 PHE 22 2.092 -3.979 5.292 210 HE2 PHE 22 HE2 PHE 22 5.636 -2.271 6.934 211 HZ PHE 22 HZ PHE 22 4.287 -4.262 6.366 212 H LEU 23 HN LEU 23 2.751 -0.016 2.140 213 HA LEU 23 HA LEU 23 5.074 -1.820 2.058 214 1HB LEU 23 HB2 LEU 23 2.674 -1.409 0.290 215 2HB LEU 23 HB1 LEU 23 4.034 -2.351 -0.279 216 HG LEU 23 HG LEU 23 1.938 -3.445 0.900 217 1HD1 LEU 23 HD11 LEU 23 3.818 -5.114 1.861 218 2HD1 LEU 23 HD12 LEU 23 4.796 -4.148 0.752 219 3HD1 LEU 23 HD13 LEU 23 3.383 -5.018 0.154 220 1HD2 LEU 23 HD21 LEU 23 3.674 -3.446 3.260 221 2HD2 LEU 23 HD22 LEU 23 1.913 -3.441 3.137 222 3HD2 LEU 23 HD23 LEU 23 2.820 -1.937 2.927 223 H LYS 24 HN LYS 24 3.897 0.964 0.537 224 HA LYS 24 HA LYS 24 5.680 1.128 -1.625 225 1HB LYS 24 HB2 LYS 24 3.473 2.531 -0.516 226 2HB LYS 24 HB1 LYS 24 4.703 3.686 -0.909 227 1HG LYS 24 HG2 LYS 24 3.948 3.592 -2.997 228 2HG LYS 24 HG1 LYS 24 4.592 1.949 -3.059 229 1HD LYS 24 HD2 LYS 24 2.329 1.418 -1.804 230 2HD LYS 24 HD1 LYS 24 1.804 2.872 -2.663 231 1HE LYS 24 HE2 LYS 24 3.016 1.600 -4.679 232 2HE LYS 24 HE1 LYS 24 2.553 0.202 -3.712 233 1HZ LYS 24 HZ1 LYS 24 0.563 2.288 -4.302 234 2HZ LYS 24 HZ2 LYS 24 0.327 0.644 -3.979 235 3HZ LYS 24 HZ3 LYS 24 0.934 1.131 -5.481 236 H THR 25 HN THR 25 5.576 2.532 1.545 237 HA THR 25 HA THR 25 7.913 4.080 1.300 238 HB THR 25 HB THR 25 6.327 4.778 2.917 239 HG1 THR 25 HG1 THR 25 8.362 3.505 4.417 240 1HG2 THR 25 HG21 THR 25 5.207 3.513 4.416 241 2HG2 THR 25 HG22 THR 25 6.547 2.387 4.637 242 3HG2 THR 25 HG23 THR 25 5.522 2.269 3.202 243 H ARG 26 HN ARG 26 7.154 0.921 2.759 244 HA ARG 26 HA ARG 26 9.674 0.390 3.849 245 1HB ARG 26 HB2 ARG 26 7.519 -1.350 2.688 246 2HB ARG 26 HB1 ARG 26 8.990 -2.049 3.357 247 1HG ARG 26 HG2 ARG 26 6.802 -0.573 4.761 248 2HG ARG 26 HG1 ARG 26 7.474 -2.155 5.110 249 1HD ARG 26 HD2 ARG 26 9.657 -0.821 5.564 250 2HD ARG 26 HD1 ARG 26 8.563 0.552 5.721 251 HE ARG 26 HE ARG 26 7.403 -0.875 7.457 252 1HH1 ARG 26 1HH1 ARG 26 10.826 -1.168 6.800 253 2HH1 ARG 26 2HH1 ARG 26 11.201 -1.751 8.385 254 1HH2 ARG 26 1HH2 ARG 26 7.907 -1.637 9.537 255 2HH2 ARG 26 2HH2 ARG 26 9.549 -2.018 9.936 256 H VAL 27 HN VAL 27 8.374 -0.090 0.659 257 HA VAL 27 HA VAL 27 10.656 -1.325 -0.520 258 HB VAL 27 HB VAL 27 8.003 -0.315 -1.325 259 1HG1 VAL 27 HG11 VAL 27 8.594 -0.658 -3.744 260 2HG1 VAL 27 HG12 VAL 27 10.283 -0.542 -3.248 261 3HG1 VAL 27 HG13 VAL 27 9.188 0.814 -2.981 262 1HG2 VAL 27 HG21 VAL 27 8.310 -2.637 -0.727 263 2HG2 VAL 27 HG22 VAL 27 9.563 -2.816 -1.957 264 3HG2 VAL 27 HG23 VAL 27 7.893 -2.510 -2.437 265 H LEU 28 HN LEU 28 9.661 1.873 0.170 266 HA LEU 28 HA LEU 28 11.189 3.227 -1.802 267 1HB LEU 28 HB2 LEU 28 9.868 4.948 -1.243 268 2HB LEU 28 HB1 LEU 28 8.956 3.787 -0.351 269 HG LEU 28 HG LEU 28 10.133 4.387 1.689 270 1HD1 LEU 28 HD11 LEU 28 12.137 5.316 1.521 271 2HD1 LEU 28 HD12 LEU 28 11.310 6.830 1.157 272 3HD1 LEU 28 HD13 LEU 28 11.867 5.791 -0.155 273 1HD2 LEU 28 HD21 LEU 28 9.333 7.062 0.868 274 2HD2 LEU 28 HD22 LEU 28 8.641 5.998 2.091 275 3HD2 LEU 28 HD23 LEU 28 8.172 5.819 0.401 276 H LYS 29 HN LYS 29 11.204 2.784 1.632 277 HA LYS 29 HA LYS 29 13.670 4.083 2.100 278 1HB LYS 29 HB2 LYS 29 13.507 3.337 4.362 279 2HB LYS 29 HB1 LYS 29 11.884 3.763 3.839 280 1HG LYS 29 HG2 LYS 29 11.323 1.435 3.545 281 2HG LYS 29 HG1 LYS 29 12.978 0.958 3.933 282 1HD LYS 29 HD2 LYS 29 11.439 2.605 5.887 283 2HD LYS 29 HD1 LYS 29 11.097 0.879 5.759 284 1HE LYS 29 HE2 LYS 29 12.758 0.679 7.260 285 2HE LYS 29 HE1 LYS 29 13.803 0.857 5.851 286 1HZ LYS 29 HZ1 LYS 29 13.853 3.267 6.303 287 2HZ LYS 29 HZ2 LYS 29 14.519 2.350 7.559 288 3HZ LYS 29 HZ3 LYS 29 12.969 3.006 7.722 289 H ARG 30 HN ARG 30 12.691 1.029 1.088 290 HA ARG 30 HA ARG 30 15.145 -0.325 1.629 291 1HB ARG 30 HB2 ARG 30 12.540 -0.918 0.352 292 2HB ARG 30 HB1 ARG 30 13.883 -1.948 -0.061 293 1HG ARG 30 HG2 ARG 30 13.709 -1.512 2.772 294 2HG ARG 30 HG1 ARG 30 12.194 -2.125 2.126 295 1HD ARG 30 HD2 ARG 30 14.283 -3.615 0.928 296 2HD ARG 30 HD1 ARG 30 14.613 -3.542 2.659 297 HE ARG 30 HE ARG 30 12.580 -5.052 1.380 298 1HH1 ARG 30 1HH1 ARG 30 13.251 -3.226 4.276 299 2HH1 ARG 30 2HH1 ARG 30 12.123 -4.111 5.246 300 1HH2 ARG 30 1HH2 ARG 30 11.093 -6.216 2.653 301 2HH2 ARG 30 2HH2 ARG 30 10.900 -5.809 4.326 302 H TRP 31 HN TRP 31 13.545 1.442 -0.847 303 HA TRP 31 HA TRP 31 15.197 0.856 -3.025 304 1HB TRP 31 HB2 TRP 31 12.813 2.210 -2.443 305 2HB TRP 31 HB1 TRP 31 13.869 3.356 -3.169 306 HD1 TRP 31 HD1 TRP 31 11.958 0.347 -3.895 307 HE1 TRP 31 HE1 TRP 31 12.094 -0.168 -6.407 308 HE3 TRP 31 HE3 TRP 31 15.416 3.591 -4.902 309 HZ2 TRP 31 HZ2 TRP 31 13.611 0.804 -8.598 310 HZ3 TRP 31 HZ3 TRP 31 16.292 3.867 -7.247 311 HH2 TRP 31 HH2 TRP 31 15.388 2.472 -9.064 312 H ARG 32 HN ARG 32 14.884 3.368 -0.496 313 HA ARG 32 HA ARG 32 16.954 5.083 -1.356 314 1HB ARG 32 HB2 ARG 32 15.894 4.273 1.314 315 2HB ARG 32 HB1 ARG 32 16.976 5.654 1.085 316 1HG ARG 32 HG2 ARG 32 15.312 6.694 -0.359 317 2HG ARG 32 HG1 ARG 32 14.245 5.325 -0.133 318 1HD ARG 32 HD2 ARG 32 13.709 5.889 1.974 319 2HD ARG 32 HD1 ARG 32 15.258 6.650 2.296 320 HE ARG 32 HE ARG 32 12.942 7.883 1.003 321 1HH1 ARG 32 1HH1 ARG 32 16.227 8.187 2.158 322 2HH1 ARG 32 2HH1 ARG 32 16.210 9.917 2.111 323 1HH2 ARG 32 1HH2 ARG 32 12.929 10.153 0.937 324 2HH2 ARG 32 2HH2 ARG 32 14.342 11.032 1.418 325 H LEU 33 HN LEU 33 16.786 2.409 0.834 326 HA LEU 33 HA LEU 33 19.396 2.154 1.697 327 1HB LEU 33 HB2 LEU 33 16.909 0.561 1.453 328 2HB LEU 33 HB1 LEU 33 18.340 -0.248 1.947 329 HG LEU 33 HG LEU 33 16.539 1.052 3.523 330 1HD1 LEU 33 HD11 LEU 33 18.791 -0.555 3.865 331 2HD1 LEU 33 HD12 LEU 33 17.624 -0.090 5.103 332 3HD1 LEU 33 HD13 LEU 33 19.086 0.868 4.863 333 1HD2 LEU 33 HD21 LEU 33 17.604 3.146 2.637 334 2HD2 LEU 33 HD22 LEU 33 19.028 2.706 3.582 335 3HD2 LEU 33 HD23 LEU 33 17.489 3.007 4.395 336 H PHE 34 HN PHE 34 17.572 0.833 -0.874 337 HA PHE 34 HA PHE 34 19.587 -0.953 -1.836 338 1HB PHE 34 HB2 PHE 34 16.876 -0.258 -2.494 339 2HB PHE 34 HB1 PHE 34 17.832 -0.639 -3.895 340 HD1 PHE 34 HD1 PHE 34 18.234 -1.863 -0.534 341 HD2 PHE 34 HD2 PHE 34 16.969 -2.736 -4.472 342 HE1 PHE 34 HE1 PHE 34 18.091 -4.235 0.053 343 HE2 PHE 34 HE2 PHE 34 16.807 -5.110 -3.915 344 HZ PHE 34 HZ PHE 34 17.367 -5.891 -1.637 345 H SER 35 HN SER 35 18.769 2.246 -2.084 346 HA SER 35 HA SER 35 20.437 2.655 -4.506 347 1HB SER 35 HB2 SER 35 18.114 3.990 -3.643 348 2HB SER 35 HB1 SER 35 19.433 5.135 -3.425 349 HG SER 35 HG SER 35 20.028 4.472 -5.659 350 H LYS 36 HN LYS 36 20.533 2.980 -1.076 351 HA LYS 36 HA LYS 36 22.833 4.761 -1.194 352 1HB LYS 36 HB2 LYS 36 22.502 5.191 1.040 353 2HB LYS 36 HB1 LYS 36 20.870 4.840 0.509 354 1HG LYS 36 HG2 LYS 36 21.023 3.695 2.498 355 2HG LYS 36 HG1 LYS 36 21.356 2.442 1.307 356 1HD LYS 36 HD2 LYS 36 23.830 3.641 1.925 357 2HD LYS 36 HD1 LYS 36 22.998 3.381 3.460 358 1HE LYS 36 HE2 LYS 36 22.990 1.110 3.230 359 2HE LYS 36 HE1 LYS 36 22.973 1.185 1.469 360 1HZ LYS 36 HZ1 LYS 36 25.295 1.650 3.257 361 2HZ LYS 36 HZ2 LYS 36 25.316 1.952 1.593 362 3HZ LYS 36 HZ3 LYS 36 25.087 0.377 2.163 363 H HIS 37 HN HIS 37 22.104 1.480 -1.048 364 HA HIS 37 HA HIS 37 24.502 0.580 0.226 365 1HB HIS 37 HB2 HIS 37 22.064 -0.596 -0.806 366 2HB HIS 37 HB1 HIS 37 23.471 -1.529 -1.276 367 HD1 HIS 37 HD1 HIS 37 24.632 -2.893 0.528 368 HD2 HIS 37 HD2 HIS 37 21.640 -0.418 2.003 369 HE1 HIS 37 HE1 HIS 37 24.308 -3.589 2.923 370 HE2 HIS 37 HE2 HIS 37 22.563 -2.010 3.823 371 H GLU 38 HN GLU 38 23.308 0.544 -3.124 372 HA GLU 38 HA GLU 38 25.940 -0.192 -4.093 373 1HB GLU 38 HB2 GLU 38 23.198 -0.159 -5.170 374 2HB GLU 38 HB1 GLU 38 24.453 0.245 -6.332 375 1HG GLU 38 HG2 GLU 38 24.537 -2.209 -4.609 376 2HG GLU 38 HG1 GLU 38 23.800 -2.174 -6.210 Start of MODEL 8 1 1H VAL 1 HT1 VAL 1 -29.044 1.515 -0.124 2 2H VAL 1 HT2 VAL 1 -28.058 1.752 1.260 3 3H VAL 1 HT3 VAL 1 -29.767 1.720 1.417 4 HA VAL 1 HA VAL 1 -29.908 -0.500 1.099 5 HB VAL 1 HB VAL 1 -27.940 -1.850 0.289 6 1HG1 VAL 1 HG11 VAL 1 -28.342 -0.238 -2.048 7 2HG1 VAL 1 HG12 VAL 1 -29.852 -0.371 -1.145 8 3HG1 VAL 1 HG13 VAL 1 -29.001 -1.827 -1.660 9 1HG2 VAL 1 HG21 VAL 1 -26.867 0.902 -0.295 10 2HG2 VAL 1 HG22 VAL 1 -26.255 -0.566 -1.057 11 3HG2 VAL 1 HG23 VAL 1 -26.128 -0.360 0.690 12 H MET 2 HN MET 2 -28.619 -2.404 2.190 13 HA MET 2 HA MET 2 -28.138 -1.649 4.848 14 1HB MET 2 HB2 MET 2 -28.166 -4.111 3.248 15 2HB MET 2 HB1 MET 2 -27.094 -4.155 4.626 16 1HG MET 2 HG2 MET 2 -29.017 -3.418 6.042 17 2HG MET 2 HG1 MET 2 -30.042 -3.632 4.623 18 1HE MET 2 HE1 MET 2 -30.776 -4.652 7.058 19 2HE MET 2 HE2 MET 2 -30.401 -6.304 7.547 20 3HE MET 2 HE3 MET 2 -31.560 -6.010 6.250 21 HA PRO 3 HA PRO 3 -23.721 -1.133 4.806 22 1HB PRO 3 HB2 PRO 3 -23.053 -1.666 7.293 23 2HB PRO 3 HB1 PRO 3 -24.392 -0.553 7.023 24 1HG PRO 3 HG2 PRO 3 -24.500 -3.494 7.589 25 2HG PRO 3 HG1 PRO 3 -25.332 -2.180 8.454 26 1HD PRO 3 HD2 PRO 3 -26.492 -3.630 6.422 27 2HD PRO 3 HD1 PRO 3 -26.945 -1.959 6.818 28 H LYS 4 HN LYS 4 -21.837 -2.783 6.337 29 HA LYS 4 HA LYS 4 -20.579 -4.659 6.215 30 1HB LYS 4 HB2 LYS 4 -22.835 -5.771 6.542 31 2HB LYS 4 HB1 LYS 4 -22.877 -5.996 4.800 32 1HG LYS 4 HG2 LYS 4 -21.219 -7.574 4.819 33 2HG LYS 4 HG1 LYS 4 -20.493 -6.950 6.302 34 1HD LYS 4 HD2 LYS 4 -22.289 -7.868 7.622 35 2HD LYS 4 HD1 LYS 4 -23.152 -8.368 6.167 36 1HE LYS 4 HE2 LYS 4 -22.161 -10.350 6.567 37 2HE LYS 4 HE1 LYS 4 -20.780 -9.594 5.773 38 1HZ LYS 4 HZ1 LYS 4 -21.133 -10.343 8.536 39 2HZ LYS 4 HZ2 LYS 4 -20.477 -8.798 8.325 40 3HZ LYS 4 HZ3 LYS 4 -19.711 -10.143 7.641 41 H GLN 5 HN GLN 5 -22.180 -3.508 3.326 42 HA GLN 5 HA GLN 5 -20.138 -4.731 1.663 43 1HB GLN 5 HB2 GLN 5 -21.792 -4.827 0.143 44 2HB GLN 5 HB1 GLN 5 -22.863 -4.112 1.337 45 1HG GLN 5 HG2 GLN 5 -23.162 -2.550 -0.210 46 2HG GLN 5 HG1 GLN 5 -21.646 -1.908 0.349 47 1HE2 GLN 5 HE21 GLN 5 -19.761 -2.739 -0.793 48 2HE2 GLN 5 HE22 GLN 5 -19.926 -2.995 -2.476 49 H ILE 6 HN ILE 6 -21.088 -1.762 3.048 50 HA ILE 6 HA ILE 6 -19.228 -0.196 1.508 51 HB ILE 6 HB ILE 6 -19.995 1.598 3.212 52 1HG1 ILE 6 HG12 ILE 6 -22.264 1.333 4.031 53 2HG1 ILE 6 HG11 ILE 6 -22.351 -0.292 3.401 54 1HG2 ILE 6 HG21 ILE 6 -21.822 2.175 1.719 55 2HG2 ILE 6 HG22 ILE 6 -21.810 0.526 1.088 56 3HG2 ILE 6 HG23 ILE 6 -20.415 1.579 0.833 57 1HD1 ILE 6 HD11 ILE 6 -21.756 0.331 5.947 58 2HD1 ILE 6 HD12 ILE 6 -20.133 0.250 5.260 59 3HD1 ILE 6 HD13 ILE 6 -21.210 -1.144 5.152 60 H VAL 7 HN VAL 7 -19.557 -1.857 4.506 61 HA VAL 7 HA VAL 7 -17.414 -0.596 5.907 62 HB VAL 7 HB VAL 7 -19.490 -2.013 6.781 63 1HG1 VAL 7 HG11 VAL 7 -18.800 -4.080 5.630 64 2HG1 VAL 7 HG12 VAL 7 -18.909 -4.282 7.379 65 3HG1 VAL 7 HG13 VAL 7 -17.332 -4.113 6.607 66 1HG2 VAL 7 HG21 VAL 7 -18.456 -2.092 8.856 67 2HG2 VAL 7 HG22 VAL 7 -17.633 -0.792 7.995 68 3HG2 VAL 7 HG23 VAL 7 -16.864 -2.370 8.151 69 H TYR 8 HN TYR 8 -18.029 -3.399 3.971 70 HA TYR 8 HA TYR 8 -15.563 -4.759 4.090 71 1HB TYR 8 HB2 TYR 8 -17.968 -5.093 2.755 72 2HB TYR 8 HB1 TYR 8 -16.832 -4.733 1.457 73 HD1 TYR 8 HD1 TYR 8 -16.281 -6.750 0.435 74 HD2 TYR 8 HD2 TYR 8 -16.409 -6.518 4.662 75 HE1 TYR 8 HE1 TYR 8 -15.362 -8.972 0.582 76 HE2 TYR 8 HE2 TYR 8 -15.500 -8.687 4.832 77 HH TYR 8 HH TYR 8 -15.194 -10.827 2.116 78 H TRP 9 HN TRP 9 -16.954 -2.315 1.963 79 HA TRP 9 HA TRP 9 -14.752 -1.857 0.259 80 1HB TRP 9 HB2 TRP 9 -17.263 -0.509 1.003 81 2HB TRP 9 HB1 TRP 9 -15.963 0.609 0.587 82 HD1 TRP 9 HD1 TRP 9 -18.602 -1.301 -0.951 83 HE1 TRP 9 HE1 TRP 9 -18.184 -1.378 -3.523 84 HE3 TRP 9 HE3 TRP 9 -13.909 0.302 -1.000 85 HZ2 TRP 9 HZ2 TRP 9 -16.112 -0.814 -5.305 86 HZ3 TRP 9 HZ3 TRP 9 -12.712 0.545 -3.142 87 HH2 TRP 9 HH2 TRP 9 -13.825 -0.019 -5.257 88 H LYS 10 HN LYS 10 -16.040 0.012 2.826 89 HA LYS 10 HA LYS 10 -14.047 1.812 3.331 90 1HB LYS 10 HB2 LYS 10 -16.142 2.063 4.406 91 2HB LYS 10 HB1 LYS 10 -16.028 0.477 5.152 92 1HG LYS 10 HG2 LYS 10 -13.812 1.850 6.078 93 2HG LYS 10 HG1 LYS 10 -15.121 3.030 6.104 94 1HD LYS 10 HD2 LYS 10 -16.355 0.836 7.129 95 2HD LYS 10 HD1 LYS 10 -14.711 0.618 7.731 96 1HE LYS 10 HE2 LYS 10 -15.161 3.278 8.197 97 2HE LYS 10 HE1 LYS 10 -16.750 2.571 8.487 98 1HZ LYS 10 HZ1 LYS 10 -15.170 2.700 10.443 99 2HZ LYS 10 HZ2 LYS 10 -14.299 1.453 9.705 100 3HZ LYS 10 HZ3 LYS 10 -15.907 1.203 10.165 101 H GLN 11 HN GLN 11 -14.405 -1.386 4.848 102 HA GLN 11 HA GLN 11 -11.898 -1.073 6.230 103 1HB GLN 11 HB2 GLN 11 -12.337 -3.139 7.234 104 2HB GLN 11 HB1 GLN 11 -13.925 -2.432 7.036 105 1HG GLN 11 HG2 GLN 11 -14.423 -3.847 5.201 106 2HG GLN 11 HG1 GLN 11 -12.754 -4.380 5.076 107 1HE2 GLN 11 HE21 GLN 11 -13.152 -4.345 8.316 108 2HE2 GLN 11 HE22 GLN 11 -13.758 -5.941 8.555 109 H TRP 12 HN TRP 12 -12.400 -1.389 3.151 110 HA TRP 12 HA TRP 12 -10.132 -3.211 2.682 111 1HB TRP 12 HB2 TRP 12 -12.391 -3.738 1.632 112 2HB TRP 12 HB1 TRP 12 -12.156 -2.367 0.618 113 HD1 TRP 12 HD1 TRP 12 -11.308 -5.898 0.905 114 HE1 TRP 12 HE1 TRP 12 -9.618 -6.532 -0.910 115 HE3 TRP 12 HE3 TRP 12 -10.234 -1.311 -0.588 116 HZ2 TRP 12 HZ2 TRP 12 -8.020 -5.182 -2.809 117 HZ3 TRP 12 HZ3 TRP 12 -8.606 -0.940 -2.445 118 HH2 TRP 12 HH2 TRP 12 -7.510 -2.890 -3.539 119 H LEU 13 HN LEU 13 -11.524 -0.018 1.881 120 HA LEU 13 HA LEU 13 -9.012 0.616 0.526 121 1HB LEU 13 HB2 LEU 13 -10.096 2.258 -0.632 122 2HB LEU 13 HB1 LEU 13 -11.414 1.138 -0.379 123 HG LEU 13 HG LEU 13 -12.300 3.271 0.007 124 1HD1 LEU 13 HD11 LEU 13 -13.225 1.924 1.615 125 2HD1 LEU 13 HD12 LEU 13 -12.645 3.303 2.546 126 3HD1 LEU 13 HD13 LEU 13 -11.728 1.801 2.529 127 1HD2 LEU 13 HD21 LEU 13 -10.595 4.206 2.161 128 2HD2 LEU 13 HD22 LEU 13 -11.170 5.049 0.721 129 3HD2 LEU 13 HD23 LEU 13 -9.732 4.030 0.632 130 H SER 14 HN SER 14 -10.416 0.859 3.557 131 HA SER 14 HA SER 14 -9.094 3.321 4.263 132 1HB SER 14 HB2 SER 14 -11.258 2.016 5.350 133 2HB SER 14 HB1 SER 14 -9.978 1.601 6.477 134 HG SER 14 HG SER 14 -9.808 3.644 7.074 135 H LEU 15 HN LEU 15 -8.752 -0.114 4.927 136 HA LEU 15 HA LEU 15 -6.276 0.268 6.302 137 1HB LEU 15 HB2 LEU 15 -7.579 -2.285 5.385 138 2HB LEU 15 HB1 LEU 15 -6.307 -2.115 6.571 139 HG LEU 15 HG LEU 15 -8.150 -2.415 7.917 140 1HD1 LEU 15 HD11 LEU 15 -8.140 0.567 7.483 141 2HD1 LEU 15 HD12 LEU 15 -7.013 -0.309 8.523 142 3HD1 LEU 15 HD13 LEU 15 -8.734 -0.281 8.913 143 1HD2 LEU 15 HD21 LEU 15 -10.129 -0.661 6.948 144 2HD2 LEU 15 HD22 LEU 15 -10.138 -2.427 6.955 145 3HD2 LEU 15 HD23 LEU 15 -9.479 -1.550 5.563 146 H ARG 16 HN ARG 16 -7.222 -1.562 3.428 147 HA ARG 16 HA ARG 16 -4.742 -2.228 2.492 148 1HB ARG 16 HB2 ARG 16 -7.258 -1.556 1.069 149 2HB ARG 16 HB1 ARG 16 -5.818 -1.872 0.138 150 1HG ARG 16 HG2 ARG 16 -7.223 -3.728 2.032 151 2HG ARG 16 HG1 ARG 16 -7.070 -3.890 0.281 152 1HD ARG 16 HD2 ARG 16 -4.559 -3.969 0.670 153 2HD ARG 16 HD1 ARG 16 -4.936 -4.179 2.378 154 HE ARG 16 HE ARG 16 -5.457 -6.089 0.222 155 1HH1 ARG 16 1HH1 ARG 16 -5.606 -5.312 3.628 156 2HH1 ARG 16 2HH1 ARG 16 -5.854 -6.954 4.114 157 1HH2 ARG 16 1HH2 ARG 16 -5.786 -8.244 0.870 158 2HH2 ARG 16 2HH2 ARG 16 -5.957 -8.615 2.553 159 H ASN 17 HN ASN 17 -6.209 0.852 2.491 160 HA ASN 17 HA ASN 17 -4.692 2.182 0.583 161 1HB ASN 17 HB2 ASN 17 -6.582 2.807 2.651 162 2HB ASN 17 HB1 ASN 17 -5.365 4.018 2.559 163 1HD2 ASN 17 HD21 ASN 17 -7.466 5.136 1.995 164 2HD2 ASN 17 HD22 ASN 17 -7.810 5.257 0.315 165 HA PRO 18 HA PRO 18 -1.739 3.991 3.860 166 1HB PRO 18 HB2 PRO 18 -1.978 2.979 6.416 167 2HB PRO 18 HB1 PRO 18 -2.583 4.545 5.875 168 1HG PRO 18 HG2 PRO 18 -4.008 1.938 6.057 169 2HG PRO 18 HG1 PRO 18 -4.565 3.552 6.536 170 1HD PRO 18 HD2 PRO 18 -5.381 2.521 4.254 171 2HD PRO 18 HD1 PRO 18 -4.880 4.217 4.317 172 H ILE 19 HN ILE 19 -2.837 0.788 3.846 173 HA ILE 19 HA ILE 19 -0.436 -0.400 4.844 174 HB ILE 19 HB ILE 19 -2.771 -1.607 3.387 175 1HG1 ILE 19 HG12 ILE 19 -1.959 -1.394 6.274 176 2HG1 ILE 19 HG11 ILE 19 -3.439 -0.835 5.530 177 1HG2 ILE 19 HG21 ILE 19 -1.720 -3.562 3.218 178 2HG2 ILE 19 HG22 ILE 19 -1.219 -3.499 4.907 179 3HG2 ILE 19 HG23 ILE 19 -0.230 -2.737 3.667 180 1HD1 ILE 19 HD11 ILE 19 -3.431 -3.566 5.057 181 2HD1 ILE 19 HD12 ILE 19 -4.387 -2.697 6.257 182 3HD1 ILE 19 HD13 ILE 19 -2.828 -3.390 6.705 183 H LEU 20 HN LEU 20 -1.651 0.337 1.675 184 HA LEU 20 HA LEU 20 0.369 -1.092 0.257 185 1HB LEU 20 HB2 LEU 20 -0.408 -0.055 -1.718 186 2HB LEU 20 HB1 LEU 20 -1.822 -0.408 -0.750 187 HG LEU 20 HG LEU 20 -0.966 2.242 -0.147 188 1HD1 LEU 20 HD11 LEU 20 -1.698 2.130 -3.014 189 2HD1 LEU 20 HD12 LEU 20 -0.024 1.777 -2.587 190 3HD1 LEU 20 HD13 LEU 20 -0.743 3.323 -2.134 191 1HD2 LEU 20 HD21 LEU 20 -3.198 2.773 -0.695 192 2HD2 LEU 20 HD22 LEU 20 -3.201 1.168 0.039 193 3HD2 LEU 20 HD23 LEU 20 -3.358 1.336 -1.710 194 H VAL 21 HN VAL 21 -0.170 2.096 1.464 195 HA VAL 21 HA VAL 21 2.004 3.492 0.495 196 HB VAL 21 HB VAL 21 0.358 3.473 2.952 197 1HG1 VAL 21 HG11 VAL 21 1.576 5.190 3.977 198 2HG1 VAL 21 HG12 VAL 21 2.581 5.425 2.544 199 3HG1 VAL 21 HG13 VAL 21 2.736 3.945 3.498 200 1HG2 VAL 21 HG21 VAL 21 -0.553 4.423 0.916 201 2HG2 VAL 21 HG22 VAL 21 0.804 5.552 0.819 202 3HG2 VAL 21 HG23 VAL 21 -0.348 5.667 2.152 203 H PHE 22 HN PHE 22 1.447 1.678 3.443 204 HA PHE 22 HA PHE 22 3.910 1.820 4.688 205 1HB PHE 22 HB2 PHE 22 2.452 0.836 6.086 206 2HB PHE 22 HB1 PHE 22 1.475 0.230 4.769 207 HD1 PHE 22 HD1 PHE 22 1.325 -1.909 4.449 208 HD2 PHE 22 HD2 PHE 22 4.738 -0.319 6.311 209 HE1 PHE 22 HE1 PHE 22 2.183 -4.196 4.754 210 HE2 PHE 22 HE2 PHE 22 5.642 -2.575 6.651 211 HZ PHE 22 HZ PHE 22 4.363 -4.537 5.855 212 H LEU 23 HN LEU 23 2.755 -0.059 2.018 213 HA LEU 23 HA LEU 23 5.179 -1.766 2.026 214 1HB LEU 23 HB2 LEU 23 2.917 -1.531 0.057 215 2HB LEU 23 HB1 LEU 23 4.315 -2.554 -0.214 216 HG LEU 23 HG LEU 23 3.461 -3.382 2.259 217 1HD1 LEU 23 HD11 LEU 23 1.452 -1.816 1.349 218 2HD1 LEU 23 HD12 LEU 23 1.259 -3.139 2.511 219 3HD1 LEU 23 HD13 LEU 23 0.932 -3.413 0.797 220 1HD2 LEU 23 HD21 LEU 23 3.867 -5.186 0.987 221 2HD2 LEU 23 HD22 LEU 23 3.407 -4.354 -0.497 222 3HD2 LEU 23 HD23 LEU 23 2.168 -5.076 0.529 223 H LYS 24 HN LYS 24 3.889 0.979 0.467 224 HA LYS 24 HA LYS 24 5.678 1.214 -1.678 225 1HB LYS 24 HB2 LYS 24 3.473 2.588 -0.519 226 2HB LYS 24 HB1 LYS 24 4.707 3.751 -0.877 227 1HG LYS 24 HG2 LYS 24 3.960 3.726 -2.972 228 2HG LYS 24 HG1 LYS 24 4.569 2.073 -3.084 229 1HD LYS 24 HD2 LYS 24 2.304 1.542 -1.839 230 2HD LYS 24 HD1 LYS 24 1.802 3.039 -2.633 231 1HE LYS 24 HE2 LYS 24 1.355 1.778 -4.423 232 2HE LYS 24 HE1 LYS 24 3.100 1.659 -4.639 233 1HZ LYS 24 HZ1 LYS 24 1.273 -0.386 -4.045 234 2HZ LYS 24 HZ2 LYS 24 2.346 -0.246 -2.745 235 3HZ LYS 24 HZ3 LYS 24 2.941 -0.508 -4.306 236 H THR 25 HN THR 25 5.591 2.480 1.543 237 HA THR 25 HA THR 25 7.923 4.057 1.358 238 HB THR 25 HB THR 25 6.328 4.697 2.991 239 HG1 THR 25 HG1 THR 25 7.521 4.481 4.949 240 1HG2 THR 25 HG21 THR 25 6.504 2.293 4.670 241 2HG2 THR 25 HG22 THR 25 5.571 2.130 3.180 242 3HG2 THR 25 HG23 THR 25 5.145 3.371 4.361 243 H ARG 26 HN ARG 26 7.155 0.845 2.683 244 HA ARG 26 HA ARG 26 9.673 0.280 3.780 245 1HB ARG 26 HB2 ARG 26 7.544 -1.436 2.534 246 2HB ARG 26 HB1 ARG 26 8.998 -2.137 3.238 247 1HG ARG 26 HG2 ARG 26 6.750 -0.706 4.595 248 2HG ARG 26 HG1 ARG 26 7.405 -2.299 4.924 249 1HD ARG 26 HD2 ARG 26 8.877 0.281 5.393 250 2HD ARG 26 HD1 ARG 26 7.968 -0.580 6.630 251 HE ARG 26 HE ARG 26 10.547 -1.302 5.544 252 1HH1 ARG 26 1HH1 ARG 26 7.739 -2.390 7.313 253 2HH1 ARG 26 2HH1 ARG 26 8.579 -3.689 8.089 254 1HH2 ARG 26 1HH2 ARG 26 11.649 -3.014 6.568 255 2HH2 ARG 26 2HH2 ARG 26 10.795 -4.044 7.667 256 H VAL 27 HN VAL 27 8.383 -0.062 0.573 257 HA VAL 27 HA VAL 27 10.640 -1.284 -0.656 258 HB VAL 27 HB VAL 27 8.005 -0.194 -1.419 259 1HG1 VAL 27 HG11 VAL 27 8.590 -0.419 -3.848 260 2HG1 VAL 27 HG12 VAL 27 10.282 -0.372 -3.353 261 3HG1 VAL 27 HG13 VAL 27 9.225 0.997 -3.013 262 1HG2 VAL 27 HG21 VAL 27 7.856 -2.329 -2.628 263 2HG2 VAL 27 HG22 VAL 27 8.284 -2.548 -0.931 264 3HG2 VAL 27 HG23 VAL 27 9.524 -2.685 -2.178 265 H LEU 28 HN LEU 28 9.690 1.892 0.171 266 HA LEU 28 HA LEU 28 11.250 3.309 -1.729 267 1HB LEU 28 HB2 LEU 28 9.943 5.019 -1.101 268 2HB LEU 28 HB1 LEU 28 9.015 3.833 -0.258 269 HG LEU 28 HG LEU 28 10.208 4.328 1.802 270 1HD1 LEU 28 HD11 LEU 28 11.961 5.766 0.016 271 2HD1 LEU 28 HD12 LEU 28 12.215 5.259 1.686 272 3HD1 LEU 28 HD13 LEU 28 11.405 6.788 1.342 273 1HD2 LEU 28 HD21 LEU 28 8.728 5.929 2.279 274 2HD2 LEU 28 HD22 LEU 28 8.259 5.840 0.582 275 3HD2 LEU 28 HD23 LEU 28 9.433 7.045 1.110 276 H LYS 29 HN LYS 29 11.228 2.731 1.689 277 HA LYS 29 HA LYS 29 13.716 3.951 2.224 278 1HB LYS 29 HB2 LYS 29 13.528 3.125 4.450 279 2HB LYS 29 HB1 LYS 29 11.906 3.563 3.940 280 1HG LYS 29 HG2 LYS 29 11.374 1.233 3.535 281 2HG LYS 29 HG1 LYS 29 13.024 0.765 3.956 282 1HD LYS 29 HD2 LYS 29 11.419 2.340 5.913 283 2HD LYS 29 HD1 LYS 29 11.087 0.618 5.724 284 1HE LYS 29 HE2 LYS 29 12.792 0.187 7.082 285 2HE LYS 29 HE1 LYS 29 13.881 0.861 5.870 286 1HZ LYS 29 HZ1 LYS 29 13.492 1.826 8.386 287 2HZ LYS 29 HZ2 LYS 29 12.588 2.886 7.428 288 3HZ LYS 29 HZ3 LYS 29 14.233 2.656 7.112 289 H ARG 30 HN ARG 30 12.691 0.954 1.079 290 HA ARG 30 HA ARG 30 15.118 -0.466 1.566 291 1HB ARG 30 HB2 ARG 30 12.523 -0.946 0.225 292 2HB ARG 30 HB1 ARG 30 13.854 -1.972 -0.226 293 1HG ARG 30 HG2 ARG 30 13.654 -1.700 2.623 294 2HG ARG 30 HG1 ARG 30 12.132 -2.239 1.928 295 1HD ARG 30 HD2 ARG 30 14.709 -3.538 1.132 296 2HD ARG 30 HD1 ARG 30 13.895 -4.011 2.622 297 HE ARG 30 HE ARG 30 11.927 -4.190 0.790 298 1HH1 ARG 30 1HH1 ARG 30 15.183 -5.448 0.875 299 2HH1 ARG 30 2HH1 ARG 30 14.800 -6.842 -0.077 300 1HH2 ARG 30 1HH2 ARG 30 11.426 -6.022 -0.460 301 2HH2 ARG 30 2HH2 ARG 30 12.669 -7.167 -0.838 302 H TRP 31 HN TRP 31 13.579 1.457 -0.824 303 HA TRP 31 HA TRP 31 15.252 0.964 -3.010 304 1HB TRP 31 HB2 TRP 31 12.882 2.321 -2.384 305 2HB TRP 31 HB1 TRP 31 13.963 3.492 -3.028 306 HD1 TRP 31 HD1 TRP 31 12.015 0.562 -3.948 307 HE1 TRP 31 HE1 TRP 31 12.183 0.183 -6.481 308 HE3 TRP 31 HE3 TRP 31 15.546 3.794 -4.725 309 HZ2 TRP 31 HZ2 TRP 31 13.749 1.243 -8.592 310 HZ3 TRP 31 HZ3 TRP 31 16.464 4.179 -7.038 311 HH2 TRP 31 HH2 TRP 31 15.563 2.901 -8.941 312 H ARG 32 HN ARG 32 14.949 3.330 -0.346 313 HA ARG 32 HA ARG 32 17.050 5.068 -1.066 314 1HB ARG 32 HB2 ARG 32 15.963 4.080 1.535 315 2HB ARG 32 HB1 ARG 32 17.059 5.461 1.412 316 1HG ARG 32 HG2 ARG 32 15.410 6.631 0.057 317 2HG ARG 32 HG1 ARG 32 14.329 5.258 0.163 318 1HD ARG 32 HD2 ARG 32 13.559 6.715 1.800 319 2HD ARG 32 HD1 ARG 32 14.495 5.509 2.667 320 HE ARG 32 HE ARG 32 16.304 7.155 2.782 321 1HH1 ARG 32 1HH1 ARG 32 13.088 8.344 2.074 322 2HH1 ARG 32 2HH1 ARG 32 13.425 9.940 2.648 323 1HH2 ARG 32 1HH2 ARG 32 16.733 9.255 3.533 324 2HH2 ARG 32 2HH2 ARG 32 15.490 10.459 3.473 325 H LEU 33 HN LEU 33 16.818 2.239 0.903 326 HA LEU 33 HA LEU 33 19.411 1.882 1.790 327 1HB LEU 33 HB2 LEU 33 16.907 0.346 1.400 328 2HB LEU 33 HB1 LEU 33 18.316 -0.505 1.879 329 HG LEU 33 HG LEU 33 16.486 0.721 3.484 330 1HD1 LEU 33 HD11 LEU 33 19.262 0.191 4.465 331 2HD1 LEU 33 HD12 LEU 33 18.222 -1.134 3.941 332 3HD1 LEU 33 HD13 LEU 33 17.724 -0.098 5.278 333 1HD2 LEU 33 HD21 LEU 33 17.598 2.852 2.761 334 2HD2 LEU 33 HD22 LEU 33 18.991 2.331 3.709 335 3HD2 LEU 33 HD23 LEU 33 17.439 2.604 4.503 336 H PHE 34 HN PHE 34 17.596 0.774 -0.884 337 HA PHE 34 HA PHE 34 19.611 -0.973 -1.937 338 1HB PHE 34 HB2 PHE 34 16.890 -0.254 -2.540 339 2HB PHE 34 HB1 PHE 34 17.840 -0.565 -3.963 340 HD1 PHE 34 HD1 PHE 34 16.990 -2.643 -4.636 341 HD2 PHE 34 HD2 PHE 34 18.259 -1.940 -0.664 342 HE1 PHE 34 HE1 PHE 34 16.845 -5.039 -4.187 343 HE2 PHE 34 HE2 PHE 34 18.123 -4.338 -0.183 344 HZ PHE 34 HZ PHE 34 17.408 -5.920 -1.946 345 H SER 35 HN SER 35 18.813 2.236 -2.005 346 HA SER 35 HA SER 35 20.411 2.763 -4.452 347 1HB SER 35 HB2 SER 35 18.143 4.075 -3.440 348 2HB SER 35 HB1 SER 35 19.482 5.188 -3.190 349 HG SER 35 HG SER 35 18.819 3.917 -5.635 350 H LYS 36 HN LYS 36 20.519 3.153 -0.985 351 HA LYS 36 HA LYS 36 22.836 4.870 -1.089 352 1HB LYS 36 HB2 LYS 36 22.557 5.178 1.152 353 2HB LYS 36 HB1 LYS 36 20.936 4.659 0.735 354 1HG LYS 36 HG2 LYS 36 21.264 2.521 1.640 355 2HG LYS 36 HG1 LYS 36 23.015 2.723 1.699 356 1HD LYS 36 HD2 LYS 36 22.002 2.917 3.923 357 2HD LYS 36 HD1 LYS 36 22.786 4.418 3.426 358 1HE LYS 36 HE2 LYS 36 20.142 4.607 2.522 359 2HE LYS 36 HE1 LYS 36 20.040 3.933 4.146 360 1HZ LYS 36 HZ1 LYS 36 21.293 5.772 4.996 361 2HZ LYS 36 HZ2 LYS 36 19.994 6.380 4.101 362 3HZ LYS 36 HZ3 LYS 36 21.551 6.390 3.442 363 H HIS 37 HN HIS 37 22.209 1.524 -0.968 364 HA HIS 37 HA HIS 37 24.742 0.702 0.053 365 1HB HIS 37 HB2 HIS 37 22.274 -0.553 -0.793 366 2HB HIS 37 HB1 HIS 37 23.664 -1.414 -1.419 367 HD1 HIS 37 HD1 HIS 37 23.916 -3.379 0.081 368 HD2 HIS 37 HD2 HIS 37 23.225 0.130 2.195 369 HE1 HIS 37 HE1 HIS 37 24.118 -4.007 2.507 370 HE2 HIS 37 HE2 HIS 37 23.761 -1.853 3.768 371 H GLU 38 HN GLU 38 23.278 0.699 -3.182 372 HA GLU 38 HA GLU 38 25.908 1.100 -4.352 373 1HB GLU 38 HB2 GLU 38 25.587 -0.740 -5.982 374 2HB GLU 38 HB1 GLU 38 25.767 -1.309 -4.328 375 1HG GLU 38 HG2 GLU 38 22.996 -0.890 -4.897 376 2HG GLU 38 HG1 GLU 38 23.717 -1.897 -6.153 Start of MODEL 9 1 1H VAL 1 HT1 VAL 1 -29.639 -4.601 3.921 2 2H VAL 1 HT2 VAL 1 -29.718 -5.736 5.205 3 3H VAL 1 HT3 VAL 1 -28.250 -5.511 4.345 4 HA VAL 1 HA VAL 1 -29.579 -3.741 6.257 5 HB VAL 1 HB VAL 1 -27.341 -3.678 7.268 6 1HG1 VAL 1 HG11 VAL 1 -28.605 -5.287 8.310 7 2HG1 VAL 1 HG12 VAL 1 -27.236 -6.251 7.754 8 3HG1 VAL 1 HG13 VAL 1 -28.752 -6.271 6.854 9 1HG2 VAL 1 HG21 VAL 1 -26.303 -5.942 5.714 10 2HG2 VAL 1 HG22 VAL 1 -25.478 -4.508 6.325 11 3HG2 VAL 1 HG23 VAL 1 -26.402 -4.420 4.827 12 H MET 2 HN MET 2 -28.519 -1.632 6.567 13 HA MET 2 HA MET 2 -28.230 -0.285 4.083 14 1HB MET 2 HB2 MET 2 -28.470 0.407 6.941 15 2HB MET 2 HB1 MET 2 -27.596 1.553 5.954 16 1HG MET 2 HG2 MET 2 -30.280 0.526 5.154 17 2HG MET 2 HG1 MET 2 -30.103 1.887 6.260 18 1HE MET 2 HE1 MET 2 -30.175 0.478 2.952 19 2HE MET 2 HE2 MET 2 -28.550 0.940 2.444 20 3HE MET 2 HE3 MET 2 -29.951 1.807 1.815 21 HA PRO 3 HA PRO 3 -23.693 0.199 5.385 22 1HB PRO 3 HB2 PRO 3 -22.867 -0.236 7.839 23 2HB PRO 3 HB1 PRO 3 -24.097 1.003 7.599 24 1HG PRO 3 HG2 PRO 3 -24.466 -1.857 8.416 25 2HG PRO 3 HG1 PRO 3 -25.083 -0.395 9.220 26 1HD PRO 3 HD2 PRO 3 -26.531 -1.884 7.391 27 2HD PRO 3 HD1 PRO 3 -26.814 -0.163 7.723 28 H LYS 4 HN LYS 4 -21.885 -1.566 6.892 29 HA LYS 4 HA LYS 4 -20.902 -3.605 6.864 30 1HB LYS 4 HB2 LYS 4 -23.321 -4.360 7.271 31 2HB LYS 4 HB1 LYS 4 -23.351 -4.754 5.558 32 1HG LYS 4 HG2 LYS 4 -22.837 -6.743 6.758 33 2HG LYS 4 HG1 LYS 4 -21.368 -6.218 5.933 34 1HD LYS 4 HD2 LYS 4 -20.361 -5.516 7.906 35 2HD LYS 4 HD1 LYS 4 -21.902 -5.386 8.759 36 1HE LYS 4 HE2 LYS 4 -21.264 -7.345 9.673 37 2HE LYS 4 HE1 LYS 4 -21.896 -8.018 8.171 38 1HZ LYS 4 HZ1 LYS 4 -19.503 -8.600 9.010 39 2HZ LYS 4 HZ2 LYS 4 -19.099 -7.150 8.239 40 3HZ LYS 4 HZ3 LYS 4 -19.816 -8.402 7.358 41 H GLN 5 HN GLN 5 -22.491 -2.449 3.959 42 HA GLN 5 HA GLN 5 -20.639 -3.972 2.321 43 1HB GLN 5 HB2 GLN 5 -22.395 -4.019 0.905 44 2HB GLN 5 HB1 GLN 5 -23.294 -2.997 2.008 45 1HG GLN 5 HG2 GLN 5 -23.385 -1.800 0.083 46 2HG GLN 5 HG1 GLN 5 -22.022 -1.052 0.876 47 1HE2 GLN 5 HE21 GLN 5 -20.226 -3.208 0.213 48 2HE2 GLN 5 HE22 GLN 5 -19.976 -3.107 -1.472 49 H ILE 6 HN ILE 6 -21.246 -0.832 3.531 50 HA ILE 6 HA ILE 6 -19.305 0.439 1.841 51 HB ILE 6 HB ILE 6 -19.775 2.382 3.491 52 1HG1 ILE 6 HG12 ILE 6 -22.010 2.412 4.429 53 2HG1 ILE 6 HG11 ILE 6 -22.311 0.781 3.886 54 1HG2 ILE 6 HG21 ILE 6 -21.591 3.105 2.059 55 2HG2 ILE 6 HG22 ILE 6 -21.816 1.441 1.513 56 3HG2 ILE 6 HG23 ILE 6 -20.321 2.300 1.134 57 1HD1 ILE 6 HD11 ILE 6 -21.164 -0.121 5.611 58 2HD1 ILE 6 HD12 ILE 6 -21.522 1.432 6.365 59 3HD1 ILE 6 HD13 ILE 6 -19.951 1.162 5.608 60 H VAL 7 HN VAL 7 -19.640 -1.026 4.948 61 HA VAL 7 HA VAL 7 -17.303 0.072 6.166 62 HB VAL 7 HB VAL 7 -19.475 -1.040 7.218 63 1HG1 VAL 7 HG11 VAL 7 -19.120 -3.314 7.959 64 2HG1 VAL 7 HG12 VAL 7 -17.583 -3.384 7.097 65 3HG1 VAL 7 HG13 VAL 7 -19.094 -3.242 6.198 66 1HG2 VAL 7 HG21 VAL 7 -18.254 -1.326 9.269 67 2HG2 VAL 7 HG22 VAL 7 -17.659 0.082 8.389 68 3HG2 VAL 7 HG23 VAL 7 -16.736 -1.419 8.378 69 H TYR 8 HN TYR 8 -18.298 -2.788 4.472 70 HA TYR 8 HA TYR 8 -15.960 -4.365 4.595 71 1HB TYR 8 HB2 TYR 8 -18.469 -4.530 3.373 72 2HB TYR 8 HB1 TYR 8 -17.329 -4.489 2.032 73 HD1 TYR 8 HD1 TYR 8 -17.154 -6.683 1.268 74 HD2 TYR 8 HD2 TYR 8 -16.993 -5.901 5.426 75 HE1 TYR 8 HE1 TYR 8 -16.542 -8.978 1.674 76 HE2 TYR 8 HE2 TYR 8 -16.379 -8.137 5.848 77 HH TYR 8 HH TYR 8 -16.664 -10.634 3.572 78 H TRP 9 HN TRP 9 -17.239 -1.969 2.355 79 HA TRP 9 HA TRP 9 -15.110 -1.875 0.502 80 1HB TRP 9 HB2 TRP 9 -17.445 -0.245 1.256 81 2HB TRP 9 HB1 TRP 9 -16.084 0.708 0.663 82 HD1 TRP 9 HD1 TRP 9 -18.963 -1.114 -0.531 83 HE1 TRP 9 HE1 TRP 9 -18.720 -1.452 -3.105 84 HE3 TRP 9 HE3 TRP 9 -14.180 0.102 -0.998 85 HZ2 TRP 9 HZ2 TRP 9 -16.730 -1.213 -5.051 86 HZ3 TRP 9 HZ3 TRP 9 -13.106 0.058 -3.222 87 HH2 TRP 9 HH2 TRP 9 -14.392 -0.601 -5.207 88 H LYS 10 HN LYS 10 -16.067 0.300 2.969 89 HA LYS 10 HA LYS 10 -13.903 1.950 3.210 90 1HB LYS 10 HB2 LYS 10 -15.898 2.472 4.376 91 2HB LYS 10 HB1 LYS 10 -15.871 0.949 5.248 92 1HG LYS 10 HG2 LYS 10 -13.504 2.143 5.964 93 2HG LYS 10 HG1 LYS 10 -14.644 3.482 5.892 94 1HD LYS 10 HD2 LYS 10 -15.686 1.083 7.209 95 2HD LYS 10 HD1 LYS 10 -14.306 1.816 8.032 96 1HE LYS 10 HE2 LYS 10 -16.785 3.309 7.186 97 2HE LYS 10 HE1 LYS 10 -16.508 2.675 8.807 98 1HZ LYS 10 HZ1 LYS 10 -14.275 4.079 8.417 99 2HZ LYS 10 HZ2 LYS 10 -15.663 4.712 9.149 100 3HZ LYS 10 HZ3 LYS 10 -15.366 5.001 7.509 101 H GLN 11 HN GLN 11 -14.434 -1.092 4.989 102 HA GLN 11 HA GLN 11 -11.876 -0.909 6.272 103 1HB GLN 11 HB2 GLN 11 -12.401 -2.975 7.292 104 2HB GLN 11 HB1 GLN 11 -13.925 -2.117 7.181 105 1HG GLN 11 HG2 GLN 11 -14.562 -3.424 5.257 106 2HG GLN 11 HG1 GLN 11 -12.996 -4.213 5.242 107 1HE2 GLN 11 HE21 GLN 11 -13.557 -3.992 8.451 108 2HE2 GLN 11 HE22 GLN 11 -14.416 -5.467 8.702 109 H TRP 12 HN TRP 12 -12.530 -1.368 3.210 110 HA TRP 12 HA TRP 12 -10.353 -3.306 2.731 111 1HB TRP 12 HB2 TRP 12 -12.673 -3.728 1.782 112 2HB TRP 12 HB1 TRP 12 -12.426 -2.376 0.749 113 HD1 TRP 12 HD1 TRP 12 -11.718 -5.940 1.028 114 HE1 TRP 12 HE1 TRP 12 -10.203 -6.666 -0.903 115 HE3 TRP 12 HE3 TRP 12 -10.574 -1.425 -0.611 116 HZ2 TRP 12 HZ2 TRP 12 -8.710 -5.407 -2.947 117 HZ3 TRP 12 HZ3 TRP 12 -9.089 -1.142 -2.599 118 HH2 TRP 12 HH2 TRP 12 -8.165 -3.147 -3.749 119 H LEU 13 HN LEU 13 -11.556 -0.074 1.889 120 HA LEU 13 HA LEU 13 -9.040 0.371 0.453 121 1HB LEU 13 HB2 LEU 13 -10.097 1.941 -0.798 122 2HB LEU 13 HB1 LEU 13 -11.514 1.027 -0.330 123 HG LEU 13 HG LEU 13 -12.161 3.238 -0.030 124 1HD1 LEU 13 HD11 LEU 13 -12.897 3.186 2.068 125 2HD1 LEU 13 HD12 LEU 13 -11.270 3.108 2.743 126 3HD1 LEU 13 HD13 LEU 13 -12.054 1.641 2.162 127 1HD2 LEU 13 HD21 LEU 13 -9.511 3.834 -0.007 128 2HD2 LEU 13 HD22 LEU 13 -9.971 4.196 1.656 129 3HD2 LEU 13 HD23 LEU 13 -10.806 4.985 0.318 130 H SER 14 HN SER 14 -10.357 0.798 3.505 131 HA SER 14 HA SER 14 -8.915 3.237 4.062 132 1HB SER 14 HB2 SER 14 -11.122 2.092 5.244 133 2HB SER 14 HB1 SER 14 -9.844 1.677 6.374 134 HG SER 14 HG SER 14 -10.609 3.659 6.979 135 H LEU 15 HN LEU 15 -8.722 -0.179 4.833 136 HA LEU 15 HA LEU 15 -6.219 0.133 6.179 137 1HB LEU 15 HB2 LEU 15 -7.699 -2.369 5.390 138 2HB LEU 15 HB1 LEU 15 -6.384 -2.240 6.541 139 HG LEU 15 HG LEU 15 -8.211 -2.340 7.943 140 1HD1 LEU 15 HD11 LEU 15 -8.014 0.608 7.351 141 2HD1 LEU 15 HD12 LEU 15 -6.906 -0.285 8.399 142 3HD1 LEU 15 HD13 LEU 15 -8.606 -0.125 8.844 143 1HD2 LEU 15 HD21 LEU 15 -10.213 -2.255 7.013 144 2HD2 LEU 15 HD22 LEU 15 -9.518 -1.492 5.572 145 3HD2 LEU 15 HD23 LEU 15 -10.077 -0.496 6.924 146 H ARG 16 HN ARG 16 -7.293 -1.787 3.405 147 HA ARG 16 HA ARG 16 -4.808 -2.561 2.521 148 1HB ARG 16 HB2 ARG 16 -7.413 -2.135 1.213 149 2HB ARG 16 HB1 ARG 16 -6.025 -2.364 0.170 150 1HG ARG 16 HG2 ARG 16 -5.800 -4.532 0.736 151 2HG ARG 16 HG1 ARG 16 -6.257 -4.231 2.414 152 1HD ARG 16 HD2 ARG 16 -8.372 -4.811 2.044 153 2HD ARG 16 HD1 ARG 16 -8.465 -3.807 0.602 154 HE ARG 16 HE ARG 16 -7.792 -5.645 -0.701 155 1HH1 ARG 16 1HH1 ARG 16 -8.023 -6.474 2.688 156 2HH1 ARG 16 2HH1 ARG 16 -8.043 -8.179 2.391 157 1HH2 ARG 16 1HH2 ARG 16 -7.816 -7.883 -1.081 158 2HH2 ARG 16 2HH2 ARG 16 -7.924 -8.978 0.256 159 H ASN 17 HN ASN 17 -6.181 0.531 2.361 160 HA ASN 17 HA ASN 17 -4.684 1.635 0.260 161 1HB ASN 17 HB2 ASN 17 -6.541 2.494 2.268 162 2HB ASN 17 HB1 ASN 17 -5.300 3.667 2.052 163 1HD2 ASN 17 HD21 ASN 17 -7.363 4.786 1.393 164 2HD2 ASN 17 HD22 ASN 17 -7.732 4.744 -0.286 165 HA PRO 18 HA PRO 18 -1.745 3.703 3.417 166 1HB PRO 18 HB2 PRO 18 -1.994 2.835 6.028 167 2HB PRO 18 HB1 PRO 18 -2.593 4.369 5.394 168 1HG PRO 18 HG2 PRO 18 -4.026 1.782 5.724 169 2HG PRO 18 HG1 PRO 18 -4.583 3.425 6.092 170 1HD PRO 18 HD2 PRO 18 -5.383 2.247 3.874 171 2HD PRO 18 HD1 PRO 18 -4.884 3.945 3.833 172 H ILE 19 HN ILE 19 -2.829 0.496 3.618 173 HA ILE 19 HA ILE 19 -0.442 -0.629 4.696 174 HB ILE 19 HB ILE 19 -2.752 -1.907 3.261 175 1HG1 ILE 19 HG12 ILE 19 -1.933 -1.604 6.139 176 2HG1 ILE 19 HG11 ILE 19 -3.409 -1.055 5.383 177 1HG2 ILE 19 HG21 ILE 19 -0.167 -3.004 3.717 178 2HG2 ILE 19 HG22 ILE 19 -1.596 -3.797 3.059 179 3HG2 ILE 19 HG23 ILE 19 -1.302 -3.807 4.797 180 1HD1 ILE 19 HD11 ILE 19 -4.169 -3.344 5.134 181 2HD1 ILE 19 HD12 ILE 19 -3.787 -2.987 6.818 182 3HD1 ILE 19 HD13 ILE 19 -2.663 -3.930 5.840 183 H LEU 20 HN LEU 20 -1.613 -0.116 1.475 184 HA LEU 20 HA LEU 20 0.461 -1.575 0.170 185 1HB LEU 20 HB2 LEU 20 -0.312 -0.673 -1.877 186 2HB LEU 20 HB1 LEU 20 -1.722 -1.038 -0.909 187 HG LEU 20 HG LEU 20 -0.991 1.686 -0.457 188 1HD1 LEU 20 HD11 LEU 20 -0.413 2.511 -2.433 189 2HD1 LEU 20 HD12 LEU 20 -1.817 1.761 -3.192 190 3HD1 LEU 20 HD13 LEU 20 -0.304 0.866 -3.060 191 1HD2 LEU 20 HD21 LEU 20 -3.248 2.080 -1.105 192 2HD2 LEU 20 HD22 LEU 20 -3.178 0.578 -0.183 193 3HD2 LEU 20 HD23 LEU 20 -3.330 0.526 -1.940 194 H VAL 21 HN VAL 21 -0.155 1.678 1.141 195 HA VAL 21 HA VAL 21 2.031 3.028 0.090 196 HB VAL 21 HB VAL 21 0.303 3.201 2.484 197 1HG1 VAL 21 HG11 VAL 21 2.641 3.792 3.062 198 2HG1 VAL 21 HG12 VAL 21 1.444 5.061 3.358 199 3HG1 VAL 21 HG13 VAL 21 2.502 5.153 1.948 200 1HG2 VAL 21 HG21 VAL 21 0.757 5.065 0.162 201 2HG2 VAL 21 HG22 VAL 21 -0.425 5.295 1.453 202 3HG2 VAL 21 HG23 VAL 21 -0.578 3.923 0.349 203 H PHE 22 HN PHE 22 1.388 1.486 3.178 204 HA PHE 22 HA PHE 22 3.782 1.800 4.504 205 1HB PHE 22 HB2 PHE 22 2.303 0.887 5.919 206 2HB PHE 22 HB1 PHE 22 1.398 0.147 4.618 207 HD1 PHE 22 HD1 PHE 22 4.598 -0.170 6.338 208 HD2 PHE 22 HD2 PHE 22 1.328 -2.015 4.458 209 HE1 PHE 22 HE1 PHE 22 5.559 -2.360 6.888 210 HE2 PHE 22 HE2 PHE 22 2.238 -4.241 4.987 211 HZ PHE 22 HZ PHE 22 4.378 -4.421 6.199 212 H LEU 23 HN LEU 23 2.817 -0.328 1.942 213 HA LEU 23 HA LEU 23 5.296 -1.937 2.196 214 1HB LEU 23 HB2 LEU 23 3.140 -1.924 0.097 215 2HB LEU 23 HB1 LEU 23 4.572 -2.932 -0.003 216 HG LEU 23 HG LEU 23 3.552 -3.551 2.485 217 1HD1 LEU 23 HD11 LEU 23 1.180 -3.792 0.772 218 2HD1 LEU 23 HD12 LEU 23 1.586 -2.158 1.313 219 3HD1 LEU 23 HD13 LEU 23 1.313 -3.443 2.499 220 1HD2 LEU 23 HD21 LEU 23 3.506 -5.648 1.634 221 2HD2 LEU 23 HD22 LEU 23 4.313 -4.887 0.263 222 3HD2 LEU 23 HD23 LEU 23 2.572 -5.165 0.219 223 H LYS 24 HN LYS 24 3.987 0.616 0.328 224 HA LYS 24 HA LYS 24 5.898 0.753 -1.700 225 1HB LYS 24 HB2 LYS 24 3.591 2.135 -0.801 226 2HB LYS 24 HB1 LYS 24 4.817 3.320 -1.118 227 1HG LYS 24 HG2 LYS 24 4.220 3.162 -3.251 228 2HG LYS 24 HG1 LYS 24 4.955 1.559 -3.231 229 1HD LYS 24 HD2 LYS 24 2.949 0.738 -3.720 230 2HD LYS 24 HD1 LYS 24 2.493 1.155 -2.063 231 1HE LYS 24 HE2 LYS 24 1.005 1.994 -3.987 232 2HE LYS 24 HE1 LYS 24 1.461 3.142 -2.730 233 1HZ LYS 24 HZ1 LYS 24 3.211 2.966 -5.055 234 2HZ LYS 24 HZ2 LYS 24 2.750 4.317 -4.147 235 3HZ LYS 24 HZ3 LYS 24 1.693 3.674 -5.300 236 H THR 25 HN THR 25 5.601 2.266 1.406 237 HA THR 25 HA THR 25 7.890 3.886 1.253 238 HB THR 25 HB THR 25 6.229 4.496 2.833 239 HG1 THR 25 HG1 THR 25 7.408 4.609 4.699 240 1HG2 THR 25 HG21 THR 25 5.183 3.168 4.368 241 2HG2 THR 25 HG22 THR 25 6.518 2.019 4.446 242 3HG2 THR 25 HG23 THR 25 5.437 2.021 3.049 243 H ARG 26 HN ARG 26 7.207 0.668 2.587 244 HA ARG 26 HA ARG 26 9.722 0.211 3.758 245 1HB ARG 26 HB2 ARG 26 7.663 -1.595 2.519 246 2HB ARG 26 HB1 ARG 26 9.127 -2.237 3.256 247 1HG ARG 26 HG2 ARG 26 6.821 -0.847 4.552 248 2HG ARG 26 HG1 ARG 26 7.529 -2.406 4.932 249 1HD ARG 26 HD2 ARG 26 9.591 -1.182 5.663 250 2HD ARG 26 HD1 ARG 26 8.685 0.317 5.460 251 HE ARG 26 HE ARG 26 7.097 -1.096 7.105 252 1HH1 ARG 26 1HH1 ARG 26 10.510 -0.370 7.210 253 2HH1 ARG 26 2HH1 ARG 26 10.591 -0.404 8.939 254 1HH2 ARG 26 1HH2 ARG 26 7.204 -1.139 9.380 255 2HH2 ARG 26 2HH2 ARG 26 8.716 -0.840 10.170 256 H VAL 27 HN VAL 27 8.485 -0.242 0.537 257 HA VAL 27 HA VAL 27 10.859 -1.371 -0.583 258 HB VAL 27 HB VAL 27 8.168 -0.502 -1.452 259 1HG1 VAL 27 HG11 VAL 27 9.321 0.652 -3.105 260 2HG1 VAL 27 HG12 VAL 27 8.826 -0.865 -3.855 261 3HG1 VAL 27 HG13 VAL 27 10.493 -0.643 -3.324 262 1HG2 VAL 27 HG21 VAL 27 8.785 -2.827 -0.766 263 2HG2 VAL 27 HG22 VAL 27 9.766 -2.930 -2.230 264 3HG2 VAL 27 HG23 VAL 27 8.021 -2.699 -2.351 265 H LEU 28 HN LEU 28 9.695 1.771 0.080 266 HA LEU 28 HA LEU 28 11.184 3.208 -1.861 267 1HB LEU 28 HB2 LEU 28 9.834 4.894 -1.238 268 2HB LEU 28 HB1 LEU 28 8.948 3.692 -0.374 269 HG LEU 28 HG LEU 28 10.127 4.248 1.673 270 1HD1 LEU 28 HD11 LEU 28 11.835 5.731 -0.140 271 2HD1 LEU 28 HD12 LEU 28 12.131 5.189 1.511 272 3HD1 LEU 28 HD13 LEU 28 11.289 6.711 1.222 273 1HD2 LEU 28 HD21 LEU 28 8.140 5.686 0.456 274 2HD2 LEU 28 HD22 LEU 28 9.296 6.938 0.907 275 3HD2 LEU 28 HD23 LEU 28 8.643 5.856 2.137 276 H LYS 29 HN LYS 29 11.197 2.652 1.552 277 HA LYS 29 HA LYS 29 13.663 3.909 2.094 278 1HB LYS 29 HB2 LYS 29 13.486 2.999 4.309 279 2HB LYS 29 HB1 LYS 29 11.881 3.511 3.808 280 1HG LYS 29 HG2 LYS 29 11.301 1.207 3.276 281 2HG LYS 29 HG1 LYS 29 12.916 0.684 3.754 282 1HD LYS 29 HD2 LYS 29 11.465 0.252 5.591 283 2HD LYS 29 HD1 LYS 29 12.447 1.652 6.024 284 1HE LYS 29 HE2 LYS 29 9.766 2.017 4.747 285 2HE LYS 29 HE1 LYS 29 9.891 1.691 6.475 286 1HZ LYS 29 HZ1 LYS 29 10.428 4.105 5.035 287 2HZ LYS 29 HZ2 LYS 29 11.714 3.669 6.043 288 3HZ LYS 29 HZ3 LYS 29 10.165 3.874 6.690 289 H ARG 30 HN ARG 30 12.708 0.945 0.810 290 HA ARG 30 HA ARG 30 15.137 -0.466 1.373 291 1HB ARG 30 HB2 ARG 30 14.055 -2.269 0.477 292 2HB ARG 30 HB1 ARG 30 12.645 -1.300 0.742 293 1HG ARG 30 HG2 ARG 30 12.183 -1.332 -1.409 294 2HG ARG 30 HG1 ARG 30 13.751 -0.677 -1.813 295 1HD ARG 30 HD2 ARG 30 14.485 -3.185 -1.303 296 2HD ARG 30 HD1 ARG 30 12.817 -3.486 -1.788 297 HE ARG 30 HE ARG 30 14.996 -2.608 -3.471 298 1HH1 ARG 30 1HH1 ARG 30 11.534 -2.890 -3.125 299 2HH1 ARG 30 2HH1 ARG 30 11.235 -2.836 -4.829 300 1HH2 ARG 30 1HH2 ARG 30 14.602 -2.536 -5.713 301 2HH2 ARG 30 2HH2 ARG 30 12.974 -2.633 -6.297 302 H TRP 31 HN TRP 31 13.610 1.463 -0.990 303 HA TRP 31 HA TRP 31 15.370 1.237 -3.138 304 1HB TRP 31 HB2 TRP 31 12.927 2.410 -2.484 305 2HB TRP 31 HB1 TRP 31 13.948 3.701 -2.983 306 HD1 TRP 31 HD1 TRP 31 12.186 0.779 -4.226 307 HE1 TRP 31 HE1 TRP 31 12.449 0.637 -6.776 308 HE3 TRP 31 HE3 TRP 31 15.583 4.219 -4.594 309 HZ2 TRP 31 HZ2 TRP 31 14.028 1.953 -8.731 310 HZ3 TRP 31 HZ3 TRP 31 16.551 4.853 -6.829 311 HH2 TRP 31 HH2 TRP 31 15.771 3.714 -8.868 312 H ARG 32 HN ARG 32 14.917 3.448 -0.364 313 HA ARG 32 HA ARG 32 16.983 5.274 -0.952 314 1HB ARG 32 HB2 ARG 32 15.816 4.193 1.575 315 2HB ARG 32 HB1 ARG 32 16.863 5.617 1.524 316 1HG ARG 32 HG2 ARG 32 15.230 6.744 0.105 317 2HG ARG 32 HG1 ARG 32 14.195 5.330 0.156 318 1HD ARG 32 HD2 ARG 32 13.728 5.586 2.400 319 2HD ARG 32 HD1 ARG 32 15.090 6.667 2.667 320 HE ARG 32 HE ARG 32 13.284 7.842 0.849 321 1HH1 ARG 32 1HH1 ARG 32 13.584 7.058 4.237 322 2HH1 ARG 32 2HH1 ARG 32 12.541 8.341 4.754 323 1HH2 ARG 32 1HH2 ARG 32 11.915 9.529 1.527 324 2HH2 ARG 32 2HH2 ARG 32 11.593 9.744 3.215 325 H LEU 33 HN LEU 33 16.753 2.382 0.939 326 HA LEU 33 HA LEU 33 19.321 2.075 1.911 327 1HB LEU 33 HB2 LEU 33 16.885 0.475 1.363 328 2HB LEU 33 HB1 LEU 33 18.309 -0.354 1.846 329 HG LEU 33 HG LEU 33 16.392 0.723 3.447 330 1HD1 LEU 33 HD11 LEU 33 17.490 -0.900 4.566 331 2HD1 LEU 33 HD12 LEU 33 18.440 0.444 5.199 332 3HD1 LEU 33 HD13 LEU 33 19.037 -0.490 3.827 333 1HD2 LEU 33 HD21 LEU 33 18.814 2.423 3.845 334 2HD2 LEU 33 HD22 LEU 33 17.214 2.598 4.571 335 3HD2 LEU 33 HD23 LEU 33 17.450 2.928 2.851 336 H PHE 34 HN PHE 34 17.653 1.023 -0.879 337 HA PHE 34 HA PHE 34 19.742 -0.626 -1.925 338 1HB PHE 34 HB2 PHE 34 17.051 0.110 -2.636 339 2HB PHE 34 HB1 PHE 34 18.080 -0.116 -4.019 340 HD1 PHE 34 HD1 PHE 34 18.324 -1.676 -0.783 341 HD2 PHE 34 HD2 PHE 34 17.283 -2.151 -4.853 342 HE1 PHE 34 HE1 PHE 34 18.184 -4.097 -0.450 343 HE2 PHE 34 HE2 PHE 34 17.123 -4.571 -4.551 344 HZ PHE 34 HZ PHE 34 17.573 -5.577 -2.337 345 H SER 35 HN SER 35 18.869 2.574 -1.879 346 HA SER 35 HA SER 35 20.636 3.249 -4.172 347 1HB SER 35 HB2 SER 35 18.253 4.450 -3.294 348 2HB SER 35 HB1 SER 35 19.534 5.592 -2.900 349 HG SER 35 HG SER 35 18.445 5.185 -5.239 350 H LYS 36 HN LYS 36 20.530 3.386 -0.703 351 HA LYS 36 HA LYS 36 22.750 5.229 -0.547 352 1HB LYS 36 HB2 LYS 36 22.291 5.419 1.668 353 2HB LYS 36 HB1 LYS 36 20.740 4.795 1.141 354 1HG LYS 36 HG2 LYS 36 21.245 2.618 1.936 355 2HG LYS 36 HG1 LYS 36 22.939 3.038 2.201 356 1HD LYS 36 HD2 LYS 36 21.616 2.971 4.290 357 2HD LYS 36 HD1 LYS 36 22.335 4.552 3.977 358 1HE LYS 36 HE2 LYS 36 19.600 4.087 2.940 359 2HE LYS 36 HE1 LYS 36 19.776 4.223 4.689 360 1HZ LYS 36 HZ1 LYS 36 19.342 6.342 3.380 361 2HZ LYS 36 HZ2 LYS 36 20.947 6.230 2.863 362 3HZ LYS 36 HZ3 LYS 36 20.600 6.380 4.511 363 H HIS 37 HN HIS 37 22.270 1.848 -0.621 364 HA HIS 37 HA HIS 37 24.805 1.122 0.483 365 1HB HIS 37 HB2 HIS 37 22.424 -0.226 -0.429 366 2HB HIS 37 HB1 HIS 37 23.854 -1.003 -1.079 367 HD1 HIS 37 HD1 HIS 37 24.786 -2.754 0.399 368 HD2 HIS 37 HD2 HIS 37 22.753 0.167 2.543 369 HE1 HIS 37 HE1 HIS 37 24.874 -3.501 2.799 370 HE2 HIS 37 HE2 HIS 37 23.727 -1.665 4.090 371 H GLU 38 HN GLU 38 23.452 1.151 -2.802 372 HA GLU 38 HA GLU 38 26.104 0.718 -3.911 373 1HB GLU 38 HB2 GLU 38 23.314 0.477 -4.887 374 2HB GLU 38 HB1 GLU 38 24.532 0.908 -6.076 375 1HG GLU 38 HG2 GLU 38 25.678 -1.096 -5.815 376 2HG GLU 38 HG1 GLU 38 24.931 -1.425 -4.252 Start of MODEL 10 1 1H VAL 1 HT1 VAL 1 -27.266 1.231 1.455 2 2H VAL 1 HT2 VAL 1 -28.227 0.152 0.529 3 3H VAL 1 HT3 VAL 1 -27.251 1.324 -0.257 4 HA VAL 1 HA VAL 1 -26.370 -0.938 -0.313 5 HB VAL 1 HB VAL 1 -24.074 -0.242 0.590 6 1HG1 VAL 1 HG11 VAL 1 -23.919 1.614 -1.191 7 2HG1 VAL 1 HG12 VAL 1 -25.613 1.240 -1.510 8 3HG1 VAL 1 HG13 VAL 1 -24.382 -0.009 -1.703 9 1HG2 VAL 1 HG21 VAL 1 -25.311 1.465 2.158 10 2HG2 VAL 1 HG22 VAL 1 -25.187 2.518 0.749 11 3HG2 VAL 1 HG23 VAL 1 -23.729 1.847 1.478 12 H MET 2 HN MET 2 -25.242 -2.596 0.839 13 HA MET 2 HA MET 2 -26.429 -3.277 3.298 14 1HB MET 2 HB2 MET 2 -24.505 -4.440 1.402 15 2HB MET 2 HB1 MET 2 -24.306 -4.951 3.061 16 1HG MET 2 HG2 MET 2 -26.732 -5.554 3.079 17 2HG MET 2 HG1 MET 2 -26.746 -5.225 1.347 18 1HE MET 2 HE1 MET 2 -24.492 -7.766 -0.204 19 2HE MET 2 HE2 MET 2 -25.207 -6.153 -0.241 20 3HE MET 2 HE3 MET 2 -26.236 -7.577 -0.395 21 HA PRO 3 HA PRO 3 -23.429 -1.679 6.146 22 1HB PRO 3 HB2 PRO 3 -23.630 -3.577 8.119 23 2HB PRO 3 HB1 PRO 3 -24.799 -2.292 7.846 24 1HG PRO 3 HG2 PRO 3 -25.097 -5.132 7.448 25 2HG PRO 3 HG1 PRO 3 -26.327 -3.867 7.327 26 1HD PRO 3 HD2 PRO 3 -24.888 -5.248 5.208 27 2HD PRO 3 HD1 PRO 3 -26.308 -4.194 5.095 28 H LYS 4 HN LYS 4 -23.041 -5.015 5.374 29 HA LYS 4 HA LYS 4 -20.315 -5.113 6.392 30 1HB LYS 4 HB2 LYS 4 -22.304 -7.111 5.418 31 2HB LYS 4 HB1 LYS 4 -20.597 -7.527 5.351 32 1HG LYS 4 HG2 LYS 4 -20.938 -6.516 7.906 33 2HG LYS 4 HG1 LYS 4 -22.399 -7.459 7.614 34 1HD LYS 4 HD2 LYS 4 -20.804 -8.937 8.576 35 2HD LYS 4 HD1 LYS 4 -20.906 -9.340 6.861 36 1HE LYS 4 HE2 LYS 4 -18.865 -7.353 7.702 37 2HE LYS 4 HE1 LYS 4 -18.581 -9.046 8.107 38 1HZ LYS 4 HZ1 LYS 4 -19.313 -9.212 5.532 39 2HZ LYS 4 HZ2 LYS 4 -17.710 -9.122 6.061 40 3HZ LYS 4 HZ3 LYS 4 -18.507 -7.725 5.537 41 H GLN 5 HN GLN 5 -22.011 -4.610 3.479 42 HA GLN 5 HA GLN 5 -19.852 -5.434 1.779 43 1HB GLN 5 HB2 GLN 5 -21.507 -5.591 0.276 44 2HB GLN 5 HB1 GLN 5 -22.601 -5.010 1.509 45 1HG GLN 5 HG2 GLN 5 -22.877 -3.732 -0.531 46 2HG GLN 5 HG1 GLN 5 -22.283 -2.743 0.752 47 1HE2 GLN 5 HE21 GLN 5 -20.990 -4.641 -1.876 48 2HE2 GLN 5 HE22 GLN 5 -19.807 -3.483 -2.282 49 H ILE 6 HN ILE 6 -20.968 -2.503 3.193 50 HA ILE 6 HA ILE 6 -19.179 -0.942 1.558 51 HB ILE 6 HB ILE 6 -19.906 0.916 3.148 52 1HG1 ILE 6 HG12 ILE 6 -22.146 0.657 4.083 53 2HG1 ILE 6 HG11 ILE 6 -22.136 -1.027 3.670 54 1HG2 ILE 6 HG21 ILE 6 -21.795 1.399 1.734 55 2HG2 ILE 6 HG22 ILE 6 -21.868 -0.295 1.245 56 3HG2 ILE 6 HG23 ILE 6 -20.475 0.694 0.799 57 1HD1 ILE 6 HD11 ILE 6 -20.745 -1.568 5.366 58 2HD1 ILE 6 HD12 ILE 6 -21.504 -0.147 6.076 59 3HD1 ILE 6 HD13 ILE 6 -19.911 -0.019 5.325 60 H VAL 7 HN VAL 7 -19.374 -2.447 4.657 61 HA VAL 7 HA VAL 7 -17.209 -1.052 5.891 62 HB VAL 7 HB VAL 7 -19.193 -2.452 6.948 63 1HG1 VAL 7 HG11 VAL 7 -18.517 -4.569 5.871 64 2HG1 VAL 7 HG12 VAL 7 -18.567 -4.676 7.629 65 3HG1 VAL 7 HG13 VAL 7 -17.018 -4.532 6.798 66 1HG2 VAL 7 HG21 VAL 7 -17.295 -1.145 7.991 67 2HG2 VAL 7 HG22 VAL 7 -16.503 -2.706 8.199 68 3HG2 VAL 7 HG23 VAL 7 -18.060 -2.398 8.966 69 H TYR 8 HN TYR 8 -17.780 -3.982 4.118 70 HA TYR 8 HA TYR 8 -15.243 -5.224 4.290 71 1HB TYR 8 HB2 TYR 8 -17.647 -5.803 3.057 72 2HB TYR 8 HB1 TYR 8 -16.577 -5.472 1.700 73 HD1 TYR 8 HD1 TYR 8 -15.936 -7.525 0.809 74 HD2 TYR 8 HD2 TYR 8 -15.941 -6.983 5.010 75 HE1 TYR 8 HE1 TYR 8 -14.865 -9.667 1.085 76 HE2 TYR 8 HE2 TYR 8 -14.882 -9.070 5.304 77 HH TYR 8 HH TYR 8 -13.483 -10.864 2.737 78 H TRP 9 HN TRP 9 -16.780 -2.951 2.086 79 HA TRP 9 HA TRP 9 -14.600 -2.607 0.292 80 1HB TRP 9 HB2 TRP 9 -17.175 -1.323 0.896 81 2HB TRP 9 HB1 TRP 9 -15.934 -0.193 0.347 82 HD1 TRP 9 HD1 TRP 9 -18.416 -2.495 -0.931 83 HE1 TRP 9 HE1 TRP 9 -17.984 -2.848 -3.477 84 HE3 TRP 9 HE3 TRP 9 -13.892 -0.507 -1.192 85 HZ2 TRP 9 HZ2 TRP 9 -15.953 -2.333 -5.324 86 HZ3 TRP 9 HZ3 TRP 9 -12.697 -0.429 -3.356 87 HH2 TRP 9 HH2 TRP 9 -13.742 -1.345 -5.380 88 H LYS 10 HN LYS 10 -15.962 -0.598 2.691 89 HA LYS 10 HA LYS 10 -14.073 1.357 3.020 90 1HB LYS 10 HB2 LYS 10 -16.180 1.551 4.110 91 2HB LYS 10 HB1 LYS 10 -15.936 0.053 4.990 92 1HG LYS 10 HG2 LYS 10 -13.818 1.568 5.798 93 2HG LYS 10 HG1 LYS 10 -15.111 2.754 5.636 94 1HD LYS 10 HD2 LYS 10 -16.525 1.497 7.113 95 2HD LYS 10 HD1 LYS 10 -15.368 0.165 7.154 96 1HE LYS 10 HE2 LYS 10 -14.808 2.955 8.156 97 2HE LYS 10 HE1 LYS 10 -15.313 1.610 9.179 98 1HZ LYS 10 HZ1 LYS 10 -12.919 1.899 9.222 99 2HZ LYS 10 HZ2 LYS 10 -12.835 1.704 7.544 100 3HZ LYS 10 HZ3 LYS 10 -13.319 0.411 8.521 101 H GLN 11 HN GLN 11 -14.232 -1.756 4.748 102 HA GLN 11 HA GLN 11 -11.782 -1.231 6.144 103 1HB GLN 11 HB2 GLN 11 -12.048 -3.337 7.144 104 2HB GLN 11 HB1 GLN 11 -13.684 -2.751 6.936 105 1HG GLN 11 HG2 GLN 11 -14.034 -4.177 5.062 106 2HG GLN 11 HG1 GLN 11 -12.335 -4.611 5.004 107 1HE2 GLN 11 HE21 GLN 11 -12.856 -4.591 8.226 108 2HE2 GLN 11 HE22 GLN 11 -13.377 -6.219 8.451 109 H TRP 12 HN TRP 12 -12.248 -1.730 3.046 110 HA TRP 12 HA TRP 12 -9.801 -3.319 2.664 111 1HB TRP 12 HB2 TRP 12 -11.997 -4.037 1.588 112 2HB TRP 12 HB1 TRP 12 -11.843 -2.674 0.548 113 HD1 TRP 12 HD1 TRP 12 -10.733 -6.124 0.927 114 HE1 TRP 12 HE1 TRP 12 -8.965 -6.659 -0.846 115 HE3 TRP 12 HE3 TRP 12 -10.000 -1.500 -0.648 116 HZ2 TRP 12 HZ2 TRP 12 -7.444 -5.226 -2.746 117 HZ3 TRP 12 HZ3 TRP 12 -8.370 -1.038 -2.486 118 HH2 TRP 12 HH2 TRP 12 -7.102 -2.916 -3.517 119 H LEU 13 HN LEU 13 -11.411 -0.259 1.829 120 HA LEU 13 HA LEU 13 -8.982 0.597 0.453 121 1HB LEU 13 HB2 LEU 13 -11.668 1.957 0.722 122 2HB LEU 13 HB1 LEU 13 -10.311 2.573 -0.203 123 HG LEU 13 HG LEU 13 -11.707 -0.036 -0.793 124 1HD1 LEU 13 HD11 LEU 13 -12.408 1.465 -2.850 125 2HD1 LEU 13 HD12 LEU 13 -12.247 2.754 -1.659 126 3HD1 LEU 13 HD13 LEU 13 -13.365 1.421 -1.370 127 1HD2 LEU 13 HD21 LEU 13 -10.016 1.514 -2.702 128 2HD2 LEU 13 HD22 LEU 13 -10.379 -0.211 -2.666 129 3HD2 LEU 13 HD23 LEU 13 -9.249 0.476 -1.501 130 H SER 14 HN SER 14 -10.415 0.744 3.506 131 HA SER 14 HA SER 14 -9.265 3.294 4.185 132 1HB SER 14 HB2 SER 14 -11.350 1.868 5.261 133 2HB SER 14 HB1 SER 14 -10.064 1.549 6.413 134 HG SER 14 HG SER 14 -11.554 3.690 6.274 135 H LEU 15 HN LEU 15 -8.686 -0.093 4.899 136 HA LEU 15 HA LEU 15 -6.264 0.486 6.301 137 1HB LEU 15 HB2 LEU 15 -7.387 -2.158 5.405 138 2HB LEU 15 HB1 LEU 15 -6.132 -1.896 6.597 139 HG LEU 15 HG LEU 15 -7.962 -2.282 7.944 140 1HD1 LEU 15 HD11 LEU 15 -6.956 -0.093 8.506 141 2HD1 LEU 15 HD12 LEU 15 -8.674 -0.169 8.900 142 3HD1 LEU 15 HD13 LEU 15 -8.137 0.686 7.450 143 1HD2 LEU 15 HD21 LEU 15 -9.923 -2.449 6.938 144 2HD2 LEU 15 HD22 LEU 15 -9.326 -1.498 5.568 145 3HD2 LEU 15 HD23 LEU 15 -10.049 -0.687 6.966 146 H ARG 16 HN ARG 16 -7.064 -1.407 3.425 147 HA ARG 16 HA ARG 16 -4.535 -1.916 2.516 148 1HB ARG 16 HB2 ARG 16 -7.051 -1.374 1.034 149 2HB ARG 16 HB1 ARG 16 -5.571 -1.616 0.142 150 1HG ARG 16 HG2 ARG 16 -6.935 -3.554 1.993 151 2HG ARG 16 HG1 ARG 16 -6.740 -3.691 0.244 152 1HD ARG 16 HD2 ARG 16 -4.289 -3.795 0.568 153 2HD ARG 16 HD1 ARG 16 -4.548 -3.765 2.309 154 HE ARG 16 HE ARG 16 -5.415 -5.940 0.520 155 1HH1 ARG 16 1HH1 ARG 16 -4.429 -4.796 3.677 156 2HH1 ARG 16 2HH1 ARG 16 -4.411 -6.379 4.374 157 1HH2 ARG 16 1HH2 ARG 16 -5.392 -8.014 1.450 158 2HH2 ARG 16 2HH2 ARG 16 -4.957 -8.201 3.116 159 H ASN 17 HN ASN 17 -6.222 1.055 2.460 160 HA ASN 17 HA ASN 17 -4.746 2.520 0.636 161 1HB ASN 17 HB2 ASN 17 -6.657 2.975 2.734 162 2HB ASN 17 HB1 ASN 17 -5.497 4.242 2.694 163 1HD2 ASN 17 HD21 ASN 17 -7.742 5.196 2.193 164 2HD2 ASN 17 HD22 ASN 17 -8.059 5.417 0.518 165 HA PRO 18 HA PRO 18 -1.918 4.304 4.080 166 1HB PRO 18 HB2 PRO 18 -2.089 2.989 6.511 167 2HB PRO 18 HB1 PRO 18 -2.764 4.582 6.153 168 1HG PRO 18 HG2 PRO 18 -4.073 1.911 6.068 169 2HG PRO 18 HG1 PRO 18 -4.707 3.453 6.669 170 1HD PRO 18 HD2 PRO 18 -5.450 2.562 4.299 171 2HD PRO 18 HD1 PRO 18 -5.065 4.275 4.515 172 H ILE 19 HN ILE 19 -2.828 1.026 3.847 173 HA ILE 19 HA ILE 19 -0.299 -0.074 4.645 174 HB ILE 19 HB ILE 19 -2.474 -1.366 3.021 175 1HG1 ILE 19 HG12 ILE 19 -1.849 -1.394 5.972 176 2HG1 ILE 19 HG11 ILE 19 -3.281 -0.734 5.210 177 1HG2 ILE 19 HG21 ILE 19 -0.248 -2.426 2.756 178 2HG2 ILE 19 HG22 ILE 19 -1.436 -3.476 3.527 179 3HG2 ILE 19 HG23 ILE 19 -0.204 -2.677 4.502 180 1HD1 ILE 19 HD11 ILE 19 -4.014 -2.941 4.574 181 2HD1 ILE 19 HD12 ILE 19 -3.697 -2.885 6.308 182 3HD1 ILE 19 HD13 ILE 19 -2.532 -3.644 5.223 183 H LEU 20 HN LEU 20 -1.678 0.998 1.677 184 HA LEU 20 HA LEU 20 0.256 -0.112 -0.087 185 1HB LEU 20 HB2 LEU 20 -1.465 2.350 -0.465 186 2HB LEU 20 HB1 LEU 20 -0.548 1.553 -1.725 187 HG LEU 20 HG LEU 20 -3.168 0.887 -0.595 188 1HD1 LEU 20 HD11 LEU 20 -2.169 -0.263 -3.123 189 2HD1 LEU 20 HD12 LEU 20 -2.258 1.496 -3.033 190 3HD1 LEU 20 HD13 LEU 20 -3.704 0.524 -2.758 191 1HD2 LEU 20 HD21 LEU 20 -2.952 -1.517 -0.897 192 2HD2 LEU 20 HD22 LEU 20 -1.856 -0.944 0.363 193 3HD2 LEU 20 HD23 LEU 20 -1.231 -1.333 -1.240 194 H VAL 21 HN VAL 21 -0.215 2.937 1.521 195 HA VAL 21 HA VAL 21 1.993 4.385 0.727 196 HB VAL 21 HB VAL 21 0.274 4.144 3.123 197 1HG1 VAL 21 HG11 VAL 21 2.744 5.840 2.986 198 2HG1 VAL 21 HG12 VAL 21 2.470 4.442 4.025 199 3HG1 VAL 21 HG13 VAL 21 1.518 5.916 4.256 200 1HG2 VAL 21 HG21 VAL 21 0.885 6.420 1.248 201 2HG2 VAL 21 HG22 VAL 21 -0.303 6.449 2.556 202 3HG2 VAL 21 HG23 VAL 21 -0.515 5.346 1.190 203 H PHE 22 HN PHE 22 1.436 2.304 3.488 204 HA PHE 22 HA PHE 22 3.957 2.322 4.673 205 1HB PHE 22 HB2 PHE 22 2.477 1.340 6.058 206 2HB PHE 22 HB1 PHE 22 1.468 0.824 4.737 207 HD1 PHE 22 HD1 PHE 22 4.753 0.091 6.161 208 HD2 PHE 22 HD2 PHE 22 1.201 -1.281 4.388 209 HE1 PHE 22 HE1 PHE 22 5.557 -2.212 6.407 210 HE2 PHE 22 HE2 PHE 22 1.949 -3.617 4.629 211 HZ PHE 22 HZ PHE 22 4.150 -4.082 5.622 212 H LEU 23 HN LEU 23 2.635 0.672 1.975 213 HA LEU 23 HA LEU 23 4.822 -1.237 1.625 214 1HB LEU 23 HB2 LEU 23 2.423 -0.454 0.004 215 2HB LEU 23 HB1 LEU 23 3.721 -1.342 -0.765 216 HG LEU 23 HG LEU 23 1.615 -2.524 0.344 217 1HD1 LEU 23 HD11 LEU 23 2.910 -4.030 -0.724 218 2HD1 LEU 23 HD12 LEU 23 3.492 -4.391 0.901 219 3HD1 LEU 23 HD13 LEU 23 4.407 -3.303 -0.143 220 1HD2 LEU 23 HD21 LEU 23 3.433 -3.067 2.553 221 2HD2 LEU 23 HD22 LEU 23 1.687 -2.802 2.552 222 3HD2 LEU 23 HD23 LEU 23 2.792 -1.420 2.529 223 H LYS 24 HN LYS 24 3.866 1.819 0.587 224 HA LYS 24 HA LYS 24 5.645 2.195 -1.564 225 1HB LYS 24 HB2 LYS 24 3.513 3.531 -0.237 226 2HB LYS 24 HB1 LYS 24 4.794 4.668 -0.487 227 1HG LYS 24 HG2 LYS 24 4.026 4.900 -2.559 228 2HG LYS 24 HG1 LYS 24 4.572 3.247 -2.853 229 1HD LYS 24 HD2 LYS 24 2.313 2.644 -1.670 230 2HD LYS 24 HD1 LYS 24 1.845 4.252 -2.234 231 1HE LYS 24 HE2 LYS 24 1.250 3.135 -4.104 232 2HE LYS 24 HE1 LYS 24 2.967 3.266 -4.480 233 1HZ LYS 24 HZ1 LYS 24 3.268 1.077 -4.214 234 2HZ LYS 24 HZ2 LYS 24 1.592 0.963 -4.410 235 3HZ LYS 24 HZ3 LYS 24 2.262 0.982 -2.858 236 H THR 25 HN THR 25 5.591 3.160 1.776 237 HA THR 25 HA THR 25 8.045 4.564 1.727 238 HB THR 25 HB THR 25 6.486 5.175 3.412 239 HG1 THR 25 HG1 THR 25 7.678 4.741 5.334 240 1HG2 THR 25 HG21 THR 25 6.556 2.535 4.768 241 2HG2 THR 25 HG22 THR 25 5.459 2.770 3.404 242 3HG2 THR 25 HG23 THR 25 5.336 3.808 4.829 243 H ARG 26 HN ARG 26 7.038 1.329 2.839 244 HA ARG 26 HA ARG 26 9.512 0.475 3.834 245 1HB ARG 26 HB2 ARG 26 7.217 -0.946 2.521 246 2HB ARG 26 HB1 ARG 26 8.616 -1.829 3.124 247 1HG ARG 26 HG2 ARG 26 6.543 -0.314 4.662 248 2HG ARG 26 HG1 ARG 26 7.068 -1.978 4.853 249 1HD ARG 26 HD2 ARG 26 9.286 -1.092 5.605 250 2HD ARG 26 HD1 ARG 26 8.572 0.520 5.582 251 HE ARG 26 HE ARG 26 7.214 -1.493 7.185 252 1HH1 ARG 26 1HH1 ARG 26 9.418 1.217 7.113 253 2HH1 ARG 26 2HH1 ARG 26 9.228 1.571 8.796 254 1HH2 ARG 26 1HH2 ARG 26 6.967 -1.024 9.396 255 2HH2 ARG 26 2HH2 ARG 26 7.840 0.300 10.092 256 H VAL 27 HN VAL 27 8.175 0.511 0.625 257 HA VAL 27 HA VAL 27 10.335 -0.825 -0.662 258 HB VAL 27 HB VAL 27 7.818 0.548 -1.395 259 1HG1 VAL 27 HG11 VAL 27 10.109 0.246 -3.285 260 2HG1 VAL 27 HG12 VAL 27 9.146 1.677 -2.919 261 3HG1 VAL 27 HG13 VAL 27 8.434 0.344 -3.828 262 1HG2 VAL 27 HG21 VAL 27 7.323 -1.488 -2.514 263 2HG2 VAL 27 HG22 VAL 27 8.069 -1.914 -0.974 264 3HG2 VAL 27 HG23 VAL 27 9.011 -1.999 -2.464 265 H LEU 28 HN LEU 28 9.654 2.355 0.372 266 HA LEU 28 HA LEU 28 11.316 3.786 -1.415 267 1HB LEU 28 HB2 LEU 28 10.267 5.561 -0.519 268 2HB LEU 28 HB1 LEU 28 9.221 4.398 0.214 269 HG LEU 28 HG LEU 28 10.537 4.477 2.263 270 1HD1 LEU 28 HD11 LEU 28 12.643 5.162 2.152 271 2HD1 LEU 28 HD12 LEU 28 12.014 6.809 2.077 272 3HD1 LEU 28 HD13 LEU 28 12.388 5.937 0.589 273 1HD2 LEU 28 HD21 LEU 28 8.771 6.381 1.304 274 2HD2 LEU 28 HD22 LEU 28 10.086 7.321 2.009 275 3HD2 LEU 28 HD23 LEU 28 9.234 6.124 2.985 276 H LYS 29 HN LYS 29 11.333 2.801 1.903 277 HA LYS 29 HA LYS 29 13.988 3.591 2.447 278 1HB LYS 29 HB2 LYS 29 13.737 2.508 4.573 279 2HB LYS 29 HB1 LYS 29 12.224 3.322 4.201 280 1HG LYS 29 HG2 LYS 29 11.322 1.143 3.413 281 2HG LYS 29 HG1 LYS 29 12.803 0.377 3.989 282 1HD LYS 29 HD2 LYS 29 11.405 2.125 5.915 283 2HD LYS 29 HD1 LYS 29 10.574 0.632 5.481 284 1HE LYS 29 HE2 LYS 29 13.403 0.223 6.011 285 2HE LYS 29 HE1 LYS 29 12.549 0.911 7.391 286 1HZ LYS 29 HZ1 LYS 29 11.360 -1.372 5.981 287 2HZ LYS 29 HZ2 LYS 29 11.228 -0.926 7.607 288 3HZ LYS 29 HZ3 LYS 29 12.647 -1.651 7.044 289 H ARG 30 HN ARG 30 12.530 0.994 0.880 290 HA ARG 30 HA ARG 30 14.723 -0.837 1.185 291 1HB ARG 30 HB2 ARG 30 13.339 -2.350 0.183 292 2HB ARG 30 HB1 ARG 30 12.106 -1.211 0.610 293 1HG ARG 30 HG2 ARG 30 11.593 -0.892 -1.514 294 2HG ARG 30 HG1 ARG 30 13.251 -0.547 -1.937 295 1HD ARG 30 HD2 ARG 30 13.710 -2.937 -2.118 296 2HD ARG 30 HD1 ARG 30 12.045 -3.289 -1.664 297 HE ARG 30 HE ARG 30 12.651 -1.732 -4.085 298 1HH1 ARG 30 1HH1 ARG 30 11.194 -4.526 -2.566 299 2HH1 ARG 30 2HH1 ARG 30 10.341 -5.004 -3.993 300 1HH2 ARG 30 1HH2 ARG 30 11.528 -2.368 -5.953 301 2HH2 ARG 30 2HH2 ARG 30 10.530 -3.783 -5.913 302 H TRP 31 HN TRP 31 13.414 1.538 -0.903 303 HA TRP 31 HA TRP 31 15.028 1.277 -3.158 304 1HB TRP 31 HB2 TRP 31 12.851 2.765 -2.243 305 2HB TRP 31 HB1 TRP 31 14.062 3.911 -2.661 306 HD1 TRP 31 HD1 TRP 31 11.766 1.494 -4.103 307 HE1 TRP 31 HE1 TRP 31 11.902 1.602 -6.664 308 HE3 TRP 31 HE3 TRP 31 15.702 4.322 -4.300 309 HZ2 TRP 31 HZ2 TRP 31 13.611 2.843 -8.557 310 HZ3 TRP 31 HZ3 TRP 31 16.678 5.032 -6.510 311 HH2 TRP 31 HH2 TRP 31 15.631 4.284 -8.609 312 H ARG 32 HN ARG 32 15.042 3.201 -0.171 313 HA ARG 32 HA ARG 32 17.320 4.768 -0.593 314 1HB ARG 32 HB2 ARG 32 16.111 3.473 1.820 315 2HB ARG 32 HB1 ARG 32 17.301 4.778 1.906 316 1HG ARG 32 HG2 ARG 32 14.683 5.084 0.465 317 2HG ARG 32 HG1 ARG 32 14.853 5.401 2.171 318 1HD ARG 32 HD2 ARG 32 16.868 6.855 1.361 319 2HD ARG 32 HD1 ARG 32 15.997 6.795 -0.171 320 HE ARG 32 HE ARG 32 14.518 8.306 0.681 321 1HH1 ARG 32 1HH1 ARG 32 16.126 6.734 3.348 322 2HH1 ARG 32 2HH1 ARG 32 15.372 7.726 4.551 323 1HH2 ARG 32 1HH2 ARG 32 13.524 9.610 2.259 324 2HH2 ARG 32 2HH2 ARG 32 13.894 9.359 3.932 325 H LEU 33 HN LEU 33 16.750 1.700 0.896 326 HA LEU 33 HA LEU 33 19.287 0.906 1.663 327 1HB LEU 33 HB2 LEU 33 16.603 -0.229 1.123 328 2HB LEU 33 HB1 LEU 33 17.895 -1.320 1.414 329 HG LEU 33 HG LEU 33 16.267 -0.143 3.251 330 1HD1 LEU 33 HD11 LEU 33 17.992 -1.036 4.930 331 2HD1 LEU 33 HD12 LEU 33 18.892 -1.563 3.507 332 3HD1 LEU 33 HD13 LEU 33 17.268 -2.183 3.803 333 1HD2 LEU 33 HD21 LEU 33 18.958 1.092 3.647 334 2HD2 LEU 33 HD22 LEU 33 17.453 1.434 4.504 335 3HD2 LEU 33 HD23 LEU 33 17.641 1.919 2.815 336 H PHE 34 HN PHE 34 17.327 0.419 -1.096 337 HA PHE 34 HA PHE 34 19.079 -1.382 -2.451 338 1HB PHE 34 HB2 PHE 34 16.490 -0.198 -2.884 339 2HB PHE 34 HB1 PHE 34 17.393 -0.413 -4.356 340 HD1 PHE 34 HD1 PHE 34 16.243 -2.206 -5.327 341 HD2 PHE 34 HD2 PHE 34 17.603 -2.345 -1.326 342 HE1 PHE 34 HE1 PHE 34 15.745 -4.598 -5.262 343 HE2 PHE 34 HE2 PHE 34 17.118 -4.743 -1.230 344 HZ PHE 34 HZ PHE 34 16.174 -5.900 -3.204 345 H SER 35 HN SER 35 18.714 1.880 -2.012 346 HA SER 35 HA SER 35 20.365 2.584 -4.371 347 1HB SER 35 HB2 SER 35 18.338 4.022 -3.080 348 2HB SER 35 HB1 SER 35 19.830 4.845 -2.635 349 HG SER 35 HG SER 35 19.368 5.739 -4.530 350 H LYS 36 HN LYS 36 20.554 2.336 -0.893 351 HA LYS 36 HA LYS 36 23.133 3.632 -0.784 352 1HB LYS 36 HB2 LYS 36 22.918 3.597 1.486 353 2HB LYS 36 HB1 LYS 36 21.229 3.450 1.038 354 1HG LYS 36 HG2 LYS 36 21.246 1.100 1.467 355 2HG LYS 36 HG1 LYS 36 22.995 1.107 1.707 356 1HD LYS 36 HD2 LYS 36 21.712 1.042 3.827 357 2HD LYS 36 HD1 LYS 36 22.767 2.449 3.693 358 1HE LYS 36 HE2 LYS 36 20.026 2.815 2.682 359 2HE LYS 36 HE1 LYS 36 20.163 2.559 4.422 360 1HZ LYS 36 HZ1 LYS 36 21.303 4.735 2.785 361 2HZ LYS 36 HZ2 LYS 36 21.954 4.359 4.300 362 3HZ LYS 36 HZ3 LYS 36 20.338 4.845 4.171 363 H HIS 37 HN HIS 37 21.935 0.474 -1.218 364 HA HIS 37 HA HIS 37 24.305 -0.920 -0.427 365 1HB HIS 37 HB2 HIS 37 21.638 -1.593 -1.313 366 2HB HIS 37 HB1 HIS 37 22.834 -2.564 -2.148 367 HD1 HIS 37 HD1 HIS 37 23.356 -4.670 -0.970 368 HD2 HIS 37 HD2 HIS 37 22.224 -1.665 1.667 369 HE1 HIS 37 HE1 HIS 37 23.381 -5.732 1.310 370 HE2 HIS 37 HE2 HIS 37 22.604 -3.920 2.878 371 H GLU 38 HN GLU 38 22.807 -0.160 -3.559 372 HA GLU 38 HA GLU 38 25.234 -0.979 -4.937 373 1HB GLU 38 HB2 GLU 38 22.405 -0.537 -5.680 374 2HB GLU 38 HB1 GLU 38 23.592 -0.137 -6.911 375 1HG GLU 38 HG2 GLU 38 24.512 -2.392 -6.766 376 2HG GLU 38 HG1 GLU 38 23.329 -2.791 -5.520 Start of MODEL 11 1 1H VAL 1 HT1 VAL 1 -27.749 1.665 2.234 2 2H VAL 1 HT2 VAL 1 -27.116 2.739 1.055 3 3H VAL 1 HT3 VAL 1 -26.310 2.538 2.558 4 HA VAL 1 HA VAL 1 -26.586 0.614 0.358 5 HB VAL 1 HB VAL 1 -24.022 1.336 1.703 6 1HG1 VAL 1 HG11 VAL 1 -23.544 -0.239 0.150 7 2HG1 VAL 1 HG12 VAL 1 -23.477 1.169 -0.911 8 3HG1 VAL 1 HG13 VAL 1 -24.932 0.173 -0.857 9 1HG2 VAL 1 HG21 VAL 1 -25.064 3.506 1.244 10 2HG2 VAL 1 HG22 VAL 1 -25.308 3.032 -0.436 11 3HG2 VAL 1 HG23 VAL 1 -23.674 3.222 0.198 12 H MET 2 HN MET 2 -25.226 -1.380 0.803 13 HA MET 2 HA MET 2 -26.225 -2.681 3.080 14 1HB MET 2 HB2 MET 2 -24.540 -3.328 0.760 15 2HB MET 2 HB1 MET 2 -24.255 -4.302 2.181 16 1HG MET 2 HG2 MET 2 -26.530 -5.027 2.233 17 2HG MET 2 HG1 MET 2 -26.957 -3.886 0.958 18 1HE MET 2 HE1 MET 2 -26.422 -7.336 1.796 19 2HE MET 2 HE2 MET 2 -26.441 -8.084 0.199 20 3HE MET 2 HE3 MET 2 -27.762 -7.025 0.695 21 HA PRO 3 HA PRO 3 -23.335 -0.954 6.089 22 1HB PRO 3 HB2 PRO 3 -23.848 -3.188 7.770 23 2HB PRO 3 HB1 PRO 3 -24.525 -1.572 7.893 24 1HG PRO 3 HG2 PRO 3 -25.670 -4.011 6.679 25 2HG PRO 3 HG1 PRO 3 -26.498 -2.638 7.437 26 1HD PRO 3 HD2 PRO 3 -26.520 -2.979 4.792 27 2HD PRO 3 HD1 PRO 3 -26.392 -1.353 5.501 28 H LYS 4 HN LYS 4 -23.348 -4.190 4.912 29 HA LYS 4 HA LYS 4 -20.668 -4.727 5.930 30 1HB LYS 4 HB2 LYS 4 -22.788 -6.390 4.614 31 2HB LYS 4 HB1 LYS 4 -21.133 -6.974 4.714 32 1HG LYS 4 HG2 LYS 4 -21.377 -7.564 6.839 33 2HG LYS 4 HG1 LYS 4 -22.056 -5.993 7.269 34 1HD LYS 4 HD2 LYS 4 -24.183 -6.955 6.046 35 2HD LYS 4 HD1 LYS 4 -23.434 -8.503 6.445 36 1HE LYS 4 HE2 LYS 4 -24.746 -8.141 8.301 37 2HE LYS 4 HE1 LYS 4 -23.208 -7.457 8.824 38 1HZ LYS 4 HZ1 LYS 4 -25.649 -6.037 7.954 39 2HZ LYS 4 HZ2 LYS 4 -24.141 -5.270 7.956 40 3HZ LYS 4 HZ3 LYS 4 -24.787 -5.867 9.400 41 H GLN 5 HN GLN 5 -22.224 -3.774 3.014 42 HA GLN 5 HA GLN 5 -20.022 -4.597 1.346 43 1HB GLN 5 HB2 GLN 5 -21.593 -4.569 -0.238 44 2HB GLN 5 HB1 GLN 5 -22.725 -4.030 0.975 45 1HG GLN 5 HG2 GLN 5 -22.849 -2.597 -0.968 46 2HG GLN 5 HG1 GLN 5 -22.266 -1.728 0.402 47 1HE2 GLN 5 HE21 GLN 5 -20.967 -3.498 -2.306 48 2HE2 GLN 5 HE22 GLN 5 -19.703 -2.385 -2.575 49 H ILE 6 HN ILE 6 -21.089 -1.719 2.914 50 HA ILE 6 HA ILE 6 -19.183 -0.115 1.471 51 HB ILE 6 HB ILE 6 -19.890 1.627 3.220 52 1HG1 ILE 6 HG12 ILE 6 -22.130 1.384 4.085 53 2HG1 ILE 6 HG11 ILE 6 -22.264 -0.216 3.413 54 1HG2 ILE 6 HG21 ILE 6 -20.352 1.618 0.822 55 2HG2 ILE 6 HG22 ILE 6 -21.661 2.337 1.767 56 3HG2 ILE 6 HG23 ILE 6 -21.822 0.694 1.137 57 1HD1 ILE 6 HD11 ILE 6 -21.649 0.191 5.934 58 2HD1 ILE 6 HD12 ILE 6 -20.022 0.354 5.266 59 3HD1 ILE 6 HD13 ILE 6 -20.933 -1.129 5.016 60 H VAL 7 HN VAL 7 -19.481 -1.876 4.416 61 HA VAL 7 HA VAL 7 -17.276 -0.672 5.786 62 HB VAL 7 HB VAL 7 -19.373 -1.953 6.741 63 1HG1 VAL 7 HG11 VAL 7 -17.409 -4.226 6.509 64 2HG1 VAL 7 HG12 VAL 7 -18.861 -4.059 5.524 65 3HG1 VAL 7 HG13 VAL 7 -18.999 -4.264 7.269 66 1HG2 VAL 7 HG21 VAL 7 -18.292 -2.092 8.764 67 2HG2 VAL 7 HG22 VAL 7 -17.336 -0.915 7.865 68 3HG2 VAL 7 HG23 VAL 7 -16.766 -2.575 8.027 69 H TYR 8 HN TYR 8 -18.019 -3.458 3.853 70 HA TYR 8 HA TYR 8 -15.593 -4.893 4.004 71 1HB TYR 8 HB2 TYR 8 -18.001 -4.895 2.365 72 2HB TYR 8 HB1 TYR 8 -16.558 -5.213 1.410 73 HD1 TYR 8 HD1 TYR 8 -14.859 -6.618 3.247 74 HD2 TYR 8 HD2 TYR 8 -19.040 -6.964 2.675 75 HE1 TYR 8 HE1 TYR 8 -14.775 -8.801 4.132 76 HE2 TYR 8 HE2 TYR 8 -18.976 -9.206 3.553 77 HH TYR 8 HH TYR 8 -16.082 -10.935 4.022 78 H TRP 9 HN TRP 9 -16.912 -2.425 1.862 79 HA TRP 9 HA TRP 9 -14.686 -2.109 0.145 80 1HB TRP 9 HB2 TRP 9 -17.196 -0.737 0.778 81 2HB TRP 9 HB1 TRP 9 -15.892 0.380 0.370 82 HD1 TRP 9 HD1 TRP 9 -18.377 -1.789 -1.148 83 HE1 TRP 9 HE1 TRP 9 -17.923 -1.891 -3.714 84 HE3 TRP 9 HE3 TRP 9 -13.874 0.250 -1.173 85 HZ2 TRP 9 HZ2 TRP 9 -15.883 -1.179 -5.483 86 HZ3 TRP 9 HZ3 TRP 9 -12.659 0.550 -3.312 87 HH2 TRP 9 HH2 TRP 9 -13.680 -0.173 -5.423 88 H LYS 10 HN LYS 10 -15.971 -0.154 2.651 89 HA LYS 10 HA LYS 10 -13.945 1.645 3.093 90 1HB LYS 10 HB2 LYS 10 -16.035 1.953 4.179 91 2HB LYS 10 HB1 LYS 10 -15.932 0.391 4.971 92 1HG LYS 10 HG2 LYS 10 -13.700 1.716 5.865 93 2HG LYS 10 HG1 LYS 10 -14.939 2.968 5.809 94 1HD LYS 10 HD2 LYS 10 -15.795 0.395 6.949 95 2HD LYS 10 HD1 LYS 10 -14.576 1.261 7.886 96 1HE LYS 10 HE2 LYS 10 -16.272 3.280 7.311 97 2HE LYS 10 HE1 LYS 10 -17.400 1.927 7.366 98 1HZ LYS 10 HZ1 LYS 10 -16.648 3.296 9.512 99 2HZ LYS 10 HZ2 LYS 10 -15.482 2.071 9.542 100 3HZ LYS 10 HZ3 LYS 10 -17.126 1.674 9.572 101 H GLN 11 HN GLN 11 -14.334 -1.530 4.661 102 HA GLN 11 HA GLN 11 -11.873 -1.223 6.103 103 1HB GLN 11 HB2 GLN 11 -12.304 -3.363 7.005 104 2HB GLN 11 HB1 GLN 11 -13.880 -2.617 6.832 105 1HG GLN 11 HG2 GLN 11 -14.296 -3.880 4.816 106 2HG GLN 11 HG1 GLN 11 -12.676 -4.546 4.869 107 1HE2 GLN 11 HE21 GLN 11 -13.438 -4.527 8.041 108 2HE2 GLN 11 HE22 GLN 11 -14.196 -6.070 8.172 109 H TRP 12 HN TRP 12 -12.336 -1.582 2.992 110 HA TRP 12 HA TRP 12 -10.004 -3.341 2.549 111 1HB TRP 12 HB2 TRP 12 -12.246 -3.895 1.487 112 2HB TRP 12 HB1 TRP 12 -12.055 -2.498 0.503 113 HD1 TRP 12 HD1 TRP 12 -11.125 -6.012 0.705 114 HE1 TRP 12 HE1 TRP 12 -9.470 -6.573 -1.163 115 HE3 TRP 12 HE3 TRP 12 -10.198 -1.378 -0.733 116 HZ2 TRP 12 HZ2 TRP 12 -7.958 -5.153 -3.084 117 HZ3 TRP 12 HZ3 TRP 12 -8.634 -0.934 -2.628 118 HH2 TRP 12 HH2 TRP 12 -7.523 -2.837 -3.787 119 H LEU 13 HN LEU 13 -11.406 -0.170 1.764 120 HA LEU 13 HA LEU 13 -8.865 0.493 0.465 121 1HB LEU 13 HB2 LEU 13 -10.847 1.042 -0.827 122 2HB LEU 13 HB1 LEU 13 -11.521 1.945 0.515 123 HG LEU 13 HG LEU 13 -8.896 2.933 -0.289 124 1HD1 LEU 13 HD11 LEU 13 -10.237 2.057 -2.437 125 2HD1 LEU 13 HD12 LEU 13 -9.215 3.494 -2.452 126 3HD1 LEU 13 HD13 LEU 13 -10.962 3.656 -2.269 127 1HD2 LEU 13 HD21 LEU 13 -10.771 4.934 -0.587 128 2HD2 LEU 13 HD22 LEU 13 -9.846 4.582 0.872 129 3HD2 LEU 13 HD23 LEU 13 -11.463 3.907 0.668 130 H SER 14 HN SER 14 -10.322 0.689 3.474 131 HA SER 14 HA SER 14 -9.096 3.220 4.167 132 1HB SER 14 HB2 SER 14 -11.278 1.881 5.206 133 2HB SER 14 HB1 SER 14 -10.028 1.548 6.392 134 HG SER 14 HG SER 14 -10.541 4.159 5.439 135 H LEU 15 HN LEU 15 -8.721 -0.201 4.867 136 HA LEU 15 HA LEU 15 -6.313 0.229 6.349 137 1HB LEU 15 HB2 LEU 15 -7.575 -2.338 5.399 138 2HB LEU 15 HB1 LEU 15 -6.334 -2.163 6.625 139 HG LEU 15 HG LEU 15 -8.217 -2.441 7.922 140 1HD1 LEU 15 HD11 LEU 15 -8.827 -0.295 8.873 141 2HD1 LEU 15 HD12 LEU 15 -8.206 0.534 7.443 142 3HD1 LEU 15 HD13 LEU 15 -7.097 -0.317 8.522 143 1HD2 LEU 15 HD21 LEU 15 -10.164 -0.705 6.874 144 2HD2 LEU 15 HD22 LEU 15 -10.167 -2.471 6.885 145 3HD2 LEU 15 HD23 LEU 15 -9.463 -1.595 5.514 146 H ARG 16 HN ARG 16 -7.121 -1.646 3.460 147 HA ARG 16 HA ARG 16 -4.562 -2.234 2.675 148 1HB ARG 16 HB2 ARG 16 -7.105 -1.859 1.225 149 2HB ARG 16 HB1 ARG 16 -5.642 -2.030 0.277 150 1HG ARG 16 HG2 ARG 16 -5.489 -4.214 0.716 151 2HG ARG 16 HG1 ARG 16 -5.852 -3.965 2.427 152 1HD ARG 16 HD2 ARG 16 -8.066 -4.324 2.154 153 2HD ARG 16 HD1 ARG 16 -8.087 -3.613 0.548 154 HE ARG 16 HE ARG 16 -7.473 -5.680 -0.365 155 1HH1 ARG 16 1HH1 ARG 16 -7.709 -5.840 3.119 156 2HH1 ARG 16 2HH1 ARG 16 -7.768 -7.569 3.156 157 1HH2 ARG 16 1HH2 ARG 16 -7.548 -7.953 -0.308 158 2HH2 ARG 16 2HH2 ARG 16 -7.674 -8.767 1.215 159 H ASN 17 HN ASN 17 -6.148 0.769 2.507 160 HA ASN 17 HA ASN 17 -4.620 2.051 0.561 161 1HB ASN 17 HB2 ASN 17 -6.574 2.717 2.552 162 2HB ASN 17 HB1 ASN 17 -5.379 3.950 2.450 163 1HD2 ASN 17 HD21 ASN 17 -7.478 5.011 1.789 164 2HD2 ASN 17 HD22 ASN 17 -7.783 5.063 0.097 165 HA PRO 18 HA PRO 18 -1.854 4.081 3.898 166 1HB PRO 18 HB2 PRO 18 -2.115 2.997 6.436 167 2HB PRO 18 HB1 PRO 18 -2.733 4.566 5.913 168 1HG PRO 18 HG2 PRO 18 -4.121 1.940 6.046 169 2HG PRO 18 HG1 PRO 18 -4.723 3.551 6.476 170 1HD PRO 18 HD2 PRO 18 -5.432 2.449 4.183 171 2HD PRO 18 HD1 PRO 18 -5.003 4.166 4.244 172 H ILE 19 HN ILE 19 -2.812 0.809 3.945 173 HA ILE 19 HA ILE 19 -0.323 -0.240 4.918 174 HB ILE 19 HB ILE 19 -2.558 -1.618 3.444 175 1HG1 ILE 19 HG12 ILE 19 -1.822 -1.350 6.351 176 2HG1 ILE 19 HG11 ILE 19 -3.297 -0.821 5.575 177 1HG2 ILE 19 HG21 ILE 19 -0.972 -3.405 5.012 178 2HG2 ILE 19 HG22 ILE 19 0.068 -2.549 3.878 179 3HG2 ILE 19 HG23 ILE 19 -1.321 -3.457 3.285 180 1HD1 ILE 19 HD11 ILE 19 -2.650 -3.371 6.744 181 2HD1 ILE 19 HD12 ILE 19 -3.214 -3.545 5.081 182 3HD1 ILE 19 HD13 ILE 19 -4.215 -2.710 6.270 183 H LEU 20 HN LEU 20 -1.581 0.536 1.801 184 HA LEU 20 HA LEU 20 0.433 -0.793 0.272 185 1HB LEU 20 HB2 LEU 20 -1.276 1.578 -0.506 186 2HB LEU 20 HB1 LEU 20 -0.304 0.621 -1.604 187 HG LEU 20 HG LEU 20 -2.971 0.116 -0.524 188 1HD1 LEU 20 HD11 LEU 20 -3.149 -1.191 -2.609 189 2HD1 LEU 20 HD12 LEU 20 -1.443 -0.872 -2.923 190 3HD1 LEU 20 HD13 LEU 20 -2.595 0.462 -2.878 191 1HD2 LEU 20 HD21 LEU 20 -0.993 -2.152 -0.696 192 2HD2 LEU 20 HD22 LEU 20 -2.738 -2.326 -0.506 193 3HD2 LEU 20 HD23 LEU 20 -1.784 -1.561 0.767 194 H VAL 21 HN VAL 21 -0.150 2.413 1.485 195 HA VAL 21 HA VAL 21 2.057 3.796 0.577 196 HB VAL 21 HB VAL 21 0.286 3.838 2.947 197 1HG1 VAL 21 HG11 VAL 21 1.438 5.683 3.921 198 2HG1 VAL 21 HG12 VAL 21 2.599 5.708 2.590 199 3HG1 VAL 21 HG13 VAL 21 2.560 4.336 3.701 200 1HG2 VAL 21 HG21 VAL 21 0.850 5.847 0.774 201 2HG2 VAL 21 HG22 VAL 21 -0.368 6.011 2.044 202 3HG2 VAL 21 HG23 VAL 21 -0.511 4.723 0.841 203 H PHE 22 HN PHE 22 1.423 2.093 3.568 204 HA PHE 22 HA PHE 22 3.868 2.320 4.858 205 1HB PHE 22 HB2 PHE 22 2.333 1.461 6.273 206 2HB PHE 22 HB1 PHE 22 1.423 0.744 4.971 207 HD1 PHE 22 HD1 PHE 22 4.641 0.329 6.660 208 HD2 PHE 22 HD2 PHE 22 1.251 -1.382 4.875 209 HE1 PHE 22 HE1 PHE 22 5.502 -1.892 7.238 210 HE2 PHE 22 HE2 PHE 22 2.053 -3.643 5.449 211 HZ PHE 22 HZ PHE 22 4.202 -3.897 6.614 212 H LEU 23 HN LEU 23 2.752 0.308 2.307 213 HA LEU 23 HA LEU 23 5.041 -1.527 2.315 214 1HB LEU 23 HB2 LEU 23 2.698 -1.084 0.488 215 2HB LEU 23 HB1 LEU 23 4.068 -2.017 -0.074 216 HG LEU 23 HG LEU 23 1.945 -3.121 1.063 217 1HD1 LEU 23 HD11 LEU 23 3.837 -4.809 2.002 218 2HD1 LEU 23 HD12 LEU 23 4.790 -3.840 0.877 219 3HD1 LEU 23 HD13 LEU 23 3.362 -4.704 0.306 220 1HD2 LEU 23 HD21 LEU 23 3.642 -3.233 3.436 221 2HD2 LEU 23 HD22 LEU 23 1.886 -3.114 3.292 222 3HD2 LEU 23 HD23 LEU 23 2.889 -1.665 3.131 223 H LYS 24 HN LYS 24 3.958 1.280 0.768 224 HA LYS 24 HA LYS 24 5.811 1.434 -1.332 225 1HB LYS 24 HB2 LYS 24 3.599 2.868 -0.277 226 2HB LYS 24 HB1 LYS 24 4.863 4.007 -0.609 227 1HG LYS 24 HG2 LYS 24 4.169 3.962 -2.718 228 2HG LYS 24 HG1 LYS 24 4.811 2.319 -2.789 229 1HD LYS 24 HD2 LYS 24 2.500 1.768 -1.633 230 2HD LYS 24 HD1 LYS 24 2.013 3.238 -2.486 231 1HE LYS 24 HE2 LYS 24 2.858 2.266 -4.589 232 2HE LYS 24 HE1 LYS 24 3.266 0.787 -3.720 233 1HZ LYS 24 HZ1 LYS 24 0.541 1.920 -4.050 234 2HZ LYS 24 HZ2 LYS 24 0.915 0.524 -3.171 235 3HZ LYS 24 HZ3 LYS 24 1.157 0.560 -4.845 236 H THR 25 HN THR 25 5.637 2.837 1.845 237 HA THR 25 HA THR 25 8.019 4.325 1.699 238 HB THR 25 HB THR 25 6.444 4.980 3.347 239 HG1 THR 25 HG1 THR 25 8.737 4.832 4.030 240 1HG2 THR 25 HG21 THR 25 5.494 2.553 3.490 241 2HG2 THR 25 HG22 THR 25 5.340 3.667 4.851 242 3HG2 THR 25 HG23 THR 25 6.598 2.431 4.864 243 H ARG 26 HN ARG 26 7.183 1.122 2.997 244 HA ARG 26 HA ARG 26 9.721 0.480 4.032 245 1HB ARG 26 HB2 ARG 26 7.479 -1.162 2.886 246 2HB ARG 26 HB1 ARG 26 8.924 -1.910 3.556 247 1HG ARG 26 HG2 ARG 26 6.784 -0.363 4.961 248 2HG ARG 26 HG1 ARG 26 7.386 -1.978 5.300 249 1HD ARG 26 HD2 ARG 26 8.829 0.624 5.750 250 2HD ARG 26 HD1 ARG 26 8.154 -0.432 6.991 251 HE ARG 26 HE ARG 26 10.130 -1.670 5.285 252 1HH1 ARG 26 1HH1 ARG 26 9.560 0.100 8.241 253 2HH1 ARG 26 2HH1 ARG 26 11.021 -0.444 8.993 254 1HH2 ARG 26 1HH2 ARG 26 12.050 -2.385 6.275 255 2HH2 ARG 26 2HH2 ARG 26 12.434 -1.853 7.879 256 H VAL 27 HN VAL 27 8.297 0.196 0.874 257 HA VAL 27 HA VAL 27 10.516 -1.115 -0.360 258 HB VAL 27 HB VAL 27 7.876 -0.014 -1.120 259 1HG1 VAL 27 HG11 VAL 27 9.074 1.059 -2.796 260 2HG1 VAL 27 HG12 VAL 27 8.415 -0.396 -3.544 261 3HG1 VAL 27 HG13 VAL 27 10.114 -0.335 -3.073 262 1HG2 VAL 27 HG21 VAL 27 7.654 -2.207 -2.214 263 2HG2 VAL 27 HG22 VAL 27 8.097 -2.343 -0.511 264 3HG2 VAL 27 HG23 VAL 27 9.318 -2.581 -1.763 265 H LEU 28 HN LEU 28 9.627 2.095 0.398 266 HA LEU 28 HA LEU 28 11.125 3.452 -1.588 267 1HB LEU 28 HB2 LEU 28 9.952 5.225 -0.851 268 2HB LEU 28 HB1 LEU 28 9.030 4.079 0.051 269 HG LEU 28 HG LEU 28 10.387 4.488 2.019 270 1HD1 LEU 28 HD11 LEU 28 12.085 5.869 0.121 271 2HD1 LEU 28 HD12 LEU 28 12.445 5.287 1.747 272 3HD1 LEU 28 HD13 LEU 28 11.702 6.872 1.521 273 1HD2 LEU 28 HD21 LEU 28 8.445 6.112 0.964 274 2HD2 LEU 28 HD22 LEU 28 9.723 7.253 1.381 275 3HD2 LEU 28 HD23 LEU 28 9.059 6.183 2.615 276 H LYS 29 HN LYS 29 11.294 2.837 1.819 277 HA LYS 29 HA LYS 29 13.896 3.877 2.173 278 1HB LYS 29 HB2 LYS 29 13.771 3.178 4.414 279 2HB LYS 29 HB1 LYS 29 12.117 3.583 3.990 280 1HG LYS 29 HG2 LYS 29 11.787 1.616 5.083 281 2HG LYS 29 HG1 LYS 29 11.975 1.020 3.436 282 1HD LYS 29 HD2 LYS 29 13.473 -0.367 4.407 283 2HD LYS 29 HD1 LYS 29 14.548 1.020 4.227 284 1HE LYS 29 HE2 LYS 29 12.929 0.353 6.683 285 2HE LYS 29 HE1 LYS 29 14.657 0.065 6.483 286 1HZ LYS 29 HZ1 LYS 29 14.893 2.506 6.133 287 2HZ LYS 29 HZ2 LYS 29 14.394 2.072 7.689 288 3HZ LYS 29 HZ3 LYS 29 13.272 2.685 6.583 289 H ARG 30 HN ARG 30 12.610 1.027 0.934 290 HA ARG 30 HA ARG 30 14.946 -0.592 1.355 291 1HB ARG 30 HB2 ARG 30 13.661 -2.296 0.545 292 2HB ARG 30 HB1 ARG 30 12.353 -1.217 0.890 293 1HG ARG 30 HG2 ARG 30 11.771 -1.168 -1.235 294 2HG ARG 30 HG1 ARG 30 13.383 -0.720 -1.738 295 1HD ARG 30 HD2 ARG 30 13.846 -3.281 -1.257 296 2HD ARG 30 HD1 ARG 30 12.115 -3.398 -1.569 297 HE ARG 30 HE ARG 30 13.584 -1.932 -3.568 298 1HH1 ARG 30 1HH1 ARG 30 12.464 -5.078 -2.547 299 2HH1 ARG 30 2HH1 ARG 30 12.528 -5.755 -4.140 300 1HH2 ARG 30 1HH2 ARG 30 13.670 -2.824 -5.662 301 2HH2 ARG 30 2HH2 ARG 30 13.214 -4.477 -5.907 302 H TRP 31 HN TRP 31 13.414 1.456 -0.918 303 HA TRP 31 HA TRP 31 15.012 1.092 -3.172 304 1HB TRP 31 HB2 TRP 31 12.723 2.474 -2.366 305 2HB TRP 31 HB1 TRP 31 13.820 3.668 -2.935 306 HD1 TRP 31 HD1 TRP 31 11.731 0.916 -4.053 307 HE1 TRP 31 HE1 TRP 31 11.819 0.757 -6.615 308 HE3 TRP 31 HE3 TRP 31 15.390 4.044 -4.648 309 HZ2 TRP 31 HZ2 TRP 31 13.380 1.933 -8.670 310 HZ3 TRP 31 HZ3 TRP 31 16.266 4.594 -6.942 311 HH2 TRP 31 HH2 TRP 31 15.260 3.533 -8.923 312 H ARG 32 HN ARG 32 14.906 3.300 -0.393 313 HA ARG 32 HA ARG 32 17.031 5.006 -1.024 314 1HB ARG 32 HB2 ARG 32 15.971 3.872 1.533 315 2HB ARG 32 HB1 ARG 32 17.043 5.276 1.457 316 1HG ARG 32 HG2 ARG 32 14.389 5.203 0.049 317 2HG ARG 32 HG1 ARG 32 14.555 5.716 1.708 318 1HD ARG 32 HD2 ARG 32 16.172 6.855 -0.522 319 2HD ARG 32 HD1 ARG 32 14.586 7.492 -0.102 320 HE ARG 32 HE ARG 32 16.257 7.376 2.185 321 1HH1 ARG 32 1HH1 ARG 32 15.721 9.216 -0.730 322 2HH1 ARG 32 2HH1 ARG 32 16.365 10.682 -0.072 323 1HH2 ARG 32 1HH2 ARG 32 17.104 9.304 3.053 324 2HH2 ARG 32 2HH2 ARG 32 17.150 10.733 2.075 325 H LEU 33 HN LEU 33 16.745 2.069 0.781 326 HA LEU 33 HA LEU 33 19.351 1.572 1.569 327 1HB LEU 33 HB2 LEU 33 16.768 0.168 1.195 328 2HB LEU 33 HB1 LEU 33 18.152 -0.778 1.561 329 HG LEU 33 HG LEU 33 16.456 0.426 3.311 330 1HD1 LEU 33 HD11 LEU 33 18.384 -1.442 3.470 331 2HD1 LEU 33 HD12 LEU 33 17.585 -0.750 4.882 332 3HD1 LEU 33 HD13 LEU 33 19.152 -0.128 4.362 333 1HD2 LEU 33 HD21 LEU 33 17.507 2.216 4.380 334 2HD2 LEU 33 HD22 LEU 33 17.636 2.548 2.649 335 3HD2 LEU 33 HD23 LEU 33 19.028 1.924 3.534 336 H PHE 34 HN PHE 34 17.412 0.653 -1.091 337 HA PHE 34 HA PHE 34 19.301 -1.115 -2.301 338 1HB PHE 34 HB2 PHE 34 16.615 -0.200 -2.795 339 2HB PHE 34 HB1 PHE 34 17.516 -0.489 -4.256 340 HD1 PHE 34 HD1 PHE 34 16.511 -2.460 -5.020 341 HD2 PHE 34 HD2 PHE 34 17.922 -2.079 -1.052 342 HE1 PHE 34 HE1 PHE 34 16.218 -4.866 -4.705 343 HE2 PHE 34 HE2 PHE 34 17.642 -4.486 -0.706 344 HZ PHE 34 HZ PHE 34 16.777 -5.912 -2.535 345 H SER 35 HN SER 35 18.651 2.133 -2.173 346 HA SER 35 HA SER 35 20.216 2.738 -4.616 347 1HB SER 35 HB2 SER 35 18.094 4.127 -3.437 348 2HB SER 35 HB1 SER 35 19.517 5.102 -3.084 349 HG SER 35 HG SER 35 18.198 5.030 -5.319 350 H LYS 36 HN LYS 36 20.460 2.829 -1.137 351 HA LYS 36 HA LYS 36 22.933 4.317 -1.184 352 1HB LYS 36 HB2 LYS 36 22.732 4.483 1.077 353 2HB LYS 36 HB1 LYS 36 21.060 4.129 0.685 354 1HG LYS 36 HG2 LYS 36 21.305 1.853 1.343 355 2HG LYS 36 HG1 LYS 36 23.053 2.030 1.507 356 1HD LYS 36 HD2 LYS 36 21.864 2.057 3.679 357 2HD LYS 36 HD1 LYS 36 22.777 3.535 3.367 358 1HE LYS 36 HE2 LYS 36 19.911 3.426 2.565 359 2HE LYS 36 HE1 LYS 36 20.303 3.615 4.273 360 1HZ LYS 36 HZ1 LYS 36 21.910 5.437 3.175 361 2HZ LYS 36 HZ2 LYS 36 20.349 5.780 3.728 362 3HZ LYS 36 HZ3 LYS 36 20.618 5.488 2.084 363 H HIS 37 HN HIS 37 21.965 1.054 -1.315 364 HA HIS 37 HA HIS 37 24.393 -0.134 -0.426 365 1HB HIS 37 HB2 HIS 37 21.814 -1.023 -1.362 366 2HB HIS 37 HB1 HIS 37 23.087 -1.922 -2.162 367 HD1 HIS 37 HD1 HIS 37 23.570 -4.019 -0.956 368 HD2 HIS 37 HD2 HIS 37 22.522 -0.949 1.640 369 HE1 HIS 37 HE1 HIS 37 23.673 -5.024 1.347 370 HE2 HIS 37 HE2 HIS 37 23.126 -3.123 2.909 371 H GLU 38 HN GLU 38 22.987 0.460 -3.624 372 HA GLU 38 HA GLU 38 25.507 -0.278 -4.890 373 1HB GLU 38 HB2 GLU 38 24.307 -0.183 -6.987 374 2HB GLU 38 HB1 GLU 38 23.368 -1.115 -5.828 375 1HG GLU 38 HG2 GLU 38 21.643 0.282 -5.948 376 2HG GLU 38 HG1 GLU 38 22.676 1.703 -5.797 Start of MODEL 12 1 1H VAL 1 HT1 VAL 1 -26.184 -7.185 4.055 2 2H VAL 1 HT2 VAL 1 -24.963 -6.732 5.173 3 3H VAL 1 HT3 VAL 1 -24.831 -6.277 3.524 4 HA VAL 1 HA VAL 1 -27.048 -5.128 3.917 5 HB VAL 1 HB VAL 1 -26.008 -4.777 6.694 6 1HG1 VAL 1 HG11 VAL 1 -28.806 -4.827 6.601 7 2HG1 VAL 1 HG12 VAL 1 -28.294 -3.979 5.142 8 3HG1 VAL 1 HG13 VAL 1 -27.761 -3.413 6.725 9 1HG2 VAL 1 HG21 VAL 1 -27.485 -7.169 5.688 10 2HG2 VAL 1 HG22 VAL 1 -27.839 -6.547 7.300 11 3HG2 VAL 1 HG23 VAL 1 -26.202 -7.063 6.894 12 H MET 2 HN MET 2 -26.873 -2.750 4.531 13 HA MET 2 HA MET 2 -24.752 -1.571 3.238 14 1HB MET 2 HB2 MET 2 -27.029 -0.721 4.855 15 2HB MET 2 HB1 MET 2 -25.667 0.366 4.959 16 1HG MET 2 HG2 MET 2 -26.741 -0.576 2.336 17 2HG MET 2 HG1 MET 2 -27.407 0.825 3.171 18 1HE MET 2 HE1 MET 2 -25.588 2.846 4.061 19 2HE MET 2 HE2 MET 2 -26.696 3.088 2.711 20 3HE MET 2 HE3 MET 2 -25.019 3.615 2.581 21 HA PRO 3 HA PRO 3 -23.008 -0.275 7.724 22 1HB PRO 3 HB2 PRO 3 -23.589 -2.552 9.332 23 2HB PRO 3 HB1 PRO 3 -24.154 -0.904 9.559 24 1HG PRO 3 HG2 PRO 3 -25.516 -3.206 8.304 25 2HG PRO 3 HG1 PRO 3 -26.213 -1.806 9.139 26 1HD PRO 3 HD2 PRO 3 -26.355 -2.058 6.479 27 2HD PRO 3 HD1 PRO 3 -26.110 -0.471 7.240 28 H LYS 4 HN LYS 4 -23.300 -3.456 6.431 29 HA LYS 4 HA LYS 4 -20.563 -4.153 7.182 30 1HB LYS 4 HB2 LYS 4 -22.536 -5.753 7.427 31 2HB LYS 4 HB1 LYS 4 -22.522 -5.873 5.673 32 1HG LYS 4 HG2 LYS 4 -21.197 -7.641 6.101 33 2HG LYS 4 HG1 LYS 4 -19.943 -6.400 6.170 34 1HD LYS 4 HD2 LYS 4 -20.627 -6.263 8.688 35 2HD LYS 4 HD1 LYS 4 -21.281 -7.876 8.396 36 1HE LYS 4 HE2 LYS 4 -19.236 -8.813 8.208 37 2HE LYS 4 HE1 LYS 4 -18.557 -7.410 7.382 38 1HZ LYS 4 HZ1 LYS 4 -18.898 -6.396 9.799 39 2HZ LYS 4 HZ2 LYS 4 -17.482 -7.199 9.340 40 3HZ LYS 4 HZ3 LYS 4 -18.667 -8.016 10.227 41 H GLN 5 HN GLN 5 -22.387 -3.049 4.492 42 HA GLN 5 HA GLN 5 -20.481 -3.937 2.533 43 1HB GLN 5 HB2 GLN 5 -22.255 -3.746 1.185 44 2HB GLN 5 HB1 GLN 5 -23.171 -3.153 2.548 45 1HG GLN 5 HG2 GLN 5 -23.413 -1.667 0.649 46 2HG GLN 5 HG1 GLN 5 -22.620 -0.886 1.966 47 1HE2 GLN 5 HE21 GLN 5 -21.750 -2.660 -0.907 48 2HE2 GLN 5 HE22 GLN 5 -20.454 -1.623 -1.296 49 H ILE 6 HN ILE 6 -21.143 -1.047 4.308 50 HA ILE 6 HA ILE 6 -19.308 0.474 2.698 51 HB ILE 6 HB ILE 6 -19.676 2.191 4.575 52 1HG1 ILE 6 HG12 ILE 6 -21.818 2.073 5.686 53 2HG1 ILE 6 HG11 ILE 6 -22.146 0.515 4.982 54 1HG2 ILE 6 HG21 ILE 6 -20.407 2.327 2.255 55 2HG2 ILE 6 HG22 ILE 6 -21.560 3.072 3.369 56 3HG2 ILE 6 HG23 ILE 6 -21.888 1.474 2.693 57 1HD1 ILE 6 HD11 ILE 6 -21.225 0.779 7.430 58 2HD1 ILE 6 HD12 ILE 6 -19.675 0.844 6.585 59 3HD1 ILE 6 HD13 ILE 6 -20.723 -0.556 6.399 60 H VAL 7 HN VAL 7 -19.398 -1.368 5.612 61 HA VAL 7 HA VAL 7 -16.969 -0.377 6.752 62 HB VAL 7 HB VAL 7 -19.031 -1.592 7.878 63 1HG1 VAL 7 HG11 VAL 7 -18.759 -3.674 6.570 64 2HG1 VAL 7 HG12 VAL 7 -18.676 -3.936 8.310 65 3HG1 VAL 7 HG13 VAL 7 -17.198 -3.925 7.348 66 1HG2 VAL 7 HG21 VAL 7 -17.739 -1.877 9.772 67 2HG2 VAL 7 HG22 VAL 7 -16.880 -0.660 8.832 68 3HG2 VAL 7 HG23 VAL 7 -16.312 -2.328 8.840 69 H TYR 8 HN TYR 8 -18.103 -3.025 4.817 70 HA TYR 8 HA TYR 8 -15.775 -4.609 4.632 71 1HB TYR 8 HB2 TYR 8 -18.348 -4.382 3.273 72 2HB TYR 8 HB1 TYR 8 -17.041 -4.773 2.162 73 HD1 TYR 8 HD1 TYR 8 -15.271 -6.361 3.760 74 HD2 TYR 8 HD2 TYR 8 -19.502 -6.376 3.653 75 HE1 TYR 8 HE1 TYR 8 -15.258 -8.570 4.577 76 HE2 TYR 8 HE2 TYR 8 -19.517 -8.644 4.464 77 HH TYR 8 HH TYR 8 -16.834 -10.629 4.480 78 H TRP 9 HN TRP 9 -17.159 -1.961 2.771 79 HA TRP 9 HA TRP 9 -15.129 -1.714 0.807 80 1HB TRP 9 HB2 TRP 9 -17.458 -0.220 1.780 81 2HB TRP 9 HB1 TRP 9 -16.140 0.831 1.257 82 HD1 TRP 9 HD1 TRP 9 -18.928 -1.109 -0.027 83 HE1 TRP 9 HE1 TRP 9 -18.781 -1.132 -2.631 84 HE3 TRP 9 HE3 TRP 9 -14.328 0.632 -0.514 85 HZ2 TRP 9 HZ2 TRP 9 -16.915 -0.480 -4.604 86 HZ3 TRP 9 HZ3 TRP 9 -13.350 0.944 -2.770 87 HH2 TRP 9 HH2 TRP 9 -14.657 0.378 -4.770 88 H LYS 10 HN LYS 10 -15.996 0.196 3.519 89 HA LYS 10 HA LYS 10 -13.828 1.857 3.790 90 1HB LYS 10 HB2 LYS 10 -15.757 2.237 5.119 91 2HB LYS 10 HB1 LYS 10 -15.666 0.635 5.833 92 1HG LYS 10 HG2 LYS 10 -13.274 1.765 6.534 93 2HG LYS 10 HG1 LYS 10 -14.406 3.110 6.640 94 1HD LYS 10 HD2 LYS 10 -15.881 1.690 8.040 95 2HD LYS 10 HD1 LYS 10 -14.647 0.430 8.002 96 1HE LYS 10 HE2 LYS 10 -13.166 2.530 8.820 97 2HE LYS 10 HE1 LYS 10 -14.731 2.966 9.507 98 1HZ LYS 10 HZ1 LYS 10 -14.050 1.659 11.181 99 2HZ LYS 10 HZ2 LYS 10 -12.924 0.823 10.235 100 3HZ LYS 10 HZ3 LYS 10 -14.557 0.388 10.187 101 H GLN 11 HN GLN 11 -14.233 -1.363 5.267 102 HA GLN 11 HA GLN 11 -11.616 -1.275 6.434 103 1HB GLN 11 HB2 GLN 11 -12.069 -3.458 7.237 104 2HB GLN 11 HB1 GLN 11 -13.603 -2.611 7.303 105 1HG GLN 11 HG2 GLN 11 -14.307 -3.683 5.244 106 2HG GLN 11 HG1 GLN 11 -12.751 -4.476 5.109 107 1HE2 GLN 11 HE21 GLN 11 -13.231 -4.593 8.335 108 2HE2 GLN 11 HE22 GLN 11 -14.099 -6.079 8.451 109 H TRP 12 HN TRP 12 -12.440 -1.442 3.365 110 HA TRP 12 HA TRP 12 -10.238 -3.254 2.611 111 1HB TRP 12 HB2 TRP 12 -12.607 -3.661 1.743 112 2HB TRP 12 HB1 TRP 12 -12.410 -2.248 0.779 113 HD1 TRP 12 HD1 TRP 12 -11.652 -5.812 0.818 114 HE1 TRP 12 HE1 TRP 12 -10.148 -6.394 -1.171 115 HE3 TRP 12 HE3 TRP 12 -10.586 -1.183 -0.539 116 HZ2 TRP 12 HZ2 TRP 12 -8.686 -4.986 -3.137 117 HZ3 TRP 12 HZ3 TRP 12 -9.118 -0.755 -2.514 118 HH2 TRP 12 HH2 TRP 12 -8.178 -2.672 -3.796 119 H LEU 13 HN LEU 13 -11.585 0.005 2.132 120 HA LEU 13 HA LEU 13 -9.203 0.682 0.577 121 1HB LEU 13 HB2 LEU 13 -11.306 1.382 -0.404 122 2HB LEU 13 HB1 LEU 13 -11.775 2.192 1.079 123 HG LEU 13 HG LEU 13 -9.242 3.171 -0.005 124 1HD1 LEU 13 HD11 LEU 13 -9.919 3.069 -2.162 125 2HD1 LEU 13 HD12 LEU 13 -10.779 4.540 -1.707 126 3HD1 LEU 13 HD13 LEU 13 -11.629 2.994 -1.740 127 1HD2 LEU 13 HD21 LEU 13 -10.374 4.299 1.793 128 2HD2 LEU 13 HD22 LEU 13 -11.839 4.458 0.822 129 3HD2 LEU 13 HD23 LEU 13 -10.380 5.339 0.368 130 H SER 14 HN SER 14 -10.266 0.715 3.755 131 HA SER 14 HA SER 14 -8.860 3.147 4.449 132 1HB SER 14 HB2 SER 14 -10.953 1.839 5.668 133 2HB SER 14 HB1 SER 14 -9.588 1.342 6.655 134 HG SER 14 HG SER 14 -9.084 3.576 6.905 135 H LEU 15 HN LEU 15 -8.558 -0.320 4.897 136 HA LEU 15 HA LEU 15 -5.964 -0.079 6.073 137 1HB LEU 15 HB2 LEU 15 -7.438 -2.531 5.135 138 2HB LEU 15 HB1 LEU 15 -6.051 -2.479 6.202 139 HG LEU 15 HG LEU 15 -7.772 -2.781 7.707 140 1HD1 LEU 15 HD11 LEU 15 -6.491 -0.747 8.294 141 2HD1 LEU 15 HD12 LEU 15 -8.162 -0.686 8.862 142 3HD1 LEU 15 HD13 LEU 15 -7.684 0.217 7.421 143 1HD2 LEU 15 HD21 LEU 15 -9.755 -0.905 7.024 144 2HD2 LEU 15 HD22 LEU 15 -9.838 -2.666 6.931 145 3HD2 LEU 15 HD23 LEU 15 -9.272 -1.730 5.536 146 H ARG 16 HN ARG 16 -7.218 -1.697 3.194 147 HA ARG 16 HA ARG 16 -4.836 -2.362 2.001 148 1HB ARG 16 HB2 ARG 16 -7.459 -1.562 0.850 149 2HB ARG 16 HB1 ARG 16 -6.119 -1.885 -0.217 150 1HG ARG 16 HG2 ARG 16 -7.428 -3.776 1.713 151 2HG ARG 16 HG1 ARG 16 -7.428 -3.864 -0.048 152 1HD ARG 16 HD2 ARG 16 -4.930 -4.115 0.070 153 2HD ARG 16 HD1 ARG 16 -5.102 -4.272 1.816 154 HE ARG 16 HE ARG 16 -6.424 -6.119 -0.061 155 1HH1 ARG 16 1HH1 ARG 16 -4.445 -5.549 2.770 156 2HH1 ARG 16 2HH1 ARG 16 -4.384 -7.220 3.208 157 1HH2 ARG 16 1HH2 ARG 16 -6.335 -8.312 0.526 158 2HH2 ARG 16 2HH2 ARG 16 -5.452 -8.786 1.939 159 H ASN 17 HN ASN 17 -6.235 0.735 2.292 160 HA ASN 17 HA ASN 17 -4.872 2.116 0.304 161 1HB ASN 17 HB2 ASN 17 -6.552 2.687 2.559 162 2HB ASN 17 HB1 ASN 17 -5.322 3.880 2.402 163 1HD2 ASN 17 HD21 ASN 17 -7.446 5.052 2.083 164 2HD2 ASN 17 HD22 ASN 17 -7.940 5.251 0.449 165 HA PRO 18 HA PRO 18 -1.601 3.734 3.350 166 1HB PRO 18 HB2 PRO 18 -1.623 2.634 5.880 167 2HB PRO 18 HB1 PRO 18 -2.242 4.232 5.453 168 1HG PRO 18 HG2 PRO 18 -3.701 1.646 5.680 169 2HG PRO 18 HG1 PRO 18 -4.176 3.254 6.260 170 1HD PRO 18 HD2 PRO 18 -5.221 2.317 4.031 171 2HD PRO 18 HD1 PRO 18 -4.683 4.001 4.106 172 H ILE 19 HN ILE 19 -2.768 0.544 3.363 173 HA ILE 19 HA ILE 19 -0.293 -0.709 4.085 174 HB ILE 19 HB ILE 19 -2.779 -1.858 2.838 175 1HG1 ILE 19 HG12 ILE 19 -1.694 -1.739 5.646 176 2HG1 ILE 19 HG11 ILE 19 -3.192 -1.057 5.058 177 1HG2 ILE 19 HG21 ILE 19 -0.160 -3.018 3.136 178 2HG2 ILE 19 HG22 ILE 19 -1.602 -3.696 2.384 179 3HG2 ILE 19 HG23 ILE 19 -1.334 -3.895 4.115 180 1HD1 ILE 19 HD11 ILE 19 -4.086 -2.876 6.008 181 2HD1 ILE 19 HD12 ILE 19 -2.581 -3.791 5.921 182 3HD1 ILE 19 HD13 ILE 19 -3.613 -3.653 4.497 183 H LEU 20 HN LEU 20 -1.739 0.264 1.098 184 HA LEU 20 HA LEU 20 0.104 -1.245 -0.526 185 1HB LEU 20 HB2 LEU 20 -0.845 -0.209 -2.421 186 2HB LEU 20 HB1 LEU 20 -2.170 -0.526 -1.325 187 HG LEU 20 HG LEU 20 -1.200 2.111 -0.832 188 1HD1 LEU 20 HD11 LEU 20 -1.426 1.333 -3.686 189 2HD1 LEU 20 HD12 LEU 20 -0.389 2.536 -2.920 190 3HD1 LEU 20 HD13 LEU 20 -2.095 2.888 -3.192 191 1HD2 LEU 20 HD21 LEU 20 -3.422 1.120 -0.385 192 2HD2 LEU 20 HD22 LEU 20 -3.760 1.216 -2.115 193 3HD2 LEU 20 HD23 LEU 20 -3.471 2.691 -1.186 194 H VAL 21 HN VAL 21 -0.282 1.965 0.721 195 HA VAL 21 HA VAL 21 1.877 3.282 -0.452 196 HB VAL 21 HB VAL 21 0.328 3.437 2.072 197 1HG1 VAL 21 HG11 VAL 21 2.652 5.208 1.428 198 2HG1 VAL 21 HG12 VAL 21 2.636 3.909 2.625 199 3HG1 VAL 21 HG13 VAL 21 1.591 5.321 2.836 200 1HG2 VAL 21 HG21 VAL 21 -0.672 4.266 0.036 201 2HG2 VAL 21 HG22 VAL 21 0.695 5.360 -0.214 202 3HG2 VAL 21 HG23 VAL 21 -0.381 5.591 1.167 203 H PHE 22 HN PHE 22 1.421 1.667 2.631 204 HA PHE 22 HA PHE 22 3.931 1.835 3.756 205 1HB PHE 22 HB2 PHE 22 2.488 0.931 5.244 206 2HB PHE 22 HB1 PHE 22 1.495 0.253 3.979 207 HD1 PHE 22 HD1 PHE 22 1.282 -1.861 3.876 208 HD2 PHE 22 HD2 PHE 22 4.823 -0.225 5.419 209 HE1 PHE 22 HE1 PHE 22 2.094 -4.145 4.348 210 HE2 PHE 22 HE2 PHE 22 5.692 -2.467 5.902 211 HZ PHE 22 HZ PHE 22 4.322 -4.449 5.349 212 H LEU 23 HN LEU 23 2.648 -0.172 1.250 213 HA LEU 23 HA LEU 23 4.954 -1.990 1.122 214 1HB LEU 23 HB2 LEU 23 2.587 -1.481 -0.659 215 2HB LEU 23 HB1 LEU 23 3.939 -2.422 -1.253 216 HG LEU 23 HG LEU 23 1.823 -3.538 -0.133 217 1HD1 LEU 23 HD11 LEU 23 3.689 -5.239 0.818 218 2HD1 LEU 23 HD12 LEU 23 4.675 -4.258 -0.269 219 3HD1 LEU 23 HD13 LEU 23 3.258 -5.110 -0.888 220 1HD2 LEU 23 HD21 LEU 23 1.744 -3.568 2.100 221 2HD2 LEU 23 HD22 LEU 23 2.712 -2.096 1.959 222 3HD2 LEU 23 HD23 LEU 23 3.500 -3.648 2.261 223 H LYS 24 HN LYS 24 3.886 0.867 -0.305 224 HA LYS 24 HA LYS 24 5.763 1.094 -2.396 225 1HB LYS 24 HB2 LYS 24 3.448 2.407 -1.374 226 2HB LYS 24 HB1 LYS 24 4.664 3.605 -1.681 227 1HG LYS 24 HG2 LYS 24 3.995 3.531 -3.801 228 2HG LYS 24 HG1 LYS 24 4.729 1.927 -3.869 229 1HD LYS 24 HD2 LYS 24 2.450 1.232 -2.745 230 2HD LYS 24 HD1 LYS 24 1.878 2.685 -3.574 231 1HE LYS 24 HE2 LYS 24 2.857 1.773 -5.684 232 2HE LYS 24 HE1 LYS 24 3.209 0.280 -4.814 233 1HZ LYS 24 HZ1 LYS 24 1.185 -0.141 -5.824 234 2HZ LYS 24 HZ2 LYS 24 0.587 1.416 -5.544 235 3HZ LYS 24 HZ3 LYS 24 0.720 0.320 -4.263 236 H THR 25 HN THR 25 5.460 2.352 0.805 237 HA THR 25 HA THR 25 7.727 4.021 0.750 238 HB THR 25 HB THR 25 6.836 3.293 3.395 239 HG1 THR 25 HG1 THR 25 4.927 2.654 2.288 240 1HG2 THR 25 HG21 THR 25 6.685 5.791 1.761 241 2HG2 THR 25 HG22 THR 25 7.722 5.440 3.144 242 3HG2 THR 25 HG23 THR 25 5.990 5.677 3.377 243 H ARG 26 HN ARG 26 6.966 0.788 2.083 244 HA ARG 26 HA ARG 26 9.407 0.401 3.421 245 1HB ARG 26 HB2 ARG 26 7.438 -1.463 2.122 246 2HB ARG 26 HB1 ARG 26 8.869 -2.068 2.946 247 1HG ARG 26 HG2 ARG 26 6.478 -0.687 4.092 248 2HG ARG 26 HG1 ARG 26 7.206 -2.213 4.553 249 1HD ARG 26 HD2 ARG 26 9.219 -0.866 5.297 250 2HD ARG 26 HD1 ARG 26 8.207 0.563 5.085 251 HE ARG 26 HE ARG 26 7.170 -1.544 6.805 252 1HH1 ARG 26 1HH1 ARG 26 8.770 1.554 6.575 253 2HH1 ARG 26 2HH1 ARG 26 8.398 2.003 8.204 254 1HH2 ARG 26 1HH2 ARG 26 6.685 -0.950 8.944 255 2HH2 ARG 26 2HH2 ARG 26 7.217 0.584 9.549 256 H VAL 27 HN VAL 27 8.354 -0.161 0.156 257 HA VAL 27 HA VAL 27 10.728 -1.338 -0.873 258 HB VAL 27 HB VAL 27 8.136 -0.326 -1.853 259 1HG1 VAL 27 HG11 VAL 27 10.557 -0.468 -3.601 260 2HG1 VAL 27 HG12 VAL 27 9.415 0.857 -3.389 261 3HG1 VAL 27 HG13 VAL 27 8.915 -0.610 -4.232 262 1HG2 VAL 27 HG21 VAL 27 9.762 -2.797 -2.436 263 2HG2 VAL 27 HG22 VAL 27 8.128 -2.491 -3.027 264 3HG2 VAL 27 HG23 VAL 27 8.423 -2.664 -1.297 265 H LEU 28 HN LEU 28 9.673 1.842 -0.199 266 HA LEU 28 HA LEU 28 11.365 3.223 -2.024 267 1HB LEU 28 HB2 LEU 28 9.932 4.899 -1.617 268 2HB LEU 28 HB1 LEU 28 8.987 3.731 -0.769 269 HG LEU 28 HG LEU 28 9.931 4.405 1.332 270 1HD1 LEU 28 HD11 LEU 28 11.217 6.802 0.898 271 2HD1 LEU 28 HD12 LEU 28 11.867 5.753 -0.363 272 3HD1 LEU 28 HD13 LEU 28 11.975 5.272 1.330 273 1HD2 LEU 28 HD21 LEU 28 8.042 5.708 0.019 274 2HD2 LEU 28 HD22 LEU 28 9.225 7.011 0.093 275 3HD2 LEU 28 HD23 LEU 28 8.637 6.272 1.579 276 H LYS 29 HN LYS 29 11.026 2.751 1.395 277 HA LYS 29 HA LYS 29 13.421 4.058 2.137 278 1HB LYS 29 HB2 LYS 29 12.983 3.398 4.345 279 2HB LYS 29 HB1 LYS 29 11.387 3.573 3.634 280 1HG LYS 29 HG2 LYS 29 11.179 1.189 3.391 281 2HG LYS 29 HG1 LYS 29 12.841 0.952 3.937 282 1HD LYS 29 HD2 LYS 29 11.995 2.262 6.049 283 2HD LYS 29 HD1 LYS 29 10.415 1.709 5.495 284 1HE LYS 29 HE2 LYS 29 11.181 -0.597 5.545 285 2HE LYS 29 HE1 LYS 29 12.792 -0.069 6.027 286 1HZ LYS 29 HZ1 LYS 29 10.897 -0.824 7.743 287 2HZ LYS 29 HZ2 LYS 29 10.625 0.846 7.721 288 3HZ LYS 29 HZ3 LYS 29 12.149 0.243 8.141 289 H ARG 30 HN ARG 30 12.578 1.004 0.990 290 HA ARG 30 HA ARG 30 14.959 -0.367 1.749 291 1HB ARG 30 HB2 ARG 30 12.532 -0.898 0.136 292 2HB ARG 30 HB1 ARG 30 13.918 -1.908 -0.160 293 1HG ARG 30 HG2 ARG 30 13.399 -1.614 2.652 294 2HG ARG 30 HG1 ARG 30 11.976 -2.190 1.795 295 1HD ARG 30 HD2 ARG 30 14.116 -3.656 0.745 296 2HD ARG 30 HD1 ARG 30 14.396 -3.601 2.485 297 HE ARG 30 HE ARG 30 11.786 -4.284 2.302 298 1HH1 ARG 30 1HH1 ARG 30 14.694 -5.571 0.863 299 2HH1 ARG 30 2HH1 ARG 30 14.085 -7.189 0.777 300 1HH2 ARG 30 1HH2 ARG 30 10.983 -6.413 2.189 301 2HH2 ARG 30 2HH2 ARG 30 11.979 -7.668 1.529 302 H TRP 31 HN TRP 31 13.661 1.513 -0.808 303 HA TRP 31 HA TRP 31 15.560 1.045 -2.807 304 1HB TRP 31 HB2 TRP 31 13.110 2.341 -2.437 305 2HB TRP 31 HB1 TRP 31 14.218 3.545 -2.965 306 HD1 TRP 31 HD1 TRP 31 12.453 0.570 -4.078 307 HE1 TRP 31 HE1 TRP 31 12.886 0.204 -6.584 308 HE3 TRP 31 HE3 TRP 31 15.966 3.886 -4.491 309 HZ2 TRP 31 HZ2 TRP 31 14.634 1.309 -8.523 310 HZ3 TRP 31 HZ3 TRP 31 17.105 4.302 -6.698 311 HH2 TRP 31 HH2 TRP 31 16.435 3.011 -8.683 312 H ARG 32 HN ARG 32 14.949 3.401 -0.183 313 HA ARG 32 HA ARG 32 17.081 5.177 -0.700 314 1HB ARG 32 HB2 ARG 32 15.774 4.175 1.791 315 2HB ARG 32 HB1 ARG 32 16.840 5.584 1.756 316 1HG ARG 32 HG2 ARG 32 15.284 6.703 0.258 317 2HG ARG 32 HG1 ARG 32 14.234 5.300 0.282 318 1HD ARG 32 HD2 ARG 32 13.222 6.196 2.019 319 2HD ARG 32 HD1 ARG 32 14.669 5.829 2.940 320 HE ARG 32 HE ARG 32 15.018 8.071 3.105 321 1HH1 ARG 32 1HH1 ARG 32 13.149 7.481 0.217 322 2HH1 ARG 32 2HH1 ARG 32 13.000 9.159 -0.181 323 1HH2 ARG 32 1HH2 ARG 32 14.821 10.280 2.585 324 2HH2 ARG 32 2HH2 ARG 32 13.948 10.748 1.163 325 H LEU 33 HN LEU 33 16.681 2.365 1.265 326 HA LEU 33 HA LEU 33 19.169 2.043 2.418 327 1HB LEU 33 HB2 LEU 33 16.742 0.469 1.770 328 2HB LEU 33 HB1 LEU 33 18.101 -0.358 2.409 329 HG LEU 33 HG LEU 33 16.087 0.855 3.796 330 1HD1 LEU 33 HD11 LEU 33 17.964 0.606 5.723 331 2HD1 LEU 33 HD12 LEU 33 18.664 -0.400 4.453 332 3HD1 LEU 33 HD13 LEU 33 17.047 -0.748 5.063 333 1HD2 LEU 33 HD21 LEU 33 18.536 2.499 4.276 334 2HD2 LEU 33 HD22 LEU 33 16.905 2.755 4.898 335 3HD2 LEU 33 HD23 LEU 33 17.248 2.996 3.182 336 H PHE 34 HN PHE 34 17.670 0.884 -0.428 337 HA PHE 34 HA PHE 34 19.797 -0.839 -1.250 338 1HB PHE 34 HB2 PHE 34 17.173 -0.108 -2.172 339 2HB PHE 34 HB1 PHE 34 18.286 -0.399 -3.476 340 HD1 PHE 34 HD1 PHE 34 18.309 -1.830 -0.174 341 HD2 PHE 34 HD2 PHE 34 17.512 -2.456 -4.278 342 HE1 PHE 34 HE1 PHE 34 18.115 -4.235 0.245 343 HE2 PHE 34 HE2 PHE 34 17.301 -4.859 -3.893 344 HZ PHE 34 HZ PHE 34 17.601 -5.782 -1.617 345 H SER 35 HN SER 35 18.995 2.369 -1.394 346 HA SER 35 HA SER 35 20.896 2.927 -3.604 347 1HB SER 35 HB2 SER 35 18.513 4.221 -2.888 348 2HB SER 35 HB1 SER 35 19.799 5.333 -2.432 349 HG SER 35 HG SER 35 18.940 4.566 -4.911 350 H LYS 36 HN LYS 36 20.590 3.223 -0.143 351 HA LYS 36 HA LYS 36 22.903 4.945 0.056 352 1HB LYS 36 HB2 LYS 36 22.080 5.457 2.065 353 2HB LYS 36 HB1 LYS 36 20.720 4.408 1.706 354 1HG LYS 36 HG2 LYS 36 21.731 2.578 2.850 355 2HG LYS 36 HG1 LYS 36 23.255 3.453 3.017 356 1HD LYS 36 HD2 LYS 36 21.969 3.448 5.108 357 2HD LYS 36 HD1 LYS 36 22.191 5.079 4.474 358 1HE LYS 36 HE2 LYS 36 19.783 3.957 3.405 359 2HE LYS 36 HE1 LYS 36 19.780 3.794 5.162 360 1HZ LYS 36 HZ1 LYS 36 19.748 6.212 3.519 361 2HZ LYS 36 HZ2 LYS 36 20.575 6.283 4.992 362 3HZ LYS 36 HZ3 LYS 36 18.933 5.876 4.965 363 H HIS 37 HN HIS 37 22.264 1.596 0.027 364 HA HIS 37 HA HIS 37 24.642 0.775 1.387 365 1HB HIS 37 HB2 HIS 37 22.296 -0.480 0.266 366 2HB HIS 37 HB1 HIS 37 23.745 -1.338 -0.221 367 HD1 HIS 37 HD1 HIS 37 24.234 -3.192 1.334 368 HD2 HIS 37 HD2 HIS 37 22.549 0.064 3.290 369 HE1 HIS 37 HE1 HIS 37 24.096 -3.860 3.754 370 HE2 HIS 37 HE2 HIS 37 23.007 -1.903 4.908 371 H GLU 38 HN GLU 38 23.608 0.792 -2.012 372 HA GLU 38 HA GLU 38 26.309 0.176 -2.874 373 1HB GLU 38 HB2 GLU 38 23.616 0.143 -4.089 374 2HB GLU 38 HB1 GLU 38 24.931 0.571 -5.173 375 1HG GLU 38 HG2 GLU 38 26.067 -1.497 -4.683 376 2HG GLU 38 HG1 GLU 38 24.847 -1.912 -3.479 Start of MODEL 13 1 1H VAL 1 HT1 VAL 1 -24.266 -7.857 0.962 2 2H VAL 1 HT2 VAL 1 -25.607 -8.730 1.582 3 3H VAL 1 HT3 VAL 1 -24.456 -8.046 2.655 4 HA VAL 1 HA VAL 1 -26.421 -6.683 0.955 5 HB VAL 1 HB VAL 1 -25.966 -6.108 3.849 6 1HG1 VAL 1 HG11 VAL 1 -27.904 -5.501 1.817 7 2HG1 VAL 1 HG12 VAL 1 -27.721 -4.812 3.431 8 3HG1 VAL 1 HG13 VAL 1 -28.688 -6.268 3.198 9 1HG2 VAL 1 HG21 VAL 1 -27.325 -7.888 4.619 10 2HG2 VAL 1 HG22 VAL 1 -26.105 -8.623 3.579 11 3HG2 VAL 1 HG23 VAL 1 -27.745 -8.376 2.978 12 H MET 2 HN MET 2 -26.406 -4.269 1.398 13 HA MET 2 HA MET 2 -24.060 -3.136 0.490 14 1HB MET 2 HB2 MET 2 -26.656 -2.225 1.472 15 2HB MET 2 HB1 MET 2 -25.365 -1.087 1.769 16 1HG MET 2 HG2 MET 2 -26.028 -2.275 -0.903 17 2HG MET 2 HG1 MET 2 -26.541 -0.683 -0.347 18 1HE MET 2 HE1 MET 2 -25.848 0.880 -1.547 19 2HE MET 2 HE2 MET 2 -24.305 1.139 -2.360 20 3HE MET 2 HE3 MET 2 -24.508 1.629 -0.678 21 HA PRO 3 HA PRO 3 -23.467 -1.393 5.142 22 1HB PRO 3 HB2 PRO 3 -24.250 -3.641 6.721 23 2HB PRO 3 HB1 PRO 3 -24.937 -2.024 6.726 24 1HG PRO 3 HG2 PRO 3 -25.860 -4.456 5.324 25 2HG PRO 3 HG1 PRO 3 -26.800 -3.071 5.908 26 1HD PRO 3 HD2 PRO 3 -26.341 -3.424 3.303 27 2HD PRO 3 HD1 PRO 3 -26.319 -1.797 4.017 28 H LYS 4 HN LYS 4 -23.233 -4.669 4.064 29 HA LYS 4 HA LYS 4 -20.667 -5.048 5.426 30 1HB LYS 4 HB2 LYS 4 -22.521 -6.908 3.954 31 2HB LYS 4 HB1 LYS 4 -20.918 -7.399 4.485 32 1HG LYS 4 HG2 LYS 4 -22.587 -6.175 6.568 33 2HG LYS 4 HG1 LYS 4 -23.180 -7.713 5.937 34 1HD LYS 4 HD2 LYS 4 -20.355 -7.285 6.892 35 2HD LYS 4 HD1 LYS 4 -21.651 -7.887 7.926 36 1HE LYS 4 HE2 LYS 4 -21.988 -9.659 6.077 37 2HE LYS 4 HE1 LYS 4 -20.375 -9.186 5.546 38 1HZ LYS 4 HZ1 LYS 4 -21.153 -10.797 7.778 39 2HZ LYS 4 HZ2 LYS 4 -20.102 -9.551 8.233 40 3HZ LYS 4 HZ3 LYS 4 -19.642 -10.649 7.031 41 H GLN 5 HN GLN 5 -21.937 -4.297 2.330 42 HA GLN 5 HA GLN 5 -19.576 -5.183 0.939 43 1HB GLN 5 HB2 GLN 5 -21.082 -5.409 -0.718 44 2HB GLN 5 HB1 GLN 5 -22.291 -4.650 0.297 45 1HG GLN 5 HG2 GLN 5 -22.319 -3.341 -1.555 46 2HG GLN 5 HG1 GLN 5 -21.274 -2.435 -0.495 47 1HE2 GLN 5 HE21 GLN 5 -19.022 -4.229 -1.015 48 2HE2 GLN 5 HE22 GLN 5 -18.539 -3.888 -2.615 49 H ILE 6 HN ILE 6 -20.908 -2.254 2.234 50 HA ILE 6 HA ILE 6 -18.956 -0.639 0.867 51 HB ILE 6 HB ILE 6 -19.893 1.154 2.452 52 1HG1 ILE 6 HG12 ILE 6 -22.190 0.851 3.128 53 2HG1 ILE 6 HG11 ILE 6 -22.196 -0.784 2.535 54 1HG2 ILE 6 HG21 ILE 6 -21.568 0.012 0.250 55 2HG2 ILE 6 HG22 ILE 6 -20.146 1.037 0.038 56 3HG2 ILE 6 HG23 ILE 6 -21.591 1.682 0.823 57 1HD1 ILE 6 HD11 ILE 6 -20.976 -1.555 4.301 58 2HD1 ILE 6 HD12 ILE 6 -21.847 -0.235 5.075 59 3HD1 ILE 6 HD13 ILE 6 -20.171 -0.012 4.561 60 H VAL 7 HN VAL 7 -19.450 -2.256 3.879 61 HA VAL 7 HA VAL 7 -17.439 -0.885 5.379 62 HB VAL 7 HB VAL 7 -19.522 -2.283 6.199 63 1HG1 VAL 7 HG11 VAL 7 -17.390 -4.413 6.175 64 2HG1 VAL 7 HG12 VAL 7 -18.804 -4.386 5.121 65 3HG1 VAL 7 HG13 VAL 7 -19.008 -4.544 6.865 66 1HG2 VAL 7 HG21 VAL 7 -17.021 -2.703 7.743 67 2HG2 VAL 7 HG22 VAL 7 -18.629 -2.241 8.303 68 3HG2 VAL 7 HG23 VAL 7 -17.627 -1.077 7.438 69 H TYR 8 HN TYR 8 -17.851 -3.782 3.511 70 HA TYR 8 HA TYR 8 -15.356 -5.040 3.863 71 1HB TYR 8 HB2 TYR 8 -17.643 -5.245 2.084 72 2HB TYR 8 HB1 TYR 8 -16.130 -5.452 1.209 73 HD1 TYR 8 HD1 TYR 8 -14.427 -6.698 3.161 74 HD2 TYR 8 HD2 TYR 8 -18.524 -7.392 2.349 75 HE1 TYR 8 HE1 TYR 8 -14.218 -8.858 4.082 76 HE2 TYR 8 HE2 TYR 8 -18.331 -9.612 3.262 77 HH TYR 8 HH TYR 8 -16.573 -11.309 3.696 78 H TRP 9 HN TRP 9 -16.682 -2.750 1.537 79 HA TRP 9 HA TRP 9 -14.400 -2.277 -0.047 80 1HB TRP 9 HB2 TRP 9 -16.995 -0.996 0.495 81 2HB TRP 9 HB1 TRP 9 -15.715 0.153 0.107 82 HD1 TRP 9 HD1 TRP 9 -18.197 -1.894 -1.497 83 HE1 TRP 9 HE1 TRP 9 -17.623 -2.075 -4.034 84 HE3 TRP 9 HE3 TRP 9 -13.555 -0.159 -1.343 85 HZ2 TRP 9 HZ2 TRP 9 -15.463 -1.529 -5.715 86 HZ3 TRP 9 HZ3 TRP 9 -12.239 0.024 -3.419 87 HH2 TRP 9 HH2 TRP 9 -13.205 -0.666 -5.568 88 H LYS 10 HN LYS 10 -15.894 -0.362 2.370 89 HA LYS 10 HA LYS 10 -13.999 1.541 2.893 90 1HB LYS 10 HB2 LYS 10 -16.172 1.748 3.832 91 2HB LYS 10 HB1 LYS 10 -16.027 0.217 4.679 92 1HG LYS 10 HG2 LYS 10 -13.933 1.694 5.664 93 2HG LYS 10 HG1 LYS 10 -15.229 2.874 5.486 94 1HD LYS 10 HD2 LYS 10 -16.061 0.316 6.653 95 2HD LYS 10 HD1 LYS 10 -14.904 1.220 7.631 96 1HE LYS 10 HE2 LYS 10 -16.695 3.152 6.818 97 2HE LYS 10 HE1 LYS 10 -17.719 1.745 7.101 98 1HZ LYS 10 HZ1 LYS 10 -17.006 1.603 9.321 99 2HZ LYS 10 HZ2 LYS 10 -17.317 3.245 9.063 100 3HZ LYS 10 HZ3 LYS 10 -15.724 2.680 9.079 101 H GLN 11 HN GLN 11 -14.348 -1.606 4.535 102 HA GLN 11 HA GLN 11 -11.959 -1.152 6.069 103 1HB GLN 11 HB2 GLN 11 -12.358 -3.230 7.075 104 2HB GLN 11 HB1 GLN 11 -13.961 -2.603 6.760 105 1HG GLN 11 HG2 GLN 11 -14.267 -4.065 4.923 106 2HG GLN 11 HG1 GLN 11 -12.568 -4.512 4.909 107 1HE2 GLN 11 HE21 GLN 11 -13.158 -4.474 8.118 108 2HE2 GLN 11 HE22 GLN 11 -13.703 -6.094 8.336 109 H TRP 12 HN TRP 12 -12.245 -1.596 2.960 110 HA TRP 12 HA TRP 12 -9.838 -3.278 2.699 111 1HB TRP 12 HB2 TRP 12 -11.998 -3.952 1.514 112 2HB TRP 12 HB1 TRP 12 -11.757 -2.597 0.480 113 HD1 TRP 12 HD1 TRP 12 -10.747 -6.068 0.932 114 HE1 TRP 12 HE1 TRP 12 -8.902 -6.656 -0.744 115 HE3 TRP 12 HE3 TRP 12 -9.832 -1.473 -0.630 116 HZ2 TRP 12 HZ2 TRP 12 -7.256 -5.267 -2.573 117 HZ3 TRP 12 HZ3 TRP 12 -8.102 -1.059 -2.385 118 HH2 TRP 12 HH2 TRP 12 -6.826 -2.971 -3.340 119 H LEU 13 HN LEU 13 -11.336 -0.190 1.749 120 HA LEU 13 HA LEU 13 -8.814 0.585 0.497 121 1HB LEU 13 HB2 LEU 13 -10.916 1.015 -0.728 122 2HB LEU 13 HB1 LEU 13 -11.473 2.023 0.594 123 HG LEU 13 HG LEU 13 -9.445 3.493 0.156 124 1HD1 LEU 13 HD11 LEU 13 -9.013 3.092 -2.515 125 2HD1 LEU 13 HD12 LEU 13 -9.079 1.445 -1.891 126 3HD1 LEU 13 HD13 LEU 13 -7.927 2.598 -1.218 127 1HD2 LEU 13 HD21 LEU 13 -11.819 3.181 -1.610 128 2HD2 LEU 13 HD22 LEU 13 -10.575 4.348 -2.061 129 3HD2 LEU 13 HD23 LEU 13 -11.396 4.488 -0.506 130 H SER 14 HN SER 14 -10.389 0.790 3.471 131 HA SER 14 HA SER 14 -9.234 3.333 4.182 132 1HB SER 14 HB2 SER 14 -11.403 1.950 5.166 133 2HB SER 14 HB1 SER 14 -10.179 1.634 6.385 134 HG SER 14 HG SER 14 -11.166 4.134 5.507 135 H LEU 15 HN LEU 15 -8.777 -0.059 4.967 136 HA LEU 15 HA LEU 15 -6.419 0.480 6.487 137 1HB LEU 15 HB2 LEU 15 -7.540 -2.152 5.551 138 2HB LEU 15 HB1 LEU 15 -6.354 -1.899 6.810 139 HG LEU 15 HG LEU 15 -8.265 -2.249 8.049 140 1HD1 LEU 15 HD11 LEU 15 -7.255 -0.075 8.659 141 2HD1 LEU 15 HD12 LEU 15 -8.993 -0.122 8.955 142 3HD1 LEU 15 HD13 LEU 15 -8.362 0.720 7.537 143 1HD2 LEU 15 HD21 LEU 15 -10.252 -0.608 6.917 144 2HD2 LEU 15 HD22 LEU 15 -10.184 -2.371 6.961 145 3HD2 LEU 15 HD23 LEU 15 -9.478 -1.490 5.595 146 H ARG 16 HN ARG 16 -7.098 -1.431 3.593 147 HA ARG 16 HA ARG 16 -4.540 -2.010 2.840 148 1HB ARG 16 HB2 ARG 16 -6.955 -1.421 1.217 149 2HB ARG 16 HB1 ARG 16 -5.439 -1.713 0.409 150 1HG ARG 16 HG2 ARG 16 -6.946 -3.592 2.209 151 2HG ARG 16 HG1 ARG 16 -6.668 -3.755 0.474 152 1HD ARG 16 HD2 ARG 16 -4.235 -3.909 0.931 153 2HD ARG 16 HD1 ARG 16 -4.592 -3.874 2.658 154 HE ARG 16 HE ARG 16 -6.078 -5.940 1.841 155 1HH1 ARG 16 1HH1 ARG 16 -2.741 -5.123 1.216 156 2HH1 ARG 16 2HH1 ARG 16 -2.238 -6.772 1.061 157 1HH2 ARG 16 1HH2 ARG 16 -5.415 -8.108 1.642 158 2HH2 ARG 16 2HH2 ARG 16 -3.755 -8.466 1.303 159 H ASN 17 HN ASN 17 -6.157 1.005 2.613 160 HA ASN 17 HA ASN 17 -4.553 2.389 0.846 161 1HB ASN 17 HB2 ASN 17 -6.579 2.942 2.807 162 2HB ASN 17 HB1 ASN 17 -5.406 4.197 2.781 163 1HD2 ASN 17 HD21 ASN 17 -7.573 5.179 2.109 164 2HD2 ASN 17 HD22 ASN 17 -7.805 5.315 0.411 165 HA PRO 18 HA PRO 18 -1.856 4.311 4.292 166 1HB PRO 18 HB2 PRO 18 -2.185 3.196 6.807 167 2HB PRO 18 HB1 PRO 18 -2.783 4.775 6.292 168 1HG PRO 18 HG2 PRO 18 -4.187 2.155 6.355 169 2HG PRO 18 HG1 PRO 18 -4.790 3.762 6.798 170 1HD PRO 18 HD2 PRO 18 -5.454 2.700 4.472 171 2HD PRO 18 HD1 PRO 18 -5.018 4.412 4.571 172 H ILE 19 HN ILE 19 -2.837 1.055 4.229 173 HA ILE 19 HA ILE 19 -0.391 -0.038 5.232 174 HB ILE 19 HB ILE 19 -2.558 -1.368 3.629 175 1HG1 ILE 19 HG12 ILE 19 -2.003 -1.211 6.589 176 2HG1 ILE 19 HG11 ILE 19 -3.380 -0.535 5.750 177 1HG2 ILE 19 HG21 ILE 19 -0.603 -2.820 5.361 178 2HG2 ILE 19 HG22 ILE 19 -0.190 -2.418 3.698 179 3HG2 ILE 19 HG23 ILE 19 -1.588 -3.432 4.033 180 1HD1 ILE 19 HD11 ILE 19 -4.236 -2.441 6.737 181 2HD1 ILE 19 HD12 ILE 19 -2.790 -3.389 6.392 182 3HD1 ILE 19 HD13 ILE 19 -3.900 -2.967 5.088 183 H LEU 20 HN LEU 20 -1.653 0.669 2.095 184 HA LEU 20 HA LEU 20 0.318 -0.528 0.486 185 1HB LEU 20 HB2 LEU 20 -1.379 1.911 -0.077 186 2HB LEU 20 HB1 LEU 20 -0.399 1.081 -1.266 187 HG LEU 20 HG LEU 20 -3.058 0.440 -0.242 188 1HD1 LEU 20 HD11 LEU 20 -3.468 0.152 -2.412 189 2HD1 LEU 20 HD12 LEU 20 -2.095 -0.937 -2.615 190 3HD1 LEU 20 HD13 LEU 20 -1.853 0.808 -2.683 191 1HD2 LEU 20 HD21 LEU 20 -1.792 -1.327 0.889 192 2HD2 LEU 20 HD22 LEU 20 -1.090 -1.806 -0.659 193 3HD2 LEU 20 HD23 LEU 20 -2.825 -1.973 -0.389 194 H VAL 21 HN VAL 21 -0.152 2.600 1.899 195 HA VAL 21 HA VAL 21 2.050 4.003 1.046 196 HB VAL 21 HB VAL 21 0.345 3.854 3.453 197 1HG1 VAL 21 HG11 VAL 21 1.576 5.425 4.670 198 2HG1 VAL 21 HG12 VAL 21 2.604 5.811 3.287 199 3HG1 VAL 21 HG13 VAL 21 2.751 4.242 4.086 200 1HG2 VAL 21 HG21 VAL 21 -0.468 4.972 1.476 201 2HG2 VAL 21 HG22 VAL 21 0.929 6.057 1.481 202 3HG2 VAL 21 HG23 VAL 21 -0.254 6.131 2.791 203 H PHE 22 HN PHE 22 1.473 2.015 3.877 204 HA PHE 22 HA PHE 22 3.967 2.080 5.100 205 1HB PHE 22 HB2 PHE 22 2.520 1.070 6.485 206 2HB PHE 22 HB1 PHE 22 1.505 0.543 5.167 207 HD1 PHE 22 HD1 PHE 22 4.771 -0.141 6.629 208 HD2 PHE 22 HD2 PHE 22 1.305 -1.587 4.739 209 HE1 PHE 22 HE1 PHE 22 5.644 -2.424 6.840 210 HE2 PHE 22 HE2 PHE 22 2.127 -3.897 4.930 211 HZ PHE 22 HZ PHE 22 4.319 -4.324 5.975 212 H LEU 23 HN LEU 23 2.734 0.350 2.372 213 HA LEU 23 HA LEU 23 5.100 -1.423 2.266 214 1HB LEU 23 HB2 LEU 23 2.824 -1.027 0.340 215 2HB LEU 23 HB1 LEU 23 4.188 -2.075 0.005 216 HG LEU 23 HG LEU 23 3.334 -3.003 2.439 217 1HD1 LEU 23 HD11 LEU 23 0.787 -2.882 1.018 218 2HD1 LEU 23 HD12 LEU 23 1.365 -1.328 1.637 219 3HD1 LEU 23 HD13 LEU 23 1.150 -2.696 2.736 220 1HD2 LEU 23 HD21 LEU 23 3.130 -3.818 -0.381 221 2HD2 LEU 23 HD22 LEU 23 1.986 -4.602 0.708 222 3HD2 LEU 23 HD23 LEU 23 3.718 -4.714 1.019 223 H LYS 24 HN LYS 24 3.866 1.438 0.870 224 HA LYS 24 HA LYS 24 5.612 1.720 -1.299 225 1HB LYS 24 HB2 LYS 24 3.486 3.107 -0.022 226 2HB LYS 24 HB1 LYS 24 4.754 4.247 -0.334 227 1HG LYS 24 HG2 LYS 24 3.952 4.375 -2.402 228 2HG LYS 24 HG1 LYS 24 4.549 2.730 -2.632 229 1HD LYS 24 HD2 LYS 24 2.265 2.191 -1.354 230 2HD LYS 24 HD1 LYS 24 1.797 3.690 -2.171 231 1HE LYS 24 HE2 LYS 24 3.031 2.402 -4.195 232 2HE LYS 24 HE1 LYS 24 2.408 1.026 -3.285 233 1HZ LYS 24 HZ1 LYS 24 0.305 1.509 -3.836 234 2HZ LYS 24 HZ2 LYS 24 1.000 2.386 -5.104 235 3HZ LYS 24 HZ3 LYS 24 0.520 3.182 -3.692 236 H THR 25 HN THR 25 5.647 2.839 1.980 237 HA THR 25 HA THR 25 8.046 4.317 1.812 238 HB THR 25 HB THR 25 6.552 4.935 3.540 239 HG1 THR 25 HG1 THR 25 8.814 4.734 4.177 240 1HG2 THR 25 HG21 THR 25 5.657 2.391 3.590 241 2HG2 THR 25 HG22 THR 25 5.302 3.599 4.829 242 3HG2 THR 25 HG23 THR 25 6.607 2.440 5.079 243 H ARG 26 HN ARG 26 7.172 1.073 2.972 244 HA ARG 26 HA ARG 26 9.705 0.323 3.928 245 1HB ARG 26 HB2 ARG 26 7.416 -1.209 2.728 246 2HB ARG 26 HB1 ARG 26 8.855 -2.022 3.334 247 1HG ARG 26 HG2 ARG 26 6.769 -0.511 4.854 248 2HG ARG 26 HG1 ARG 26 7.343 -2.151 5.097 249 1HD ARG 26 HD2 ARG 26 9.501 -1.260 5.861 250 2HD ARG 26 HD1 ARG 26 8.886 0.378 5.631 251 HE ARG 26 HE ARG 26 7.814 0.201 7.632 252 1HH1 ARG 26 1HH1 ARG 26 8.553 -3.017 6.503 253 2HH1 ARG 26 2HH1 ARG 26 7.988 -3.788 7.947 254 1HH2 ARG 26 1HH2 ARG 26 7.071 -0.809 9.531 255 2HH2 ARG 26 2HH2 ARG 26 7.147 -2.535 9.667 256 H VAL 27 HN VAL 27 8.240 0.224 0.781 257 HA VAL 27 HA VAL 27 10.347 -1.086 -0.617 258 HB VAL 27 HB VAL 27 7.765 0.228 -1.201 259 1HG1 VAL 27 HG11 VAL 27 8.216 0.035 -3.661 260 2HG1 VAL 27 HG12 VAL 27 9.928 -0.062 -3.244 261 3HG1 VAL 27 HG13 VAL 27 8.995 1.370 -2.813 262 1HG2 VAL 27 HG21 VAL 27 8.092 -2.222 -0.775 263 2HG2 VAL 27 HG22 VAL 27 8.949 -2.304 -2.315 264 3HG2 VAL 27 HG23 VAL 27 7.251 -1.828 -2.275 265 H LEU 28 HN LEU 28 9.658 2.092 0.427 266 HA LEU 28 HA LEU 28 11.208 3.509 -1.485 267 1HB LEU 28 HB2 LEU 28 10.042 5.256 -0.691 268 2HB LEU 28 HB1 LEU 28 9.104 4.088 0.165 269 HG LEU 28 HG LEU 28 10.450 4.408 2.152 270 1HD1 LEU 28 HD11 LEU 28 12.528 5.173 1.917 271 2HD1 LEU 28 HD12 LEU 28 11.818 6.778 1.756 272 3HD1 LEU 28 HD13 LEU 28 12.187 5.829 0.317 273 1HD2 LEU 28 HD21 LEU 28 8.550 6.108 1.138 274 2HD2 LEU 28 HD22 LEU 28 9.846 7.206 1.612 275 3HD2 LEU 28 HD23 LEU 28 9.147 6.103 2.797 276 H LYS 29 HN LYS 29 11.323 2.747 1.897 277 HA LYS 29 HA LYS 29 13.916 3.760 2.351 278 1HB LYS 29 HB2 LYS 29 13.793 2.787 4.534 279 2HB LYS 29 HB1 LYS 29 12.198 3.413 4.150 280 1HG LYS 29 HG2 LYS 29 11.430 1.168 3.609 281 2HG LYS 29 HG1 LYS 29 13.041 0.527 3.947 282 1HD LYS 29 HD2 LYS 29 11.782 2.142 6.080 283 2HD LYS 29 HD1 LYS 29 11.058 0.567 5.756 284 1HE LYS 29 HE2 LYS 29 13.963 0.466 5.863 285 2HE LYS 29 HE1 LYS 29 13.251 1.063 7.361 286 1HZ LYS 29 HZ1 LYS 29 11.691 -0.976 7.039 287 2HZ LYS 29 HZ2 LYS 29 13.231 -1.185 7.707 288 3HZ LYS 29 HZ3 LYS 29 12.956 -1.563 6.081 289 H ARG 30 HN ARG 30 12.626 0.902 1.099 290 HA ARG 30 HA ARG 30 14.985 -0.685 1.370 291 1HB ARG 30 HB2 ARG 30 12.284 -0.951 0.193 292 2HB ARG 30 HB1 ARG 30 13.515 -2.038 -0.379 293 1HG ARG 30 HG2 ARG 30 13.497 -1.847 2.491 294 2HG ARG 30 HG1 ARG 30 11.918 -2.294 1.864 295 1HD ARG 30 HD2 ARG 30 14.521 -3.694 1.256 296 2HD ARG 30 HD1 ARG 30 13.275 -4.273 2.356 297 HE ARG 30 HE ARG 30 11.900 -4.766 0.517 298 1HH1 ARG 30 1HH1 ARG 30 14.995 -3.480 -0.484 299 2HH1 ARG 30 2HH1 ARG 30 14.832 -4.038 -2.113 300 1HH2 ARG 30 1HH2 ARG 30 11.698 -5.494 -1.628 301 2HH2 ARG 30 2HH2 ARG 30 12.968 -5.178 -2.762 302 H TRP 31 HN TRP 31 13.419 1.422 -0.853 303 HA TRP 31 HA TRP 31 14.934 0.908 -3.154 304 1HB TRP 31 HB2 TRP 31 12.681 2.382 -2.345 305 2HB TRP 31 HB1 TRP 31 13.794 3.499 -3.028 306 HD1 TRP 31 HD1 TRP 31 11.627 0.710 -3.896 307 HE1 TRP 31 HE1 TRP 31 11.616 0.399 -6.446 308 HE3 TRP 31 HE3 TRP 31 15.279 3.766 -4.807 309 HZ2 TRP 31 HZ2 TRP 31 13.108 1.439 -8.622 310 HZ3 TRP 31 HZ3 TRP 31 16.074 4.172 -7.161 311 HH2 TRP 31 HH2 TRP 31 14.990 3.004 -9.038 312 H ARG 32 HN ARG 32 14.900 3.159 -0.412 313 HA ARG 32 HA ARG 32 17.016 4.854 -1.125 314 1HB ARG 32 HB2 ARG 32 16.022 3.750 1.473 315 2HB ARG 32 HB1 ARG 32 17.100 5.145 1.355 316 1HG ARG 32 HG2 ARG 32 14.414 5.082 0.017 317 2HG ARG 32 HG1 ARG 32 14.618 5.596 1.671 318 1HD ARG 32 HD2 ARG 32 16.034 6.723 -0.706 319 2HD ARG 32 HD1 ARG 32 14.604 7.434 0.034 320 HE ARG 32 HE ARG 32 17.134 7.113 1.515 321 1HH1 ARG 32 1HH1 ARG 32 14.444 9.102 0.485 322 2HH1 ARG 32 2HH1 ARG 32 14.916 10.449 1.461 323 1HH2 ARG 32 1HH2 ARG 32 17.743 8.888 2.790 324 2HH2 ARG 32 2HH2 ARG 32 16.784 10.331 2.765 325 H LEU 33 HN LEU 33 16.764 1.926 0.697 326 HA LEU 33 HA LEU 33 19.390 1.435 1.428 327 1HB LEU 33 HB2 LEU 33 16.803 0.026 1.123 328 2HB LEU 33 HB1 LEU 33 18.195 -0.911 1.470 329 HG LEU 33 HG LEU 33 16.526 0.307 3.242 330 1HD1 LEU 33 HD11 LEU 33 19.208 -0.223 4.302 331 2HD1 LEU 33 HD12 LEU 33 18.510 -1.542 3.362 332 3HD1 LEU 33 HD13 LEU 33 17.652 -0.910 4.767 333 1HD2 LEU 33 HD21 LEU 33 17.597 2.103 4.278 334 2HD2 LEU 33 HD22 LEU 33 17.706 2.420 2.543 335 3HD2 LEU 33 HD23 LEU 33 19.107 1.796 3.416 336 H PHE 34 HN PHE 34 17.376 0.511 -1.179 337 HA PHE 34 HA PHE 34 19.252 -1.261 -2.421 338 1HB PHE 34 HB2 PHE 34 16.530 -0.426 -2.825 339 2HB PHE 34 HB1 PHE 34 17.384 -0.686 -4.320 340 HD1 PHE 34 HD1 PHE 34 16.468 -2.706 -5.059 341 HD2 PHE 34 HD2 PHE 34 17.926 -2.239 -1.118 342 HE1 PHE 34 HE1 PHE 34 16.284 -5.121 -4.728 343 HE2 PHE 34 HE2 PHE 34 17.753 -4.656 -0.754 344 HZ PHE 34 HZ PHE 34 16.922 -6.129 -2.561 345 H SER 35 HN SER 35 18.604 1.975 -2.302 346 HA SER 35 HA SER 35 20.056 2.547 -4.827 347 1HB SER 35 HB2 SER 35 17.939 3.920 -3.594 348 2HB SER 35 HB1 SER 35 19.352 4.943 -3.364 349 HG SER 35 HG SER 35 18.461 3.870 -5.833 350 H LYS 36 HN LYS 36 20.378 2.821 -1.355 351 HA LYS 36 HA LYS 36 22.794 4.373 -1.509 352 1HB LYS 36 HB2 LYS 36 22.725 4.468 0.783 353 2HB LYS 36 HB1 LYS 36 21.033 4.195 0.412 354 1HG LYS 36 HG2 LYS 36 21.254 1.850 0.952 355 2HG LYS 36 HG1 LYS 36 22.984 2.056 1.236 356 1HD LYS 36 HD2 LYS 36 21.601 2.011 3.315 357 2HD LYS 36 HD1 LYS 36 22.572 3.471 3.124 358 1HE LYS 36 HE2 LYS 36 19.793 3.489 2.067 359 2HE LYS 36 HE1 LYS 36 20.011 3.561 3.815 360 1HZ LYS 36 HZ1 LYS 36 20.421 5.712 3.607 361 2HZ LYS 36 HZ2 LYS 36 20.307 5.622 1.923 362 3HZ LYS 36 HZ3 LYS 36 21.797 5.372 2.684 363 H HIS 37 HN HIS 37 21.981 1.090 -1.666 364 HA HIS 37 HA HIS 37 24.485 0.011 -0.847 365 1HB HIS 37 HB2 HIS 37 23.140 -1.744 -0.704 366 2HB HIS 37 HB1 HIS 37 21.876 -0.952 -1.570 367 HD1 HIS 37 HD1 HIS 37 24.583 -3.473 -1.993 368 HD2 HIS 37 HD2 HIS 37 21.647 -1.589 -4.236 369 HE1 HIS 37 HE1 HIS 37 24.392 -4.828 -4.106 370 HE2 HIS 37 HE2 HIS 37 22.521 -3.739 -5.400 371 H GLU 38 HN GLU 38 22.855 0.088 -3.983 372 HA GLU 38 HA GLU 38 25.507 0.227 -5.259 373 1HB GLU 38 HB2 GLU 38 24.724 -1.034 -7.105 374 2HB GLU 38 HB1 GLU 38 24.197 -1.890 -5.669 375 1HG GLU 38 HG2 GLU 38 22.043 -1.683 -6.203 376 2HG GLU 38 HG1 GLU 38 22.220 0.013 -6.646 Start of MODEL 14 1 1H VAL 1 HT1 VAL 1 -26.370 2.396 -1.116 2 2H VAL 1 HT2 VAL 1 -26.939 1.812 0.394 3 3H VAL 1 HT3 VAL 1 -27.364 1.001 -1.057 4 HA VAL 1 HA VAL 1 -25.356 0.078 -1.324 5 HB VAL 1 HB VAL 1 -23.323 0.897 -0.101 6 1HG1 VAL 1 HG11 VAL 1 -23.822 3.287 -1.557 7 2HG1 VAL 1 HG12 VAL 1 -24.605 1.950 -2.399 8 3HG1 VAL 1 HG13 VAL 1 -22.880 1.878 -2.041 9 1HG2 VAL 1 HG21 VAL 1 -24.418 2.089 1.706 10 2HG2 VAL 1 HG22 VAL 1 -25.126 3.225 0.557 11 3HG2 VAL 1 HG23 VAL 1 -23.379 3.187 0.798 12 H MET 2 HN MET 2 -24.883 -1.777 -0.275 13 HA MET 2 HA MET 2 -26.201 -2.420 2.102 14 1HB MET 2 HB2 MET 2 -24.425 -3.726 0.177 15 2HB MET 2 HB1 MET 2 -24.296 -4.353 1.802 16 1HG MET 2 HG2 MET 2 -26.729 -4.718 1.829 17 2HG MET 2 HG1 MET 2 -26.795 -4.144 0.162 18 1HE MET 2 HE1 MET 2 -26.305 -8.203 1.677 19 2HE MET 2 HE2 MET 2 -26.452 -6.692 2.575 20 3HE MET 2 HE3 MET 2 -24.857 -7.355 2.218 21 HA PRO 3 HA PRO 3 -23.556 -0.501 5.160 22 1HB PRO 3 HB2 PRO 3 -24.229 -2.512 7.047 23 2HB PRO 3 HB1 PRO 3 -24.914 -0.900 6.908 24 1HG PRO 3 HG2 PRO 3 -25.948 -3.484 5.915 25 2HG PRO 3 HG1 PRO 3 -26.838 -2.034 6.413 26 1HD PRO 3 HD2 PRO 3 -26.612 -2.721 3.839 27 2HD PRO 3 HD1 PRO 3 -26.576 -1.017 4.343 28 H LYS 4 HN LYS 4 -23.502 -3.854 4.381 29 HA LYS 4 HA LYS 4 -20.905 -4.256 5.658 30 1HB LYS 4 HB2 LYS 4 -22.732 -6.184 4.226 31 2HB LYS 4 HB1 LYS 4 -21.244 -6.626 5.051 32 1HG LYS 4 HG2 LYS 4 -22.269 -5.684 7.154 33 2HG LYS 4 HG1 LYS 4 -23.790 -5.591 6.264 34 1HD LYS 4 HD2 LYS 4 -22.783 -8.175 5.814 35 2HD LYS 4 HD1 LYS 4 -22.558 -7.856 7.536 36 1HE LYS 4 HE2 LYS 4 -24.690 -8.563 7.686 37 2HE LYS 4 HE1 LYS 4 -25.063 -6.913 7.188 38 1HZ LYS 4 HZ1 LYS 4 -24.633 -9.005 5.160 39 2HZ LYS 4 HZ2 LYS 4 -25.527 -7.575 5.044 40 3HZ LYS 4 HZ3 LYS 4 -26.130 -8.877 5.937 41 H GLN 5 HN GLN 5 -22.221 -3.610 2.560 42 HA GLN 5 HA GLN 5 -19.951 -4.712 1.165 43 1HB GLN 5 HB2 GLN 5 -21.455 -4.898 -0.488 44 2HB GLN 5 HB1 GLN 5 -22.626 -4.150 0.574 45 1HG GLN 5 HG2 GLN 5 -22.809 -2.752 -1.152 46 2HG GLN 5 HG1 GLN 5 -21.504 -1.938 -0.340 47 1HE2 GLN 5 HE21 GLN 5 -19.447 -3.606 -1.083 48 2HE2 GLN 5 HE22 GLN 5 -19.259 -3.494 -2.778 49 H ILE 6 HN ILE 6 -21.034 -1.667 2.353 50 HA ILE 6 HA ILE 6 -19.017 -0.258 0.839 51 HB ILE 6 HB ILE 6 -19.831 1.692 2.291 52 1HG1 ILE 6 HG12 ILE 6 -22.141 1.567 2.999 53 2HG1 ILE 6 HG11 ILE 6 -22.232 -0.108 2.540 54 1HG2 ILE 6 HG21 ILE 6 -21.642 2.097 0.656 55 2HG2 ILE 6 HG22 ILE 6 -21.452 0.424 0.125 56 3HG2 ILE 6 HG23 ILE 6 -20.118 1.565 -0.060 57 1HD1 ILE 6 HD11 ILE 6 -21.053 -0.793 4.359 58 2HD1 ILE 6 HD12 ILE 6 -21.815 0.645 5.025 59 3HD1 ILE 6 HD13 ILE 6 -20.140 0.705 4.473 60 H VAL 7 HN VAL 7 -19.584 -1.648 3.936 61 HA VAL 7 HA VAL 7 -17.485 -0.315 5.347 62 HB VAL 7 HB VAL 7 -19.641 -1.535 6.254 63 1HG1 VAL 7 HG11 VAL 7 -17.640 -3.784 6.357 64 2HG1 VAL 7 HG12 VAL 7 -19.041 -3.734 5.289 65 3HG1 VAL 7 HG13 VAL 7 -19.266 -3.782 7.036 66 1HG2 VAL 7 HG21 VAL 7 -17.130 -1.986 7.780 67 2HG2 VAL 7 HG22 VAL 7 -18.716 -1.475 8.358 68 3HG2 VAL 7 HG23 VAL 7 -17.713 -0.362 7.430 69 H TYR 8 HN TYR 8 -18.081 -3.271 3.631 70 HA TYR 8 HA TYR 8 -15.673 -4.673 4.060 71 1HB TYR 8 HB2 TYR 8 -17.972 -4.829 2.294 72 2HB TYR 8 HB1 TYR 8 -16.480 -5.168 1.427 73 HD1 TYR 8 HD1 TYR 8 -14.846 -6.415 3.441 74 HD2 TYR 8 HD2 TYR 8 -18.977 -6.908 2.656 75 HE1 TYR 8 HE1 TYR 8 -14.760 -8.539 4.458 76 HE2 TYR 8 HE2 TYR 8 -18.911 -9.093 3.668 77 HH TYR 8 HH TYR 8 -16.519 -10.145 5.649 78 H TRP 9 HN TRP 9 -16.846 -2.421 1.618 79 HA TRP 9 HA TRP 9 -14.529 -2.205 0.021 80 1HB TRP 9 HB2 TRP 9 -17.045 -0.740 0.447 81 2HB TRP 9 HB1 TRP 9 -15.695 0.305 0.003 82 HD1 TRP 9 HD1 TRP 9 -18.257 -1.754 -1.488 83 HE1 TRP 9 HE1 TRP 9 -17.676 -2.112 -4.005 84 HE3 TRP 9 HE3 TRP 9 -13.563 -0.164 -1.405 85 HZ2 TRP 9 HZ2 TRP 9 -15.488 -1.744 -5.699 86 HZ3 TRP 9 HZ3 TRP 9 -12.227 -0.155 -3.480 87 HH2 TRP 9 HH2 TRP 9 -13.202 -0.947 -5.588 88 H LYS 10 HN LYS 10 -15.918 -0.053 2.294 89 HA LYS 10 HA LYS 10 -13.909 1.753 2.731 90 1HB LYS 10 HB2 LYS 10 -16.066 2.145 3.650 91 2HB LYS 10 HB1 LYS 10 -16.016 0.654 4.578 92 1HG LYS 10 HG2 LYS 10 -13.834 2.054 5.486 93 2HG LYS 10 HG1 LYS 10 -15.061 3.294 5.251 94 1HD LYS 10 HD2 LYS 10 -16.401 2.469 6.894 95 2HD LYS 10 HD1 LYS 10 -15.922 0.797 6.585 96 1HE LYS 10 HE2 LYS 10 -15.005 1.268 8.679 97 2HE LYS 10 HE1 LYS 10 -13.653 1.471 7.566 98 1HZ LYS 10 HZ1 LYS 10 -15.278 3.599 8.838 99 2HZ LYS 10 HZ2 LYS 10 -14.198 3.897 7.570 100 3HZ LYS 10 HZ3 LYS 10 -13.626 3.298 9.045 101 H GLN 11 HN GLN 11 -14.449 -1.274 4.532 102 HA GLN 11 HA GLN 11 -12.054 -0.893 6.068 103 1HB GLN 11 HB2 GLN 11 -12.576 -2.906 7.152 104 2HB GLN 11 HB1 GLN 11 -14.136 -2.190 6.804 105 1HG GLN 11 HG2 GLN 11 -14.509 -3.691 5.000 106 2HG GLN 11 HG1 GLN 11 -12.852 -4.265 5.056 107 1HE2 GLN 11 HE21 GLN 11 -13.522 -4.037 8.241 108 2HE2 GLN 11 HE22 GLN 11 -14.194 -5.602 8.513 109 H TRP 12 HN TRP 12 -12.337 -1.480 2.978 110 HA TRP 12 HA TRP 12 -10.020 -3.299 2.836 111 1HB TRP 12 HB2 TRP 12 -12.199 -3.911 1.652 112 2HB TRP 12 HB1 TRP 12 -11.871 -2.624 0.558 113 HD1 TRP 12 HD1 TRP 12 -11.058 -6.120 1.191 114 HE1 TRP 12 HE1 TRP 12 -9.231 -6.886 -0.432 115 HE3 TRP 12 HE3 TRP 12 -9.876 -1.661 -0.576 116 HZ2 TRP 12 HZ2 TRP 12 -7.492 -5.679 -2.303 117 HZ3 TRP 12 HZ3 TRP 12 -8.110 -1.426 -2.325 118 HH2 TRP 12 HH2 TRP 12 -6.930 -3.448 -3.172 119 H LEU 13 HN LEU 13 -11.331 -0.183 1.715 120 HA LEU 13 HA LEU 13 -8.744 0.384 0.478 121 1HB LEU 13 HB2 LEU 13 -10.895 0.854 -0.745 122 2HB LEU 13 HB1 LEU 13 -11.242 2.083 0.456 123 HG LEU 13 HG LEU 13 -8.902 3.033 -0.266 124 1HD1 LEU 13 HD11 LEU 13 -9.738 1.599 -2.778 125 2HD1 LEU 13 HD12 LEU 13 -8.423 1.071 -1.726 126 3HD1 LEU 13 HD13 LEU 13 -8.325 2.628 -2.549 127 1HD2 LEU 13 HD21 LEU 13 -11.122 3.385 -2.241 128 2HD2 LEU 13 HD22 LEU 13 -10.005 4.584 -1.592 129 3HD2 LEU 13 HD23 LEU 13 -11.298 3.945 -0.578 130 H SER 14 HN SER 14 -10.353 0.817 3.406 131 HA SER 14 HA SER 14 -9.082 3.334 4.016 132 1HB SER 14 HB2 SER 14 -11.333 2.116 5.023 133 2HB SER 14 HB1 SER 14 -10.151 1.795 6.279 134 HG SER 14 HG SER 14 -10.892 4.321 5.228 135 H LEU 15 HN LEU 15 -8.804 -0.037 4.954 136 HA LEU 15 HA LEU 15 -6.448 0.452 6.500 137 1HB LEU 15 HB2 LEU 15 -7.703 -2.155 5.673 138 2HB LEU 15 HB1 LEU 15 -6.522 -1.908 6.941 139 HG LEU 15 HG LEU 15 -8.467 -2.083 8.162 140 1HD1 LEU 15 HD11 LEU 15 -8.409 0.855 7.492 141 2HD1 LEU 15 HD12 LEU 15 -7.347 0.070 8.665 142 3HD1 LEU 15 HD13 LEU 15 -9.087 0.121 8.948 143 1HD2 LEU 15 HD21 LEU 15 -10.368 -2.165 7.040 144 2HD2 LEU 15 HD22 LEU 15 -9.596 -1.388 5.649 145 3HD2 LEU 15 HD23 LEU 15 -10.345 -0.403 6.914 146 H ARG 16 HN ARG 16 -7.185 -1.558 3.688 147 HA ARG 16 HA ARG 16 -4.639 -2.309 3.017 148 1HB ARG 16 HB2 ARG 16 -7.004 -1.690 1.328 149 2HB ARG 16 HB1 ARG 16 -5.490 -2.075 0.554 150 1HG ARG 16 HG2 ARG 16 -7.127 -3.812 2.376 151 2HG ARG 16 HG1 ARG 16 -6.758 -4.072 0.671 152 1HD ARG 16 HD2 ARG 16 -4.307 -4.135 1.403 153 2HD ARG 16 HD1 ARG 16 -4.933 -4.302 3.043 154 HE ARG 16 HE ARG 16 -4.821 -6.324 1.044 155 1HH1 ARG 16 1HH1 ARG 16 -6.709 -5.195 3.756 156 2HH1 ARG 16 2HH1 ARG 16 -7.369 -6.757 4.104 157 1HH2 ARG 16 1HH2 ARG 16 -5.690 -8.377 1.503 158 2HH2 ARG 16 2HH2 ARG 16 -6.789 -8.563 2.830 159 H ASN 17 HN ASN 17 -6.106 0.755 2.613 160 HA ASN 17 HA ASN 17 -4.409 1.993 0.822 161 1HB ASN 17 HB2 ASN 17 -6.420 2.712 2.742 162 2HB ASN 17 HB1 ASN 17 -5.176 3.896 2.705 163 1HD2 ASN 17 HD21 ASN 17 -7.273 4.988 1.982 164 2HD2 ASN 17 HD22 ASN 17 -7.474 5.101 0.278 165 HA PRO 18 HA PRO 18 -1.753 3.856 4.359 166 1HB PRO 18 HB2 PRO 18 -2.147 2.637 6.823 167 2HB PRO 18 HB1 PRO 18 -2.692 4.254 6.367 168 1HG PRO 18 HG2 PRO 18 -4.168 1.674 6.307 169 2HG PRO 18 HG1 PRO 18 -4.739 3.284 6.778 170 1HD PRO 18 HD2 PRO 18 -5.368 2.294 4.408 171 2HD PRO 18 HD1 PRO 18 -4.909 3.995 4.565 172 H ILE 19 HN ILE 19 -2.801 0.608 4.239 173 HA ILE 19 HA ILE 19 -0.336 -0.552 5.182 174 HB ILE 19 HB ILE 19 -2.529 -1.862 3.585 175 1HG1 ILE 19 HG12 ILE 19 -2.031 -1.695 6.558 176 2HG1 ILE 19 HG11 ILE 19 -3.375 -0.989 5.685 177 1HG2 ILE 19 HG21 ILE 19 -0.058 -2.865 3.903 178 2HG2 ILE 19 HG22 ILE 19 -1.506 -3.866 3.829 179 3HG2 ILE 19 HG23 ILE 19 -0.808 -3.439 5.390 180 1HD1 ILE 19 HD11 ILE 19 -4.556 -2.845 5.903 181 2HD1 ILE 19 HD12 ILE 19 -3.266 -3.491 6.917 182 3HD1 ILE 19 HD13 ILE 19 -3.264 -3.804 5.181 183 H LEU 20 HN LEU 20 -1.599 0.370 2.110 184 HA LEU 20 HA LEU 20 0.406 -0.936 0.570 185 1HB LEU 20 HB2 LEU 20 -1.335 1.416 -0.207 186 2HB LEU 20 HB1 LEU 20 -0.372 0.452 -1.309 187 HG LEU 20 HG LEU 20 -3.024 -0.066 -0.177 188 1HD1 LEU 20 HD11 LEU 20 -1.532 -1.011 -2.616 189 2HD1 LEU 20 HD12 LEU 20 -2.723 0.288 -2.533 190 3HD1 LEU 20 HD13 LEU 20 -3.220 -1.383 -2.264 191 1HD2 LEU 20 HD21 LEU 20 -1.764 -1.735 1.076 192 2HD2 LEU 20 HD22 LEU 20 -1.047 -2.330 -0.423 193 3HD2 LEU 20 HD23 LEU 20 -2.782 -2.495 -0.148 194 H VAL 21 HN VAL 21 -0.178 2.269 1.801 195 HA VAL 21 HA VAL 21 2.023 3.659 0.872 196 HB VAL 21 HB VAL 21 0.329 3.614 3.298 197 1HG1 VAL 21 HG11 VAL 21 2.630 5.502 2.975 198 2HG1 VAL 21 HG12 VAL 21 2.637 4.057 3.991 199 3HG1 VAL 21 HG13 VAL 21 1.518 5.382 4.342 200 1HG2 VAL 21 HG21 VAL 21 -0.534 4.608 1.269 201 2HG2 VAL 21 HG22 VAL 21 0.833 5.725 1.206 202 3HG2 VAL 21 HG23 VAL 21 -0.339 5.838 2.522 203 H PHE 22 HN PHE 22 1.421 1.872 3.812 204 HA PHE 22 HA PHE 22 3.869 1.990 5.083 205 1HB PHE 22 HB2 PHE 22 2.362 1.070 6.479 206 2HB PHE 22 HB1 PHE 22 1.399 0.454 5.161 207 HD1 PHE 22 HD1 PHE 22 1.252 -1.691 4.823 208 HD2 PHE 22 HD2 PHE 22 4.592 -0.111 6.821 209 HE1 PHE 22 HE1 PHE 22 2.080 -3.980 5.178 210 HE2 PHE 22 HE2 PHE 22 5.462 -2.371 7.217 211 HZ PHE 22 HZ PHE 22 4.206 -4.328 6.375 212 H LEU 23 HN LEU 23 2.763 0.081 2.375 213 HA LEU 23 HA LEU 23 5.214 -1.559 2.612 214 1HB LEU 23 HB2 LEU 23 4.065 -3.193 1.615 215 2HB LEU 23 HB1 LEU 23 2.642 -2.166 1.754 216 HG LEU 23 HG LEU 23 4.320 -1.669 -0.603 217 1HD1 LEU 23 HD11 LEU 23 2.720 -4.206 -0.285 218 2HD1 LEU 23 HD12 LEU 23 4.451 -4.085 -0.601 219 3HD1 LEU 23 HD13 LEU 23 3.292 -3.569 -1.826 220 1HD2 LEU 23 HD21 LEU 23 1.969 -0.892 0.362 221 2HD2 LEU 23 HD22 LEU 23 1.449 -2.180 -0.739 222 3HD2 LEU 23 HD23 LEU 23 2.401 -0.823 -1.353 223 H LYS 24 HN LYS 24 3.969 1.139 0.998 224 HA LYS 24 HA LYS 24 5.635 1.176 -1.266 225 1HB LYS 24 HB2 LYS 24 3.485 2.652 -0.090 226 2HB LYS 24 HB1 LYS 24 4.726 3.765 -0.565 227 1HG LYS 24 HG2 LYS 24 3.853 3.645 -2.607 228 2HG LYS 24 HG1 LYS 24 4.492 2.001 -2.672 229 1HD LYS 24 HD2 LYS 24 2.311 1.508 -3.062 230 2HD LYS 24 HD1 LYS 24 2.294 1.501 -1.293 231 1HE LYS 24 HE2 LYS 24 0.842 3.184 -1.249 232 2HE LYS 24 HE1 LYS 24 1.887 4.171 -2.269 233 1HZ LYS 24 HZ1 LYS 24 -0.055 3.972 -3.489 234 2HZ LYS 24 HZ2 LYS 24 -0.287 2.348 -3.077 235 3HZ LYS 24 HZ3 LYS 24 0.930 2.776 -4.170 236 H THR 25 HN THR 25 5.610 2.587 1.914 237 HA THR 25 HA THR 25 7.939 4.138 1.647 238 HB THR 25 HB THR 25 6.375 4.738 3.352 239 HG1 THR 25 HG1 THR 25 8.085 5.262 4.434 240 1HG2 THR 25 HG21 THR 25 5.649 2.235 3.644 241 2HG2 THR 25 HG22 THR 25 5.459 3.405 4.950 242 3HG2 THR 25 HG23 THR 25 6.822 2.287 4.960 243 H ARG 26 HN ARG 26 7.257 0.918 3.032 244 HA ARG 26 HA ARG 26 9.848 0.366 3.952 245 1HB ARG 26 HB2 ARG 26 7.663 -1.376 2.844 246 2HB ARG 26 HB1 ARG 26 9.144 -2.049 3.518 247 1HG ARG 26 HG2 ARG 26 6.929 -0.596 4.908 248 2HG ARG 26 HG1 ARG 26 7.594 -2.184 5.253 249 1HD ARG 26 HD2 ARG 26 9.495 0.040 5.490 250 2HD ARG 26 HD1 ARG 26 8.162 0.081 6.633 251 HE ARG 26 HE ARG 26 9.025 -1.776 7.680 252 1HH1 ARG 26 1HH1 ARG 26 10.692 -1.279 4.653 253 2HH1 ARG 26 2HH1 ARG 26 11.928 -2.441 5.001 254 1HH2 ARG 26 1HH2 ARG 26 10.649 -3.303 8.136 255 2HH2 ARG 26 2HH2 ARG 26 11.903 -3.591 6.975 256 H VAL 27 HN VAL 27 8.335 0.034 0.847 257 HA VAL 27 HA VAL 27 10.486 -1.213 -0.540 258 HB VAL 27 HB VAL 27 7.824 -0.070 -1.114 259 1HG1 VAL 27 HG11 VAL 27 9.969 -0.257 -3.190 260 2HG1 VAL 27 HG12 VAL 27 8.932 1.109 -2.785 261 3HG1 VAL 27 HG13 VAL 27 8.250 -0.307 -3.585 262 1HG2 VAL 27 HG21 VAL 27 8.168 -2.450 -0.649 263 2HG2 VAL 27 HG22 VAL 27 9.216 -2.570 -2.063 264 3HG2 VAL 27 HG23 VAL 27 7.506 -2.187 -2.262 265 H LEU 28 HN LEU 28 9.653 1.967 0.386 266 HA LEU 28 HA LEU 28 11.108 3.384 -1.595 267 1HB LEU 28 HB2 LEU 28 9.873 5.105 -0.868 268 2HB LEU 28 HB1 LEU 28 8.985 3.926 0.027 269 HG LEU 28 HG LEU 28 10.319 4.381 2.007 270 1HD1 LEU 28 HD11 LEU 28 11.977 5.813 0.116 271 2HD1 LEU 28 HD12 LEU 28 12.342 5.261 1.751 272 3HD1 LEU 28 HD13 LEU 28 11.545 6.815 1.503 273 1HD2 LEU 28 HD21 LEU 28 9.607 7.116 1.552 274 2HD2 LEU 28 HD22 LEU 28 8.790 5.901 2.532 275 3HD2 LEU 28 HD23 LEU 28 8.401 6.059 0.820 276 H LYS 29 HN LYS 29 11.293 2.764 1.816 277 HA LYS 29 HA LYS 29 13.837 3.927 2.179 278 1HB LYS 29 HB2 LYS 29 13.793 3.106 4.418 279 2HB LYS 29 HB1 LYS 29 12.163 3.620 4.022 280 1HG LYS 29 HG2 LYS 29 11.728 1.655 5.074 281 2HG LYS 29 HG1 LYS 29 11.852 1.082 3.418 282 1HD LYS 29 HD2 LYS 29 13.118 -0.417 4.749 283 2HD LYS 29 HD1 LYS 29 14.287 0.592 3.900 284 1HE LYS 29 HE2 LYS 29 13.867 2.027 6.178 285 2HE LYS 29 HE1 LYS 29 13.709 0.372 6.765 286 1HZ LYS 29 HZ1 LYS 29 15.941 0.617 6.943 287 2HZ LYS 29 HZ2 LYS 29 16.049 1.749 5.691 288 3HZ LYS 29 HZ3 LYS 29 15.894 0.104 5.330 289 H ARG 30 HN ARG 30 12.694 0.993 1.027 290 HA ARG 30 HA ARG 30 15.120 -0.477 1.366 291 1HB ARG 30 HB2 ARG 30 12.436 -0.903 0.194 292 2HB ARG 30 HB1 ARG 30 13.717 -1.949 -0.345 293 1HG ARG 30 HG2 ARG 30 13.695 -1.680 2.514 294 2HG ARG 30 HG1 ARG 30 12.130 -2.201 1.909 295 1HD ARG 30 HD2 ARG 30 12.947 -4.187 1.084 296 2HD ARG 30 HD1 ARG 30 14.574 -3.543 0.864 297 HE ARG 30 HE ARG 30 15.086 -4.259 2.967 298 1HH1 ARG 30 1HH1 ARG 30 11.612 -4.071 2.686 299 2HH1 ARG 30 2HH1 ARG 30 11.324 -4.775 4.241 300 1HH2 ARG 30 1HH2 ARG 30 14.707 -5.189 5.011 301 2HH2 ARG 30 2HH2 ARG 30 13.078 -5.410 5.560 302 H TRP 31 HN TRP 31 13.456 1.496 -0.900 303 HA TRP 31 HA TRP 31 14.966 1.011 -3.208 304 1HB TRP 31 HB2 TRP 31 12.659 2.383 -2.401 305 2HB TRP 31 HB1 TRP 31 13.706 3.550 -3.104 306 HD1 TRP 31 HD1 TRP 31 11.665 0.656 -3.924 307 HE1 TRP 31 HE1 TRP 31 11.647 0.314 -6.467 308 HE3 TRP 31 HE3 TRP 31 15.169 3.862 -4.903 309 HZ2 TRP 31 HZ2 TRP 31 13.071 1.393 -8.670 310 HZ3 TRP 31 HZ3 TRP 31 15.922 4.274 -7.269 311 HH2 TRP 31 HH2 TRP 31 14.874 3.037 -9.122 312 H ARG 32 HN ARG 32 14.836 3.364 -0.523 313 HA ARG 32 HA ARG 32 16.897 5.089 -1.345 314 1HB ARG 32 HB2 ARG 32 15.932 4.111 1.307 315 2HB ARG 32 HB1 ARG 32 17.041 5.477 1.132 316 1HG ARG 32 HG2 ARG 32 15.358 6.668 -0.151 317 2HG ARG 32 HG1 ARG 32 14.264 5.310 -0.014 318 1HD ARG 32 HD2 ARG 32 13.724 7.052 1.599 319 2HD ARG 32 HD1 ARG 32 14.202 5.545 2.374 320 HE ARG 32 HE ARG 32 16.465 7.172 2.127 321 1HH1 ARG 32 1HH1 ARG 32 13.442 7.081 3.870 322 2HH1 ARG 32 2HH1 ARG 32 14.056 7.955 5.232 323 1HH2 ARG 32 1HH2 ARG 32 17.275 8.323 3.919 324 2HH2 ARG 32 2HH2 ARG 32 16.232 8.662 5.260 325 H LEU 33 HN LEU 33 16.798 2.315 0.727 326 HA LEU 33 HA LEU 33 19.428 1.928 1.408 327 1HB LEU 33 HB2 LEU 33 16.892 0.409 1.188 328 2HB LEU 33 HB1 LEU 33 18.326 -0.469 1.538 329 HG LEU 33 HG LEU 33 16.651 0.749 3.306 330 1HD1 LEU 33 HD11 LEU 33 19.520 0.032 3.866 331 2HD1 LEU 33 HD12 LEU 33 18.215 -1.145 3.724 332 3HD1 LEU 33 HD13 LEU 33 18.185 0.053 5.018 333 1HD2 LEU 33 HD21 LEU 33 17.768 2.872 2.496 334 2HD2 LEU 33 HD22 LEU 33 19.179 2.327 3.404 335 3HD2 LEU 33 HD23 LEU 33 17.653 2.625 4.241 336 H PHE 34 HN PHE 34 17.457 0.793 -1.147 337 HA PHE 34 HA PHE 34 19.367 -0.958 -2.319 338 1HB PHE 34 HB2 PHE 34 16.680 -0.080 -2.847 339 2HB PHE 34 HB1 PHE 34 17.581 -0.393 -4.300 340 HD1 PHE 34 HD1 PHE 34 16.574 -2.381 -5.016 341 HD2 PHE 34 HD2 PHE 34 18.016 -1.917 -1.069 342 HE1 PHE 34 HE1 PHE 34 16.294 -4.781 -4.653 343 HE2 PHE 34 HE2 PHE 34 17.751 -4.317 -0.675 344 HZ PHE 34 HZ PHE 34 16.880 -5.783 -2.468 345 H SER 35 HN SER 35 18.646 2.283 -2.308 346 HA SER 35 HA SER 35 20.252 2.838 -4.734 347 1HB SER 35 HB2 SER 35 18.065 4.200 -3.676 348 2HB SER 35 HB1 SER 35 19.443 5.237 -3.315 349 HG SER 35 HG SER 35 19.764 5.562 -5.392 350 H LYS 36 HN LYS 36 20.522 2.964 -1.255 351 HA LYS 36 HA LYS 36 22.955 4.548 -1.414 352 1HB LYS 36 HB2 LYS 36 21.869 3.210 1.053 353 2HB LYS 36 HB1 LYS 36 22.984 4.563 0.964 354 1HG LYS 36 HG2 LYS 36 20.512 5.147 -0.384 355 2HG LYS 36 HG1 LYS 36 20.240 4.666 1.289 356 1HD LYS 36 HD2 LYS 36 20.531 7.026 1.290 357 2HD LYS 36 HD1 LYS 36 22.027 6.336 1.923 358 1HE LYS 36 HE2 LYS 36 23.212 7.266 0.288 359 2HE LYS 36 HE1 LYS 36 22.170 6.540 -0.936 360 1HZ LYS 36 HZ1 LYS 36 21.866 9.165 0.398 361 2HZ LYS 36 HZ2 LYS 36 20.588 8.430 -0.432 362 3HZ LYS 36 HZ3 LYS 36 22.008 8.839 -1.256 363 H HIS 37 HN HIS 37 21.957 1.317 -0.637 364 HA HIS 37 HA HIS 37 24.600 0.344 -0.142 365 1HB HIS 37 HB2 HIS 37 21.915 -0.661 0.053 366 2HB HIS 37 HB1 HIS 37 22.928 -1.829 -0.771 367 HD1 HIS 37 HD1 HIS 37 23.797 -3.477 0.856 368 HD2 HIS 37 HD2 HIS 37 23.539 0.335 2.487 369 HE1 HIS 37 HE1 HIS 37 24.659 -3.694 3.210 370 HE2 HIS 37 HE2 HIS 37 24.445 -1.385 4.196 371 H GLU 38 HN GLU 38 22.458 0.404 -2.940 372 HA GLU 38 HA GLU 38 22.696 -0.333 -5.078 373 1HB GLU 38 HB2 GLU 38 24.869 0.380 -6.126 374 2HB GLU 38 HB1 GLU 38 24.009 1.643 -5.258 375 1HG GLU 38 HG2 GLU 38 25.506 1.417 -3.376 376 2HG GLU 38 HG1 GLU 38 26.330 0.071 -4.162 Start of MODEL 15 1 1H VAL 1 HT1 VAL 1 -26.835 0.382 -0.154 2 2H VAL 1 HT2 VAL 1 -27.267 -0.155 -1.725 3 3H VAL 1 HT3 VAL 1 -26.199 1.175 -1.533 4 HA VAL 1 HA VAL 1 -25.421 -1.279 -2.027 5 HB VAL 1 HB VAL 1 -23.220 -0.627 -1.148 6 1HG1 VAL 1 HG11 VAL 1 -22.862 1.167 -2.610 7 2HG1 VAL 1 HG12 VAL 1 -24.484 1.810 -2.359 8 3HG1 VAL 1 HG13 VAL 1 -24.257 0.324 -3.281 9 1HG2 VAL 1 HG21 VAL 1 -23.408 1.915 -0.221 10 2HG2 VAL 1 HG22 VAL 1 -23.294 0.486 0.807 11 3HG2 VAL 1 HG23 VAL 1 -24.870 1.199 0.459 12 H MET 2 HN MET 2 -24.515 -3.054 -0.946 13 HA MET 2 HA MET 2 -25.835 -3.846 1.392 14 1HB MET 2 HB2 MET 2 -23.866 -4.947 -0.477 15 2HB MET 2 HB1 MET 2 -23.730 -5.561 1.154 16 1HG MET 2 HG2 MET 2 -26.234 -6.009 1.012 17 2HG MET 2 HG1 MET 2 -26.046 -5.734 -0.719 18 1HE MET 2 HE1 MET 2 -23.937 -7.679 -2.153 19 2HE MET 2 HE2 MET 2 -25.619 -7.158 -2.246 20 3HE MET 2 HE3 MET 2 -25.234 -8.874 -2.120 21 HA PRO 3 HA PRO 3 -23.482 -1.605 4.489 22 1HB PRO 3 HB2 PRO 3 -24.041 -3.642 6.385 23 2HB PRO 3 HB1 PRO 3 -24.858 -2.098 6.198 24 1HG PRO 3 HG2 PRO 3 -25.631 -4.775 5.215 25 2HG PRO 3 HG1 PRO 3 -26.660 -3.400 5.660 26 1HD PRO 3 HD2 PRO 3 -26.289 -4.102 3.109 27 2HD PRO 3 HD1 PRO 3 -26.412 -2.393 3.583 28 H LYS 4 HN LYS 4 -23.111 -4.942 3.751 29 HA LYS 4 HA LYS 4 -20.546 -5.125 5.139 30 1HB LYS 4 HB2 LYS 4 -22.306 -6.940 5.248 31 2HB LYS 4 HB1 LYS 4 -21.962 -7.257 3.551 32 1HG LYS 4 HG2 LYS 4 -20.164 -8.461 4.052 33 2HG LYS 4 HG1 LYS 4 -19.541 -7.211 5.131 34 1HD LYS 4 HD2 LYS 4 -21.527 -8.161 6.659 35 2HD LYS 4 HD1 LYS 4 -21.154 -9.617 5.735 36 1HE LYS 4 HE2 LYS 4 -19.525 -9.979 7.214 37 2HE LYS 4 HE1 LYS 4 -18.669 -8.644 6.443 38 1HZ LYS 4 HZ1 LYS 4 -20.266 -7.328 8.127 39 2HZ LYS 4 HZ2 LYS 4 -18.691 -7.810 8.512 40 3HZ LYS 4 HZ3 LYS 4 -20.007 -8.748 9.011 41 H GLN 5 HN GLN 5 -21.758 -4.583 1.973 42 HA GLN 5 HA GLN 5 -19.331 -5.500 0.718 43 1HB GLN 5 HB2 GLN 5 -20.755 -5.846 -0.986 44 2HB GLN 5 HB1 GLN 5 -22.020 -5.081 -0.049 45 1HG GLN 5 HG2 GLN 5 -22.031 -3.863 -1.965 46 2HG GLN 5 HG1 GLN 5 -21.050 -2.870 -0.920 47 1HE2 GLN 5 HE21 GLN 5 -18.725 -4.617 -1.283 48 2HE2 GLN 5 HE22 GLN 5 -18.204 -4.336 -2.883 49 H ILE 6 HN ILE 6 -20.756 -2.546 1.808 50 HA ILE 6 HA ILE 6 -18.790 -0.960 0.420 51 HB ILE 6 HB ILE 6 -19.820 0.896 1.864 52 1HG1 ILE 6 HG12 ILE 6 -22.132 0.576 2.485 53 2HG1 ILE 6 HG11 ILE 6 -22.077 -1.094 1.994 54 1HG2 ILE 6 HG21 ILE 6 -21.432 1.317 0.146 55 2HG2 ILE 6 HG22 ILE 6 -21.438 -0.392 -0.296 56 3HG2 ILE 6 HG23 ILE 6 -19.990 0.583 -0.559 57 1HD1 ILE 6 HD11 ILE 6 -20.891 -1.717 3.834 58 2HD1 ILE 6 HD12 ILE 6 -21.816 -0.379 4.503 59 3HD1 ILE 6 HD13 ILE 6 -20.133 -0.142 4.021 60 H VAL 7 HN VAL 7 -19.357 -2.431 3.489 61 HA VAL 7 HA VAL 7 -17.427 -0.948 4.992 62 HB VAL 7 HB VAL 7 -19.499 -2.384 5.794 63 1HG1 VAL 7 HG11 VAL 7 -18.909 -4.590 6.600 64 2HG1 VAL 7 HG12 VAL 7 -17.286 -4.426 5.929 65 3HG1 VAL 7 HG13 VAL 7 -18.680 -4.506 4.853 66 1HG2 VAL 7 HG21 VAL 7 -17.037 -2.622 7.438 67 2HG2 VAL 7 HG22 VAL 7 -18.685 -2.230 7.930 68 3HG2 VAL 7 HG23 VAL 7 -17.721 -1.046 7.053 69 H TYR 8 HN TYR 8 -17.707 -3.911 3.222 70 HA TYR 8 HA TYR 8 -15.184 -5.102 3.682 71 1HB TYR 8 HB2 TYR 8 -17.422 -5.691 2.149 72 2HB TYR 8 HB1 TYR 8 -16.176 -5.369 0.950 73 HD1 TYR 8 HD1 TYR 8 -15.430 -7.427 0.165 74 HD2 TYR 8 HD2 TYR 8 -15.987 -6.856 4.325 75 HE1 TYR 8 HE1 TYR 8 -14.410 -9.567 0.593 76 HE2 TYR 8 HE2 TYR 8 -14.982 -8.943 4.770 77 HH TYR 8 HH TYR 8 -13.370 -10.545 3.658 78 H TRP 9 HN TRP 9 -16.516 -2.951 1.232 79 HA TRP 9 HA TRP 9 -14.217 -2.469 -0.315 80 1HB TRP 9 HB2 TRP 9 -16.838 -1.200 0.157 81 2HB TRP 9 HB1 TRP 9 -15.562 -0.065 -0.288 82 HD1 TRP 9 HD1 TRP 9 -18.035 -2.198 -1.803 83 HE1 TRP 9 HE1 TRP 9 -17.439 -2.515 -4.320 84 HE3 TRP 9 HE3 TRP 9 -13.389 -0.465 -1.701 85 HZ2 TRP 9 HZ2 TRP 9 -15.262 -2.068 -6.011 86 HZ3 TRP 9 HZ3 TRP 9 -12.054 -0.400 -3.772 87 HH2 TRP 9 HH2 TRP 9 -13.003 -1.204 -5.891 88 H LYS 10 HN LYS 10 -15.778 -0.488 2.002 89 HA LYS 10 HA LYS 10 -13.904 1.446 2.503 90 1HB LYS 10 HB2 LYS 10 -16.130 1.627 3.365 91 2HB LYS 10 HB1 LYS 10 -15.937 0.168 4.324 92 1HG LYS 10 HG2 LYS 10 -13.917 1.751 5.241 93 2HG LYS 10 HG1 LYS 10 -15.204 2.911 4.919 94 1HD LYS 10 HD2 LYS 10 -16.639 1.939 6.453 95 2HD LYS 10 HD1 LYS 10 -15.809 0.382 6.388 96 1HE LYS 10 HE2 LYS 10 -14.185 1.029 7.861 97 2HE LYS 10 HE1 LYS 10 -14.297 2.729 7.407 98 1HZ LYS 10 HZ1 LYS 10 -16.713 2.251 8.508 99 2HZ LYS 10 HZ2 LYS 10 -15.398 2.939 9.321 100 3HZ LYS 10 HZ3 LYS 10 -15.704 1.282 9.459 101 H GLN 11 HN GLN 11 -14.311 -1.611 4.279 102 HA GLN 11 HA GLN 11 -11.980 -1.139 5.874 103 1HB GLN 11 HB2 GLN 11 -12.389 -3.188 6.901 104 2HB GLN 11 HB1 GLN 11 -13.991 -2.628 6.485 105 1HG GLN 11 HG2 GLN 11 -14.263 -4.215 4.838 106 2HG GLN 11 HG1 GLN 11 -12.534 -4.443 4.612 107 1HE2 GLN 11 HE21 GLN 11 -12.679 -4.511 7.856 108 2HE2 GLN 11 HE22 GLN 11 -13.010 -6.182 8.108 109 H TRP 12 HN TRP 12 -12.130 -1.625 2.755 110 HA TRP 12 HA TRP 12 -9.686 -3.256 2.631 111 1HB TRP 12 HB2 TRP 12 -11.789 -3.960 1.352 112 2HB TRP 12 HB1 TRP 12 -11.488 -2.630 0.302 113 HD1 TRP 12 HD1 TRP 12 -10.525 -6.094 0.883 114 HE1 TRP 12 HE1 TRP 12 -8.582 -6.722 -0.665 115 HE3 TRP 12 HE3 TRP 12 -9.485 -1.531 -0.699 116 HZ2 TRP 12 HZ2 TRP 12 -6.814 -5.376 -2.409 117 HZ3 TRP 12 HZ3 TRP 12 -7.641 -1.160 -2.348 118 HH2 TRP 12 HH2 TRP 12 -6.320 -3.097 -3.186 119 H LEU 13 HN LEU 13 -11.197 -0.192 1.612 120 HA LEU 13 HA LEU 13 -8.647 0.651 0.466 121 1HB LEU 13 HB2 LEU 13 -11.371 1.961 0.454 122 2HB LEU 13 HB1 LEU 13 -9.935 2.651 -0.279 123 HG LEU 13 HG LEU 13 -11.107 -0.001 -1.103 124 1HD1 LEU 13 HD11 LEU 13 -12.798 1.428 -1.738 125 2HD1 LEU 13 HD12 LEU 13 -11.755 1.460 -3.160 126 3HD1 LEU 13 HD13 LEU 13 -11.701 2.784 -1.996 127 1HD2 LEU 13 HD21 LEU 13 -9.079 1.829 -2.384 128 2HD2 LEU 13 HD22 LEU 13 -9.726 0.355 -3.105 129 3HD2 LEU 13 HD23 LEU 13 -8.756 0.265 -1.635 130 H SER 14 HN SER 14 -10.335 0.786 3.374 131 HA SER 14 HA SER 14 -9.283 3.356 4.153 132 1HB SER 14 HB2 SER 14 -11.452 1.943 5.032 133 2HB SER 14 HB1 SER 14 -10.276 1.579 6.286 134 HG SER 14 HG SER 14 -11.058 4.165 5.415 135 H LEU 15 HN LEU 15 -8.771 -0.023 4.937 136 HA LEU 15 HA LEU 15 -6.473 0.550 6.540 137 1HB LEU 15 HB2 LEU 15 -7.521 -2.096 5.561 138 2HB LEU 15 HB1 LEU 15 -6.386 -1.827 6.866 139 HG LEU 15 HG LEU 15 -8.338 -2.208 8.032 140 1HD1 LEU 15 HD11 LEU 15 -7.380 -0.020 8.679 141 2HD1 LEU 15 HD12 LEU 15 -9.128 -0.094 8.915 142 3HD1 LEU 15 HD13 LEU 15 -8.461 0.761 7.522 143 1HD2 LEU 15 HD21 LEU 15 -10.213 -2.356 6.870 144 2HD2 LEU 15 HD22 LEU 15 -9.472 -1.458 5.535 145 3HD2 LEU 15 HD23 LEU 15 -10.308 -0.593 6.833 146 H ARG 16 HN ARG 16 -7.031 -1.345 3.611 147 HA ARG 16 HA ARG 16 -4.430 -1.870 2.943 148 1HB ARG 16 HB2 ARG 16 -6.811 -1.357 1.244 149 2HB ARG 16 HB1 ARG 16 -5.262 -1.618 0.491 150 1HG ARG 16 HG2 ARG 16 -6.776 -3.514 2.265 151 2HG ARG 16 HG1 ARG 16 -6.450 -3.690 0.540 152 1HD ARG 16 HD2 ARG 16 -4.065 -3.876 0.996 153 2HD ARG 16 HD1 ARG 16 -4.366 -3.647 2.717 154 HE ARG 16 HE ARG 16 -5.045 -6.020 1.137 155 1HH1 ARG 16 1HH1 ARG 16 -4.827 -4.433 4.247 156 2HH1 ARG 16 2HH1 ARG 16 -5.011 -5.903 5.142 157 1HH2 ARG 16 1HH2 ARG 16 -5.289 -7.944 2.322 158 2HH2 ARG 16 2HH2 ARG 16 -5.274 -7.892 4.053 159 H ASN 17 HN ASN 17 -6.100 1.103 2.742 160 HA ASN 17 HA ASN 17 -4.530 2.543 0.988 161 1HB ASN 17 HB2 ASN 17 -6.592 3.033 2.905 162 2HB ASN 17 HB1 ASN 17 -5.437 4.306 2.943 163 1HD2 ASN 17 HD21 ASN 17 -7.594 5.276 2.234 164 2HD2 ASN 17 HD22 ASN 17 -7.781 5.452 0.535 165 HA PRO 18 HA PRO 18 -1.834 4.503 4.372 166 1HB PRO 18 HB2 PRO 18 -2.185 3.575 6.944 167 2HB PRO 18 HB1 PRO 18 -2.816 5.099 6.314 168 1HG PRO 18 HG2 PRO 18 -4.154 2.446 6.507 169 2HG PRO 18 HG1 PRO 18 -4.793 4.051 6.906 170 1HD PRO 18 HD2 PRO 18 -5.450 2.930 4.617 171 2HD PRO 18 HD1 PRO 18 -5.005 4.643 4.654 172 H ILE 19 HN ILE 19 -2.842 1.269 4.409 173 HA ILE 19 HA ILE 19 -0.443 0.215 5.557 174 HB ILE 19 HB ILE 19 -2.652 -1.157 4.063 175 1HG1 ILE 19 HG12 ILE 19 -1.991 -0.779 6.971 176 2HG1 ILE 19 HG11 ILE 19 -3.452 -0.304 6.135 177 1HG2 ILE 19 HG21 ILE 19 -1.720 -3.262 4.887 178 2HG2 ILE 19 HG22 ILE 19 -0.361 -2.386 5.589 179 3HG2 ILE 19 HG23 ILE 19 -0.575 -2.426 3.840 180 1HD1 ILE 19 HD11 ILE 19 -4.179 -2.563 5.957 181 2HD1 ILE 19 HD12 ILE 19 -3.705 -2.273 7.630 182 3HD1 ILE 19 HD13 ILE 19 -2.631 -3.164 6.551 183 H LEU 20 HN LEU 20 -1.557 0.807 2.318 184 HA LEU 20 HA LEU 20 0.538 -0.623 1.017 185 1HB LEU 20 HB2 LEU 20 -0.165 0.361 -1.009 186 2HB LEU 20 HB1 LEU 20 -1.613 0.013 -0.094 187 HG LEU 20 HG LEU 20 -0.825 2.684 0.488 188 1HD1 LEU 20 HD11 LEU 20 -1.372 3.417 -1.985 189 2HD1 LEU 20 HD12 LEU 20 -0.596 1.880 -2.362 190 3HD1 LEU 20 HD13 LEU 20 0.283 3.114 -1.461 191 1HD2 LEU 20 HD21 LEU 20 -3.114 1.732 -1.189 192 2HD2 LEU 20 HD22 LEU 20 -3.030 3.164 -0.160 193 3HD2 LEU 20 HD23 LEU 20 -3.044 1.553 0.563 194 H VAL 21 HN VAL 21 -0.068 2.578 2.149 195 HA VAL 21 HA VAL 21 2.138 3.973 1.245 196 HB VAL 21 HB VAL 21 0.389 3.974 3.636 197 1HG1 VAL 21 HG11 VAL 21 2.604 5.952 3.329 198 2HG1 VAL 21 HG12 VAL 21 2.781 4.448 4.239 199 3HG1 VAL 21 HG13 VAL 21 1.576 5.647 4.733 200 1HG2 VAL 21 HG21 VAL 21 -0.424 4.912 1.559 201 2HG2 VAL 21 HG22 VAL 21 0.945 6.031 1.506 202 3HG2 VAL 21 HG23 VAL 21 -0.261 6.170 2.789 203 H PHE 22 HN PHE 22 1.490 2.168 4.183 204 HA PHE 22 HA PHE 22 3.936 2.309 5.486 205 1HB PHE 22 HB2 PHE 22 2.438 1.366 6.870 206 2HB PHE 22 HB1 PHE 22 1.478 0.760 5.542 207 HD1 PHE 22 HD1 PHE 22 1.307 -1.388 5.224 208 HD2 PHE 22 HD2 PHE 22 4.690 0.181 7.164 209 HE1 PHE 22 HE1 PHE 22 2.135 -3.679 5.566 210 HE2 PHE 22 HE2 PHE 22 5.559 -2.081 7.542 211 HZ PHE 22 HZ PHE 22 4.281 -4.034 6.724 212 H LEU 23 HN LEU 23 2.817 0.434 2.816 213 HA LEU 23 HA LEU 23 5.187 -1.327 2.881 214 1HB LEU 23 HB2 LEU 23 2.960 -1.053 0.878 215 2HB LEU 23 HB1 LEU 23 4.355 -2.075 0.603 216 HG LEU 23 HG LEU 23 3.517 -2.986 3.027 217 1HD1 LEU 23 HD11 LEU 23 0.927 -2.930 1.716 218 2HD1 LEU 23 HD12 LEU 23 1.507 -1.329 2.193 219 3HD1 LEU 23 HD13 LEU 23 1.358 -2.613 3.400 220 1HD2 LEU 23 HD21 LEU 23 3.510 -3.854 0.288 221 2HD2 LEU 23 HD22 LEU 23 2.067 -4.451 1.109 222 3HD2 LEU 23 HD23 LEU 23 3.667 -4.813 1.760 223 H LYS 24 HN LYS 24 3.970 1.431 1.258 224 HA LYS 24 HA LYS 24 5.807 1.629 -0.830 225 1HB LYS 24 HB2 LYS 24 3.622 3.058 0.266 226 2HB LYS 24 HB1 LYS 24 4.903 4.198 -0.006 227 1HG LYS 24 HG2 LYS 24 4.217 4.249 -2.117 228 2HG LYS 24 HG1 LYS 24 4.864 2.613 -2.255 229 1HD LYS 24 HD2 LYS 24 2.540 2.012 -1.141 230 2HD LYS 24 HD1 LYS 24 2.065 3.515 -1.947 231 1HE LYS 24 HE2 LYS 24 2.625 2.674 -4.077 232 2HE LYS 24 HE1 LYS 24 3.531 1.326 -3.393 233 1HZ LYS 24 HZ1 LYS 24 0.683 1.600 -3.846 234 2HZ LYS 24 HZ2 LYS 24 1.110 0.880 -2.377 235 3HZ LYS 24 HZ3 LYS 24 1.650 0.212 -3.833 236 H THR 25 HN THR 25 5.718 2.927 2.390 237 HA THR 25 HA THR 25 8.103 4.407 2.260 238 HB THR 25 HB THR 25 6.607 4.977 4.004 239 HG1 THR 25 HG1 THR 25 7.970 4.994 5.635 240 1HG2 THR 25 HG21 THR 25 5.645 2.512 3.998 241 2HG2 THR 25 HG22 THR 25 5.446 3.599 5.374 242 3HG2 THR 25 HG23 THR 25 6.711 2.371 5.399 243 H ARG 26 HN ARG 26 7.270 1.146 3.379 244 HA ARG 26 HA ARG 26 9.847 0.395 4.255 245 1HB ARG 26 HB2 ARG 26 7.509 -1.139 3.148 246 2HB ARG 26 HB1 ARG 26 8.962 -1.944 3.731 247 1HG ARG 26 HG2 ARG 26 6.927 -0.395 5.283 248 2HG ARG 26 HG1 ARG 26 7.473 -2.047 5.522 249 1HD ARG 26 HD2 ARG 26 9.704 -1.138 6.146 250 2HD ARG 26 HD1 ARG 26 9.010 0.482 6.054 251 HE ARG 26 HE ARG 26 7.378 -0.473 7.803 252 1HH1 ARG 26 1HH1 ARG 26 10.771 -1.290 7.579 253 2HH1 ARG 26 2HH1 ARG 26 10.917 -1.650 9.265 254 1HH2 ARG 26 1HH2 ARG 26 7.580 -0.943 10.016 255 2HH2 ARG 26 2HH2 ARG 26 9.111 -1.452 10.647 256 H VAL 27 HN VAL 27 8.228 0.347 1.188 257 HA VAL 27 HA VAL 27 10.294 -0.981 -0.259 258 HB VAL 27 HB VAL 27 7.665 0.275 -0.781 259 1HG1 VAL 27 HG11 VAL 27 8.034 0.021 -3.253 260 2HG1 VAL 27 HG12 VAL 27 9.760 -0.031 -2.892 261 3HG1 VAL 27 HG13 VAL 27 8.812 1.393 -2.467 262 1HG2 VAL 27 HG21 VAL 27 7.977 -2.138 -0.304 263 2HG2 VAL 27 HG22 VAL 27 8.880 -2.280 -1.813 264 3HG2 VAL 27 HG23 VAL 27 7.177 -1.820 -1.843 265 H LEU 28 HN LEU 28 9.585 2.208 0.739 266 HA LEU 28 HA LEU 28 11.005 3.637 -1.248 267 1HB LEU 28 HB2 LEU 28 9.968 5.400 -0.307 268 2HB LEU 28 HB1 LEU 28 9.060 4.227 0.574 269 HG LEU 28 HG LEU 28 10.576 4.437 2.463 270 1HD1 LEU 28 HD11 LEU 28 12.629 5.206 2.113 271 2HD1 LEU 28 HD12 LEU 28 11.924 6.820 2.027 272 3HD1 LEU 28 HD13 LEU 28 12.182 5.891 0.550 273 1HD2 LEU 28 HD21 LEU 28 9.994 7.249 2.184 274 2HD2 LEU 28 HD22 LEU 28 9.273 6.049 3.256 275 3HD2 LEU 28 HD23 LEU 28 8.652 6.252 1.618 276 H LYS 29 HN LYS 29 11.405 2.784 2.086 277 HA LYS 29 HA LYS 29 14.069 3.697 2.295 278 1HB LYS 29 HB2 LYS 29 14.097 2.753 4.490 279 2HB LYS 29 HB1 LYS 29 12.506 3.455 4.246 280 1HG LYS 29 HG2 LYS 29 11.899 1.487 5.182 281 2HG LYS 29 HG1 LYS 29 11.932 0.988 3.495 282 1HD LYS 29 HD2 LYS 29 14.117 0.025 3.758 283 2HD LYS 29 HD1 LYS 29 14.257 0.688 5.387 284 1HE LYS 29 HE2 LYS 29 11.942 -0.737 5.568 285 2HE LYS 29 HE1 LYS 29 12.874 -1.717 4.436 286 1HZ LYS 29 HZ1 LYS 29 14.221 -0.777 6.855 287 2HZ LYS 29 HZ2 LYS 29 14.420 -2.223 6.002 288 3HZ LYS 29 HZ3 LYS 29 13.088 -2.022 7.023 289 H ARG 30 HN ARG 30 12.553 0.991 0.995 290 HA ARG 30 HA ARG 30 14.839 -0.745 1.148 291 1HB ARG 30 HB2 ARG 30 13.416 -2.356 0.386 292 2HB ARG 30 HB1 ARG 30 12.189 -1.238 0.881 293 1HG ARG 30 HG2 ARG 30 11.441 -1.073 -1.186 294 2HG ARG 30 HG1 ARG 30 13.024 -0.669 -1.800 295 1HD ARG 30 HD2 ARG 30 13.570 -2.891 -2.220 296 2HD ARG 30 HD1 ARG 30 12.320 -3.495 -1.136 297 HE ARG 30 HE ARG 30 11.796 -2.284 -3.773 298 1HH1 ARG 30 1HH1 ARG 30 10.947 -4.522 -1.219 299 2HH1 ARG 30 2HH1 ARG 30 9.603 -5.182 -2.086 300 1HH2 ARG 30 1HH2 ARG 30 10.030 -3.158 -4.899 301 2HH2 ARG 30 2HH2 ARG 30 9.082 -4.411 -4.169 302 H TRP 31 HN TRP 31 13.201 1.457 -0.905 303 HA TRP 31 HA TRP 31 14.574 1.123 -3.302 304 1HB TRP 31 HB2 TRP 31 12.441 2.587 -2.238 305 2HB TRP 31 HB1 TRP 31 13.548 3.741 -2.866 306 HD1 TRP 31 HD1 TRP 31 11.221 1.142 -3.886 307 HE1 TRP 31 HE1 TRP 31 11.072 1.080 -6.447 308 HE3 TRP 31 HE3 TRP 31 14.971 4.108 -4.699 309 HZ2 TRP 31 HZ2 TRP 31 12.504 2.258 -8.594 310 HZ3 TRP 31 HZ3 TRP 31 15.668 4.704 -7.044 311 HH2 TRP 31 HH2 TRP 31 14.436 3.772 -8.962 312 H ARG 32 HN ARG 32 14.821 3.231 -0.449 313 HA ARG 32 HA ARG 32 16.968 4.851 -1.219 314 1HB ARG 32 HB2 ARG 32 16.089 3.674 1.387 315 2HB ARG 32 HB1 ARG 32 17.224 5.023 1.260 316 1HG ARG 32 HG2 ARG 32 14.456 5.142 0.102 317 2HG ARG 32 HG1 ARG 32 14.797 5.577 1.757 318 1HD ARG 32 HD2 ARG 32 16.168 6.729 -0.634 319 2HD ARG 32 HD1 ARG 32 14.762 7.464 0.130 320 HE ARG 32 HE ARG 32 16.624 7.126 2.137 321 1HH1 ARG 32 1HH1 ARG 32 16.463 8.846 -0.896 322 2HH1 ARG 32 2HH1 ARG 32 17.536 10.104 -0.382 323 1HH2 ARG 32 1HH2 ARG 32 18.035 8.779 2.815 324 2HH2 ARG 32 2HH2 ARG 32 18.429 10.065 1.724 325 H LEU 33 HN LEU 33 16.707 1.866 0.513 326 HA LEU 33 HA LEU 33 19.352 1.227 1.021 327 1HB LEU 33 HB2 LEU 33 16.677 -0.040 0.876 328 2HB LEU 33 HB1 LEU 33 18.042 -1.064 1.071 329 HG LEU 33 HG LEU 33 16.602 0.160 3.022 330 1HD1 LEU 33 HD11 LEU 33 19.393 -0.571 3.694 331 2HD1 LEU 33 HD12 LEU 33 18.382 -1.815 2.961 332 3HD1 LEU 33 HD13 LEU 33 17.883 -1.049 4.469 333 1HD2 LEU 33 HD21 LEU 33 17.780 2.253 2.300 334 2HD2 LEU 33 HD22 LEU 33 19.246 1.550 2.984 335 3HD2 LEU 33 HD23 LEU 33 17.854 1.868 4.022 336 H PHE 34 HN PHE 34 17.118 0.483 -1.457 337 HA PHE 34 HA PHE 34 18.789 -1.335 -2.891 338 1HB PHE 34 HB2 PHE 34 16.118 -0.278 -3.101 339 2HB PHE 34 HB1 PHE 34 16.860 -0.568 -4.647 340 HD1 PHE 34 HD1 PHE 34 15.693 -2.468 -5.359 341 HD2 PHE 34 HD2 PHE 34 17.481 -2.265 -1.532 342 HE1 PHE 34 HE1 PHE 34 15.308 -4.863 -5.073 343 HE2 PHE 34 HE2 PHE 34 17.111 -4.662 -1.218 344 HZ PHE 34 HZ PHE 34 16.011 -5.995 -2.989 345 H SER 35 HN SER 35 18.326 1.932 -2.611 346 HA SER 35 HA SER 35 19.671 2.544 -5.181 347 1HB SER 35 HB2 SER 35 17.728 3.978 -3.756 348 2HB SER 35 HB1 SER 35 19.216 4.895 -3.550 349 HG SER 35 HG SER 35 19.440 4.902 -5.814 350 H LYS 36 HN LYS 36 20.252 2.530 -1.738 351 HA LYS 36 HA LYS 36 22.758 3.939 -2.006 352 1HB LYS 36 HB2 LYS 36 22.777 4.097 0.263 353 2HB LYS 36 HB1 LYS 36 21.064 3.802 0.030 354 1HG LYS 36 HG2 LYS 36 21.271 1.534 0.684 355 2HG LYS 36 HG1 LYS 36 23.033 1.610 0.627 356 1HD LYS 36 HD2 LYS 36 22.130 1.689 2.931 357 2HD LYS 36 HD1 LYS 36 23.080 3.114 2.507 358 1HE LYS 36 HE2 LYS 36 20.293 3.486 1.844 359 2HE LYS 36 HE1 LYS 36 20.489 3.056 3.543 360 1HZ LYS 36 HZ1 LYS 36 20.718 5.539 2.599 361 2HZ LYS 36 HZ2 LYS 36 22.338 5.053 2.544 362 3HZ LYS 36 HZ3 LYS 36 21.488 4.998 4.006 363 H HIS 37 HN HIS 37 21.672 0.705 -2.037 364 HA HIS 37 HA HIS 37 24.204 -0.503 -1.460 365 1HB HIS 37 HB2 HIS 37 21.479 -1.377 -1.908 366 2HB HIS 37 HB1 HIS 37 22.621 -2.385 -2.769 367 HD1 HIS 37 HD1 HIS 37 23.229 -4.362 -1.425 368 HD2 HIS 37 HD2 HIS 37 22.589 -1.017 0.955 369 HE1 HIS 37 HE1 HIS 37 23.632 -5.129 0.936 370 HE2 HIS 37 HE2 HIS 37 23.141 -3.114 2.365 371 H GLU 38 HN GLU 38 22.225 -0.158 -4.393 372 HA GLU 38 HA GLU 38 24.484 -0.981 -6.030 373 1HB GLU 38 HB2 GLU 38 21.552 -0.785 -6.385 374 2HB GLU 38 HB1 GLU 38 22.525 -0.467 -7.811 375 1HG GLU 38 HG2 GLU 38 23.567 -2.630 -7.641 376 2HG GLU 38 HG1 GLU 38 22.730 -2.944 -6.120 Start of MODEL 16 1 1H VAL 1 HT1 VAL 1 -29.215 3.920 2.856 2 2H VAL 1 HT2 VAL 1 -30.514 3.349 1.890 3 3H VAL 1 HT3 VAL 1 -29.279 4.313 1.189 4 HA VAL 1 HA VAL 1 -29.403 1.650 1.145 5 HB VAL 1 HB VAL 1 -26.958 1.790 0.532 6 1HG1 VAL 1 HG11 VAL 1 -28.963 2.205 -1.000 7 2HG1 VAL 1 HG12 VAL 1 -27.390 2.791 -1.540 8 3HG1 VAL 1 HG13 VAL 1 -28.562 3.916 -0.854 9 1HG2 VAL 1 HG21 VAL 1 -27.133 4.747 0.591 10 2HG2 VAL 1 HG22 VAL 1 -25.732 3.689 0.759 11 3HG2 VAL 1 HG23 VAL 1 -26.826 3.928 2.122 12 H MET 2 HN MET 2 -28.584 -0.087 2.219 13 HA MET 2 HA MET 2 -28.030 0.166 4.968 14 1HB MET 2 HB2 MET 2 -28.309 -1.986 2.981 15 2HB MET 2 HB1 MET 2 -27.254 -2.355 4.323 16 1HG MET 2 HG2 MET 2 -29.102 -1.673 5.860 17 2HG MET 2 HG1 MET 2 -30.136 -1.556 4.436 18 1HE MET 2 HE1 MET 2 -31.775 -4.821 5.067 19 2HE MET 2 HE2 MET 2 -31.832 -3.218 4.336 20 3HE MET 2 HE3 MET 2 -31.674 -3.386 6.086 21 HA PRO 3 HA PRO 3 -23.595 0.403 4.778 22 1HB PRO 3 HB2 PRO 3 -23.015 0.088 7.323 23 2HB PRO 3 HB1 PRO 3 -24.220 1.304 6.900 24 1HG PRO 3 HG2 PRO 3 -24.655 -1.519 7.807 25 2HG PRO 3 HG1 PRO 3 -25.355 -0.027 8.479 26 1HD PRO 3 HD2 PRO 3 -26.616 -1.605 6.594 27 2HD PRO 3 HD1 PRO 3 -26.924 0.132 6.798 28 H LYS 4 HN LYS 4 -21.927 -1.263 6.531 29 HA LYS 4 HA LYS 4 -20.889 -3.270 6.644 30 1HB LYS 4 HB2 LYS 4 -23.343 -4.029 6.962 31 2HB LYS 4 HB1 LYS 4 -23.226 -4.582 5.298 32 1HG LYS 4 HG2 LYS 4 -21.083 -5.796 6.132 33 2HG LYS 4 HG1 LYS 4 -21.806 -5.575 7.727 34 1HD LYS 4 HD2 LYS 4 -23.932 -6.529 6.383 35 2HD LYS 4 HD1 LYS 4 -22.630 -7.318 5.490 36 1HE LYS 4 HE2 LYS 4 -21.719 -8.118 7.668 37 2HE LYS 4 HE1 LYS 4 -23.155 -7.463 8.454 38 1HZ LYS 4 HZ1 LYS 4 -24.368 -8.925 6.694 39 2HZ LYS 4 HZ2 LYS 4 -23.773 -9.623 8.115 40 3HZ LYS 4 HZ3 LYS 4 -22.907 -9.780 6.670 41 H GLN 5 HN GLN 5 -22.357 -2.304 3.614 42 HA GLN 5 HA GLN 5 -20.440 -3.907 2.137 43 1HB GLN 5 HB2 GLN 5 -22.128 -4.040 0.650 44 2HB GLN 5 HB1 GLN 5 -23.083 -2.978 1.664 45 1HG GLN 5 HG2 GLN 5 -23.108 -1.882 -0.323 46 2HG GLN 5 HG1 GLN 5 -21.791 -1.072 0.482 47 1HE2 GLN 5 HE21 GLN 5 -19.944 -3.244 0.001 48 2HE2 GLN 5 HE22 GLN 5 -19.627 -3.219 -1.677 49 H ILE 6 HN ILE 6 -21.116 -0.697 3.133 50 HA ILE 6 HA ILE 6 -19.113 0.475 1.445 51 HB ILE 6 HB ILE 6 -19.638 2.512 2.961 52 1HG1 ILE 6 HG12 ILE 6 -21.907 2.594 3.810 53 2HG1 ILE 6 HG11 ILE 6 -22.190 0.936 3.349 54 1HG2 ILE 6 HG21 ILE 6 -21.412 3.139 1.423 55 2HG2 ILE 6 HG22 ILE 6 -21.589 1.446 0.955 56 3HG2 ILE 6 HG23 ILE 6 -20.091 2.308 0.597 57 1HD1 ILE 6 HD11 ILE 6 -21.481 1.737 5.813 58 2HD1 ILE 6 HD12 ILE 6 -19.892 1.398 5.127 59 3HD1 ILE 6 HD13 ILE 6 -21.125 0.136 5.169 60 H VAL 7 HN VAL 7 -19.548 -0.783 4.635 61 HA VAL 7 HA VAL 7 -17.227 0.372 5.838 62 HB VAL 7 HB VAL 7 -19.432 -0.653 6.914 63 1HG1 VAL 7 HG11 VAL 7 -17.574 -3.029 6.929 64 2HG1 VAL 7 HG12 VAL 7 -19.087 -2.913 6.033 65 3HG1 VAL 7 HG13 VAL 7 -19.103 -2.893 7.796 66 1HG2 VAL 7 HG21 VAL 7 -18.329 -0.712 8.988 67 2HG2 VAL 7 HG22 VAL 7 -17.489 0.476 7.994 68 3HG2 VAL 7 HG23 VAL 7 -16.789 -1.123 8.235 69 H TYR 8 HN TYR 8 -18.227 -2.571 4.299 70 HA TYR 8 HA TYR 8 -15.915 -4.169 4.555 71 1HB TYR 8 HB2 TYR 8 -18.397 -4.370 3.290 72 2HB TYR 8 HB1 TYR 8 -17.227 -4.418 1.976 73 HD1 TYR 8 HD1 TYR 8 -17.038 -6.650 1.340 74 HD2 TYR 8 HD2 TYR 8 -17.002 -5.637 5.452 75 HE1 TYR 8 HE1 TYR 8 -16.453 -8.920 1.892 76 HE2 TYR 8 HE2 TYR 8 -16.418 -7.852 6.018 77 HH TYR 8 HH TYR 8 -16.816 -10.297 4.727 78 H TRP 9 HN TRP 9 -17.134 -1.925 2.139 79 HA TRP 9 HA TRP 9 -14.988 -1.930 0.315 80 1HB TRP 9 HB2 TRP 9 -17.275 -0.182 1.002 81 2HB TRP 9 HB1 TRP 9 -15.896 0.660 0.296 82 HD1 TRP 9 HD1 TRP 9 -18.909 -1.045 -0.706 83 HE1 TRP 9 HE1 TRP 9 -18.729 -1.638 -3.233 84 HE3 TRP 9 HE3 TRP 9 -14.049 -0.260 -1.318 85 HZ2 TRP 9 HZ2 TRP 9 -16.758 -1.744 -5.208 86 HZ3 TRP 9 HZ3 TRP 9 -13.019 -0.602 -3.536 87 HH2 TRP 9 HH2 TRP 9 -14.382 -1.339 -5.441 88 H LYS 10 HN LYS 10 -15.908 0.395 2.657 89 HA LYS 10 HA LYS 10 -13.693 1.997 2.828 90 1HB LYS 10 HB2 LYS 10 -15.726 2.620 3.914 91 2HB LYS 10 HB1 LYS 10 -15.704 1.176 4.914 92 1HG LYS 10 HG2 LYS 10 -13.331 2.415 5.522 93 2HG LYS 10 HG1 LYS 10 -14.465 3.751 5.338 94 1HD LYS 10 HD2 LYS 10 -15.527 1.484 6.852 95 2HD LYS 10 HD1 LYS 10 -14.132 2.256 7.608 96 1HE LYS 10 HE2 LYS 10 -16.374 3.930 6.564 97 2HE LYS 10 HE1 LYS 10 -16.541 3.117 8.118 98 1HZ LYS 10 HZ1 LYS 10 -14.810 5.337 7.359 99 2HZ LYS 10 HZ2 LYS 10 -14.174 4.219 8.457 100 3HZ LYS 10 HZ3 LYS 10 -15.609 5.038 8.821 101 H GLN 11 HN GLN 11 -14.390 -0.868 4.831 102 HA GLN 11 HA GLN 11 -11.868 -0.726 6.159 103 1HB GLN 11 HB2 GLN 11 -12.463 -2.690 7.280 104 2HB GLN 11 HB1 GLN 11 -13.989 -1.872 7.033 105 1HG GLN 11 HG2 GLN 11 -14.634 -3.359 5.344 106 2HG GLN 11 HG1 GLN 11 -13.004 -3.978 5.141 107 1HE2 GLN 11 HE21 GLN 11 -13.180 -3.847 8.391 108 2HE2 GLN 11 HE22 GLN 11 -13.863 -5.396 8.714 109 H TRP 12 HN TRP 12 -12.439 -1.293 3.095 110 HA TRP 12 HA TRP 12 -10.277 -3.266 2.783 111 1HB TRP 12 HB2 TRP 12 -12.586 -3.690 1.767 112 2HB TRP 12 HB1 TRP 12 -12.237 -2.428 0.649 113 HD1 TRP 12 HD1 TRP 12 -11.688 -5.983 1.212 114 HE1 TRP 12 HE1 TRP 12 -10.054 -6.894 -0.536 115 HE3 TRP 12 HE3 TRP 12 -10.234 -1.631 -0.617 116 HZ2 TRP 12 HZ2 TRP 12 -8.347 -5.831 -2.519 117 HZ3 TRP 12 HZ3 TRP 12 -8.576 -1.540 -2.483 118 HH2 TRP 12 HH2 TRP 12 -7.646 -3.652 -3.416 119 H LEU 13 HN LEU 13 -11.432 -0.047 1.771 120 HA LEU 13 HA LEU 13 -8.882 0.352 0.387 121 1HB LEU 13 HB2 LEU 13 -11.360 2.088 0.482 122 2HB LEU 13 HB1 LEU 13 -9.905 2.458 -0.423 123 HG LEU 13 HG LEU 13 -11.535 -0.019 -0.930 124 1HD1 LEU 13 HD11 LEU 13 -11.705 2.556 -2.477 125 2HD1 LEU 13 HD12 LEU 13 -12.848 2.117 -1.207 126 3HD1 LEU 13 HD13 LEU 13 -12.704 1.115 -2.650 127 1HD2 LEU 13 HD21 LEU 13 -9.890 1.349 -2.982 128 2HD2 LEU 13 HD22 LEU 13 -10.197 -0.370 -2.735 129 3HD2 LEU 13 HD23 LEU 13 -9.039 0.475 -1.709 130 H SER 14 HN SER 14 -10.217 0.793 3.418 131 HA SER 14 HA SER 14 -8.810 3.270 3.950 132 1HB SER 14 HB2 SER 14 -11.066 2.206 5.076 133 2HB SER 14 HB1 SER 14 -9.847 1.758 6.259 134 HG SER 14 HG SER 14 -9.562 3.804 6.765 135 H LEU 15 HN LEU 15 -8.667 -0.118 4.807 136 HA LEU 15 HA LEU 15 -6.195 0.204 6.210 137 1HB LEU 15 HB2 LEU 15 -7.694 -2.301 5.470 138 2HB LEU 15 HB1 LEU 15 -6.406 -2.153 6.648 139 HG LEU 15 HG LEU 15 -8.267 -2.178 8.009 140 1HD1 LEU 15 HD11 LEU 15 -8.650 0.071 8.826 141 2HD1 LEU 15 HD12 LEU 15 -8.013 0.744 7.322 142 3HD1 LEU 15 HD13 LEU 15 -6.943 -0.126 8.424 143 1HD2 LEU 15 HD21 LEU 15 -10.243 -2.101 7.023 144 2HD2 LEU 15 HD22 LEU 15 -9.511 -1.376 5.583 145 3HD2 LEU 15 HD23 LEU 15 -10.087 -0.347 6.902 146 H ARG 16 HN ARG 16 -7.261 -1.754 3.467 147 HA ARG 16 HA ARG 16 -4.820 -2.652 2.593 148 1HB ARG 16 HB2 ARG 16 -7.299 -1.928 1.115 149 2HB ARG 16 HB1 ARG 16 -5.888 -2.429 0.222 150 1HG ARG 16 HG2 ARG 16 -7.465 -4.005 2.230 151 2HG ARG 16 HG1 ARG 16 -7.250 -4.340 0.510 152 1HD ARG 16 HD2 ARG 16 -4.700 -4.387 1.224 153 2HD ARG 16 HD1 ARG 16 -5.400 -4.792 2.788 154 HE ARG 16 HE ARG 16 -5.804 -6.353 0.318 155 1HH1 ARG 16 1HH1 ARG 16 -5.587 -6.168 3.806 156 2HH1 ARG 16 2HH1 ARG 16 -5.727 -7.878 4.022 157 1HH2 ARG 16 1HH2 ARG 16 -5.988 -8.597 0.617 158 2HH2 ARG 16 2HH2 ARG 16 -5.954 -9.254 2.219 159 H ASN 17 HN ASN 17 -6.107 0.497 2.348 160 HA ASN 17 HA ASN 17 -4.506 1.563 0.329 161 1HB ASN 17 HB2 ASN 17 -6.392 2.469 2.290 162 2HB ASN 17 HB1 ASN 17 -5.108 3.603 2.115 163 1HD2 ASN 17 HD21 ASN 17 -7.112 4.792 1.405 164 2HD2 ASN 17 HD22 ASN 17 -7.434 4.771 -0.283 165 HA PRO 18 HA PRO 18 -1.627 3.527 3.604 166 1HB PRO 18 HB2 PRO 18 -1.971 2.618 6.189 167 2HB PRO 18 HB1 PRO 18 -2.527 4.173 5.563 168 1HG PRO 18 HG2 PRO 18 -4.009 1.603 5.804 169 2HG PRO 18 HG1 PRO 18 -4.553 3.249 6.180 170 1HD PRO 18 HD2 PRO 18 -5.293 2.114 3.918 171 2HD PRO 18 HD1 PRO 18 -4.775 3.807 3.924 172 H ILE 19 HN ILE 19 -2.775 0.339 3.716 173 HA ILE 19 HA ILE 19 -0.433 -0.848 4.842 174 HB ILE 19 HB ILE 19 -2.728 -2.099 3.353 175 1HG1 ILE 19 HG12 ILE 19 -2.019 -1.771 6.262 176 2HG1 ILE 19 HG11 ILE 19 -3.449 -1.195 5.439 177 1HG2 ILE 19 HG21 ILE 19 -1.324 -3.963 5.004 178 2HG2 ILE 19 HG22 ILE 19 -0.181 -3.218 3.890 179 3HG2 ILE 19 HG23 ILE 19 -1.617 -4.027 3.267 180 1HD1 ILE 19 HD11 ILE 19 -3.777 -3.800 5.019 181 2HD1 ILE 19 HD12 ILE 19 -4.360 -2.983 6.469 182 3HD1 ILE 19 HD13 ILE 19 -2.837 -3.873 6.509 183 H LEU 20 HN LEU 20 -1.552 -0.317 1.602 184 HA LEU 20 HA LEU 20 0.543 -1.806 0.354 185 1HB LEU 20 HB2 LEU 20 -0.234 -0.987 -1.718 186 2HB LEU 20 HB1 LEU 20 -1.649 -1.310 -0.745 187 HG LEU 20 HG LEU 20 -0.898 1.424 -0.398 188 1HD1 LEU 20 HD11 LEU 20 0.099 0.829 -2.739 189 2HD1 LEU 20 HD12 LEU 20 -0.843 2.305 -2.526 190 3HD1 LEU 20 HD13 LEU 20 -1.589 0.878 -3.247 191 1HD2 LEU 20 HD21 LEU 20 -3.257 0.181 -1.781 192 2HD2 LEU 20 HD22 LEU 20 -3.160 1.806 -1.099 193 3HD2 LEU 20 HD23 LEU 20 -3.091 0.397 -0.041 194 H VAL 21 HN VAL 21 -0.120 1.448 1.290 195 HA VAL 21 HA VAL 21 2.062 2.807 0.229 196 HB VAL 21 HB VAL 21 0.327 3.001 2.616 197 1HG1 VAL 21 HG11 VAL 21 1.441 4.887 3.456 198 2HG1 VAL 21 HG12 VAL 21 2.492 4.975 2.038 199 3HG1 VAL 21 HG13 VAL 21 2.654 3.632 3.176 200 1HG2 VAL 21 HG21 VAL 21 0.747 4.829 0.261 201 2HG2 VAL 21 HG22 VAL 21 -0.437 5.064 1.549 202 3HG2 VAL 21 HG23 VAL 21 -0.570 3.672 0.468 203 H PHE 22 HN PHE 22 1.392 1.315 3.342 204 HA PHE 22 HA PHE 22 3.753 1.649 4.706 205 1HB PHE 22 HB2 PHE 22 2.268 0.715 6.095 206 2HB PHE 22 HB1 PHE 22 1.391 -0.030 4.778 207 HD1 PHE 22 HD1 PHE 22 1.327 -2.190 4.635 208 HD2 PHE 22 HD2 PHE 22 4.577 -0.326 6.529 209 HE1 PHE 22 HE1 PHE 22 2.240 -4.412 5.179 210 HE2 PHE 22 HE2 PHE 22 5.534 -2.509 7.109 211 HZ PHE 22 HZ PHE 22 4.367 -4.580 6.419 212 H LEU 23 HN LEU 23 2.865 -0.510 2.141 213 HA LEU 23 HA LEU 23 5.348 -2.091 2.443 214 1HB LEU 23 HB2 LEU 23 3.237 -2.082 0.297 215 2HB LEU 23 HB1 LEU 23 4.692 -3.055 0.197 216 HG LEU 23 HG LEU 23 3.659 -3.754 2.655 217 1HD1 LEU 23 HD11 LEU 23 1.417 -3.681 2.654 218 2HD1 LEU 23 HD12 LEU 23 1.305 -3.995 0.918 219 3HD1 LEU 23 HD13 LEU 23 1.678 -2.365 1.502 220 1HD2 LEU 23 HD21 LEU 23 4.380 -5.556 1.482 221 2HD2 LEU 23 HD22 LEU 23 3.794 -4.923 -0.055 222 3HD2 LEU 23 HD23 LEU 23 2.672 -5.691 1.068 223 H LYS 24 HN LYS 24 4.055 0.437 0.525 224 HA LYS 24 HA LYS 24 6.037 0.619 -1.433 225 1HB LYS 24 HB2 LYS 24 3.670 1.951 -0.614 226 2HB LYS 24 HB1 LYS 24 4.877 3.158 -0.911 227 1HG LYS 24 HG2 LYS 24 4.394 2.961 -3.069 228 2HG LYS 24 HG1 LYS 24 5.073 1.332 -2.997 229 1HD LYS 24 HD2 LYS 24 3.049 0.580 -3.527 230 2HD LYS 24 HD1 LYS 24 2.573 1.035 -1.883 231 1HE LYS 24 HE2 LYS 24 1.145 2.515 -2.744 232 2HE LYS 24 HE1 LYS 24 2.499 3.385 -3.461 233 1HZ LYS 24 HZ1 LYS 24 2.269 1.537 -5.271 234 2HZ LYS 24 HZ2 LYS 24 1.273 2.903 -5.306 235 3HZ LYS 24 HZ3 LYS 24 0.682 1.443 -4.693 236 H THR 25 HN THR 25 5.593 2.144 1.650 237 HA THR 25 HA THR 25 7.814 3.848 1.566 238 HB THR 25 HB THR 25 6.093 4.390 3.101 239 HG1 THR 25 HG1 THR 25 7.208 4.536 4.999 240 1HG2 THR 25 HG21 THR 25 5.183 2.071 3.279 241 2HG2 THR 25 HG22 THR 25 5.223 2.982 4.791 242 3HG2 THR 25 HG23 THR 25 6.439 1.747 4.472 243 H ARG 26 HN ARG 26 7.217 0.614 2.893 244 HA ARG 26 HA ARG 26 9.753 0.262 4.084 245 1HB ARG 26 HB2 ARG 26 7.746 -1.640 2.901 246 2HB ARG 26 HB1 ARG 26 9.215 -2.206 3.690 247 1HG ARG 26 HG2 ARG 26 6.846 -0.829 4.889 248 2HG ARG 26 HG1 ARG 26 7.577 -2.359 5.337 249 1HD ARG 26 HD2 ARG 26 9.554 -1.148 6.156 250 2HD ARG 26 HD1 ARG 26 8.773 0.375 5.733 251 HE ARG 26 HE ARG 26 8.107 -1.375 7.963 252 1HH1 ARG 26 1HH1 ARG 26 7.314 1.463 6.091 253 2HH1 ARG 26 2HH1 ARG 26 6.246 2.108 7.289 254 1HH2 ARG 26 1HH2 ARG 26 6.701 -0.522 9.540 255 2HH2 ARG 26 2HH2 ARG 26 5.900 0.984 9.246 256 H VAL 27 HN VAL 27 8.486 -0.270 0.894 257 HA VAL 27 HA VAL 27 10.870 -1.373 -0.222 258 HB VAL 27 HB VAL 27 8.153 -0.582 -1.098 259 1HG1 VAL 27 HG11 VAL 27 9.305 0.550 -2.776 260 2HG1 VAL 27 HG12 VAL 27 8.806 -0.984 -3.489 261 3HG1 VAL 27 HG13 VAL 27 10.477 -0.749 -2.974 262 1HG2 VAL 27 HG21 VAL 27 8.379 -2.829 -0.487 263 2HG2 VAL 27 HG22 VAL 27 9.899 -3.007 -1.365 264 3HG2 VAL 27 HG23 VAL 27 8.383 -2.845 -2.251 265 H LEU 28 HN LEU 28 9.610 1.752 0.386 266 HA LEU 28 HA LEU 28 11.024 3.190 -1.600 267 1HB LEU 28 HB2 LEU 28 9.676 4.867 -0.961 268 2HB LEU 28 HB1 LEU 28 8.823 3.659 -0.071 269 HG LEU 28 HG LEU 28 10.051 4.248 1.946 270 1HD1 LEU 28 HD11 LEU 28 11.129 6.739 1.448 271 2HD1 LEU 28 HD12 LEU 28 11.661 5.766 0.075 272 3HD1 LEU 28 HD13 LEU 28 12.019 5.242 1.718 273 1HD2 LEU 28 HD21 LEU 28 8.074 5.771 0.641 274 2HD2 LEU 28 HD22 LEU 28 9.172 6.914 1.410 275 3HD2 LEU 28 HD23 LEU 28 8.393 5.659 2.371 276 H LYS 29 HN LYS 29 11.174 2.681 1.822 277 HA LYS 29 HA LYS 29 13.641 4.000 2.218 278 1HB LYS 29 HB2 LYS 29 13.556 3.239 4.477 279 2HB LYS 29 HB1 LYS 29 11.914 3.657 4.015 280 1HG LYS 29 HG2 LYS 29 11.183 1.516 4.137 281 2HG LYS 29 HG1 LYS 29 12.739 0.834 3.663 282 1HD LYS 29 HD2 LYS 29 13.159 2.127 6.126 283 2HD LYS 29 HD1 LYS 29 11.654 1.220 6.289 284 1HE LYS 29 HE2 LYS 29 13.648 -0.087 6.941 285 2HE LYS 29 HE1 LYS 29 12.750 -0.814 5.609 286 1HZ LYS 29 HZ1 LYS 29 14.648 -0.846 4.491 287 2HZ LYS 29 HZ2 LYS 29 15.450 0.045 5.683 288 3HZ LYS 29 HZ3 LYS 29 14.623 0.845 4.444 289 H ARG 30 HN ARG 30 12.687 1.008 1.035 290 HA ARG 30 HA ARG 30 15.174 -0.340 1.560 291 1HB ARG 30 HB2 ARG 30 14.081 -2.204 0.823 292 2HB ARG 30 HB1 ARG 30 12.660 -1.252 1.094 293 1HG ARG 30 HG2 ARG 30 12.141 -1.280 -1.059 294 2HG ARG 30 HG1 ARG 30 13.757 -0.834 -1.543 295 1HD ARG 30 HD2 ARG 30 13.116 -3.007 -2.453 296 2HD ARG 30 HD1 ARG 30 14.470 -3.157 -1.333 297 HE ARG 30 HE ARG 30 12.512 -3.690 0.318 298 1HH1 ARG 30 1HH1 ARG 30 12.852 -4.761 -2.991 299 2HH1 ARG 30 2HH1 ARG 30 11.937 -6.208 -2.742 300 1HH2 ARG 30 1HH2 ARG 30 11.312 -5.591 0.638 301 2HH2 ARG 30 2HH2 ARG 30 11.063 -6.681 -0.685 302 H TRP 31 HN TRP 31 13.466 1.445 -0.807 303 HA TRP 31 HA TRP 31 15.133 1.151 -3.014 304 1HB TRP 31 HB2 TRP 31 12.706 2.342 -2.312 305 2HB TRP 31 HB1 TRP 31 13.698 3.602 -2.926 306 HD1 TRP 31 HD1 TRP 31 11.903 0.608 -3.938 307 HE1 TRP 31 HE1 TRP 31 12.063 0.331 -6.485 308 HE3 TRP 31 HE3 TRP 31 15.256 4.044 -4.630 309 HZ2 TRP 31 HZ2 TRP 31 13.551 1.547 -8.570 310 HZ3 TRP 31 HZ3 TRP 31 16.127 4.559 -6.933 311 HH2 TRP 31 HH2 TRP 31 15.275 3.308 -8.874 312 H ARG 32 HN ARG 32 14.776 3.490 -0.321 313 HA ARG 32 HA ARG 32 16.762 5.331 -1.054 314 1HB ARG 32 HB2 ARG 32 15.813 4.231 1.556 315 2HB ARG 32 HB1 ARG 32 16.837 5.667 1.434 316 1HG ARG 32 HG2 ARG 32 15.089 6.792 0.171 317 2HG ARG 32 HG1 ARG 32 14.079 5.364 0.267 318 1HD ARG 32 HD2 ARG 32 13.493 5.741 2.379 319 2HD ARG 32 HD1 ARG 32 15.088 6.314 2.838 320 HE ARG 32 HE ARG 32 12.868 7.909 1.856 321 1HH1 ARG 32 1HH1 ARG 32 16.272 7.780 2.636 322 2HH1 ARG 32 2HH1 ARG 32 16.427 9.498 2.783 323 1HH2 ARG 32 1HH2 ARG 32 13.079 10.166 2.048 324 2HH2 ARG 32 2HH2 ARG 32 14.618 10.852 2.448 325 H LEU 33 HN LEU 33 16.745 2.476 0.888 326 HA LEU 33 HA LEU 33 19.375 2.228 1.677 327 1HB LEU 33 HB2 LEU 33 16.923 0.592 1.351 328 2HB LEU 33 HB1 LEU 33 18.385 -0.218 1.744 329 HG LEU 33 HG LEU 33 16.591 0.890 3.460 330 1HD1 LEU 33 HD11 LEU 33 18.614 -0.825 3.698 331 2HD1 LEU 33 HD12 LEU 33 17.847 -0.074 5.098 332 3HD1 LEU 33 HD13 LEU 33 19.358 0.579 4.463 333 1HD2 LEU 33 HD21 LEU 33 17.486 2.800 4.467 334 2HD2 LEU 33 HD22 LEU 33 17.576 3.084 2.725 335 3HD2 LEU 33 HD23 LEU 33 19.022 2.615 3.617 336 H PHE 34 HN PHE 34 17.535 1.046 -0.948 337 HA PHE 34 HA PHE 34 19.618 -0.555 -2.097 338 1HB PHE 34 HB2 PHE 34 16.829 -0.025 -2.581 339 2HB PHE 34 HB1 PHE 34 17.742 -0.260 -4.044 340 HD1 PHE 34 HD1 PHE 34 18.376 -1.620 -0.773 341 HD2 PHE 34 HD2 PHE 34 17.028 -2.387 -4.705 342 HE1 PHE 34 HE1 PHE 34 18.438 -4.024 -0.311 343 HE2 PHE 34 HE2 PHE 34 17.069 -4.791 -4.273 344 HZ PHE 34 HZ PHE 34 17.777 -5.643 -2.061 345 H SER 35 HN SER 35 18.594 2.592 -2.109 346 HA SER 35 HA SER 35 20.057 3.237 -4.608 347 1HB SER 35 HB2 SER 35 17.732 4.387 -3.493 348 2HB SER 35 HB1 SER 35 19.001 5.594 -3.345 349 HG SER 35 HG SER 35 17.915 5.706 -5.358 350 H LYS 36 HN LYS 36 20.350 3.462 -1.157 351 HA LYS 36 HA LYS 36 22.521 5.385 -1.366 352 1HB LYS 36 HB2 LYS 36 22.342 5.684 0.903 353 2HB LYS 36 HB1 LYS 36 20.707 5.210 0.496 354 1HG LYS 36 HG2 LYS 36 21.127 3.992 2.395 355 2HG LYS 36 HG1 LYS 36 21.479 2.832 1.116 356 1HD LYS 36 HD2 LYS 36 23.857 4.284 1.642 357 2HD LYS 36 HD1 LYS 36 23.183 3.775 3.193 358 1HE LYS 36 HE2 LYS 36 23.485 1.573 2.756 359 2HE LYS 36 HE1 LYS 36 23.197 1.771 1.028 360 1HZ LYS 36 HZ1 LYS 36 25.687 2.433 2.508 361 2HZ LYS 36 HZ2 LYS 36 25.424 2.811 0.881 362 3HZ LYS 36 HZ3 LYS 36 25.478 1.194 1.375 363 H HIS 37 HN HIS 37 22.034 2.060 -1.368 364 HA HIS 37 HA HIS 37 24.603 1.260 -0.384 365 1HB HIS 37 HB2 HIS 37 22.150 -0.023 -1.223 366 2HB HIS 37 HB1 HIS 37 23.544 -0.823 -1.919 367 HD1 HIS 37 HD1 HIS 37 24.785 -2.406 -0.435 368 HD2 HIS 37 HD2 HIS 37 22.262 0.124 1.687 369 HE1 HIS 37 HE1 HIS 37 24.842 -3.238 1.938 370 HE2 HIS 37 HE2 HIS 37 23.287 -1.708 3.202 371 H GLU 38 HN GLU 38 23.072 1.344 -3.589 372 HA GLU 38 HA GLU 38 25.765 1.370 -4.777 373 1HB GLU 38 HB2 GLU 38 24.825 0.227 -6.735 374 2HB GLU 38 HB1 GLU 38 24.623 -0.730 -5.274 375 1HG GLU 38 HG2 GLU 38 22.357 -0.497 -5.264 376 2HG GLU 38 HG1 GLU 38 22.401 1.063 -6.085 Start of MODEL 17 1 1H VAL 1 HT1 VAL 1 -27.763 -6.924 3.806 2 2H VAL 1 HT2 VAL 1 -26.876 -5.890 2.763 3 3H VAL 1 HT3 VAL 1 -28.561 -6.110 2.527 4 HA VAL 1 HA VAL 1 -29.136 -4.855 4.283 5 HB VAL 1 HB VAL 1 -27.538 -4.210 6.076 6 1HG1 VAL 1 HG11 VAL 1 -27.247 -6.976 6.531 7 2HG1 VAL 1 HG12 VAL 1 -28.741 -6.761 5.619 8 3HG1 VAL 1 HG13 VAL 1 -28.505 -5.899 7.139 9 1HG2 VAL 1 HG21 VAL 1 -25.706 -5.858 4.405 10 2HG2 VAL 1 HG22 VAL 1 -25.507 -5.884 6.157 11 3HG2 VAL 1 HG23 VAL 1 -25.395 -4.359 5.280 12 H MET 2 HN MET 2 -28.521 -2.544 4.925 13 HA MET 2 HA MET 2 -27.870 -1.113 2.609 14 1HB MET 2 HB2 MET 2 -28.621 -0.537 5.386 15 2HB MET 2 HB1 MET 2 -27.621 0.687 4.643 16 1HG MET 2 HG2 MET 2 -30.143 -0.378 3.428 17 2HG MET 2 HG1 MET 2 -30.071 1.064 4.440 18 1HE MET 2 HE1 MET 2 -27.850 3.288 3.129 19 2HE MET 2 HE2 MET 2 -29.352 3.057 4.025 20 3HE MET 2 HE3 MET 2 -29.385 3.799 2.426 21 HA PRO 3 HA PRO 3 -23.609 -0.290 4.519 22 1HB PRO 3 HB2 PRO 3 -23.092 -0.679 7.066 23 2HB PRO 3 HB1 PRO 3 -24.354 0.479 6.656 24 1HG PRO 3 HG2 PRO 3 -24.649 -2.404 7.424 25 2HG PRO 3 HG1 PRO 3 -25.454 -0.987 8.140 26 1HD PRO 3 HD2 PRO 3 -26.568 -2.539 6.149 27 2HD PRO 3 HD1 PRO 3 -26.973 -0.831 6.415 28 H LYS 4 HN LYS 4 -21.911 -1.947 6.274 29 HA LYS 4 HA LYS 4 -20.750 -3.882 6.330 30 1HB LYS 4 HB2 LYS 4 -22.995 -4.891 6.730 31 2HB LYS 4 HB1 LYS 4 -23.148 -5.139 4.998 32 1HG LYS 4 HG2 LYS 4 -20.901 -6.415 5.239 33 2HG LYS 4 HG1 LYS 4 -21.340 -6.494 6.947 34 1HD LYS 4 HD2 LYS 4 -23.652 -7.202 5.519 35 2HD LYS 4 HD1 LYS 4 -22.319 -8.054 4.736 36 1HE LYS 4 HE2 LYS 4 -21.697 -8.502 7.309 37 2HE LYS 4 HE1 LYS 4 -23.449 -8.369 7.449 38 1HZ LYS 4 HZ1 LYS 4 -23.763 -10.157 5.988 39 2HZ LYS 4 HZ2 LYS 4 -22.518 -10.659 7.017 40 3HZ LYS 4 HZ3 LYS 4 -22.158 -10.130 5.451 41 H GLN 5 HN GLN 5 -22.213 -2.909 3.308 42 HA GLN 5 HA GLN 5 -20.193 -4.363 1.817 43 1HB GLN 5 HB2 GLN 5 -21.788 -4.493 0.249 44 2HB GLN 5 HB1 GLN 5 -22.866 -3.651 1.346 45 1HG GLN 5 HG2 GLN 5 -23.066 -2.146 -0.287 46 2HG GLN 5 HG1 GLN 5 -21.512 -1.606 0.224 47 1HE2 GLN 5 HE21 GLN 5 -22.890 -4.000 -1.890 48 2HE2 GLN 5 HE22 GLN 5 -21.711 -3.784 -3.106 49 H ILE 6 HN ILE 6 -21.040 -1.241 2.916 50 HA ILE 6 HA ILE 6 -19.071 0.104 1.312 51 HB ILE 6 HB ILE 6 -19.738 2.049 2.879 52 1HG1 ILE 6 HG12 ILE 6 -22.015 1.978 3.709 53 2HG1 ILE 6 HG11 ILE 6 -22.199 0.319 3.198 54 1HG2 ILE 6 HG21 ILE 6 -21.631 0.961 0.832 55 2HG2 ILE 6 HG22 ILE 6 -20.159 1.876 0.499 56 3HG2 ILE 6 HG23 ILE 6 -21.507 2.647 1.342 57 1HD1 ILE 6 HD11 ILE 6 -21.050 -0.474 4.985 58 2HD1 ILE 6 HD12 ILE 6 -21.591 1.046 5.691 59 3HD1 ILE 6 HD13 ILE 6 -19.960 0.911 5.034 60 H VAL 7 HN VAL 7 -19.513 -1.321 4.420 61 HA VAL 7 HA VAL 7 -17.311 -0.074 5.752 62 HB VAL 7 HB VAL 7 -19.498 -1.284 6.685 63 1HG1 VAL 7 HG11 VAL 7 -19.047 -3.511 7.518 64 2HG1 VAL 7 HG12 VAL 7 -17.461 -3.503 6.749 65 3HG1 VAL 7 HG13 VAL 7 -18.922 -3.476 5.760 66 1HG2 VAL 7 HG21 VAL 7 -17.765 -0.026 7.911 67 2HG2 VAL 7 HG22 VAL 7 -16.863 -1.530 8.085 68 3HG2 VAL 7 HG23 VAL 7 -18.459 -1.370 8.816 69 H TYR 8 HN TYR 8 -18.084 -2.996 4.063 70 HA TYR 8 HA TYR 8 -15.694 -4.474 4.334 71 1HB TYR 8 HB2 TYR 8 -18.121 -4.740 2.960 72 2HB TYR 8 HB1 TYR 8 -16.890 -4.698 1.704 73 HD1 TYR 8 HD1 TYR 8 -16.753 -6.009 5.153 74 HD2 TYR 8 HD2 TYR 8 -16.594 -6.900 1.015 75 HE1 TYR 8 HE1 TYR 8 -16.090 -8.213 5.677 76 HE2 TYR 8 HE2 TYR 8 -15.944 -9.162 1.525 77 HH TYR 8 HH TYR 8 -16.012 -10.765 3.337 78 H TRP 9 HN TRP 9 -16.964 -2.212 1.953 79 HA TRP 9 HA TRP 9 -14.769 -2.004 0.218 80 1HB TRP 9 HB2 TRP 9 -17.188 -0.455 0.893 81 2HB TRP 9 HB1 TRP 9 -15.846 0.533 0.315 82 HD1 TRP 9 HD1 TRP 9 -18.633 -1.419 -0.913 83 HE1 TRP 9 HE1 TRP 9 -18.328 -1.778 -3.473 84 HE3 TRP 9 HE3 TRP 9 -13.901 -0.005 -1.304 85 HZ2 TRP 9 HZ2 TRP 9 -16.317 -1.480 -5.385 86 HZ3 TRP 9 HZ3 TRP 9 -12.784 -0.031 -3.510 87 HH2 TRP 9 HH2 TRP 9 -14.004 -0.770 -5.509 88 H LYS 10 HN LYS 10 -15.901 0.167 2.621 89 HA LYS 10 HA LYS 10 -13.788 1.878 2.934 90 1HB LYS 10 HB2 LYS 10 -15.871 2.336 4.003 91 2HB LYS 10 HB1 LYS 10 -15.795 0.845 4.929 92 1HG LYS 10 HG2 LYS 10 -13.497 2.214 5.626 93 2HG LYS 10 HG1 LYS 10 -14.744 3.453 5.536 94 1HD LYS 10 HD2 LYS 10 -15.714 2.736 7.419 95 2HD LYS 10 HD1 LYS 10 -15.679 1.056 6.878 96 1HE LYS 10 HE2 LYS 10 -13.117 1.282 7.440 97 2HE LYS 10 HE1 LYS 10 -13.687 2.583 8.484 98 1HZ LYS 10 HZ1 LYS 10 -14.258 -0.300 8.636 99 2HZ LYS 10 HZ2 LYS 10 -15.354 0.808 9.293 100 3HZ LYS 10 HZ3 LYS 10 -13.762 0.757 9.860 101 H GLN 11 HN GLN 11 -14.382 -1.093 4.804 102 HA GLN 11 HA GLN 11 -11.886 -0.891 6.170 103 1HB GLN 11 HB2 GLN 11 -12.416 -2.895 7.241 104 2HB GLN 11 HB1 GLN 11 -13.970 -2.138 6.989 105 1HG GLN 11 HG2 GLN 11 -14.632 -3.689 5.447 106 2HG GLN 11 HG1 GLN 11 -12.990 -4.066 4.944 107 1HE2 GLN 11 HE21 GLN 11 -12.631 -4.205 8.173 108 2HE2 GLN 11 HE22 GLN 11 -13.069 -5.849 8.452 109 H TRP 12 HN TRP 12 -12.362 -1.385 3.083 110 HA TRP 12 HA TRP 12 -10.111 -3.256 2.767 111 1HB TRP 12 HB2 TRP 12 -12.385 -3.778 1.704 112 2HB TRP 12 HB1 TRP 12 -12.069 -2.489 0.607 113 HD1 TRP 12 HD1 TRP 12 -11.364 -6.022 1.150 114 HE1 TRP 12 HE1 TRP 12 -9.658 -6.836 -0.577 115 HE3 TRP 12 HE3 TRP 12 -10.089 -1.587 -0.609 116 HZ2 TRP 12 HZ2 TRP 12 -7.967 -5.674 -2.516 117 HZ3 TRP 12 HZ3 TRP 12 -8.399 -1.399 -2.445 118 HH2 TRP 12 HH2 TRP 12 -7.352 -3.455 -3.380 119 H LEU 13 HN LEU 13 -11.419 -0.084 1.795 120 HA LEU 13 HA LEU 13 -8.874 0.475 0.463 121 1HB LEU 13 HB2 LEU 13 -10.881 1.012 -0.816 122 2HB LEU 13 HB1 LEU 13 -11.472 2.022 0.491 123 HG LEU 13 HG LEU 13 -8.824 2.833 -0.400 124 1HD1 LEU 13 HD11 LEU 13 -9.056 3.035 -2.600 125 2HD1 LEU 13 HD12 LEU 13 -10.680 3.705 -2.441 126 3HD1 LEU 13 HD13 LEU 13 -10.445 1.957 -2.472 127 1HD2 LEU 13 HD21 LEU 13 -11.363 3.991 0.454 128 2HD2 LEU 13 HD22 LEU 13 -10.557 4.915 -0.813 129 3HD2 LEU 13 HD23 LEU 13 -9.713 4.565 0.695 130 H SER 14 HN SER 14 -10.270 0.786 3.474 131 HA SER 14 HA SER 14 -9.011 3.326 4.072 132 1HB SER 14 HB2 SER 14 -11.223 2.115 5.151 133 2HB SER 14 HB1 SER 14 -9.990 1.726 6.341 134 HG SER 14 HG SER 14 -9.902 3.755 6.918 135 H LEU 15 HN LEU 15 -8.716 -0.069 4.897 136 HA LEU 15 HA LEU 15 -6.280 0.348 6.334 137 1HB LEU 15 HB2 LEU 15 -7.623 -2.218 5.509 138 2HB LEU 15 HB1 LEU 15 -6.365 -2.026 6.711 139 HG LEU 15 HG LEU 15 -8.234 -2.194 8.043 140 1HD1 LEU 15 HD11 LEU 15 -7.056 -0.070 8.525 141 2HD1 LEU 15 HD12 LEU 15 -8.778 0.000 8.909 142 3HD1 LEU 15 HD13 LEU 15 -8.171 0.754 7.433 143 1HD2 LEU 15 HD21 LEU 15 -10.167 -0.475 6.963 144 2HD2 LEU 15 HD22 LEU 15 -10.192 -2.240 7.021 145 3HD2 LEU 15 HD23 LEU 15 -9.501 -1.409 5.618 146 H ARG 16 HN ARG 16 -7.201 -1.590 3.526 147 HA ARG 16 HA ARG 16 -4.706 -2.334 2.676 148 1HB ARG 16 HB2 ARG 16 -7.184 -1.704 1.166 149 2HB ARG 16 HB1 ARG 16 -5.728 -2.093 0.291 150 1HG ARG 16 HG2 ARG 16 -7.210 -3.823 2.245 151 2HG ARG 16 HG1 ARG 16 -7.014 -4.082 0.511 152 1HD ARG 16 HD2 ARG 16 -4.487 -4.106 1.036 153 2HD ARG 16 HD1 ARG 16 -4.996 -4.362 2.706 154 HE ARG 16 HE ARG 16 -6.341 -6.296 1.514 155 1HH1 ARG 16 1HH1 ARG 16 -3.028 -5.298 1.020 156 2HH1 ARG 16 2HH1 ARG 16 -2.498 -6.874 0.540 157 1HH2 ARG 16 1HH2 ARG 16 -5.637 -8.367 0.891 158 2HH2 ARG 16 2HH2 ARG 16 -3.976 -8.615 0.467 159 H ASN 17 HN ASN 17 -6.147 0.755 2.504 160 HA ASN 17 HA ASN 17 -4.586 1.973 0.555 161 1HB ASN 17 HB2 ASN 17 -6.507 2.723 2.551 162 2HB ASN 17 HB1 ASN 17 -5.274 3.917 2.410 163 1HD2 ASN 17 HD21 ASN 17 -7.331 5.041 1.745 164 2HD2 ASN 17 HD22 ASN 17 -7.661 5.057 0.058 165 HA PRO 18 HA PRO 18 -1.681 3.927 3.800 166 1HB PRO 18 HB2 PRO 18 -1.983 3.002 6.389 167 2HB PRO 18 HB1 PRO 18 -2.533 4.565 5.783 168 1HG PRO 18 HG2 PRO 18 -4.038 2.012 6.048 169 2HG PRO 18 HG1 PRO 18 -4.559 3.665 6.425 170 1HD PRO 18 HD2 PRO 18 -5.348 2.525 4.182 171 2HD PRO 18 HD1 PRO 18 -4.821 4.214 4.172 172 H ILE 19 HN ILE 19 -2.807 0.730 3.910 173 HA ILE 19 HA ILE 19 -0.412 -0.416 4.960 174 HB ILE 19 HB ILE 19 -2.736 -1.714 3.574 175 1HG1 ILE 19 HG12 ILE 19 -1.945 -1.353 6.459 176 2HG1 ILE 19 HG11 ILE 19 -3.372 -0.724 5.670 177 1HG2 ILE 19 HG21 ILE 19 -0.400 -2.967 5.015 178 2HG2 ILE 19 HG22 ILE 19 -0.774 -3.106 3.297 179 3HG2 ILE 19 HG23 ILE 19 -1.847 -3.831 4.494 180 1HD1 ILE 19 HD11 ILE 19 -3.218 -3.026 7.162 181 2HD1 ILE 19 HD12 ILE 19 -3.223 -3.611 5.497 182 3HD1 ILE 19 HD13 ILE 19 -4.527 -2.573 6.070 183 H LEU 20 HN LEU 20 -1.615 0.204 1.764 184 HA LEU 20 HA LEU 20 0.389 -1.320 0.413 185 1HB LEU 20 HB2 LEU 20 -0.369 -0.364 -1.606 186 2HB LEU 20 HB1 LEU 20 -1.792 -0.646 -0.628 187 HG LEU 20 HG LEU 20 -0.885 2.012 -0.149 188 1HD1 LEU 20 HD11 LEU 20 -0.676 2.994 -2.196 189 2HD1 LEU 20 HD12 LEU 20 -1.624 1.749 -3.009 190 3HD1 LEU 20 HD13 LEU 20 0.050 1.428 -2.557 191 1HD2 LEU 20 HD21 LEU 20 -3.140 0.952 0.070 192 2HD2 LEU 20 HD22 LEU 20 -3.294 1.113 -1.681 193 3HD2 LEU 20 HD23 LEU 20 -3.106 2.551 -0.674 194 H VAL 21 HN VAL 21 -0.115 1.913 1.510 195 HA VAL 21 HA VAL 21 2.076 3.252 0.499 196 HB VAL 21 HB VAL 21 0.428 3.340 2.954 197 1HG1 VAL 21 HG11 VAL 21 2.654 5.271 2.486 198 2HG1 VAL 21 HG12 VAL 21 2.827 3.807 3.460 199 3HG1 VAL 21 HG13 VAL 21 1.666 5.054 3.935 200 1HG2 VAL 21 HG21 VAL 21 -0.476 4.224 0.890 201 2HG2 VAL 21 HG22 VAL 21 0.899 5.326 0.739 202 3HG2 VAL 21 HG23 VAL 21 -0.245 5.516 2.072 203 H PHE 22 HN PHE 22 1.492 1.538 3.507 204 HA PHE 22 HA PHE 22 3.947 1.683 4.754 205 1HB PHE 22 HB2 PHE 22 2.490 0.749 6.172 206 2HB PHE 22 HB1 PHE 22 1.506 0.123 4.870 207 HD1 PHE 22 HD1 PHE 22 1.332 -2.023 4.595 208 HD2 PHE 22 HD2 PHE 22 4.758 -0.424 6.426 209 HE1 PHE 22 HE1 PHE 22 2.169 -4.311 4.954 210 HE2 PHE 22 HE2 PHE 22 5.638 -2.681 6.823 211 HZ PHE 22 HZ PHE 22 4.342 -4.648 6.068 212 H LEU 23 HN LEU 23 2.787 -0.250 2.126 213 HA LEU 23 HA LEU 23 5.187 -1.992 2.178 214 1HB LEU 23 HB2 LEU 23 2.947 -1.743 0.185 215 2HB LEU 23 HB1 LEU 23 4.341 -2.773 -0.079 216 HG LEU 23 HG LEU 23 3.482 -3.616 2.378 217 1HD1 LEU 23 HD11 LEU 23 1.482 -2.010 1.480 218 2HD1 LEU 23 HD12 LEU 23 1.295 -3.309 2.670 219 3HD1 LEU 23 HD13 LEU 23 0.932 -3.611 0.967 220 1HD2 LEU 23 HD21 LEU 23 3.636 -4.598 -0.290 221 2HD2 LEU 23 HD22 LEU 23 2.103 -5.126 0.403 222 3HD2 LEU 23 HD23 LEU 23 3.619 -5.512 1.218 223 H LYS 24 HN LYS 24 3.946 0.739 0.546 224 HA LYS 24 HA LYS 24 5.791 0.931 -1.551 225 1HB LYS 24 HB2 LYS 24 3.566 2.337 -0.476 226 2HB LYS 24 HB1 LYS 24 4.821 3.490 -0.801 227 1HG LYS 24 HG2 LYS 24 4.118 3.457 -2.912 228 2HG LYS 24 HG1 LYS 24 4.769 1.819 -3.000 229 1HD LYS 24 HD2 LYS 24 2.461 1.257 -1.825 230 2HD LYS 24 HD1 LYS 24 1.968 2.724 -2.681 231 1HE LYS 24 HE2 LYS 24 1.541 1.227 -4.334 232 2HE LYS 24 HE1 LYS 24 3.249 1.497 -4.674 233 1HZ LYS 24 HZ1 LYS 24 3.787 -0.568 -4.032 234 2HZ LYS 24 HZ2 LYS 24 2.154 -0.913 -4.306 235 3HZ LYS 24 HZ3 LYS 24 2.697 -0.584 -2.738 236 H THR 25 HN THR 25 5.635 2.260 1.649 237 HA THR 25 HA THR 25 7.976 3.807 1.514 238 HB THR 25 HB THR 25 6.345 4.419 3.130 239 HG1 THR 25 HG1 THR 25 8.260 3.142 4.750 240 1HG2 THR 25 HG21 THR 25 5.481 1.981 3.297 241 2HG2 THR 25 HG22 THR 25 5.321 3.073 4.676 242 3HG2 THR 25 HG23 THR 25 6.613 1.874 4.648 243 H ARG 26 HN ARG 26 7.189 0.579 2.776 244 HA ARG 26 HA ARG 26 9.697 -0.016 3.880 245 1HB ARG 26 HB2 ARG 26 7.559 -1.695 2.594 246 2HB ARG 26 HB1 ARG 26 9.007 -2.420 3.279 247 1HG ARG 26 HG2 ARG 26 6.781 -0.996 4.676 248 2HG ARG 26 HG1 ARG 26 7.408 -2.609 4.957 249 1HD ARG 26 HD2 ARG 26 9.567 -1.474 5.660 250 2HD ARG 26 HD1 ARG 26 8.641 0.026 5.672 251 HE ARG 26 HE ARG 26 8.184 -2.290 7.433 252 1HH1 ARG 26 1HH1 ARG 26 7.721 1.099 6.698 253 2HH1 ARG 26 2HH1 ARG 26 7.002 1.454 8.230 254 1HH2 ARG 26 1HH2 ARG 26 7.233 -1.816 9.439 255 2HH2 ARG 26 2HH2 ARG 26 6.723 -0.197 9.785 256 H VAL 27 HN VAL 27 8.400 -0.305 0.667 257 HA VAL 27 HA VAL 27 10.680 -1.487 -0.574 258 HB VAL 27 HB VAL 27 8.017 -0.445 -1.325 259 1HG1 VAL 27 HG11 VAL 27 10.302 -0.607 -3.241 260 2HG1 VAL 27 HG12 VAL 27 9.173 0.716 -2.959 261 3HG1 VAL 27 HG13 VAL 27 8.622 -0.756 -3.759 262 1HG2 VAL 27 HG21 VAL 27 7.660 -2.583 -2.165 263 2HG2 VAL 27 HG22 VAL 27 8.691 -2.854 -0.760 264 3HG2 VAL 27 HG23 VAL 27 9.384 -2.890 -2.382 265 H LEU 28 HN LEU 28 9.655 1.670 0.272 266 HA LEU 28 HA LEU 28 11.167 3.106 -1.649 267 1HB LEU 28 HB2 LEU 28 9.840 4.797 -1.028 268 2HB LEU 28 HB1 LEU 28 8.943 3.614 -0.147 269 HG LEU 28 HG LEU 28 10.148 4.151 1.882 270 1HD1 LEU 28 HD11 LEU 28 11.360 6.607 1.346 271 2HD1 LEU 28 HD12 LEU 28 11.916 5.528 0.066 272 3HD1 LEU 28 HD13 LEU 28 12.158 5.089 1.758 273 1HD2 LEU 28 HD21 LEU 28 8.424 5.531 2.159 274 2HD2 LEU 28 HD22 LEU 28 8.407 5.948 0.445 275 3HD2 LEU 28 HD23 LEU 28 9.451 6.832 1.557 276 H LYS 29 HN LYS 29 11.173 2.556 1.782 277 HA LYS 29 HA LYS 29 13.642 3.828 2.266 278 1HB LYS 29 HB2 LYS 29 13.521 3.015 4.500 279 2HB LYS 29 HB1 LYS 29 11.881 3.410 4.019 280 1HG LYS 29 HG2 LYS 29 11.643 1.406 5.136 281 2HG LYS 29 HG1 LYS 29 11.676 0.906 3.449 282 1HD LYS 29 HD2 LYS 29 13.340 -0.482 3.975 283 2HD LYS 29 HD1 LYS 29 14.352 0.932 4.267 284 1HE LYS 29 HE2 LYS 29 13.444 0.976 6.606 285 2HE LYS 29 HE1 LYS 29 12.683 -0.578 6.267 286 1HZ LYS 29 HZ1 LYS 29 15.409 -0.670 5.537 287 2HZ LYS 29 HZ2 LYS 29 14.587 -1.598 6.687 288 3HZ LYS 29 HZ3 LYS 29 15.277 -0.119 7.131 289 H ARG 30 HN ARG 30 12.698 0.802 1.115 290 HA ARG 30 HA ARG 30 15.183 -0.533 1.554 291 1HB ARG 30 HB2 ARG 30 12.575 -1.099 0.275 292 2HB ARG 30 HB1 ARG 30 13.928 -2.077 -0.220 293 1HG ARG 30 HG2 ARG 30 13.796 -1.824 2.633 294 2HG ARG 30 HG1 ARG 30 12.274 -2.409 1.980 295 1HD ARG 30 HD2 ARG 30 14.437 -3.767 0.689 296 2HD ARG 30 HD1 ARG 30 14.647 -3.871 2.437 297 HE ARG 30 HE ARG 30 12.040 -4.518 2.074 298 1HH1 ARG 30 1HH1 ARG 30 15.024 -5.702 0.707 299 2HH1 ARG 30 2HH1 ARG 30 14.422 -7.308 0.468 300 1HH2 ARG 30 1HH2 ARG 30 11.248 -6.629 1.766 301 2HH2 ARG 30 2HH2 ARG 30 12.278 -7.835 1.071 302 H TRP 31 HN TRP 31 13.527 1.323 -0.826 303 HA TRP 31 HA TRP 31 15.220 0.885 -3.019 304 1HB TRP 31 HB2 TRP 31 12.781 2.141 -2.392 305 2HB TRP 31 HB1 TRP 31 13.805 3.336 -3.080 306 HD1 TRP 31 HD1 TRP 31 11.994 0.287 -3.901 307 HE1 TRP 31 HE1 TRP 31 12.140 -0.133 -6.429 308 HE3 TRP 31 HE3 TRP 31 15.330 3.688 -4.798 309 HZ2 TRP 31 HZ2 TRP 31 13.612 0.972 -8.587 310 HZ3 TRP 31 HZ3 TRP 31 16.189 4.078 -7.132 311 HH2 TRP 31 HH2 TRP 31 15.330 2.717 -8.996 312 H ARG 32 HN ARG 32 14.780 3.225 -0.393 313 HA ARG 32 HA ARG 32 16.730 5.123 -1.053 314 1HB ARG 32 HB2 ARG 32 15.725 3.993 1.529 315 2HB ARG 32 HB1 ARG 32 16.636 5.504 1.414 316 1HG ARG 32 HG2 ARG 32 14.050 5.082 -0.054 317 2HG ARG 32 HG1 ARG 32 14.102 5.662 1.590 318 1HD ARG 32 HD2 ARG 32 15.634 6.902 -0.643 319 2HD ARG 32 HD1 ARG 32 13.985 7.375 -0.264 320 HE ARG 32 HE ARG 32 14.777 8.131 1.899 321 1HH1 ARG 32 1HH1 ARG 32 17.247 7.505 -0.501 322 2HH1 ARG 32 2HH1 ARG 32 18.417 8.521 0.268 323 1HH2 ARG 32 1HH2 ARG 32 16.322 9.461 2.900 324 2HH2 ARG 32 2HH2 ARG 32 17.895 9.628 2.195 325 H LEU 33 HN LEU 33 16.706 2.239 0.848 326 HA LEU 33 HA LEU 33 19.315 2.062 1.752 327 1HB LEU 33 HB2 LEU 33 16.924 0.364 1.325 328 2HB LEU 33 HB1 LEU 33 18.388 -0.408 1.770 329 HG LEU 33 HG LEU 33 16.484 0.639 3.409 330 1HD1 LEU 33 HD11 LEU 33 17.820 -1.100 4.225 331 2HD1 LEU 33 HD12 LEU 33 18.258 0.283 5.227 332 3HD1 LEU 33 HD13 LEU 33 19.312 -0.217 3.904 333 1HD2 LEU 33 HD21 LEU 33 17.266 2.550 4.473 334 2HD2 LEU 33 HD22 LEU 33 17.504 2.855 2.749 335 3HD2 LEU 33 HD23 LEU 33 18.873 2.388 3.759 336 H PHE 34 HN PHE 34 17.580 0.847 -0.930 337 HA PHE 34 HA PHE 34 19.727 -0.713 -2.016 338 1HB PHE 34 HB2 PHE 34 16.938 -0.253 -2.558 339 2HB PHE 34 HB1 PHE 34 17.884 -0.484 -4.001 340 HD1 PHE 34 HD1 PHE 34 18.516 -1.794 -0.710 341 HD2 PHE 34 HD2 PHE 34 17.196 -2.633 -4.638 342 HE1 PHE 34 HE1 PHE 34 18.617 -4.192 -0.218 343 HE2 PHE 34 HE2 PHE 34 17.276 -5.031 -4.175 344 HZ PHE 34 HZ PHE 34 17.991 -5.843 -1.951 345 H SER 35 HN SER 35 18.665 2.413 -2.073 346 HA SER 35 HA SER 35 20.133 3.047 -4.575 347 1HB SER 35 HB2 SER 35 17.760 4.138 -3.532 348 2HB SER 35 HB1 SER 35 18.981 5.391 -3.351 349 HG SER 35 HG SER 35 17.898 4.281 -5.644 350 H LYS 36 HN LYS 36 20.257 3.572 -1.112 351 HA LYS 36 HA LYS 36 22.388 5.503 -1.360 352 1HB LYS 36 HB2 LYS 36 22.118 5.924 0.857 353 2HB LYS 36 HB1 LYS 36 20.553 5.215 0.513 354 1HG LYS 36 HG2 LYS 36 21.230 3.115 1.452 355 2HG LYS 36 HG1 LYS 36 22.884 3.695 1.655 356 1HD LYS 36 HD2 LYS 36 21.631 3.755 3.764 357 2HD LYS 36 HD1 LYS 36 22.124 5.369 3.248 358 1HE LYS 36 HE2 LYS 36 19.821 5.588 2.210 359 2HE LYS 36 HE1 LYS 36 19.392 4.119 3.084 360 1HZ LYS 36 HZ1 LYS 36 18.799 5.582 4.660 361 2HZ LYS 36 HZ2 LYS 36 19.801 6.813 4.075 362 3HZ LYS 36 HZ3 LYS 36 20.447 5.583 5.041 363 H HIS 37 HN HIS 37 22.126 2.119 -1.039 364 HA HIS 37 HA HIS 37 24.766 1.659 -0.049 365 1HB HIS 37 HB2 HIS 37 22.436 0.081 -0.676 366 2HB HIS 37 HB1 HIS 37 23.874 -0.661 -1.349 367 HD1 HIS 37 HD1 HIS 37 24.958 -2.241 0.210 368 HD2 HIS 37 HD2 HIS 37 22.980 0.810 2.220 369 HE1 HIS 37 HE1 HIS 37 25.262 -2.741 2.656 370 HE2 HIS 37 HE2 HIS 37 23.981 -0.932 3.853 371 H GLU 38 HN GLU 38 23.223 1.283 -3.227 372 HA GLU 38 HA GLU 38 25.727 1.928 -4.524 373 1HB GLU 38 HB2 GLU 38 25.743 -0.088 -5.927 374 2HB GLU 38 HB1 GLU 38 25.949 -0.477 -4.225 375 1HG GLU 38 HG2 GLU 38 23.298 -0.736 -4.396 376 2HG GLU 38 HG1 GLU 38 23.726 -1.109 -6.065 Start of MODEL 18 1 1H VAL 1 HT1 VAL 1 -30.208 2.308 1.789 2 2H VAL 1 HT2 VAL 1 -29.006 2.397 3.010 3 3H VAL 1 HT3 VAL 1 -30.625 2.009 3.423 4 HA VAL 1 HA VAL 1 -30.519 -0.045 2.418 5 HB VAL 1 HB VAL 1 -28.419 -0.777 1.234 6 1HG1 VAL 1 HG11 VAL 1 -30.513 -0.137 0.071 7 2HG1 VAL 1 HG12 VAL 1 -29.060 0.172 -0.882 8 3HG1 VAL 1 HG13 VAL 1 -29.887 1.506 -0.078 9 1HG2 VAL 1 HG21 VAL 1 -27.844 2.176 1.386 10 2HG2 VAL 1 HG22 VAL 1 -27.058 1.086 0.243 11 3HG2 VAL 1 HG23 VAL 1 -26.845 0.848 1.977 12 H MET 2 HN MET 2 -28.906 -1.920 2.939 13 HA MET 2 HA MET 2 -28.230 -1.666 5.689 14 1HB MET 2 HB2 MET 2 -28.397 -3.799 3.653 15 2HB MET 2 HB1 MET 2 -27.263 -4.071 4.954 16 1HG MET 2 HG2 MET 2 -29.090 -3.664 6.574 17 2HG MET 2 HG1 MET 2 -30.200 -3.533 5.210 18 1HE MET 2 HE1 MET 2 -27.302 -5.450 6.406 19 2HE MET 2 HE2 MET 2 -27.437 -6.956 5.499 20 3HE MET 2 HE3 MET 2 -28.074 -6.855 7.140 21 HA PRO 3 HA PRO 3 -23.877 -0.924 5.127 22 1HB PRO 3 HB2 PRO 3 -23.048 -1.228 7.604 23 2HB PRO 3 HB1 PRO 3 -24.410 -0.146 7.321 24 1HG PRO 3 HG2 PRO 3 -24.458 -3.020 8.171 25 2HG PRO 3 HG1 PRO 3 -25.250 -1.630 8.949 26 1HD PRO 3 HD2 PRO 3 -26.501 -3.288 7.133 27 2HD PRO 3 HD1 PRO 3 -26.966 -1.596 7.412 28 H LYS 4 HN LYS 4 -21.895 -2.439 6.700 29 HA LYS 4 HA LYS 4 -20.664 -4.339 6.694 30 1HB LYS 4 HB2 LYS 4 -23.051 -5.347 7.006 31 2HB LYS 4 HB1 LYS 4 -22.855 -5.858 5.336 32 1HG LYS 4 HG2 LYS 4 -21.256 -7.392 5.843 33 2HG LYS 4 HG1 LYS 4 -20.648 -6.468 7.218 34 1HD LYS 4 HD2 LYS 4 -23.193 -7.112 8.014 35 2HD LYS 4 HD1 LYS 4 -22.705 -8.544 7.108 36 1HE LYS 4 HE2 LYS 4 -20.506 -7.798 8.711 37 2HE LYS 4 HE1 LYS 4 -21.937 -7.722 9.738 38 1HZ LYS 4 HZ1 LYS 4 -20.654 -10.020 8.516 39 2HZ LYS 4 HZ2 LYS 4 -22.345 -10.033 8.486 40 3HZ LYS 4 HZ3 LYS 4 -21.528 -9.906 9.962 41 H GLN 5 HN GLN 5 -22.309 -3.342 3.767 42 HA GLN 5 HA GLN 5 -20.306 -4.683 2.147 43 1HB GLN 5 HB2 GLN 5 -22.020 -4.875 0.696 44 2HB GLN 5 HB1 GLN 5 -23.031 -3.967 1.801 45 1HG GLN 5 HG2 GLN 5 -23.221 -2.754 -0.107 46 2HG GLN 5 HG1 GLN 5 -21.945 -1.885 0.705 47 1HE2 GLN 5 HE21 GLN 5 -19.937 -3.839 0.036 48 2HE2 GLN 5 HE22 GLN 5 -19.688 -3.695 -1.647 49 H ILE 6 HN ILE 6 -21.213 -1.612 3.357 50 HA ILE 6 HA ILE 6 -19.365 -0.176 1.692 51 HB ILE 6 HB ILE 6 -20.036 1.723 3.322 52 1HG1 ILE 6 HG12 ILE 6 -22.282 1.556 4.220 53 2HG1 ILE 6 HG11 ILE 6 -22.425 -0.097 3.681 54 1HG2 ILE 6 HG21 ILE 6 -21.883 2.274 1.854 55 2HG2 ILE 6 HG22 ILE 6 -21.948 0.594 1.315 56 3HG2 ILE 6 HG23 ILE 6 -20.530 1.581 0.957 57 1HD1 ILE 6 HD11 ILE 6 -21.241 -0.885 5.435 58 2HD1 ILE 6 HD12 ILE 6 -21.737 0.638 6.169 59 3HD1 ILE 6 HD13 ILE 6 -20.138 0.494 5.439 60 H VAL 7 HN VAL 7 -19.626 -1.649 4.801 61 HA VAL 7 HA VAL 7 -17.402 -0.352 6.042 62 HB VAL 7 HB VAL 7 -19.479 -1.649 7.081 63 1HG1 VAL 7 HG11 VAL 7 -18.940 -3.888 7.812 64 2HG1 VAL 7 HG12 VAL 7 -17.390 -3.821 6.973 65 3HG1 VAL 7 HG13 VAL 7 -18.894 -3.808 6.051 66 1HG2 VAL 7 HG21 VAL 7 -18.259 -1.821 9.137 67 2HG2 VAL 7 HG22 VAL 7 -17.755 -0.381 8.255 68 3HG2 VAL 7 HG23 VAL 7 -16.729 -1.814 8.261 69 H TYR 8 HN TYR 8 -18.142 -3.272 4.328 70 HA TYR 8 HA TYR 8 -15.694 -4.668 4.463 71 1HB TYR 8 HB2 TYR 8 -18.158 -5.032 3.223 72 2HB TYR 8 HB1 TYR 8 -17.037 -4.836 1.880 73 HD1 TYR 8 HD1 TYR 8 -16.619 -6.966 1.041 74 HD2 TYR 8 HD2 TYR 8 -16.581 -6.328 5.227 75 HE1 TYR 8 HE1 TYR 8 -15.780 -9.200 1.371 76 HE2 TYR 8 HE2 TYR 8 -15.748 -8.507 5.575 77 HH TYR 8 HH TYR 8 -15.618 -10.903 3.065 78 H TRP 9 HN TRP 9 -17.125 -2.364 2.219 79 HA TRP 9 HA TRP 9 -14.994 -2.075 0.399 80 1HB TRP 9 HB2 TRP 9 -17.451 -0.639 1.155 81 2HB TRP 9 HB1 TRP 9 -16.165 0.420 0.578 82 HD1 TRP 9 HD1 TRP 9 -18.886 -1.626 -0.647 83 HE1 TRP 9 HE1 TRP 9 -18.611 -1.912 -3.221 84 HE3 TRP 9 HE3 TRP 9 -14.226 0.006 -1.087 85 HZ2 TRP 9 HZ2 TRP 9 -16.647 -1.480 -5.159 86 HZ3 TRP 9 HZ3 TRP 9 -13.150 0.081 -3.309 87 HH2 TRP 9 HH2 TRP 9 -14.371 -0.665 -5.304 88 H LYS 10 HN LYS 10 -16.136 0.002 2.873 89 HA LYS 10 HA LYS 10 -14.089 1.802 3.150 90 1HB LYS 10 HB2 LYS 10 -16.144 2.168 4.287 91 2HB LYS 10 HB1 LYS 10 -16.011 0.650 5.161 92 1HG LYS 10 HG2 LYS 10 -13.750 2.013 5.904 93 2HG LYS 10 HG1 LYS 10 -14.981 3.270 5.814 94 1HD LYS 10 HD2 LYS 10 -16.243 2.341 7.497 95 2HD LYS 10 HD1 LYS 10 -15.644 0.709 7.182 96 1HE LYS 10 HE2 LYS 10 -13.369 2.018 7.944 97 2HE LYS 10 HE1 LYS 10 -14.592 2.799 8.945 98 1HZ LYS 10 HZ1 LYS 10 -14.768 -0.088 8.826 99 2HZ LYS 10 HZ2 LYS 10 -14.896 0.953 10.154 100 3HZ LYS 10 HZ3 LYS 10 -13.371 0.505 9.575 101 H GLN 11 HN GLN 11 -14.442 -1.284 4.887 102 HA GLN 11 HA GLN 11 -11.924 -0.936 6.220 103 1HB GLN 11 HB2 GLN 11 -12.346 -3.013 7.255 104 2HB GLN 11 HB1 GLN 11 -13.921 -2.260 7.100 105 1HG GLN 11 HG2 GLN 11 -14.432 -3.631 5.189 106 2HG GLN 11 HG1 GLN 11 -12.815 -4.305 5.199 107 1HE2 GLN 11 HE21 GLN 11 -13.429 -4.108 8.400 108 2HE2 GLN 11 HE22 GLN 11 -14.185 -5.638 8.649 109 H TRP 12 HN TRP 12 -12.487 -1.423 3.144 110 HA TRP 12 HA TRP 12 -10.206 -3.245 2.740 111 1HB TRP 12 HB2 TRP 12 -12.479 -3.787 1.718 112 2HB TRP 12 HB1 TRP 12 -12.233 -2.456 0.655 113 HD1 TRP 12 HD1 TRP 12 -11.411 -5.981 1.066 114 HE1 TRP 12 HE1 TRP 12 -9.740 -6.693 -0.739 115 HE3 TRP 12 HE3 TRP 12 -10.324 -1.461 -0.602 116 HZ2 TRP 12 HZ2 TRP 12 -8.151 -5.422 -2.700 117 HZ3 TRP 12 HZ3 TRP 12 -8.709 -1.167 -2.486 118 HH2 TRP 12 HH2 TRP 12 -7.634 -3.162 -3.516 119 H LEU 13 HN LEU 13 -11.561 -0.074 1.861 120 HA LEU 13 HA LEU 13 -9.077 0.516 0.441 121 1HB LEU 13 HB2 LEU 13 -10.213 2.039 -0.781 122 2HB LEU 13 HB1 LEU 13 -11.592 1.082 -0.289 123 HG LEU 13 HG LEU 13 -12.263 3.307 -0.001 124 1HD1 LEU 13 HD11 LEU 13 -13.051 3.183 2.082 125 2HD1 LEU 13 HD12 LEU 13 -11.441 3.099 2.794 126 3HD1 LEU 13 HD13 LEU 13 -12.197 1.643 2.149 127 1HD2 LEU 13 HD21 LEU 13 -10.084 4.197 1.758 128 2HD2 LEU 13 HD22 LEU 13 -10.945 5.060 0.484 129 3HD2 LEU 13 HD23 LEU 13 -9.643 3.945 0.069 130 H SER 14 HN SER 14 -10.459 0.885 3.494 131 HA SER 14 HA SER 14 -9.074 3.331 4.100 132 1HB SER 14 HB2 SER 14 -11.259 2.102 5.233 133 2HB SER 14 HB1 SER 14 -9.987 1.728 6.384 134 HG SER 14 HG SER 14 -9.930 3.750 6.973 135 H LEU 15 HN LEU 15 -8.772 -0.078 4.872 136 HA LEU 15 HA LEU 15 -6.302 0.323 6.252 137 1HB LEU 15 HB2 LEU 15 -7.658 -2.233 5.423 138 2HB LEU 15 HB1 LEU 15 -6.374 -2.055 6.600 139 HG LEU 15 HG LEU 15 -8.224 -2.247 7.965 140 1HD1 LEU 15 HD11 LEU 15 -7.015 -0.145 8.469 141 2HD1 LEU 15 HD12 LEU 15 -8.730 -0.059 8.879 142 3HD1 LEU 15 HD13 LEU 15 -8.135 0.713 7.406 143 1HD2 LEU 15 HD21 LEU 15 -9.526 -1.423 5.579 144 2HD2 LEU 15 HD22 LEU 15 -10.148 -0.471 6.937 145 3HD2 LEU 15 HD23 LEU 15 -10.211 -2.234 6.995 146 H ARG 16 HN ARG 16 -7.280 -1.561 3.425 147 HA ARG 16 HA ARG 16 -4.804 -2.316 2.519 148 1HB ARG 16 HB2 ARG 16 -7.284 -1.591 1.052 149 2HB ARG 16 HB1 ARG 16 -5.841 -1.954 0.143 150 1HG ARG 16 HG2 ARG 16 -7.353 -3.761 2.005 151 2HG ARG 16 HG1 ARG 16 -7.129 -3.939 0.265 152 1HD ARG 16 HD2 ARG 16 -4.638 -4.093 0.763 153 2HD ARG 16 HD1 ARG 16 -5.101 -4.280 2.455 154 HE ARG 16 HE ARG 16 -6.426 -6.114 0.682 155 1HH1 ARG 16 1HH1 ARG 16 -3.565 -5.551 2.601 156 2HH1 ARG 16 2HH1 ARG 16 -3.193 -7.235 2.765 157 1HH2 ARG 16 1HH2 ARG 16 -5.939 -8.328 0.898 158 2HH2 ARG 16 2HH2 ARG 16 -4.541 -8.811 1.798 159 H ASN 17 HN ASN 17 -6.242 0.782 2.361 160 HA ASN 17 HA ASN 17 -4.637 2.066 0.510 161 1HB ASN 17 HB2 ASN 17 -6.516 2.733 2.583 162 2HB ASN 17 HB1 ASN 17 -5.264 3.906 2.500 163 1HD2 ASN 17 HD21 ASN 17 -7.420 5.017 1.960 164 2HD2 ASN 17 HD22 ASN 17 -7.726 5.197 0.278 165 HA PRO 18 HA PRO 18 -1.761 3.742 3.972 166 1HB PRO 18 HB2 PRO 18 -2.053 2.478 6.419 167 2HB PRO 18 HB1 PRO 18 -2.622 4.102 6.020 168 1HG PRO 18 HG2 PRO 18 -4.091 1.517 5.954 169 2HG PRO 18 HG1 PRO 18 -4.640 3.106 6.515 170 1HD PRO 18 HD2 PRO 18 -5.389 2.216 4.145 171 2HD PRO 18 HD1 PRO 18 -4.906 3.907 4.342 172 H ILE 19 HN ILE 19 -2.848 0.519 3.765 173 HA ILE 19 HA ILE 19 -0.392 -0.713 4.634 174 HB ILE 19 HB ILE 19 -2.684 -1.906 3.090 175 1HG1 ILE 19 HG12 ILE 19 -1.986 -1.824 6.020 176 2HG1 ILE 19 HG11 ILE 19 -3.424 -1.186 5.252 177 1HG2 ILE 19 HG21 ILE 19 -1.526 -3.788 2.868 178 2HG2 ILE 19 HG22 ILE 19 -1.186 -3.823 4.597 179 3HG2 ILE 19 HG23 ILE 19 -0.107 -2.960 3.505 180 1HD1 ILE 19 HD11 ILE 19 -3.346 -3.929 4.649 181 2HD1 ILE 19 HD12 ILE 19 -4.470 -3.074 5.704 182 3HD1 ILE 19 HD13 ILE 19 -2.987 -3.763 6.367 183 H LEU 20 HN LEU 20 -1.667 0.314 1.606 184 HA LEU 20 HA LEU 20 0.329 -1.005 0.028 185 1HB LEU 20 HB2 LEU 20 -1.440 1.312 -0.786 186 2HB LEU 20 HB1 LEU 20 -0.525 0.280 -1.864 187 HG LEU 20 HG LEU 20 -3.152 -0.136 -0.638 188 1HD1 LEU 20 HD11 LEU 20 -1.703 -0.879 -3.133 189 2HD1 LEU 20 HD12 LEU 20 -3.220 -0.004 -2.929 190 3HD1 LEU 20 HD13 LEU 20 -3.170 -1.750 -2.686 191 1HD2 LEU 20 HD21 LEU 20 -1.158 -2.392 -0.758 192 2HD2 LEU 20 HD22 LEU 20 -2.903 -2.611 -0.618 193 3HD2 LEU 20 HD23 LEU 20 -2.011 -1.794 0.666 194 H VAL 21 HN VAL 21 -0.241 2.111 1.436 195 HA VAL 21 HA VAL 21 1.942 3.508 0.368 196 HB VAL 21 HB VAL 21 0.258 3.562 2.809 197 1HG1 VAL 21 HG11 VAL 21 2.535 5.453 2.351 198 2HG1 VAL 21 HG12 VAL 21 2.556 4.077 3.459 199 3HG1 VAL 21 HG13 VAL 21 1.433 5.417 3.731 200 1HG2 VAL 21 HG21 VAL 21 0.686 5.550 0.589 201 2HG2 VAL 21 HG22 VAL 21 -0.450 5.736 1.929 202 3HG2 VAL 21 HG23 VAL 21 -0.664 4.425 0.762 203 H PHE 22 HN PHE 22 1.315 1.795 3.359 204 HA PHE 22 HA PHE 22 3.750 1.927 4.652 205 1HB PHE 22 HB2 PHE 22 2.235 0.968 6.023 206 2HB PHE 22 HB1 PHE 22 1.306 0.343 4.685 207 HD1 PHE 22 HD1 PHE 22 1.224 -1.791 4.298 208 HD2 PHE 22 HD2 PHE 22 4.471 -0.168 6.408 209 HE1 PHE 22 HE1 PHE 22 2.098 -4.068 4.630 210 HE2 PHE 22 HE2 PHE 22 5.387 -2.417 6.787 211 HZ PHE 22 HZ PHE 22 4.202 -4.386 5.873 212 H LEU 23 HN LEU 23 2.721 0.053 1.905 213 HA LEU 23 HA LEU 23 5.175 -1.563 2.123 214 1HB LEU 23 HB2 LEU 23 3.964 -3.220 1.241 215 2HB LEU 23 HB1 LEU 23 2.556 -2.162 1.319 216 HG LEU 23 HG LEU 23 4.292 -1.843 -1.027 217 1HD1 LEU 23 HD11 LEU 23 3.912 -3.829 -2.027 218 2HD1 LEU 23 HD12 LEU 23 2.299 -3.970 -1.330 219 3HD1 LEU 23 HD13 LEU 23 3.713 -4.418 -0.377 220 1HD2 LEU 23 HD21 LEU 23 2.459 -0.906 -1.858 221 2HD2 LEU 23 HD22 LEU 23 2.004 -0.847 -0.147 222 3HD2 LEU 23 HD23 LEU 23 1.396 -2.151 -1.182 223 H LYS 24 HN LYS 24 4.060 1.255 0.716 224 HA LYS 24 HA LYS 24 5.575 1.196 -1.670 225 1HB LYS 24 HB2 LYS 24 3.880 2.668 -2.038 226 2HB LYS 24 HB1 LYS 24 3.510 2.744 -0.364 227 1HG LYS 24 HG2 LYS 24 5.894 4.192 -1.032 228 2HG LYS 24 HG1 LYS 24 4.445 4.804 -1.820 229 1HD LYS 24 HD2 LYS 24 3.479 5.415 0.151 230 2HD LYS 24 HD1 LYS 24 4.263 4.107 1.043 231 1HE LYS 24 HE2 LYS 24 6.344 5.306 1.081 232 2HE LYS 24 HE1 LYS 24 5.695 6.555 0.019 233 1HZ LYS 24 HZ1 LYS 24 4.880 5.987 2.815 234 2HZ LYS 24 HZ2 LYS 24 4.062 7.063 1.798 235 3HZ LYS 24 HZ3 LYS 24 5.666 7.370 2.239 236 H THR 25 HN THR 25 5.603 2.537 1.546 237 HA THR 25 HA THR 25 7.989 4.019 1.286 238 HB THR 25 HB THR 25 6.348 4.639 2.958 239 HG1 THR 25 HG1 THR 25 7.847 5.223 4.299 240 1HG2 THR 25 HG21 THR 25 5.572 2.294 3.443 241 2HG2 THR 25 HG22 THR 25 5.766 3.353 4.839 242 3HG2 THR 25 HG23 THR 25 6.989 2.135 4.480 243 H ARG 26 HN ARG 26 7.221 0.837 2.748 244 HA ARG 26 HA ARG 26 9.741 0.221 3.739 245 1HB ARG 26 HB2 ARG 26 7.574 -1.436 2.486 246 2HB ARG 26 HB1 ARG 26 9.041 -2.182 3.112 247 1HG ARG 26 HG2 ARG 26 6.872 -0.757 4.604 248 2HG ARG 26 HG1 ARG 26 7.499 -2.381 4.848 249 1HD ARG 26 HD2 ARG 26 9.710 -1.197 5.435 250 2HD ARG 26 HD1 ARG 26 8.713 0.249 5.601 251 HE ARG 26 HE ARG 26 8.854 -1.976 7.409 252 1HH1 ARG 26 1HH1 ARG 26 6.842 0.634 6.261 253 2HH1 ARG 26 2HH1 ARG 26 5.896 0.709 7.710 254 1HH2 ARG 26 1HH2 ARG 26 7.612 -1.879 9.316 255 2HH2 ARG 26 2HH2 ARG 26 6.334 -0.717 9.445 256 H VAL 27 HN VAL 27 8.434 -0.052 0.527 257 HA VAL 27 HA VAL 27 10.682 -1.263 -0.735 258 HB VAL 27 HB VAL 27 8.044 -0.150 -1.460 259 1HG1 VAL 27 HG11 VAL 27 10.308 -0.301 -3.413 260 2HG1 VAL 27 HG12 VAL 27 9.245 1.058 -3.051 261 3HG1 VAL 27 HG13 VAL 27 8.614 -0.353 -3.900 262 1HG2 VAL 27 HG21 VAL 27 8.304 -2.509 -1.011 263 2HG2 VAL 27 HG22 VAL 27 9.552 -2.639 -2.252 264 3HG2 VAL 27 HG23 VAL 27 7.888 -2.268 -2.709 265 H LEU 28 HN LEU 28 9.759 1.906 0.135 266 HA LEU 28 HA LEU 28 11.312 3.342 -1.751 267 1HB LEU 28 HB2 LEU 28 10.022 5.051 -1.101 268 2HB LEU 28 HB1 LEU 28 9.080 3.855 -0.287 269 HG LEU 28 HG LEU 28 10.268 4.311 1.797 270 1HD1 LEU 28 HD11 LEU 28 12.016 5.801 0.036 271 2HD1 LEU 28 HD12 LEU 28 12.285 5.233 1.683 272 3HD1 LEU 28 HD13 LEU 28 11.469 6.771 1.404 273 1HD2 LEU 28 HD21 LEU 28 8.327 5.847 0.583 274 2HD2 LEU 28 HD22 LEU 28 9.496 7.038 1.154 275 3HD2 LEU 28 HD23 LEU 28 8.777 5.895 2.288 276 H LYS 29 HN LYS 29 11.301 2.709 1.657 277 HA LYS 29 HA LYS 29 13.787 3.926 2.209 278 1HB LYS 29 HB2 LYS 29 13.594 3.090 4.419 279 2HB LYS 29 HB1 LYS 29 11.958 3.472 3.910 280 1HG LYS 29 HG2 LYS 29 11.470 1.155 3.531 281 2HG LYS 29 HG1 LYS 29 13.153 0.710 3.833 282 1HD LYS 29 HD2 LYS 29 12.434 2.123 6.098 283 2HD LYS 29 HD1 LYS 29 10.983 1.194 5.710 284 1HE LYS 29 HE2 LYS 29 12.772 -0.741 5.392 285 2HE LYS 29 HE1 LYS 29 13.686 0.262 6.518 286 1HZ LYS 29 HZ1 LYS 29 10.907 -0.260 7.209 287 2HZ LYS 29 HZ2 LYS 29 12.274 -0.186 8.202 288 3HZ LYS 29 HZ3 LYS 29 11.959 -1.583 7.300 289 H ARG 30 HN ARG 30 12.764 0.957 1.001 290 HA ARG 30 HA ARG 30 15.188 -0.476 1.454 291 1HB ARG 30 HB2 ARG 30 12.586 -0.917 0.119 292 2HB ARG 30 HB1 ARG 30 13.909 -1.939 -0.369 293 1HG ARG 30 HG2 ARG 30 13.715 -1.715 2.493 294 2HG ARG 30 HG1 ARG 30 12.208 -2.269 1.781 295 1HD ARG 30 HD2 ARG 30 14.861 -3.499 1.087 296 2HD ARG 30 HD1 ARG 30 13.894 -4.061 2.450 297 HE ARG 30 HE ARG 30 12.445 -3.964 -0.029 298 1HH1 ARG 30 1HH1 ARG 30 14.556 -5.890 1.973 299 2HH1 ARG 30 2HH1 ARG 30 14.042 -7.395 1.286 300 1HH2 ARG 30 1HH2 ARG 30 11.767 -5.941 -0.935 301 2HH2 ARG 30 2HH2 ARG 30 12.459 -7.423 -0.365 302 H TRP 31 HN TRP 31 13.658 1.506 -0.890 303 HA TRP 31 HA TRP 31 15.318 1.062 -3.100 304 1HB TRP 31 HB2 TRP 31 12.946 2.393 -2.432 305 2HB TRP 31 HB1 TRP 31 14.019 3.584 -3.052 306 HD1 TRP 31 HD1 TRP 31 12.078 0.670 -4.030 307 HE1 TRP 31 HE1 TRP 31 12.226 0.359 -6.575 308 HE3 TRP 31 HE3 TRP 31 15.591 3.934 -4.751 309 HZ2 TRP 31 HZ2 TRP 31 13.773 1.482 -8.671 310 HZ3 TRP 31 HZ3 TRP 31 16.488 4.385 -7.059 311 HH2 TRP 31 HH2 TRP 31 15.578 3.155 -8.989 312 H ARG 32 HN ARG 32 15.002 3.369 -0.386 313 HA ARG 32 HA ARG 32 17.092 5.122 -1.070 314 1HB ARG 32 HB2 ARG 32 15.995 4.109 1.518 315 2HB ARG 32 HB1 ARG 32 17.093 5.489 1.410 316 1HG ARG 32 HG2 ARG 32 15.456 6.668 0.052 317 2HG ARG 32 HG1 ARG 32 14.374 5.293 0.140 318 1HD ARG 32 HD2 ARG 32 13.624 6.819 1.763 319 2HD ARG 32 HD1 ARG 32 14.439 5.513 2.617 320 HE ARG 32 HE ARG 32 16.395 7.345 2.315 321 1HH1 ARG 32 1HH1 ARG 32 13.142 7.543 3.562 322 2HH1 ARG 32 2HH1 ARG 32 13.508 8.827 4.664 323 1HH2 ARG 32 1HH2 ARG 32 16.879 9.035 3.765 324 2HH2 ARG 32 2HH2 ARG 32 15.629 9.674 4.779 325 H LEU 33 HN LEU 33 16.890 2.354 0.998 326 HA LEU 33 HA LEU 33 19.462 1.947 1.834 327 1HB LEU 33 HB2 LEU 33 16.956 0.424 1.403 328 2HB LEU 33 HB1 LEU 33 18.367 -0.456 1.838 329 HG LEU 33 HG LEU 33 16.557 0.723 3.506 330 1HD1 LEU 33 HD11 LEU 33 18.356 -1.147 3.830 331 2HD1 LEU 33 HD12 LEU 33 17.757 -0.244 5.221 332 3HD1 LEU 33 HD13 LEU 33 19.312 0.173 4.503 333 1HD2 LEU 33 HD21 LEU 33 17.454 2.588 4.528 334 2HD2 LEU 33 HD22 LEU 33 17.789 2.853 2.815 335 3HD2 LEU 33 HD23 LEU 33 19.067 2.278 3.884 336 H PHE 34 HN PHE 34 17.687 0.851 -0.876 337 HA PHE 34 HA PHE 34 19.680 -0.870 -1.944 338 1HB PHE 34 HB2 PHE 34 17.035 0.017 -2.642 339 2HB PHE 34 HB1 PHE 34 18.037 -0.273 -4.033 340 HD1 PHE 34 HD1 PHE 34 18.215 -1.844 -0.796 341 HD2 PHE 34 HD2 PHE 34 17.110 -2.255 -4.856 342 HE1 PHE 34 HE1 PHE 34 17.932 -4.250 -0.462 343 HE2 PHE 34 HE2 PHE 34 16.808 -4.660 -4.551 344 HZ PHE 34 HZ PHE 34 17.215 -5.692 -2.341 345 H SER 35 HN SER 35 18.940 2.371 -1.917 346 HA SER 35 HA SER 35 20.727 2.974 -4.202 347 1HB SER 35 HB2 SER 35 18.438 4.290 -3.322 348 2HB SER 35 HB1 SER 35 19.764 5.346 -2.838 349 HG SER 35 HG SER 35 18.746 5.316 -5.148 350 H LYS 36 HN LYS 36 20.735 3.040 -0.708 351 HA LYS 36 HA LYS 36 23.068 4.755 -0.599 352 1HB LYS 36 HB2 LYS 36 22.011 3.046 1.641 353 2HB LYS 36 HB1 LYS 36 23.026 4.475 1.769 354 1HG LYS 36 HG2 LYS 36 21.020 5.691 0.681 355 2HG LYS 36 HG1 LYS 36 20.118 4.264 1.193 356 1HD LYS 36 HD2 LYS 36 21.858 5.779 3.100 357 2HD LYS 36 HD1 LYS 36 20.178 6.241 2.802 358 1HE LYS 36 HE2 LYS 36 19.370 4.500 3.959 359 2HE LYS 36 HE1 LYS 36 20.559 3.386 3.281 360 1HZ LYS 36 HZ1 LYS 36 22.084 3.885 4.926 361 2HZ LYS 36 HZ2 LYS 36 20.627 3.913 5.784 362 3HZ LYS 36 HZ3 LYS 36 21.361 5.364 5.317 363 H HIS 37 HN HIS 37 22.295 1.403 -0.336 364 HA HIS 37 HA HIS 37 24.884 0.472 0.342 365 1HB HIS 37 HB2 HIS 37 22.305 -0.673 -0.171 366 2HB HIS 37 HB1 HIS 37 23.517 -1.559 -1.075 367 HD1 HIS 37 HD1 HIS 37 24.454 -3.455 0.203 368 HD2 HIS 37 HD2 HIS 37 23.272 -0.340 2.686 369 HE1 HIS 37 HE1 HIS 37 24.914 -4.252 2.545 370 HE2 HIS 37 HE2 HIS 37 24.121 -2.381 4.035 371 H GLU 38 HN GLU 38 23.213 0.962 -2.717 372 HA GLU 38 HA GLU 38 23.869 0.718 -4.889 373 1HB GLU 38 HB2 GLU 38 26.093 1.856 -5.352 374 2HB GLU 38 HB1 GLU 38 24.876 2.817 -4.527 375 1HG GLU 38 HG2 GLU 38 25.982 2.466 -2.409 376 2HG GLU 38 HG1 GLU 38 27.161 1.401 -3.174 Start of MODEL 19 1 1H VAL 1 HT1 VAL 1 -29.902 2.815 1.829 2 2H VAL 1 HT2 VAL 1 -28.951 3.001 3.246 3 3H VAL 1 HT3 VAL 1 -30.596 2.525 3.370 4 HA VAL 1 HA VAL 1 -30.216 0.445 2.631 5 HB VAL 1 HB VAL 1 -28.003 -0.189 1.566 6 1HG1 VAL 1 HG11 VAL 1 -30.335 0.951 0.465 7 2HG1 VAL 1 HG12 VAL 1 -29.193 -0.148 -0.307 8 3HG1 VAL 1 HG13 VAL 1 -28.971 1.596 -0.447 9 1HG2 VAL 1 HG21 VAL 1 -27.719 2.795 1.619 10 2HG2 VAL 1 HG22 VAL 1 -26.931 1.826 0.374 11 3HG2 VAL 1 HG23 VAL 1 -26.548 1.557 2.074 12 H MET 2 HN MET 2 -28.738 -1.306 3.451 13 HA MET 2 HA MET 2 -27.940 -0.678 6.118 14 1HB MET 2 HB2 MET 2 -28.345 -3.089 4.450 15 2HB MET 2 HB1 MET 2 -27.215 -3.237 5.772 16 1HG MET 2 HG2 MET 2 -30.078 -2.369 5.985 17 2HG MET 2 HG1 MET 2 -29.441 -3.954 6.421 18 1HE MET 2 HE1 MET 2 -30.182 -3.761 9.372 19 2HE MET 2 HE2 MET 2 -31.167 -2.895 8.194 20 3HE MET 2 HE3 MET 2 -30.603 -2.071 9.648 21 HA PRO 3 HA PRO 3 -23.560 -0.536 5.357 22 1HB PRO 3 HB2 PRO 3 -22.565 -1.130 7.723 23 2HB PRO 3 HB1 PRO 3 -23.814 0.110 7.637 24 1HG PRO 3 HG2 PRO 3 -24.121 -2.800 8.290 25 2HG PRO 3 HG1 PRO 3 -24.685 -1.395 9.225 26 1HD PRO 3 HD2 PRO 3 -26.259 -2.762 7.424 27 2HD PRO 3 HD1 PRO 3 -26.499 -1.054 7.849 28 H LYS 4 HN LYS 4 -21.635 -2.394 6.658 29 HA LYS 4 HA LYS 4 -20.646 -4.418 6.414 30 1HB LYS 4 HB2 LYS 4 -23.108 -5.190 6.737 31 2HB LYS 4 HB1 LYS 4 -23.050 -5.514 5.011 32 1HG LYS 4 HG2 LYS 4 -20.859 -6.809 5.646 33 2HG LYS 4 HG1 LYS 4 -21.609 -6.854 7.243 34 1HD LYS 4 HD2 LYS 4 -22.630 -8.703 6.482 35 2HD LYS 4 HD1 LYS 4 -23.691 -7.574 5.637 36 1HE LYS 4 HE2 LYS 4 -22.809 -8.054 3.615 37 2HE LYS 4 HE1 LYS 4 -21.175 -8.233 4.254 38 1HZ LYS 4 HZ1 LYS 4 -22.381 -10.364 5.315 39 2HZ LYS 4 HZ2 LYS 4 -21.554 -10.392 3.840 40 3HZ LYS 4 HZ3 LYS 4 -23.237 -10.231 3.861 41 H GLN 5 HN GLN 5 -22.299 -2.970 3.695 42 HA GLN 5 HA GLN 5 -20.472 -4.289 1.851 43 1HB GLN 5 HB2 GLN 5 -22.218 -4.234 0.445 44 2HB GLN 5 HB1 GLN 5 -23.158 -3.461 1.700 45 1HG GLN 5 HG2 GLN 5 -23.324 -2.194 -0.350 46 2HG GLN 5 HG1 GLN 5 -22.489 -1.287 0.858 47 1HE2 GLN 5 HE21 GLN 5 -21.733 -3.438 -1.782 48 2HE2 GLN 5 HE22 GLN 5 -20.379 -2.531 -2.283 49 H ILE 6 HN ILE 6 -21.147 -1.271 3.296 50 HA ILE 6 HA ILE 6 -19.236 0.150 1.690 51 HB ILE 6 HB ILE 6 -19.780 1.987 3.435 52 1HG1 ILE 6 HG12 ILE 6 -22.027 1.897 4.346 53 2HG1 ILE 6 HG11 ILE 6 -22.269 0.289 3.714 54 1HG2 ILE 6 HG21 ILE 6 -21.606 2.729 2.022 55 2HG2 ILE 6 HG22 ILE 6 -21.773 1.089 1.389 56 3HG2 ILE 6 HG23 ILE 6 -20.302 2.013 1.070 57 1HD1 ILE 6 HD11 ILE 6 -21.524 0.837 6.233 58 2HD1 ILE 6 HD12 ILE 6 -19.940 0.647 5.481 59 3HD1 ILE 6 HD13 ILE 6 -21.118 -0.666 5.407 60 H VAL 7 HN VAL 7 -19.559 -1.504 4.690 61 HA VAL 7 HA VAL 7 -17.278 -0.412 6.014 62 HB VAL 7 HB VAL 7 -19.427 -1.661 6.957 63 1HG1 VAL 7 HG11 VAL 7 -19.008 -3.966 7.547 64 2HG1 VAL 7 HG12 VAL 7 -17.446 -3.923 6.729 65 3HG1 VAL 7 HG13 VAL 7 -18.935 -3.778 5.795 66 1HG2 VAL 7 HG21 VAL 7 -16.766 -2.170 8.218 67 2HG2 VAL 7 HG22 VAL 7 -18.316 -1.872 9.005 68 3HG2 VAL 7 HG23 VAL 7 -17.502 -0.571 8.137 69 H TYR 8 HN TYR 8 -18.153 -3.178 4.111 70 HA TYR 8 HA TYR 8 -15.770 -4.691 4.200 71 1HB TYR 8 HB2 TYR 8 -18.230 -4.924 2.956 72 2HB TYR 8 HB1 TYR 8 -17.126 -4.661 1.610 73 HD1 TYR 8 HD1 TYR 8 -16.756 -6.734 0.623 74 HD2 TYR 8 HD2 TYR 8 -16.661 -6.388 4.842 75 HE1 TYR 8 HE1 TYR 8 -15.959 -9.002 0.788 76 HE2 TYR 8 HE2 TYR 8 -15.867 -8.601 5.030 77 HH TYR 8 HH TYR 8 -14.639 -10.399 2.455 78 H TRP 9 HN TRP 9 -17.052 -2.172 2.099 79 HA TRP 9 HA TRP 9 -14.857 -1.942 0.323 80 1HB TRP 9 HB2 TRP 9 -17.294 -0.470 1.028 81 2HB TRP 9 HB1 TRP 9 -15.959 0.589 0.571 82 HD1 TRP 9 HD1 TRP 9 -18.579 -1.490 -0.856 83 HE1 TRP 9 HE1 TRP 9 -18.213 -1.609 -3.435 84 HE3 TRP 9 HE3 TRP 9 -14.008 0.382 -1.032 85 HZ2 TRP 9 HZ2 TRP 9 -16.206 -0.972 -5.273 86 HZ3 TRP 9 HZ3 TRP 9 -12.852 0.638 -3.210 87 HH2 TRP 9 HH2 TRP 9 -13.968 -0.048 -5.286 88 H LYS 10 HN LYS 10 -16.003 0.051 2.860 89 HA LYS 10 HA LYS 10 -13.910 1.774 3.259 90 1HB LYS 10 HB2 LYS 10 -15.963 2.151 4.392 91 2HB LYS 10 HB1 LYS 10 -15.894 0.584 5.183 92 1HG LYS 10 HG2 LYS 10 -13.598 1.833 6.026 93 2HG LYS 10 HG1 LYS 10 -14.791 3.128 5.991 94 1HD LYS 10 HD2 LYS 10 -15.745 0.609 7.156 95 2HD LYS 10 HD1 LYS 10 -14.442 1.386 8.058 96 1HE LYS 10 HE2 LYS 10 -16.847 2.928 7.140 97 2HE LYS 10 HE1 LYS 10 -16.868 2.006 8.643 98 1HZ LYS 10 HZ1 LYS 10 -14.608 3.367 8.941 99 2HZ LYS 10 HZ2 LYS 10 -16.107 3.939 9.474 100 3HZ LYS 10 HZ3 LYS 10 -15.475 4.473 7.999 101 H GLN 11 HN GLN 11 -14.385 -1.382 4.855 102 HA GLN 11 HA GLN 11 -11.865 -1.186 6.217 103 1HB GLN 11 HB2 GLN 11 -12.344 -3.323 7.106 104 2HB GLN 11 HB1 GLN 11 -13.897 -2.517 6.999 105 1HG GLN 11 HG2 GLN 11 -14.438 -3.736 4.993 106 2HG GLN 11 HG1 GLN 11 -12.839 -4.455 4.962 107 1HE2 GLN 11 HE21 GLN 11 -13.457 -4.475 8.165 108 2HE2 GLN 11 HE22 GLN 11 -14.260 -5.995 8.301 109 H TRP 12 HN TRP 12 -12.423 -1.496 3.111 110 HA TRP 12 HA TRP 12 -10.148 -3.303 2.620 111 1HB TRP 12 HB2 TRP 12 -12.422 -3.803 1.580 112 2HB TRP 12 HB1 TRP 12 -12.178 -2.427 0.575 113 HD1 TRP 12 HD1 TRP 12 -11.356 -5.967 0.831 114 HE1 TRP 12 HE1 TRP 12 -9.684 -6.600 -1.003 115 HE3 TRP 12 HE3 TRP 12 -10.266 -1.379 -0.638 116 HZ2 TRP 12 HZ2 TRP 12 -8.093 -5.246 -2.905 117 HZ3 TRP 12 HZ3 TRP 12 -8.650 -1.004 -2.507 118 HH2 TRP 12 HH2 TRP 12 -7.575 -2.952 -3.623 119 H LEU 13 HN LEU 13 -11.510 -0.100 1.880 120 HA LEU 13 HA LEU 13 -9.027 0.567 0.492 121 1HB LEU 13 HB2 LEU 13 -11.216 1.140 -0.562 122 2HB LEU 13 HB1 LEU 13 -11.554 2.202 0.792 123 HG LEU 13 HG LEU 13 -9.063 3.046 -0.142 124 1HD1 LEU 13 HD11 LEU 13 -9.566 1.636 -2.168 125 2HD1 LEU 13 HD12 LEU 13 -9.250 3.342 -2.481 126 3HD1 LEU 13 HD13 LEU 13 -10.906 2.733 -2.498 127 1HD2 LEU 13 HD21 LEU 13 -10.134 5.075 -0.490 128 2HD2 LEU 13 HD22 LEU 13 -11.171 4.283 0.696 129 3HD2 LEU 13 HD23 LEU 13 -11.637 4.309 -1.005 130 H SER 14 HN SER 14 -10.341 0.709 3.574 131 HA SER 14 HA SER 14 -9.033 3.191 4.275 132 1HB SER 14 HB2 SER 14 -11.192 1.896 5.377 133 2HB SER 14 HB1 SER 14 -9.904 1.457 6.487 134 HG SER 14 HG SER 14 -10.420 4.121 5.677 135 H LEU 15 HN LEU 15 -8.704 -0.246 4.889 136 HA LEU 15 HA LEU 15 -6.214 0.098 6.249 137 1HB LEU 15 HB2 LEU 15 -7.554 -2.425 5.302 138 2HB LEU 15 HB1 LEU 15 -6.264 -2.292 6.477 139 HG LEU 15 HG LEU 15 -8.100 -2.581 7.843 140 1HD1 LEU 15 HD11 LEU 15 -8.052 0.407 7.449 141 2HD1 LEU 15 HD12 LEU 15 -6.913 -0.496 8.452 142 3HD1 LEU 15 HD13 LEU 15 -8.625 -0.454 8.880 143 1HD2 LEU 15 HD21 LEU 15 -9.436 -1.664 5.516 144 2HD2 LEU 15 HD22 LEU 15 -10.050 -0.768 6.914 145 3HD2 LEU 15 HD23 LEU 15 -10.103 -2.532 6.907 146 H ARG 16 HN ARG 16 -7.204 -1.662 3.347 147 HA ARG 16 HA ARG 16 -4.726 -2.316 2.369 148 1HB ARG 16 HB2 ARG 16 -7.257 -1.606 0.981 149 2HB ARG 16 HB1 ARG 16 -5.829 -1.933 0.038 150 1HG ARG 16 HG2 ARG 16 -7.273 -3.787 1.905 151 2HG ARG 16 HG1 ARG 16 -7.091 -3.937 0.156 152 1HD ARG 16 HD2 ARG 16 -4.538 -3.951 0.732 153 2HD ARG 16 HD1 ARG 16 -5.107 -4.435 2.326 154 HE ARG 16 HE ARG 16 -5.691 -5.929 -0.151 155 1HH1 ARG 16 1HH1 ARG 16 -4.967 -5.861 3.274 156 2HH1 ARG 16 2HH1 ARG 16 -4.987 -7.583 3.430 157 1HH2 ARG 16 1HH2 ARG 16 -5.713 -8.187 0.069 158 2HH2 ARG 16 2HH2 ARG 16 -5.409 -8.902 1.617 159 H ASN 17 HN ASN 17 -6.203 0.760 2.428 160 HA ASN 17 HA ASN 17 -4.711 2.110 0.518 161 1HB ASN 17 HB2 ASN 17 -6.566 2.714 2.620 162 2HB ASN 17 HB1 ASN 17 -5.345 3.922 2.524 163 1HD2 ASN 17 HD21 ASN 17 -7.475 5.032 2.013 164 2HD2 ASN 17 HD22 ASN 17 -7.834 5.188 0.338 165 HA PRO 18 HA PRO 18 -1.710 3.875 3.759 166 1HB PRO 18 HB2 PRO 18 -1.905 2.833 6.307 167 2HB PRO 18 HB1 PRO 18 -2.517 4.408 5.795 168 1HG PRO 18 HG2 PRO 18 -3.944 1.800 5.976 169 2HG PRO 18 HG1 PRO 18 -4.490 3.411 6.477 170 1HD PRO 18 HD2 PRO 18 -5.344 2.399 4.198 171 2HD PRO 18 HD1 PRO 18 -4.843 4.095 4.271 172 H ILE 19 HN ILE 19 -2.816 0.665 3.770 173 HA ILE 19 HA ILE 19 -0.377 -0.520 4.700 174 HB ILE 19 HB ILE 19 -2.738 -1.756 3.305 175 1HG1 ILE 19 HG12 ILE 19 -1.881 -1.537 6.184 176 2HG1 ILE 19 HG11 ILE 19 -3.334 -0.890 5.461 177 1HG2 ILE 19 HG21 ILE 19 -1.514 -3.592 3.016 178 2HG2 ILE 19 HG22 ILE 19 -1.343 -3.710 4.766 179 3HG2 ILE 19 HG23 ILE 19 -0.133 -2.849 3.820 180 1HD1 ILE 19 HD11 ILE 19 -3.621 -3.541 4.947 181 2HD1 ILE 19 HD12 ILE 19 -4.315 -2.693 6.329 182 3HD1 ILE 19 HD13 ILE 19 -2.788 -3.560 6.502 183 H LEU 20 HN LEU 20 -1.622 0.349 1.593 184 HA LEU 20 HA LEU 20 0.368 -1.162 0.152 185 1HB LEU 20 HB2 LEU 20 -0.469 -0.210 -1.838 186 2HB LEU 20 HB1 LEU 20 -1.858 -0.539 -0.829 187 HG LEU 20 HG LEU 20 -1.000 2.146 -0.363 188 1HD1 LEU 20 HD11 LEU 20 -0.984 3.146 -2.435 189 2HD1 LEU 20 HD12 LEU 20 -1.798 1.788 -3.213 190 3HD1 LEU 20 HD13 LEU 20 -0.098 1.657 -2.764 191 1HD2 LEU 20 HD21 LEU 20 -3.218 1.089 -0.024 192 2HD2 LEU 20 HD22 LEU 20 -3.448 1.134 -1.773 193 3HD2 LEU 20 HD23 LEU 20 -3.262 2.637 -0.866 194 H VAL 21 HN VAL 21 -0.180 2.075 1.269 195 HA VAL 21 HA VAL 21 2.017 3.421 0.216 196 HB VAL 21 HB VAL 21 0.324 3.585 2.644 197 1HG1 VAL 21 HG11 VAL 21 2.610 5.431 2.087 198 2HG1 VAL 21 HG12 VAL 21 2.625 4.114 3.263 199 3HG1 VAL 21 HG13 VAL 21 1.510 5.472 3.468 200 1HG2 VAL 21 HG21 VAL 21 -0.572 4.354 0.531 201 2HG2 VAL 21 HG22 VAL 21 0.780 5.478 0.347 202 3HG2 VAL 21 HG23 VAL 21 -0.383 5.701 1.657 203 H PHE 22 HN PHE 22 1.403 1.833 3.280 204 HA PHE 22 HA PHE 22 3.828 2.070 4.567 205 1HB PHE 22 HB2 PHE 22 2.299 1.195 5.980 206 2HB PHE 22 HB1 PHE 22 1.402 0.462 4.673 207 HD1 PHE 22 HD1 PHE 22 1.236 -1.656 4.606 208 HD2 PHE 22 HD2 PHE 22 4.628 0.083 6.359 209 HE1 PHE 22 HE1 PHE 22 2.050 -3.912 5.196 210 HE2 PHE 22 HE2 PHE 22 5.497 -2.129 6.961 211 HZ PHE 22 HZ PHE 22 4.204 -4.147 6.359 212 H LEU 23 HN LEU 23 2.750 0.015 2.028 213 HA LEU 23 HA LEU 23 5.072 -1.784 2.071 214 1HB LEU 23 HB2 LEU 23 2.764 -1.379 0.186 215 2HB LEU 23 HB1 LEU 23 4.153 -2.316 -0.322 216 HG LEU 23 HG LEU 23 2.009 -3.421 0.756 217 1HD1 LEU 23 HD11 LEU 23 3.863 -5.070 1.817 218 2HD1 LEU 23 HD12 LEU 23 4.869 -4.111 0.730 219 3HD1 LEU 23 HD13 LEU 23 3.483 -4.998 0.096 220 1HD2 LEU 23 HD21 LEU 23 3.614 -3.430 3.202 221 2HD2 LEU 23 HD22 LEU 23 1.863 -3.398 2.986 222 3HD2 LEU 23 HD23 LEU 23 2.802 -1.909 2.828 223 H LYS 24 HN LYS 24 3.966 0.979 0.455 224 HA LYS 24 HA LYS 24 5.873 1.154 -1.594 225 1HB LYS 24 HB2 LYS 24 3.611 2.555 -0.605 226 2HB LYS 24 HB1 LYS 24 4.856 3.715 -0.917 227 1HG LYS 24 HG2 LYS 24 4.268 3.629 -3.057 228 2HG LYS 24 HG1 LYS 24 4.844 1.960 -3.079 229 1HD LYS 24 HD2 LYS 24 2.725 1.462 -3.628 230 2HD LYS 24 HD1 LYS 24 2.446 1.645 -1.890 231 1HE LYS 24 HE2 LYS 24 1.055 3.337 -2.281 232 2HE LYS 24 HE1 LYS 24 2.339 4.223 -3.101 233 1HZ LYS 24 HZ1 LYS 24 1.513 3.720 -5.105 234 2HZ LYS 24 HZ2 LYS 24 0.075 3.396 -4.276 235 3HZ LYS 24 HZ3 LYS 24 1.121 2.130 -4.679 236 H THR 25 HN THR 25 5.589 2.587 1.563 237 HA THR 25 HA THR 25 7.938 4.121 1.462 238 HB THR 25 HB THR 25 6.306 4.761 3.058 239 HG1 THR 25 HG1 THR 25 8.563 4.719 3.803 240 1HG2 THR 25 HG21 THR 25 6.493 2.197 4.561 241 2HG2 THR 25 HG22 THR 25 5.369 2.358 3.208 242 3HG2 THR 25 HG23 THR 25 5.238 3.436 4.602 243 H ARG 26 HN ARG 26 7.146 0.912 2.780 244 HA ARG 26 HA ARG 26 9.654 0.350 3.908 245 1HB ARG 26 HB2 ARG 26 7.521 -1.363 2.661 246 2HB ARG 26 HB1 ARG 26 8.971 -2.069 3.365 247 1HG ARG 26 HG2 ARG 26 6.732 -0.624 4.720 248 2HG ARG 26 HG1 ARG 26 7.391 -2.214 5.060 249 1HD ARG 26 HD2 ARG 26 9.559 -0.871 5.617 250 2HD ARG 26 HD1 ARG 26 8.438 0.480 5.787 251 HE ARG 26 HE ARG 26 7.571 -1.803 7.255 252 1HH1 ARG 26 1HH1 ARG 26 9.804 0.878 7.342 253 2HH1 ARG 26 2HH1 ARG 26 9.888 0.913 9.071 254 1HH2 ARG 26 1HH2 ARG 26 7.681 -1.757 9.530 255 2HH2 ARG 26 2HH2 ARG 26 8.683 -0.581 10.313 256 H VAL 27 HN VAL 27 8.366 -0.021 0.698 257 HA VAL 27 HA VAL 27 10.637 -1.235 -0.521 258 HB VAL 27 HB VAL 27 7.998 -0.167 -1.295 259 1HG1 VAL 27 HG11 VAL 27 9.202 1.012 -2.902 260 2HG1 VAL 27 HG12 VAL 27 8.592 -0.423 -3.723 261 3HG1 VAL 27 HG13 VAL 27 10.280 -0.345 -3.220 262 1HG2 VAL 27 HG21 VAL 27 9.534 -2.661 -2.001 263 2HG2 VAL 27 HG22 VAL 27 7.878 -2.316 -2.501 264 3HG2 VAL 27 HG23 VAL 27 8.261 -2.509 -0.789 265 H LEU 28 HN LEU 28 9.668 1.950 0.271 266 HA LEU 28 HA LEU 28 11.214 3.353 -1.649 267 1HB LEU 28 HB2 LEU 28 9.908 5.067 -1.038 268 2HB LEU 28 HB1 LEU 28 8.982 3.887 -0.187 269 HG LEU 28 HG LEU 28 10.151 4.410 1.875 270 1HD1 LEU 28 HD11 LEU 28 11.370 6.849 1.429 271 2HD1 LEU 28 HD12 LEU 28 11.915 5.848 0.082 272 3HD1 LEU 28 HD13 LEU 28 12.175 5.311 1.742 273 1HD2 LEU 28 HD21 LEU 28 9.398 7.122 1.131 274 2HD2 LEU 28 HD22 LEU 28 8.679 6.030 2.314 275 3HD2 LEU 28 HD23 LEU 28 8.223 5.912 0.615 276 H LYS 29 HN LYS 29 11.224 2.785 1.766 277 HA LYS 29 HA LYS 29 13.705 4.042 2.278 278 1HB LYS 29 HB2 LYS 29 13.530 3.230 4.516 279 2HB LYS 29 HB1 LYS 29 11.911 3.680 4.006 280 1HG LYS 29 HG2 LYS 29 11.362 1.347 3.612 281 2HG LYS 29 HG1 LYS 29 13.004 0.873 4.056 282 1HD LYS 29 HD2 LYS 29 12.237 2.366 6.212 283 2HD LYS 29 HD1 LYS 29 10.724 1.587 5.748 284 1HE LYS 29 HE2 LYS 29 11.445 -0.463 6.350 285 2HE LYS 29 HE1 LYS 29 13.085 -0.167 5.774 286 1HZ LYS 29 HZ1 LYS 29 12.477 -0.359 8.337 287 2HZ LYS 29 HZ2 LYS 29 12.248 1.305 8.144 288 3HZ LYS 29 HZ3 LYS 29 13.745 0.610 7.774 289 H ARG 30 HN ARG 30 12.688 1.031 1.163 290 HA ARG 30 HA ARG 30 15.126 -0.373 1.655 291 1HB ARG 30 HB2 ARG 30 12.521 -0.883 0.348 292 2HB ARG 30 HB1 ARG 30 13.853 -1.911 -0.101 293 1HG ARG 30 HG2 ARG 30 13.661 -1.583 2.749 294 2HG ARG 30 HG1 ARG 30 12.151 -2.165 2.063 295 1HD ARG 30 HD2 ARG 30 14.640 -3.465 1.122 296 2HD ARG 30 HD1 ARG 30 14.144 -3.803 2.779 297 HE ARG 30 HE ARG 30 11.888 -4.180 1.274 298 1HH1 ARG 30 1HH1 ARG 30 15.119 -5.501 1.282 299 2HH1 ARG 30 2HH1 ARG 30 14.627 -7.039 0.658 300 1HH2 ARG 30 1HH2 ARG 30 11.239 -6.205 0.453 301 2HH2 ARG 30 2HH2 ARG 30 12.425 -7.439 0.188 302 H TRP 31 HN TRP 31 13.552 1.516 -0.741 303 HA TRP 31 HA TRP 31 15.187 1.013 -2.948 304 1HB TRP 31 HB2 TRP 31 12.844 2.390 -2.291 305 2HB TRP 31 HB1 TRP 31 13.928 3.557 -2.939 306 HD1 TRP 31 HD1 TRP 31 11.938 0.657 -3.857 307 HE1 TRP 31 HE1 TRP 31 12.072 0.297 -6.396 308 HE3 TRP 31 HE3 TRP 31 15.501 3.849 -4.651 309 HZ2 TRP 31 HZ2 TRP 31 13.628 1.355 -8.518 310 HZ3 TRP 31 HZ3 TRP 31 16.398 4.241 -6.970 311 HH2 TRP 31 HH2 TRP 31 15.460 2.991 -8.874 312 H ARG 32 HN ARG 32 14.952 3.377 -0.278 313 HA ARG 32 HA ARG 32 17.052 5.101 -1.029 314 1HB ARG 32 HB2 ARG 32 16.011 4.113 1.588 315 2HB ARG 32 HB1 ARG 32 17.114 5.486 1.447 316 1HG ARG 32 HG2 ARG 32 15.450 6.675 0.137 317 2HG ARG 32 HG1 ARG 32 14.362 5.308 0.244 318 1HD ARG 32 HD2 ARG 32 13.564 6.564 1.954 319 2HD ARG 32 HD1 ARG 32 14.753 5.586 2.803 320 HE ARG 32 HE ARG 32 16.179 7.759 2.132 321 1HH1 ARG 32 1HH1 ARG 32 13.058 7.405 3.656 322 2HH1 ARG 32 2HH1 ARG 32 13.189 8.881 4.551 323 1HH2 ARG 32 1HH2 ARG 32 16.348 9.704 3.308 324 2HH2 ARG 32 2HH2 ARG 32 15.055 10.186 4.354 325 H LEU 33 HN LEU 33 16.838 2.263 0.926 326 HA LEU 33 HA LEU 33 19.456 1.895 1.759 327 1HB LEU 33 HB2 LEU 33 16.926 0.385 1.445 328 2HB LEU 33 HB1 LEU 33 18.335 -0.474 1.909 329 HG LEU 33 HG LEU 33 16.551 0.789 3.538 330 1HD1 LEU 33 HD11 LEU 33 17.681 -0.249 5.195 331 2HD1 LEU 33 HD12 LEU 33 19.228 0.437 4.701 332 3HD1 LEU 33 HD13 LEU 33 18.580 -0.971 3.860 333 1HD2 LEU 33 HD21 LEU 33 17.630 2.911 2.761 334 2HD2 LEU 33 HD22 LEU 33 19.067 2.404 3.651 335 3HD2 LEU 33 HD23 LEU 33 17.549 2.682 4.510 336 H PHE 34 HN PHE 34 17.562 0.799 -0.868 337 HA PHE 34 HA PHE 34 19.523 -0.985 -1.953 338 1HB PHE 34 HB2 PHE 34 16.811 -0.206 -2.516 339 2HB PHE 34 HB1 PHE 34 17.734 -0.532 -3.953 340 HD1 PHE 34 HD1 PHE 34 16.836 -2.586 -4.624 341 HD2 PHE 34 HD2 PHE 34 18.158 -1.928 -0.664 342 HE1 PHE 34 HE1 PHE 34 16.638 -4.981 -4.181 343 HE2 PHE 34 HE2 PHE 34 17.973 -4.322 -0.188 344 HZ PHE 34 HZ PHE 34 17.202 -5.881 -1.948 345 H SER 35 HN SER 35 18.781 2.241 -1.998 346 HA SER 35 HA SER 35 20.345 2.762 -4.464 347 1HB SER 35 HB2 SER 35 18.132 4.113 -3.399 348 2HB SER 35 HB1 SER 35 19.500 5.187 -3.131 349 HG SER 35 HG SER 35 18.699 4.032 -5.592 350 H LYS 36 HN LYS 36 20.509 3.192 -0.987 351 HA LYS 36 HA LYS 36 22.828 4.861 -1.072 352 1HB LYS 36 HB2 LYS 36 22.874 4.704 1.282 353 2HB LYS 36 HB1 LYS 36 21.186 4.746 0.821 354 1HG LYS 36 HG2 LYS 36 21.252 3.151 2.486 355 2HG LYS 36 HG1 LYS 36 21.282 2.188 1.014 356 1HD LYS 36 HD2 LYS 36 23.966 2.774 1.638 357 2HD LYS 36 HD1 LYS 36 23.191 2.310 3.152 358 1HE LYS 36 HE2 LYS 36 22.572 0.628 0.808 359 2HE LYS 36 HE1 LYS 36 24.230 0.548 1.402 360 1HZ LYS 36 HZ1 LYS 36 23.319 -1.010 2.735 361 2HZ LYS 36 HZ2 LYS 36 21.762 -0.353 2.657 362 3HZ LYS 36 HZ3 LYS 36 22.916 0.332 3.685 363 H HIS 37 HN HIS 37 22.278 1.544 -1.334 364 HA HIS 37 HA HIS 37 24.889 0.680 -0.537 365 1HB HIS 37 HB2 HIS 37 23.670 -1.150 -0.256 366 2HB HIS 37 HB1 HIS 37 22.324 -0.510 -1.129 367 HD1 HIS 37 HD1 HIS 37 25.141 -2.900 -1.428 368 HD2 HIS 37 HD2 HIS 37 22.217 -1.208 -3.838 369 HE1 HIS 37 HE1 HIS 37 25.087 -4.321 -3.504 370 HE2 HIS 37 HE2 HIS 37 23.233 -3.344 -4.906 371 H GLU 38 HN GLU 38 23.091 0.542 -3.570 372 HA GLU 38 HA GLU 38 23.784 0.320 -5.742 373 1HB GLU 38 HB2 GLU 38 25.422 2.198 -6.380 374 2HB GLU 38 HB1 GLU 38 23.856 2.650 -5.724 375 1HG GLU 38 HG2 GLU 38 24.854 3.036 -3.547 376 2HG GLU 38 HG1 GLU 38 26.426 2.528 -4.164 Start of MODEL 20 1 1H VAL 1 HT1 VAL 1 -30.581 1.724 3.847 2 2H VAL 1 HT2 VAL 1 -29.866 1.225 5.326 3 3H VAL 1 HT3 VAL 1 -31.236 0.395 4.709 4 HA VAL 1 HA VAL 1 -30.088 -0.657 3.116 5 HB VAL 1 HB VAL 1 -27.737 0.089 2.479 6 1HG1 VAL 1 HG11 VAL 1 -29.527 2.297 1.702 7 2HG1 VAL 1 HG12 VAL 1 -30.142 0.670 1.412 8 3HG1 VAL 1 HG13 VAL 1 -28.608 1.172 0.702 9 1HG2 VAL 1 HG21 VAL 1 -27.110 2.370 2.924 10 2HG2 VAL 1 HG22 VAL 1 -27.418 1.553 4.456 11 3HG2 VAL 1 HG23 VAL 1 -28.620 2.657 3.789 12 H MET 2 HN MET 2 -28.655 -2.385 3.381 13 HA MET 2 HA MET 2 -27.906 -2.924 6.080 14 1HB MET 2 HB2 MET 2 -28.072 -4.380 3.508 15 2HB MET 2 HB1 MET 2 -26.925 -4.987 4.677 16 1HG MET 2 HG2 MET 2 -29.860 -4.576 5.140 17 2HG MET 2 HG1 MET 2 -29.064 -6.122 4.856 18 1HE MET 2 HE1 MET 2 -30.154 -4.489 8.704 19 2HE MET 2 HE2 MET 2 -30.735 -4.165 7.071 20 3HE MET 2 HE3 MET 2 -29.446 -3.178 7.760 21 HA PRO 3 HA PRO 3 -23.617 -1.829 5.550 22 1HB PRO 3 HB2 PRO 3 -22.726 -2.491 7.933 23 2HB PRO 3 HB1 PRO 3 -24.135 -1.434 7.848 24 1HG PRO 3 HG2 PRO 3 -24.050 -4.404 8.235 25 2HG PRO 3 HG1 PRO 3 -24.891 -3.190 9.226 26 1HD PRO 3 HD2 PRO 3 -26.083 -4.606 7.171 27 2HD PRO 3 HD1 PRO 3 -26.639 -3.018 7.737 28 H LYS 4 HN LYS 4 -21.549 -3.500 6.826 29 HA LYS 4 HA LYS 4 -20.256 -5.332 6.504 30 1HB LYS 4 HB2 LYS 4 -22.573 -6.479 6.703 31 2HB LYS 4 HB1 LYS 4 -22.448 -6.669 4.961 32 1HG LYS 4 HG2 LYS 4 -20.292 -7.609 6.825 33 2HG LYS 4 HG1 LYS 4 -21.679 -8.614 6.402 34 1HD LYS 4 HD2 LYS 4 -20.650 -7.559 3.989 35 2HD LYS 4 HD1 LYS 4 -19.275 -8.148 4.926 36 1HE LYS 4 HE2 LYS 4 -19.962 -10.317 4.830 37 2HE LYS 4 HE1 LYS 4 -21.671 -9.887 4.781 38 1HZ LYS 4 HZ1 LYS 4 -20.315 -10.774 2.673 39 2HZ LYS 4 HZ2 LYS 4 -20.110 -9.110 2.462 40 3HZ LYS 4 HZ3 LYS 4 -21.667 -9.765 2.550 41 H GLN 5 HN GLN 5 -22.017 -3.985 3.789 42 HA GLN 5 HA GLN 5 -19.990 -4.948 1.945 43 1HB GLN 5 HB2 GLN 5 -21.730 -4.995 0.514 44 2HB GLN 5 HB1 GLN 5 -22.753 -4.323 1.766 45 1HG GLN 5 HG2 GLN 5 -23.051 -2.843 0.074 46 2HG GLN 5 HG1 GLN 5 -21.803 -2.043 0.992 47 1HE2 GLN 5 HE21 GLN 5 -19.717 -3.768 -0.013 48 2HE2 GLN 5 HE22 GLN 5 -19.515 -3.345 -1.654 49 H ILE 6 HN ILE 6 -21.010 -2.149 3.636 50 HA ILE 6 HA ILE 6 -19.275 -0.386 2.178 51 HB ILE 6 HB ILE 6 -19.962 1.194 4.119 52 1HG1 ILE 6 HG12 ILE 6 -22.184 0.793 5.010 53 2HG1 ILE 6 HG11 ILE 6 -22.271 -0.758 4.215 54 1HG2 ILE 6 HG21 ILE 6 -20.504 1.414 1.770 55 2HG2 ILE 6 HG22 ILE 6 -21.858 1.905 2.793 56 3HG2 ILE 6 HG23 ILE 6 -21.879 0.331 1.990 57 1HD1 ILE 6 HD11 ILE 6 -19.972 -0.359 6.009 58 2HD1 ILE 6 HD12 ILE 6 -21.020 -1.764 5.804 59 3HD1 ILE 6 HD13 ILE 6 -21.557 -0.398 6.780 60 H VAL 7 HN VAL 7 -19.370 -2.313 5.045 61 HA VAL 7 HA VAL 7 -17.141 -1.126 6.383 62 HB VAL 7 HB VAL 7 -19.143 -2.627 7.289 63 1HG1 VAL 7 HG11 VAL 7 -18.531 -4.598 5.950 64 2HG1 VAL 7 HG12 VAL 7 -18.509 -4.926 7.683 65 3HG1 VAL 7 HG13 VAL 7 -16.995 -4.686 6.811 66 1HG2 VAL 7 HG21 VAL 7 -16.435 -3.062 8.460 67 2HG2 VAL 7 HG22 VAL 7 -17.981 -2.844 9.281 68 3HG2 VAL 7 HG23 VAL 7 -17.214 -1.482 8.468 69 H TYR 8 HN TYR 8 -17.852 -3.801 4.300 70 HA TYR 8 HA TYR 8 -15.371 -5.122 4.161 71 1HB TYR 8 HB2 TYR 8 -17.894 -5.136 2.740 72 2HB TYR 8 HB1 TYR 8 -16.548 -5.201 1.606 73 HD1 TYR 8 HD1 TYR 8 -14.550 -6.649 3.100 74 HD2 TYR 8 HD2 TYR 8 -18.722 -7.318 2.843 75 HE1 TYR 8 HE1 TYR 8 -14.197 -8.908 3.682 76 HE2 TYR 8 HE2 TYR 8 -18.388 -9.635 3.412 77 HH TYR 8 HH TYR 8 -15.403 -11.159 3.334 78 H TRP 9 HN TRP 9 -16.938 -2.557 2.328 79 HA TRP 9 HA TRP 9 -14.881 -1.913 0.510 80 1HB TRP 9 HB2 TRP 9 -17.359 -0.712 1.554 81 2HB TRP 9 HB1 TRP 9 -16.125 0.481 1.141 82 HD1 TRP 9 HD1 TRP 9 -18.803 -1.433 -0.360 83 HE1 TRP 9 HE1 TRP 9 -18.585 -1.267 -2.951 84 HE3 TRP 9 HE3 TRP 9 -14.220 0.438 -0.609 85 HZ2 TRP 9 HZ2 TRP 9 -16.692 -0.434 -4.825 86 HZ3 TRP 9 HZ3 TRP 9 -13.206 0.932 -2.807 87 HH2 TRP 9 HH2 TRP 9 -14.452 0.485 -4.876 88 H LYS 10 HN LYS 10 -16.014 -0.333 3.329 89 HA LYS 10 HA LYS 10 -14.043 1.485 3.885 90 1HB LYS 10 HB2 LYS 10 -15.767 1.746 5.359 91 2HB LYS 10 HB1 LYS 10 -16.069 0.028 5.456 92 1HG LYS 10 HG2 LYS 10 -15.324 1.250 7.569 93 2HG LYS 10 HG1 LYS 10 -14.547 -0.283 7.175 94 1HD LYS 10 HD2 LYS 10 -12.551 0.669 6.956 95 2HD LYS 10 HD1 LYS 10 -13.195 1.993 5.984 96 1HE LYS 10 HE2 LYS 10 -13.097 1.777 8.988 97 2HE LYS 10 HE1 LYS 10 -12.275 2.954 7.964 98 1HZ LYS 10 HZ1 LYS 10 -14.733 3.495 7.273 99 2HZ LYS 10 HZ2 LYS 10 -14.044 4.181 8.655 100 3HZ LYS 10 HZ3 LYS 10 -15.078 2.852 8.800 101 H GLN 11 HN GLN 11 -14.158 -1.842 5.128 102 HA GLN 11 HA GLN 11 -11.557 -1.627 6.295 103 1HB GLN 11 HB2 GLN 11 -11.827 -3.885 6.961 104 2HB GLN 11 HB1 GLN 11 -13.419 -3.162 7.085 105 1HG GLN 11 HG2 GLN 11 -14.080 -4.177 5.000 106 2HG GLN 11 HG1 GLN 11 -12.462 -4.809 4.761 107 1HE2 GLN 11 HE21 GLN 11 -12.805 -5.192 7.982 108 2HE2 GLN 11 HE22 GLN 11 -13.528 -6.758 8.018 109 H TRP 12 HN TRP 12 -12.319 -1.636 3.222 110 HA TRP 12 HA TRP 12 -9.995 -3.241 2.376 111 1HB TRP 12 HB2 TRP 12 -12.309 -3.771 1.448 112 2HB TRP 12 HB1 TRP 12 -12.223 -2.282 0.590 113 HD1 TRP 12 HD1 TRP 12 -11.181 -5.767 0.389 114 HE1 TRP 12 HE1 TRP 12 -9.617 -6.088 -1.614 115 HE3 TRP 12 HE3 TRP 12 -10.474 -0.984 -0.632 116 HZ2 TRP 12 HZ2 TRP 12 -8.256 -4.435 -3.457 117 HZ3 TRP 12 HZ3 TRP 12 -9.028 -0.306 -2.552 118 HH2 TRP 12 HH2 TRP 12 -7.928 -2.048 -3.948 119 H LEU 13 HN LEU 13 -11.574 -0.064 2.103 120 HA LEU 13 HA LEU 13 -9.238 0.880 0.619 121 1HB LEU 13 HB2 LEU 13 -10.539 2.499 -0.276 122 2HB LEU 13 HB1 LEU 13 -11.827 1.394 0.151 123 HG LEU 13 HG LEU 13 -12.600 3.488 0.834 124 1HD1 LEU 13 HD11 LEU 13 -11.528 2.961 3.494 125 2HD1 LEU 13 HD12 LEU 13 -12.228 1.549 2.709 126 3HD1 LEU 13 HD13 LEU 13 -13.194 3.003 2.924 127 1HD2 LEU 13 HD21 LEU 13 -11.351 5.246 1.461 128 2HD2 LEU 13 HD22 LEU 13 -10.027 4.297 0.787 129 3HD2 LEU 13 HD23 LEU 13 -10.331 4.277 2.524 130 H SER 14 HN SER 14 -10.381 0.691 3.777 131 HA SER 14 HA SER 14 -9.085 3.107 4.653 132 1HB SER 14 HB2 SER 14 -11.105 1.576 5.743 133 2HB SER 14 HB1 SER 14 -9.718 1.121 6.720 134 HG SER 14 HG SER 14 -10.087 2.914 7.740 135 H LEU 15 HN LEU 15 -8.569 -0.361 4.891 136 HA LEU 15 HA LEU 15 -6.017 -0.029 6.118 137 1HB LEU 15 HB2 LEU 15 -7.291 -2.505 4.978 138 2HB LEU 15 HB1 LEU 15 -5.927 -2.431 6.072 139 HG LEU 15 HG LEU 15 -7.645 -2.971 7.513 140 1HD1 LEU 15 HD11 LEU 15 -8.188 -1.004 8.820 141 2HD1 LEU 15 HD12 LEU 15 -7.762 0.041 7.462 142 3HD1 LEU 15 HD13 LEU 15 -6.512 -0.906 8.275 143 1HD2 LEU 15 HD21 LEU 15 -9.185 -1.868 5.402 144 2HD2 LEU 15 HD22 LEU 15 -9.737 -1.172 6.934 145 3HD2 LEU 15 HD23 LEU 15 -9.708 -2.925 6.721 146 H ARG 16 HN ARG 16 -7.109 -1.517 3.104 147 HA ARG 16 HA ARG 16 -4.679 -1.945 1.915 148 1HB ARG 16 HB2 ARG 16 -7.317 -1.205 0.763 149 2HB ARG 16 HB1 ARG 16 -5.939 -1.356 -0.294 150 1HG ARG 16 HG2 ARG 16 -7.182 -3.474 1.431 151 2HG ARG 16 HG1 ARG 16 -7.110 -3.418 -0.330 152 1HD ARG 16 HD2 ARG 16 -4.531 -3.380 0.065 153 2HD ARG 16 HD1 ARG 16 -4.957 -4.040 1.643 154 HE ARG 16 HE ARG 16 -4.953 -5.427 -0.837 155 1HH1 ARG 16 1HH1 ARG 16 -6.631 -5.217 2.215 156 2HH1 ARG 16 2HH1 ARG 16 -7.184 -6.857 2.167 157 1HH2 ARG 16 1HH2 ARG 16 -5.674 -7.585 -0.900 158 2HH2 ARG 16 2HH2 ARG 16 -6.640 -8.202 0.399 159 H ASN 17 HN ASN 17 -6.271 1.040 2.386 160 HA ASN 17 HA ASN 17 -4.929 2.641 0.560 161 1HB ASN 17 HB2 ASN 17 -6.694 2.945 2.809 162 2HB ASN 17 HB1 ASN 17 -5.537 4.215 2.768 163 1HD2 ASN 17 HD21 ASN 17 -7.774 5.226 2.481 164 2HD2 ASN 17 HD22 ASN 17 -8.221 5.533 0.848 165 HA PRO 18 HA PRO 18 -1.770 4.204 3.737 166 1HB PRO 18 HB2 PRO 18 -1.799 2.990 6.217 167 2HB PRO 18 HB1 PRO 18 -2.447 4.590 5.848 168 1HG PRO 18 HG2 PRO 18 -3.851 1.968 5.949 169 2HG PRO 18 HG1 PRO 18 -4.372 3.542 6.581 170 1HD PRO 18 HD2 PRO 18 -5.361 2.665 4.302 171 2HD PRO 18 HD1 PRO 18 -4.866 4.357 4.449 172 H ILE 19 HN ILE 19 -2.822 0.978 3.576 173 HA ILE 19 HA ILE 19 -0.331 -0.220 4.306 174 HB ILE 19 HB ILE 19 -2.749 -1.372 2.941 175 1HG1 ILE 19 HG12 ILE 19 -1.704 -1.383 5.764 176 2HG1 ILE 19 HG11 ILE 19 -3.231 -0.751 5.197 177 1HG2 ILE 19 HG21 ILE 19 -0.105 -2.471 3.160 178 2HG2 ILE 19 HG22 ILE 19 -1.535 -3.161 2.396 179 3HG2 ILE 19 HG23 ILE 19 -1.233 -3.436 4.110 180 1HD1 ILE 19 HD11 ILE 19 -4.045 -2.983 4.768 181 2HD1 ILE 19 HD12 ILE 19 -3.482 -2.850 6.434 182 3HD1 ILE 19 HD13 ILE 19 -2.484 -3.664 5.228 183 H LEU 20 HN LEU 20 -1.720 0.886 1.335 184 HA LEU 20 HA LEU 20 0.198 -0.489 -0.319 185 1HB LEU 20 HB2 LEU 20 -0.675 0.689 -2.174 186 2HB LEU 20 HB1 LEU 20 -2.041 0.262 -1.167 187 HG LEU 20 HG LEU 20 -1.145 2.874 -0.433 188 1HD1 LEU 20 HD11 LEU 20 -0.298 3.535 -2.426 189 2HD1 LEU 20 HD12 LEU 20 -2.006 3.758 -2.802 190 3HD1 LEU 20 HD13 LEU 20 -1.171 2.297 -3.329 191 1HD2 LEU 20 HD21 LEU 20 -3.369 1.781 -0.174 192 2HD2 LEU 20 HD22 LEU 20 -3.634 2.068 -1.896 193 3HD2 LEU 20 HD23 LEU 20 -3.408 3.431 -0.797 194 H VAL 21 HN VAL 21 -0.261 2.643 1.096 195 HA VAL 21 HA VAL 21 1.933 4.036 0.107 196 HB VAL 21 HB VAL 21 0.286 4.015 2.577 197 1HG1 VAL 21 HG11 VAL 21 1.523 5.816 3.537 198 2HG1 VAL 21 HG12 VAL 21 2.627 5.835 2.158 199 3HG1 VAL 21 HG13 VAL 21 2.588 4.438 3.238 200 1HG2 VAL 21 HG21 VAL 21 0.758 6.090 0.445 201 2HG2 VAL 21 HG22 VAL 21 -0.371 6.235 1.796 202 3HG2 VAL 21 HG23 VAL 21 -0.620 4.991 0.563 203 H PHE 22 HN PHE 22 1.397 2.202 3.045 204 HA PHE 22 HA PHE 22 3.894 2.295 4.236 205 1HB PHE 22 HB2 PHE 22 2.398 1.372 5.657 206 2HB PHE 22 HB1 PHE 22 1.426 0.752 4.349 207 HD1 PHE 22 HD1 PHE 22 4.696 0.183 5.881 208 HD2 PHE 22 HD2 PHE 22 1.211 -1.360 4.123 209 HE1 PHE 22 HE1 PHE 22 5.538 -2.086 6.287 210 HE2 PHE 22 HE2 PHE 22 1.995 -3.665 4.521 211 HZ PHE 22 HZ PHE 22 4.180 -4.026 5.586 212 H LEU 23 HN LEU 23 2.629 0.468 1.618 213 HA LEU 23 HA LEU 23 4.856 -1.425 1.420 214 1HB LEU 23 HB2 LEU 23 2.477 -0.779 -0.291 215 2HB LEU 23 HB1 LEU 23 3.797 -1.703 -0.973 216 HG LEU 23 HG LEU 23 1.684 -2.834 0.162 217 1HD1 LEU 23 HD11 LEU 23 3.028 -4.388 -0.768 218 2HD1 LEU 23 HD12 LEU 23 3.553 -4.639 0.897 219 3HD1 LEU 23 HD13 LEU 23 4.499 -3.613 -0.182 220 1HD2 LEU 23 HD21 LEU 23 2.746 -1.561 2.293 221 2HD2 LEU 23 HD22 LEU 23 3.467 -3.167 2.451 222 3HD2 LEU 23 HD23 LEU 23 1.711 -2.990 2.389 223 H LYS 24 HN LYS 24 3.867 1.529 0.150 224 HA LYS 24 HA LYS 24 5.689 1.778 -1.982 225 1HB LYS 24 HB2 LYS 24 3.471 3.144 -0.835 226 2HB LYS 24 HB1 LYS 24 4.724 4.303 -1.136 227 1HG LYS 24 HG2 LYS 24 4.003 4.339 -3.238 228 2HG LYS 24 HG1 LYS 24 4.646 2.701 -3.385 229 1HD LYS 24 HD2 LYS 24 2.370 2.081 -2.224 230 2HD LYS 24 HD1 LYS 24 1.850 3.601 -2.961 231 1HE LYS 24 HE2 LYS 24 3.363 1.785 -4.719 232 2HE LYS 24 HE1 LYS 24 1.778 1.202 -4.211 233 1HZ LYS 24 HZ1 LYS 24 1.115 2.395 -5.983 234 2HZ LYS 24 HZ2 LYS 24 2.466 3.413 -5.964 235 3HZ LYS 24 HZ3 LYS 24 1.182 3.696 -4.902 236 H THR 25 HN THR 25 5.523 3.014 1.261 237 HA THR 25 HA THR 25 7.932 4.494 1.135 238 HB THR 25 HB THR 25 6.306 5.238 2.696 239 HG1 THR 25 HG1 THR 25 7.478 5.266 4.559 240 1HG2 THR 25 HG21 THR 25 5.067 3.999 4.119 241 2HG2 THR 25 HG22 THR 25 6.351 2.822 4.390 242 3HG2 THR 25 HG23 THR 25 5.389 2.753 2.911 243 H ARG 26 HN ARG 26 6.973 1.365 2.559 244 HA ARG 26 HA ARG 26 9.428 0.707 3.726 245 1HB ARG 26 HB2 ARG 26 7.239 -0.924 2.478 246 2HB ARG 26 HB1 ARG 26 8.643 -1.689 3.213 247 1HG ARG 26 HG2 ARG 26 6.465 -0.111 4.523 248 2HG ARG 26 HG1 ARG 26 7.039 -1.727 4.893 249 1HD ARG 26 HD2 ARG 26 9.243 -0.580 5.526 250 2HD ARG 26 HD1 ARG 26 8.302 0.912 5.517 251 HE ARG 26 HE ARG 26 7.301 -1.289 7.144 252 1HH1 ARG 26 1HH1 ARG 26 8.997 1.767 7.025 253 2HH1 ARG 26 2HH1 ARG 26 8.767 2.094 8.709 254 1HH2 ARG 26 1HH2 ARG 26 7.007 -0.854 9.353 255 2HH2 ARG 26 2HH2 ARG 26 7.642 0.609 10.029 256 H VAL 27 HN VAL 27 8.229 0.360 0.476 257 HA VAL 27 HA VAL 27 10.491 -1.016 -0.582 258 HB VAL 27 HB VAL 27 7.952 0.163 -1.544 259 1HG1 VAL 27 HG11 VAL 27 9.303 1.203 -3.120 260 2HG1 VAL 27 HG12 VAL 27 8.658 -0.230 -3.921 261 3HG1 VAL 27 HG13 VAL 27 10.320 -0.221 -3.326 262 1HG2 VAL 27 HG21 VAL 27 7.758 -2.023 -2.661 263 2HG2 VAL 27 HG22 VAL 27 8.058 -2.172 -0.928 264 3HG2 VAL 27 HG23 VAL 27 9.369 -2.444 -2.078 265 H LEU 28 HN LEU 28 9.653 2.230 0.067 266 HA LEU 28 HA LEU 28 11.353 3.511 -1.803 267 1HB LEU 28 HB2 LEU 28 10.174 5.330 -1.182 268 2HB LEU 28 HB1 LEU 28 9.146 4.216 -0.358 269 HG LEU 28 HG LEU 28 10.341 4.610 1.722 270 1HD1 LEU 28 HD11 LEU 28 12.429 5.363 1.624 271 2HD1 LEU 28 HD12 LEU 28 11.746 6.960 1.316 272 3HD1 LEU 28 HD13 LEU 28 12.227 5.931 -0.032 273 1HD2 LEU 28 HD21 LEU 28 8.947 6.286 2.163 274 2HD2 LEU 28 HD22 LEU 28 8.565 6.305 0.442 275 3HD2 LEU 28 HD23 LEU 28 9.807 7.381 1.081 276 H LYS 29 HN LYS 29 11.215 2.938 1.605 277 HA LYS 29 HA LYS 29 13.801 3.895 2.199 278 1HB LYS 29 HB2 LYS 29 13.466 3.031 4.414 279 2HB LYS 29 HB1 LYS 29 11.951 3.738 3.875 280 1HG LYS 29 HG2 LYS 29 11.222 1.418 3.239 281 2HG LYS 29 HG1 LYS 29 12.654 0.824 4.080 282 1HD LYS 29 HD2 LYS 29 10.393 2.433 5.265 283 2HD LYS 29 HD1 LYS 29 10.741 0.728 5.556 284 1HE LYS 29 HE2 LYS 29 11.838 1.484 7.361 285 2HE LYS 29 HE1 LYS 29 13.115 1.873 6.209 286 1HZ LYS 29 HZ1 LYS 29 12.889 3.894 7.157 287 2HZ LYS 29 HZ2 LYS 29 11.281 3.644 7.618 288 3HZ LYS 29 HZ3 LYS 29 11.647 4.062 6.020 289 H ARG 30 HN ARG 30 12.538 1.067 0.868 290 HA ARG 30 HA ARG 30 14.774 -0.620 1.499 291 1HB ARG 30 HB2 ARG 30 13.510 -2.292 0.595 292 2HB ARG 30 HB1 ARG 30 12.214 -1.167 0.824 293 1HG ARG 30 HG2 ARG 30 11.805 -1.137 -1.341 294 2HG ARG 30 HG1 ARG 30 13.459 -0.718 -1.715 295 1HD ARG 30 HD2 ARG 30 14.074 -2.885 -2.089 296 2HD ARG 30 HD1 ARG 30 12.882 -3.526 -0.960 297 HE ARG 30 HE ARG 30 11.745 -2.345 -3.328 298 1HH1 ARG 30 1HH1 ARG 30 13.030 -5.260 -1.901 299 2HH1 ARG 30 2HH1 ARG 30 12.191 -6.312 -2.990 300 1HH2 ARG 30 1HH2 ARG 30 10.641 -3.731 -4.764 301 2HH2 ARG 30 2HH2 ARG 30 10.837 -5.446 -4.616 302 H TRP 31 HN TRP 31 13.516 1.450 -0.913 303 HA TRP 31 HA TRP 31 15.280 1.004 -3.025 304 1HB TRP 31 HB2 TRP 31 12.984 2.477 -2.421 305 2HB TRP 31 HB1 TRP 31 14.167 3.625 -2.906 306 HD1 TRP 31 HD1 TRP 31 12.077 0.938 -4.171 307 HE1 TRP 31 HE1 TRP 31 12.367 0.750 -6.717 308 HE3 TRP 31 HE3 TRP 31 15.882 3.926 -4.490 309 HZ2 TRP 31 HZ2 TRP 31 14.129 1.849 -8.647 310 HZ3 TRP 31 HZ3 TRP 31 16.961 4.423 -6.709 311 HH2 TRP 31 HH2 TRP 31 16.081 3.378 -8.759 312 H ARG 32 HN ARG 32 15.025 3.247 -0.281 313 HA ARG 32 HA ARG 32 17.267 4.859 -0.753 314 1HB ARG 32 HB2 ARG 32 15.945 3.817 1.720 315 2HB ARG 32 HB1 ARG 32 17.075 5.177 1.715 316 1HG ARG 32 HG2 ARG 32 14.548 5.173 0.088 317 2HG ARG 32 HG1 ARG 32 14.599 5.722 1.742 318 1HD ARG 32 HD2 ARG 32 16.150 6.765 -0.590 319 2HD ARG 32 HD1 ARG 32 14.827 7.586 0.236 320 HE ARG 32 HE ARG 32 16.604 7.243 2.219 321 1HH1 ARG 32 1HH1 ARG 32 16.955 8.512 -1.016 322 2HH1 ARG 32 2HH1 ARG 32 18.251 9.577 -0.591 323 1HH2 ARG 32 1HH2 ARG 32 18.310 8.645 2.776 324 2HH2 ARG 32 2HH2 ARG 32 19.021 9.652 1.560 325 H LEU 33 HN LEU 33 16.709 1.962 1.062 326 HA LEU 33 HA LEU 33 19.218 1.385 2.081 327 1HB LEU 33 HB2 LEU 33 16.629 0.067 1.499 328 2HB LEU 33 HB1 LEU 33 17.940 -0.919 2.002 329 HG LEU 33 HG LEU 33 16.137 0.375 3.577 330 1HD1 LEU 33 HD11 LEU 33 17.055 -0.858 5.223 331 2HD1 LEU 33 HD12 LEU 33 18.672 -0.223 4.923 332 3HD1 LEU 33 HD13 LEU 33 18.041 -1.532 3.924 333 1HD2 LEU 33 HD21 LEU 33 17.178 2.139 4.720 334 2HD2 LEU 33 HD22 LEU 33 17.420 2.447 2.997 335 3HD2 LEU 33 HD23 LEU 33 18.739 1.794 3.970 336 H PHE 34 HN PHE 34 17.483 0.503 -0.728 337 HA PHE 34 HA PHE 34 19.391 -1.360 -1.746 338 1HB PHE 34 HB2 PHE 34 16.806 -0.328 -2.491 339 2HB PHE 34 HB1 PHE 34 17.818 -0.680 -3.860 340 HD1 PHE 34 HD1 PHE 34 17.857 -2.241 -0.616 341 HD2 PHE 34 HD2 PHE 34 16.793 -2.616 -4.691 342 HE1 PHE 34 HE1 PHE 34 17.438 -4.627 -0.273 343 HE2 PHE 34 HE2 PHE 34 16.354 -4.999 -4.377 344 HZ PHE 34 HZ PHE 34 16.671 -6.038 -2.156 345 H SER 35 HN SER 35 18.872 1.916 -1.709 346 HA SER 35 HA SER 35 20.684 2.424 -4.001 347 1HB SER 35 HB2 SER 35 18.498 3.895 -3.053 348 2HB SER 35 HB1 SER 35 19.912 4.842 -2.603 349 HG SER 35 HG SER 35 19.015 4.073 -5.146 350 H LYS 36 HN LYS 36 20.601 2.618 -0.509 351 HA LYS 36 HA LYS 36 23.068 4.082 -0.348 352 1HB LYS 36 HB2 LYS 36 22.684 4.233 1.890 353 2HB LYS 36 HB1 LYS 36 21.051 3.865 1.362 354 1HG LYS 36 HG2 LYS 36 21.238 1.607 2.054 355 2HG LYS 36 HG1 LYS 36 22.979 1.757 2.304 356 1HD LYS 36 HD2 LYS 36 21.686 1.794 4.414 357 2HD LYS 36 HD1 LYS 36 22.633 3.259 4.155 358 1HE LYS 36 HE2 LYS 36 19.840 3.249 3.163 359 2HE LYS 36 HE1 LYS 36 20.075 3.308 4.909 360 1HZ LYS 36 HZ1 LYS 36 20.883 5.388 4.816 361 2HZ LYS 36 HZ2 LYS 36 20.054 5.462 3.344 362 3HZ LYS 36 HZ3 LYS 36 21.713 5.136 3.363 363 H HIS 37 HN HIS 37 22.150 0.807 -0.551 364 HA HIS 37 HA HIS 37 24.585 -0.296 0.473 365 1HB HIS 37 HB2 HIS 37 22.020 -1.274 -0.421 366 2HB HIS 37 HB1 HIS 37 23.319 -2.221 -1.121 367 HD1 HIS 37 HD1 HIS 37 23.899 -4.173 0.276 368 HD2 HIS 37 HD2 HIS 37 22.578 -0.967 2.565 369 HE1 HIS 37 HE1 HIS 37 23.954 -4.980 2.658 370 HE2 HIS 37 HE2 HIS 37 23.223 -3.000 4.032 371 H GLU 38 HN GLU 38 23.173 0.025 -2.771 372 HA GLU 38 HA GLU 38 24.074 -0.233 -4.851 373 1HB GLU 38 HB2 GLU 38 26.079 1.180 -5.236 374 2HB GLU 38 HB1 GLU 38 24.802 2.006 -4.354 375 1HG GLU 38 HG2 GLU 38 25.980 1.756 -2.287 376 2HG GLU 38 HG1 GLU 38 27.196 0.734 -3.052
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