NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
571599 | 2m87 | 19231 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 H1 ASN 1 -18.514 -0.707 -4.583 2 H2 ASN 1 H2 ASN 1 -17.611 0.138 -5.747 3 H3 ASN 1 H3 ASN 1 -19.110 -0.546 -6.162 4 HA ASN 1 HA ASN 1 -18.797 1.587 -4.127 5 HB2 ASN 1 HB2 ASN 1 -19.522 1.778 -7.067 6 HB3 ASN 1 HB3 ASN 1 -19.685 3.096 -5.906 7 HD21 ASN 1 HD21 ASN 1 -18.003 3.705 -7.946 8 HD22 ASN 1 HD22 ASN 1 -16.375 3.589 -7.479 9 H GLN 2 H GLN 2 -20.753 -0.619 -6.024 10 HA GLN 2 HA GLN 2 -23.306 0.498 -5.202 11 HB2 GLN 2 HB2 GLN 2 -22.655 -2.285 -6.222 12 HB3 GLN 2 HB3 GLN 2 -24.259 -1.554 -6.147 13 HG2 GLN 2 HG2 GLN 2 -23.620 0.154 -7.745 14 HG3 GLN 2 HG3 GLN 2 -21.946 -0.401 -7.729 15 HE21 GLN 2 HE21 GLN 2 -22.783 -0.485 -10.218 16 HE22 GLN 2 HE22 GLN 2 -23.322 -2.017 -10.711 17 H GLY 3 H GLY 3 -21.971 0.400 -2.877 18 HA2 GLY 3 HA2 GLY 3 -22.283 -0.346 -0.667 19 HA3 GLY 3 HA3 GLY 3 -23.567 -1.398 -1.265 20 H ASP 4 H ASP 4 -20.545 -1.695 -2.874 21 HA ASP 4 HA ASP 4 -19.369 -3.673 -1.114 22 HB2 ASP 4 HB2 ASP 4 -21.316 -4.957 -1.995 23 HB3 ASP 4 HB3 ASP 4 -20.719 -4.690 -3.633 24 H ASN 5 H ASN 5 -17.240 -4.002 -1.706 25 HA ASN 5 HA ASN 5 -16.278 -3.775 -4.413 26 HB2 ASN 5 HB2 ASN 5 -14.875 -1.668 -3.909 27 HB3 ASN 5 HB3 ASN 5 -16.589 -1.424 -4.242 28 HD21 ASN 5 HD21 ASN 5 -16.109 -2.918 -1.200 29 HD22 ASN 5 HD22 ASN 5 -16.267 -1.531 -0.234 30 H GLU 6 H GLU 6 -14.504 -5.064 -4.420 31 HA GLU 6 HA GLU 6 -12.480 -4.890 -2.311 32 HB2 GLU 6 HB2 GLU 6 -12.678 -7.353 -1.757 33 HB3 GLU 6 HB3 GLU 6 -13.997 -6.357 -1.147 34 HG2 GLU 6 HG2 GLU 6 -14.181 -7.785 -3.814 35 HG3 GLU 6 HG3 GLU 6 -14.649 -8.563 -2.304 36 H ILE 7 H ILE 7 -10.562 -6.123 -2.864 37 HA ILE 7 HA ILE 7 -10.508 -7.464 -5.511 38 HB ILE 7 HB ILE 7 -8.550 -6.089 -6.228 39 HG12 ILE 7 HG12 ILE 7 -9.333 -4.384 -3.839 40 HG13 ILE 7 HG13 ILE 7 -7.846 -5.321 -3.986 41 HG21 ILE 7 HG21 ILE 7 -10.942 -5.588 -6.900 42 HG22 ILE 7 HG22 ILE 7 -9.849 -4.209 -6.983 43 HG23 ILE 7 HG23 ILE 7 -10.969 -4.366 -5.629 44 HD11 ILE 7 HD11 ILE 7 -7.347 -3.991 -6.093 45 HD12 ILE 7 HD12 ILE 7 -7.290 -3.068 -4.592 46 HD13 ILE 7 HD13 ILE 7 -8.694 -2.941 -5.652 47 H SER 8 H SER 8 -8.380 -8.581 -5.833 48 HA SER 8 HA SER 8 -6.800 -9.010 -3.336 49 HB2 SER 8 HB2 SER 8 -8.009 -11.286 -4.930 50 HB3 SER 8 HB3 SER 8 -7.035 -11.420 -3.469 51 HG SER 8 HG SER 8 -8.704 -10.827 -2.296 52 H VAL 9 H VAL 9 -4.755 -9.951 -3.723 53 HA VAL 9 HA VAL 9 -3.893 -10.259 -6.565 54 HB VAL 9 HB VAL 9 -2.497 -8.466 -4.550 55 HG11 VAL 9 HG11 VAL 9 -1.111 -7.889 -6.585 56 HG12 VAL 9 HG12 VAL 9 -1.885 -9.238 -7.415 57 HG13 VAL 9 HG13 VAL 9 -0.885 -9.534 -5.993 58 HG21 VAL 9 HG21 VAL 9 -3.095 -6.679 -6.235 59 HG22 VAL 9 HG22 VAL 9 -4.482 -7.356 -5.381 60 HG23 VAL 9 HG23 VAL 9 -4.130 -7.864 -7.033 61 H GLY 10 H GLY 10 -3.446 -12.438 -6.286 62 HA2 GLY 10 HA2 GLY 10 -2.017 -14.234 -5.736 63 HA3 GLY 10 HA3 GLY 10 -1.024 -13.108 -4.805 64 H ASN 11 H ASN 11 -1.023 -13.548 -2.666 65 HA ASN 11 HA ASN 11 -3.311 -15.056 -1.474 66 HB2 ASN 11 HB2 ASN 11 -1.690 -15.282 0.473 67 HB3 ASN 11 HB3 ASN 11 -1.178 -16.059 -1.025 68 HD21 ASN 11 HD21 ASN 11 1.091 -15.805 -0.938 69 HD22 ASN 11 HD22 ASN 11 1.869 -14.303 -0.788 70 H LEU 12 H LEU 12 -2.804 -11.931 -2.027 71 HA LEU 12 HA LEU 12 -3.489 -10.976 0.733 72 HB2 LEU 12 HB2 LEU 12 -2.730 -9.286 -1.664 73 HB3 LEU 12 HB3 LEU 12 -2.740 -8.816 0.034 74 HG LEU 12 HG LEU 12 -0.901 -10.888 -1.205 75 HD11 LEU 12 HD11 LEU 12 -0.302 -8.643 -1.920 76 HD12 LEU 12 HD12 LEU 12 0.853 -9.171 -0.695 77 HD13 LEU 12 HD13 LEU 12 -0.433 -8.044 -0.266 78 HD21 LEU 12 HD21 LEU 12 0.262 -10.577 1.078 79 HD22 LEU 12 HD22 LEU 12 -1.235 -11.506 1.078 80 HD23 LEU 12 HD23 LEU 12 -1.240 -9.826 1.614 81 H ARG 13 H ARG 13 -5.513 -10.282 1.122 82 HA ARG 13 HA ARG 13 -7.360 -9.779 -1.198 83 HB2 ARG 13 HB2 ARG 13 -8.177 -10.732 1.551 84 HB3 ARG 13 HB3 ARG 13 -9.153 -10.690 0.085 85 HG2 ARG 13 HG2 ARG 13 -7.604 -12.347 -0.949 86 HG3 ARG 13 HG3 ARG 13 -6.728 -12.440 0.579 87 HD2 ARG 13 HD2 ARG 13 -8.703 -13.264 1.725 88 HD3 ARG 13 HD3 ARG 13 -9.687 -13.027 0.280 89 HE ARG 13 HE ARG 13 -7.474 -14.779 -0.295 90 HH11 ARG 13 HH11 ARG 13 -10.524 -14.546 1.297 91 HH12 ARG 13 HH12 ARG 13 -10.890 -16.231 1.130 92 HH21 ARG 13 HH21 ARG 13 -7.933 -16.981 -0.519 93 HH22 ARG 13 HH22 ARG 13 -9.423 -17.609 0.103 94 H LEU 14 H LEU 14 -8.547 -7.882 -1.116 95 HA LEU 14 HA LEU 14 -8.193 -6.116 1.287 96 HB2 LEU 14 HB2 LEU 14 -6.708 -5.436 -0.582 97 HB3 LEU 14 HB3 LEU 14 -8.111 -5.286 -1.632 98 HG LEU 14 HG LEU 14 -8.324 -3.783 0.944 99 HD11 LEU 14 HD11 LEU 14 -5.932 -3.419 0.400 100 HD12 LEU 14 HD12 LEU 14 -6.881 -1.941 0.227 101 HD13 LEU 14 HD13 LEU 14 -6.398 -2.851 -1.204 102 HD21 LEU 14 HD21 LEU 14 -8.786 -3.040 -1.964 103 HD22 LEU 14 HD22 LEU 14 -9.179 -2.019 -0.584 104 HD23 LEU 14 HD23 LEU 14 -10.022 -3.547 -0.815 105 H ASN 15 H ASN 15 -9.988 -4.928 1.862 106 HA ASN 15 HA ASN 15 -12.457 -5.158 0.173 107 HB2 ASN 15 HB2 ASN 15 -12.142 -5.843 3.106 108 HB3 ASN 15 HB3 ASN 15 -13.711 -5.479 2.390 109 HD21 ASN 15 HD21 ASN 15 -14.622 -7.595 2.425 110 HD22 ASN 15 HD22 ASN 15 -13.958 -8.907 1.575 111 H VAL 16 H VAL 16 -12.548 -3.008 -0.409 112 HA VAL 16 HA VAL 16 -11.938 -0.822 1.363 113 HB VAL 16 HB VAL 16 -13.658 -0.863 -1.132 114 HG11 VAL 16 HG11 VAL 16 -12.952 1.577 -1.203 115 HG12 VAL 16 HG12 VAL 16 -12.354 1.373 0.444 116 HG13 VAL 16 HG13 VAL 16 -14.071 1.166 0.095 117 HG21 VAL 16 HG21 VAL 16 -11.350 -1.698 -1.492 118 HG22 VAL 16 HG22 VAL 16 -10.715 -0.222 -0.762 119 HG23 VAL 16 HG23 VAL 16 -11.606 -0.143 -2.281 120 H THR 17 H THR 17 -14.856 -2.657 0.687 121 HA THR 17 HA THR 17 -16.745 -0.838 1.794 122 HB THR 17 HB THR 17 -17.798 -2.605 0.688 123 HG1 THR 17 HG1 THR 17 -19.019 -2.743 2.396 124 HG21 THR 17 HG21 THR 17 -15.777 -4.390 2.053 125 HG22 THR 17 HG22 THR 17 -15.936 -4.059 0.331 126 HG23 THR 17 HG23 THR 17 -17.155 -5.021 1.161 127 H ARG 18 H ARG 18 -14.969 -3.528 3.355 128 HA ARG 18 HA ARG 18 -15.857 -2.562 6.026 129 HB2 ARG 18 HB2 ARG 18 -14.124 -4.947 5.294 130 HB3 ARG 18 HB3 ARG 18 -14.839 -4.612 6.872 131 HG2 ARG 18 HG2 ARG 18 -17.113 -4.663 5.716 132 HG3 ARG 18 HG3 ARG 18 -16.280 -5.306 4.301 133 HD2 ARG 18 HD2 ARG 18 -17.134 -7.174 5.596 134 HD3 ARG 18 HD3 ARG 18 -15.378 -7.151 5.748 135 HE ARG 18 HE ARG 18 -16.343 -5.642 7.906 136 HH11 ARG 18 HH11 ARG 18 -16.652 -8.829 6.623 137 HH12 ARG 18 HH12 ARG 18 -16.900 -9.569 8.170 138 HH21 ARG 18 HH21 ARG 18 -16.666 -6.591 9.929 139 HH22 ARG 18 HH22 ARG 18 -16.908 -8.302 10.041 140 H ARG 19 H ARG 19 -13.291 -2.272 3.823 141 HA ARG 19 HA ARG 19 -11.251 -1.169 3.943 142 HB2 ARG 19 HB2 ARG 19 -12.827 0.383 5.388 143 HB3 ARG 19 HB3 ARG 19 -11.907 -0.248 6.746 144 HG2 ARG 19 HG2 ARG 19 -10.643 1.646 6.199 145 HG3 ARG 19 HG3 ARG 19 -9.804 0.406 5.271 146 HD2 ARG 19 HD2 ARG 19 -11.000 1.051 3.244 147 HD3 ARG 19 HD3 ARG 19 -11.992 2.191 4.150 148 HE ARG 19 HE ARG 19 -9.294 2.671 3.212 149 HH11 ARG 19 HH11 ARG 19 -11.607 3.288 5.693 150 HH12 ARG 19 HH12 ARG 19 -10.905 4.803 6.153 151 HH21 ARG 19 HH21 ARG 19 -8.367 4.645 3.797 152 HH22 ARG 19 HH22 ARG 19 -9.072 5.571 5.080 153 H LEU 20 H LEU 20 -11.117 -3.828 4.501 154 HA LEU 20 HA LEU 20 -9.042 -3.995 6.632 155 HB2 LEU 20 HB2 LEU 20 -11.118 -6.126 6.064 156 HB3 LEU 20 HB3 LEU 20 -9.890 -6.171 7.323 157 HG LEU 20 HG LEU 20 -12.034 -4.030 7.184 158 HD11 LEU 20 HD11 LEU 20 -12.008 -6.617 8.763 159 HD12 LEU 20 HD12 LEU 20 -13.112 -6.212 7.448 160 HD13 LEU 20 HD13 LEU 20 -13.183 -5.317 8.965 161 HD21 LEU 20 HD21 LEU 20 -10.033 -4.911 9.288 162 HD22 LEU 20 HD22 LEU 20 -11.422 -3.897 9.670 163 HD23 LEU 20 HD23 LEU 20 -10.193 -3.319 8.551 164 H VAL 21 H VAL 21 -7.403 -5.591 6.203 165 HA VAL 21 HA VAL 21 -7.410 -6.753 3.437 166 HB VAL 21 HB VAL 21 -4.978 -5.496 4.740 167 HG11 VAL 21 HG11 VAL 21 -5.583 -6.235 1.860 168 HG12 VAL 21 HG12 VAL 21 -4.651 -7.239 2.971 169 HG13 VAL 21 HG13 VAL 21 -4.044 -5.653 2.495 170 HG21 VAL 21 HG21 VAL 21 -5.379 -3.650 3.030 171 HG22 VAL 21 HG22 VAL 21 -6.495 -3.675 4.394 172 HG23 VAL 21 HG23 VAL 21 -7.001 -4.308 2.828 173 H TRP 22 H TRP 22 -6.731 -8.857 3.399 174 HA TRP 22 HA TRP 22 -5.736 -10.058 5.958 175 HB2 TRP 22 HB2 TRP 22 -6.980 -11.324 3.497 176 HB3 TRP 22 HB3 TRP 22 -6.409 -12.213 4.906 177 HD1 TRP 22 HD1 TRP 22 -8.015 -12.443 6.885 178 HE1 TRP 22 HE1 TRP 22 -10.327 -11.470 7.483 179 HE3 TRP 22 HE3 TRP 22 -8.529 -9.017 3.133 180 HZ2 TRP 22 HZ2 TRP 22 -12.151 -9.496 6.499 181 HZ3 TRP 22 HZ3 TRP 22 -10.556 -7.607 2.988 182 HH2 TRP 22 HH2 TRP 22 -12.370 -7.842 4.664 183 H LEU 23 H LEU 23 -3.986 -11.644 5.772 184 HA LEU 23 HA LEU 23 -2.340 -11.536 3.294 185 HB2 LEU 23 HB2 LEU 23 -1.468 -9.674 4.568 186 HB3 LEU 23 HB3 LEU 23 -1.422 -10.634 6.040 187 HG LEU 23 HG LEU 23 0.122 -11.885 3.836 188 HD11 LEU 23 HD11 LEU 23 0.617 -9.583 3.202 189 HD12 LEU 23 HD12 LEU 23 2.029 -10.271 4.002 190 HD13 LEU 23 HD13 LEU 23 0.976 -9.164 4.877 191 HD21 LEU 23 HD21 LEU 23 1.858 -12.012 5.609 192 HD22 LEU 23 HD22 LEU 23 0.304 -12.625 6.172 193 HD23 LEU 23 HD23 LEU 23 0.846 -11.020 6.656 194 H GLY 24 H GLY 24 -1.970 -13.674 2.879 195 HA2 GLY 24 HA2 GLY 24 -1.400 -15.926 3.280 196 HA3 GLY 24 HA3 GLY 24 -0.703 -15.394 4.816 197 H GLU 25 H GLU 25 -3.991 -15.001 3.650 198 HA GLU 25 HA GLU 25 -6.049 -15.663 4.535 199 HB2 GLU 25 HB2 GLU 25 -4.583 -17.948 5.872 200 HB3 GLU 25 HB3 GLU 25 -6.259 -17.893 5.329 201 HG2 GLU 25 HG2 GLU 25 -5.375 -17.594 2.968 202 HG3 GLU 25 HG3 GLU 25 -3.771 -17.955 3.604 203 H THR 26 H THR 26 -3.598 -14.435 6.354 204 HA THR 26 HA THR 26 -5.141 -14.634 8.943 205 HB THR 26 HB THR 26 -3.064 -13.835 10.022 206 HG1 THR 26 HG1 THR 26 -1.606 -14.355 7.723 207 HG21 THR 26 HG21 THR 26 -3.573 -16.289 9.635 208 HG22 THR 26 HG22 THR 26 -1.868 -15.905 9.868 209 HG23 THR 26 HG23 THR 26 -2.487 -16.214 8.248 210 H ALA 27 H ALA 27 -5.899 -12.772 9.901 211 HA ALA 27 HA ALA 27 -6.273 -10.454 8.233 212 HB1 ALA 27 HB1 ALA 27 -7.881 -11.147 9.998 213 HB2 ALA 27 HB2 ALA 27 -7.361 -9.473 10.197 214 HB3 ALA 27 HB3 ALA 27 -6.682 -10.736 11.224 215 H LEU 28 H LEU 28 -4.667 -9.030 7.794 216 HA LEU 28 HA LEU 28 -2.388 -8.717 9.624 217 HB2 LEU 28 HB2 LEU 28 -2.429 -8.723 6.983 218 HB3 LEU 28 HB3 LEU 28 -2.856 -7.029 7.161 219 HG LEU 28 HG LEU 28 -0.822 -6.738 8.614 220 HD11 LEU 28 HD11 LEU 28 -0.541 -9.661 8.010 221 HD12 LEU 28 HD12 LEU 28 -0.062 -8.755 9.442 222 HD13 LEU 28 HD13 LEU 28 0.939 -8.702 8.000 223 HD21 LEU 28 HD21 LEU 28 -0.601 -7.623 5.727 224 HD22 LEU 28 HD22 LEU 28 0.796 -7.008 6.609 225 HD23 LEU 28 HD23 LEU 28 -0.619 -5.983 6.374 226 H ASP 29 H ASP 29 -1.985 -6.876 10.875 227 HA ASP 29 HA ASP 29 -4.282 -4.993 11.212 228 HB2 ASP 29 HB2 ASP 29 -1.853 -5.501 12.956 229 HB3 ASP 29 HB3 ASP 29 -3.188 -4.416 13.346 230 H LEU 30 H LEU 30 -4.051 -3.268 9.852 231 HA LEU 30 HA LEU 30 -1.427 -1.804 9.857 232 HB2 LEU 30 HB2 LEU 30 -2.052 -1.110 7.492 233 HB3 LEU 30 HB3 LEU 30 -1.560 -2.788 7.681 234 HG LEU 30 HG LEU 30 -4.503 -2.210 7.962 235 HD11 LEU 30 HD11 LEU 30 -3.082 -2.234 5.283 236 HD12 LEU 30 HD12 LEU 30 -3.910 -0.852 6.001 237 HD13 LEU 30 HD13 LEU 30 -4.829 -2.277 5.515 238 HD21 LEU 30 HD21 LEU 30 -4.689 -4.370 6.806 239 HD22 LEU 30 HD22 LEU 30 -3.572 -4.520 8.159 240 HD23 LEU 30 HD23 LEU 30 -2.950 -4.388 6.518 241 H THR 31 H THR 31 -1.611 0.415 10.125 242 HA THR 31 HA THR 31 -3.949 1.448 11.333 243 HB THR 31 HB THR 31 -2.877 3.689 10.988 244 HG1 THR 31 HG1 THR 31 -0.556 3.037 10.099 245 HG21 THR 31 HG21 THR 31 -2.259 2.246 12.896 246 HG22 THR 31 HG22 THR 31 -0.876 3.182 12.326 247 HG23 THR 31 HG23 THR 31 -1.019 1.475 11.905 248 HA PRO 32 HA PRO 32 -6.776 2.285 7.941 249 HB2 PRO 32 HB2 PRO 32 -6.921 5.055 9.131 250 HB3 PRO 32 HB3 PRO 32 -8.242 3.996 8.591 251 HG2 PRO 32 HG2 PRO 32 -7.677 4.257 11.178 252 HG3 PRO 32 HG3 PRO 32 -8.150 2.687 10.500 253 HD2 PRO 32 HD2 PRO 32 -5.447 3.598 11.409 254 HD3 PRO 32 HD3 PRO 32 -6.139 1.959 11.361 255 H LYS 33 H LYS 33 -4.465 4.905 8.708 256 HA LYS 33 HA LYS 33 -4.489 6.259 6.247 257 HB2 LYS 33 HB2 LYS 33 -2.219 5.739 8.183 258 HB3 LYS 33 HB3 LYS 33 -2.076 6.831 6.807 259 HG2 LYS 33 HG2 LYS 33 -3.955 8.173 7.652 260 HG3 LYS 33 HG3 LYS 33 -4.142 7.068 9.015 261 HD2 LYS 33 HD2 LYS 33 -1.944 7.644 9.861 262 HD3 LYS 33 HD3 LYS 33 -1.602 8.613 8.428 263 HE2 LYS 33 HE2 LYS 33 -3.892 9.186 10.326 264 HE3 LYS 33 HE3 LYS 33 -2.313 9.962 10.439 265 HZ1 LYS 33 HZ1 LYS 33 -3.986 11.240 9.157 266 HZ2 LYS 33 HZ2 LYS 33 -4.004 9.999 8.002 267 HZ3 LYS 33 HZ3 LYS 33 -2.578 10.881 8.276 268 H GLU 34 H GLU 34 -2.452 3.473 7.191 269 HA GLU 34 HA GLU 34 -1.073 3.241 4.720 270 HB2 GLU 34 HB2 GLU 34 -0.323 2.015 6.679 271 HB3 GLU 34 HB3 GLU 34 -1.842 1.130 6.758 272 HG2 GLU 34 HG2 GLU 34 0.032 -0.195 5.748 273 HG3 GLU 34 HG3 GLU 34 -1.345 -0.017 4.666 274 H TYR 35 H TYR 35 -4.267 2.104 5.717 275 HA TYR 35 HA TYR 35 -4.754 0.322 3.554 276 HB2 TYR 35 HB2 TYR 35 -6.206 0.675 5.626 277 HB3 TYR 35 HB3 TYR 35 -6.847 2.109 4.824 278 HD1 TYR 35 HD1 TYR 35 -7.873 1.823 2.465 279 HD2 TYR 35 HD2 TYR 35 -7.072 -1.477 5.102 280 HE1 TYR 35 HE1 TYR 35 -9.426 0.400 1.159 281 HE2 TYR 35 HE2 TYR 35 -8.636 -2.890 3.792 282 HH TYR 35 HH TYR 35 -10.276 -1.629 0.898 283 H ALA 36 H ALA 36 -4.899 3.836 3.761 284 HA ALA 36 HA ALA 36 -6.273 4.185 1.226 285 HB1 ALA 36 HB1 ALA 36 -4.561 6.108 2.833 286 HB2 ALA 36 HB2 ALA 36 -6.314 5.946 2.938 287 HB3 ALA 36 HB3 ALA 36 -5.571 6.557 1.462 288 H LEU 37 H LEU 37 -2.868 4.687 2.219 289 HA LEU 37 HA LEU 37 -1.932 5.129 -0.461 290 HB2 LEU 37 HB2 LEU 37 -0.537 4.260 2.082 291 HB3 LEU 37 HB3 LEU 37 0.329 4.483 0.567 292 HG LEU 37 HG LEU 37 -0.589 6.826 0.474 293 HD11 LEU 37 HD11 LEU 37 -1.620 6.018 3.199 294 HD12 LEU 37 HD12 LEU 37 -2.496 6.791 1.878 295 HD13 LEU 37 HD13 LEU 37 -1.307 7.706 2.795 296 HD21 LEU 37 HD21 LEU 37 1.692 6.276 1.316 297 HD22 LEU 37 HD22 LEU 37 1.033 6.154 2.948 298 HD23 LEU 37 HD23 LEU 37 1.013 7.701 2.102 299 H LEU 38 H LEU 38 -2.269 2.263 1.573 300 HA LEU 38 HA LEU 38 -0.982 0.421 -0.203 301 HB2 LEU 38 HB2 LEU 38 -1.486 -0.066 2.184 302 HB3 LEU 38 HB3 LEU 38 -3.205 -0.067 1.805 303 HG LEU 38 HG LEU 38 -2.819 -1.962 0.217 304 HD11 LEU 38 HD11 LEU 38 -0.544 -3.189 0.696 305 HD12 LEU 38 HD12 LEU 38 0.018 -1.591 1.187 306 HD13 LEU 38 HD13 LEU 38 -0.570 -1.857 -0.454 307 HD21 LEU 38 HD21 LEU 38 -2.596 -3.645 1.954 308 HD22 LEU 38 HD22 LEU 38 -3.490 -2.276 2.616 309 HD23 LEU 38 HD23 LEU 38 -1.787 -2.495 3.019 310 H SER 39 H SER 39 -4.407 1.352 0.220 311 HA SER 39 HA SER 39 -5.593 -0.351 -1.655 312 HB2 SER 39 HB2 SER 39 -6.223 2.530 -0.977 313 HB3 SER 39 HB3 SER 39 -7.246 1.548 -2.023 314 HG SER 39 HG SER 39 -6.692 0.112 0.121 315 H ARG 40 H ARG 40 -3.601 2.494 -2.219 316 HA ARG 40 HA ARG 40 -4.242 2.641 -5.067 317 HB2 ARG 40 HB2 ARG 40 -3.377 4.563 -3.599 318 HB3 ARG 40 HB3 ARG 40 -1.799 3.791 -3.695 319 HG2 ARG 40 HG2 ARG 40 -1.681 5.282 -5.500 320 HG3 ARG 40 HG3 ARG 40 -2.239 3.819 -6.304 321 HD2 ARG 40 HD2 ARG 40 -4.548 4.622 -6.249 322 HD3 ARG 40 HD3 ARG 40 -4.067 6.032 -5.305 323 HE ARG 40 HE ARG 40 -2.547 5.983 -7.720 324 HH11 ARG 40 HH11 ARG 40 -5.751 6.408 -6.515 325 HH12 ARG 40 HH12 ARG 40 -6.231 7.475 -7.792 326 HH21 ARG 40 HH21 ARG 40 -3.157 7.371 -9.394 327 HH22 ARG 40 HH22 ARG 40 -4.762 8.020 -9.421 328 H LEU 41 H LEU 41 -1.677 1.214 -3.083 329 HA LEU 41 HA LEU 41 0.094 0.452 -5.160 330 HB2 LEU 41 HB2 LEU 41 -0.473 -0.460 -2.372 331 HB3 LEU 41 HB3 LEU 41 0.370 -1.625 -3.382 332 HG LEU 41 HG LEU 41 2.072 0.134 -3.910 333 HD11 LEU 41 HD11 LEU 41 2.113 2.186 -2.599 334 HD12 LEU 41 HD12 LEU 41 0.669 1.692 -1.719 335 HD13 LEU 41 HD13 LEU 41 0.564 2.085 -3.434 336 HD21 LEU 41 HD21 LEU 41 3.067 0.153 -1.576 337 HD22 LEU 41 HD22 LEU 41 2.595 -1.440 -2.165 338 HD23 LEU 41 HD23 LEU 41 1.570 -0.588 -1.011 339 H MET 42 H MET 42 -2.697 -1.333 -3.796 340 HA MET 42 HA MET 42 -2.411 -3.538 -5.651 341 HB2 MET 42 HB2 MET 42 -4.676 -2.624 -3.861 342 HB3 MET 42 HB3 MET 42 -4.788 -4.062 -4.875 343 HG2 MET 42 HG2 MET 42 -2.971 -5.122 -3.732 344 HG3 MET 42 HG3 MET 42 -2.535 -3.629 -2.899 345 HE1 MET 42 HE1 MET 42 -2.465 -4.894 -0.660 346 HE2 MET 42 HE2 MET 42 -2.911 -6.397 -1.477 347 HE3 MET 42 HE3 MET 42 -3.763 -5.896 -0.019 348 H MET 43 H MET 43 -4.131 -0.472 -5.699 349 HA MET 43 HA MET 43 -5.989 -0.929 -7.756 350 HB2 MET 43 HB2 MET 43 -5.768 1.210 -6.486 351 HB3 MET 43 HB3 MET 43 -4.307 1.569 -7.406 352 HG2 MET 43 HG2 MET 43 -5.536 1.638 -9.477 353 HG3 MET 43 HG3 MET 43 -6.990 1.016 -8.697 354 HE1 MET 43 HE1 MET 43 -8.091 4.535 -9.600 355 HE2 MET 43 HE2 MET 43 -8.806 3.005 -9.072 356 HE3 MET 43 HE3 MET 43 -7.572 3.017 -10.330 357 H LYS 44 H LYS 44 -2.517 -0.355 -7.959 358 HA LYS 44 HA LYS 44 -2.608 -0.949 -10.908 359 HB2 LYS 44 HB2 LYS 44 -1.888 1.410 -10.153 360 HB3 LYS 44 HB3 LYS 44 -0.442 0.640 -9.502 361 HG2 LYS 44 HG2 LYS 44 0.121 -0.244 -11.712 362 HG3 LYS 44 HG3 LYS 44 -1.369 0.422 -12.384 363 HD2 LYS 44 HD2 LYS 44 -0.546 2.711 -11.614 364 HD3 LYS 44 HD3 LYS 44 1.011 1.946 -11.296 365 HE2 LYS 44 HE2 LYS 44 1.142 2.865 -13.508 366 HE3 LYS 44 HE3 LYS 44 0.969 1.121 -13.700 367 HZ1 LYS 44 HZ1 LYS 44 -0.911 3.254 -14.320 368 HZ2 LYS 44 HZ2 LYS 44 -1.576 1.837 -13.667 369 HZ3 LYS 44 HZ3 LYS 44 -0.661 1.763 -15.097 370 H ALA 45 H ALA 45 -2.552 -3.132 -9.335 371 HA ALA 45 HA ALA 45 0.097 -3.908 -8.489 372 HB1 ALA 45 HB1 ALA 45 -0.864 -6.107 -8.142 373 HB2 ALA 45 HB2 ALA 45 -2.252 -5.702 -9.153 374 HB3 ALA 45 HB3 ALA 45 -2.031 -4.902 -7.597 375 H GLY 46 H GLY 46 1.652 -3.945 -10.078 376 HA2 GLY 46 HA2 GLY 46 2.231 -5.927 -11.793 377 HA3 GLY 46 HA3 GLY 46 1.024 -5.068 -12.754 378 H SER 47 H SER 47 2.053 -2.557 -11.270 379 HA SER 47 HA SER 47 4.656 -2.170 -12.689 380 HB2 SER 47 HB2 SER 47 2.065 -0.958 -13.389 381 HB3 SER 47 HB3 SER 47 3.337 0.239 -13.169 382 HG SER 47 HG SER 47 4.541 -1.527 -14.504 383 HA PRO 48 HA PRO 48 5.714 0.030 -9.007 384 HB2 PRO 48 HB2 PRO 48 7.352 2.035 -9.914 385 HB3 PRO 48 HB3 PRO 48 7.839 0.327 -9.909 386 HG2 PRO 48 HG2 PRO 48 6.747 1.966 -12.171 387 HG3 PRO 48 HG3 PRO 48 8.123 0.842 -12.163 388 HD2 PRO 48 HD2 PRO 48 5.689 0.097 -13.114 389 HD3 PRO 48 HD3 PRO 48 6.747 -1.054 -12.266 390 H VAL 49 H VAL 49 4.280 1.258 -7.864 391 HA VAL 49 HA VAL 49 2.770 3.393 -9.190 392 HB VAL 49 HB VAL 49 1.770 1.812 -7.492 393 HG11 VAL 49 HG11 VAL 49 3.770 1.949 -5.936 394 HG12 VAL 49 HG12 VAL 49 2.199 2.127 -5.160 395 HG13 VAL 49 HG13 VAL 49 3.195 3.547 -5.462 396 HG21 VAL 49 HG21 VAL 49 1.638 4.776 -6.854 397 HG22 VAL 49 HG22 VAL 49 0.431 3.572 -6.398 398 HG23 VAL 49 HG23 VAL 49 0.698 3.952 -8.100 399 H HIS 50 H HIS 50 3.223 5.566 -9.046 400 HA HIS 50 HA HIS 50 5.745 6.470 -8.101 401 HB2 HIS 50 HB2 HIS 50 4.103 7.630 -9.730 402 HB3 HIS 50 HB3 HIS 50 3.295 8.242 -8.291 403 HD1 HIS 50 HD1 HIS 50 3.998 10.652 -8.202 404 HD2 HIS 50 HD2 HIS 50 7.240 8.118 -8.899 405 HE1 HIS 50 HE1 HIS 50 6.074 12.107 -8.147 406 HE2 HIS 50 HE2 HIS 50 8.050 10.572 -8.560 407 H ARG 51 H ARG 51 6.324 7.573 -6.158 408 HA ARG 51 HA ARG 51 4.802 6.738 -3.802 409 HB2 ARG 51 HB2 ARG 51 7.263 8.494 -4.045 410 HB3 ARG 51 HB3 ARG 51 6.624 7.826 -2.542 411 HG2 ARG 51 HG2 ARG 51 6.901 5.530 -3.513 412 HG3 ARG 51 HG3 ARG 51 7.692 6.264 -4.909 413 HD2 ARG 51 HD2 ARG 51 8.633 6.218 -2.040 414 HD3 ARG 51 HD3 ARG 51 9.479 5.643 -3.477 415 HE ARG 51 HE ARG 51 9.107 8.368 -3.923 416 HH11 ARG 51 HH11 ARG 51 10.493 6.353 -1.492 417 HH12 ARG 51 HH12 ARG 51 11.684 7.518 -1.018 418 HH21 ARG 51 HH21 ARG 51 10.655 9.900 -3.318 419 HH22 ARG 51 HH22 ARG 51 11.776 9.525 -2.052 420 H GLU 52 H GLU 52 4.980 9.589 -5.771 421 HA GLU 52 HA GLU 52 4.087 11.455 -3.745 422 HB2 GLU 52 HB2 GLU 52 5.233 12.051 -5.936 423 HB3 GLU 52 HB3 GLU 52 3.699 11.713 -6.737 424 HG2 GLU 52 HG2 GLU 52 2.624 13.370 -5.136 425 HG3 GLU 52 HG3 GLU 52 4.254 13.820 -4.634 426 H ILE 53 H ILE 53 2.450 9.343 -6.064 427 HA ILE 53 HA ILE 53 -0.158 10.499 -5.723 428 HB ILE 53 HB ILE 53 0.642 7.689 -6.536 429 HG12 ILE 53 HG12 ILE 53 -0.263 10.013 -8.264 430 HG13 ILE 53 HG13 ILE 53 1.435 9.658 -7.954 431 HG21 ILE 53 HG21 ILE 53 -1.658 7.630 -5.831 432 HG22 ILE 53 HG22 ILE 53 -1.677 7.723 -7.592 433 HG23 ILE 53 HG23 ILE 53 -2.005 9.164 -6.629 434 HD11 ILE 53 HD11 ILE 53 0.703 8.621 -10.065 435 HD12 ILE 53 HD12 ILE 53 -0.567 7.753 -9.203 436 HD13 ILE 53 HD13 ILE 53 1.127 7.386 -8.880 437 H LEU 54 H LEU 54 1.645 8.058 -3.944 438 HA LEU 54 HA LEU 54 -0.551 7.099 -2.351 439 HB2 LEU 54 HB2 LEU 54 2.316 7.302 -1.388 440 HB3 LEU 54 HB3 LEU 54 1.111 6.086 -0.978 441 HG LEU 54 HG LEU 54 2.441 6.458 -3.674 442 HD11 LEU 54 HD11 LEU 54 2.601 4.293 -1.558 443 HD12 LEU 54 HD12 LEU 54 3.895 5.384 -2.051 444 HD13 LEU 54 HD13 LEU 54 3.301 4.159 -3.172 445 HD21 LEU 54 HD21 LEU 54 0.201 5.738 -4.119 446 HD22 LEU 54 HD22 LEU 54 0.203 4.638 -2.740 447 HD23 LEU 54 HD23 LEU 54 1.179 4.274 -4.164 448 H TYR 55 H TYR 55 1.933 9.529 -1.771 449 HA TYR 55 HA TYR 55 0.946 10.469 0.749 450 HB2 TYR 55 HB2 TYR 55 2.588 11.783 -1.429 451 HB3 TYR 55 HB3 TYR 55 2.087 12.702 -0.012 452 HD1 TYR 55 HD1 TYR 55 2.453 11.400 2.310 453 HD2 TYR 55 HD2 TYR 55 4.683 10.693 -1.300 454 HE1 TYR 55 HE1 TYR 55 4.304 10.424 3.641 455 HE2 TYR 55 HE2 TYR 55 6.531 9.720 0.040 456 HH TYR 55 HH TYR 55 6.179 9.044 3.437 457 H ASN 56 H ASN 56 0.043 11.208 -2.560 458 HA ASN 56 HA ASN 56 -1.712 13.398 -1.928 459 HB2 ASN 56 HB2 ASN 56 -1.759 11.535 -4.318 460 HB3 ASN 56 HB3 ASN 56 -2.551 13.107 -4.212 461 HD21 ASN 56 HD21 ASN 56 -0.363 12.281 -6.090 462 HD22 ASN 56 HD22 ASN 56 0.916 13.359 -5.804 463 H ASP 57 H ASP 57 -2.021 9.941 -1.737 464 HA ASP 57 HA ASP 57 -4.800 9.637 -2.073 465 HB2 ASP 57 HB2 ASP 57 -2.972 7.841 -1.601 466 HB3 ASP 57 HB3 ASP 57 -3.321 8.147 0.100 467 H ILE 58 H ILE 58 -3.079 10.249 1.007 468 HA ILE 58 HA ILE 58 -5.624 10.859 2.351 469 HB ILE 58 HB ILE 58 -2.790 11.207 3.375 470 HG12 ILE 58 HG12 ILE 58 -4.699 8.886 3.791 471 HG13 ILE 58 HG13 ILE 58 -3.368 8.863 2.634 472 HG21 ILE 58 HG21 ILE 58 -4.511 12.440 4.654 473 HG22 ILE 58 HG22 ILE 58 -3.895 11.080 5.588 474 HG23 ILE 58 HG23 ILE 58 -5.465 10.965 4.794 475 HD11 ILE 58 HD11 ILE 58 -3.114 9.267 5.628 476 HD12 ILE 58 HD12 ILE 58 -1.774 9.309 4.481 477 HD13 ILE 58 HD13 ILE 58 -2.671 7.812 4.735 478 H TYR 59 H TYR 59 -2.835 12.676 1.115 479 HA TYR 59 HA TYR 59 -4.467 15.090 0.945 480 HB2 TYR 59 HB2 TYR 59 -3.154 16.461 2.475 481 HB3 TYR 59 HB3 TYR 59 -3.810 15.082 3.355 482 HD1 TYR 59 HD1 TYR 59 -0.764 16.489 1.780 483 HD2 TYR 59 HD2 TYR 59 -2.363 13.370 4.263 484 HE1 TYR 59 HE1 TYR 59 1.536 15.815 2.415 485 HE2 TYR 59 HE2 TYR 59 -0.063 12.697 4.898 486 HH TYR 59 HH TYR 59 2.662 14.634 4.253 487 H SER 60 H SER 60 -3.647 16.461 -0.597 488 HA SER 60 HA SER 60 -0.901 15.879 -1.690 489 HB2 SER 60 HB2 SER 60 -2.844 15.222 -3.174 490 HB3 SER 60 HB3 SER 60 -3.294 16.924 -3.229 491 HG SER 60 HG SER 60 -0.980 17.207 -3.888 492 H TRP 61 H TRP 61 -2.058 17.903 0.335 493 HA TRP 61 HA TRP 61 -1.774 20.484 -0.991 494 HB2 TRP 61 HB2 TRP 61 -3.227 20.344 0.937 495 HB3 TRP 61 HB3 TRP 61 -1.942 19.649 1.921 496 HD1 TRP 61 HD1 TRP 61 0.218 21.292 2.363 497 HE1 TRP 61 HE1 TRP 61 0.263 23.842 2.754 498 HE3 TRP 61 HE3 TRP 61 -4.336 22.556 0.436 499 HZ2 TRP 61 HZ2 TRP 61 -1.415 26.116 2.306 500 HZ3 TRP 61 HZ3 TRP 61 -5.089 24.917 0.430 501 HH2 TRP 61 HH2 TRP 61 -3.636 26.697 1.362 502 H ASP 62 H ASP 62 0.325 18.204 0.594 503 HA ASP 62 HA ASP 62 2.602 18.289 1.160 504 HB2 ASP 62 HB2 ASP 62 2.479 19.919 -1.378 505 HB3 ASP 62 HB3 ASP 62 3.980 19.353 -0.643 506 H ASN 63 H ASN 63 2.728 19.457 3.070 507 HA ASN 63 HA ASN 63 2.606 22.380 3.102 508 HB2 ASN 63 HB2 ASN 63 3.343 22.040 5.517 509 HB3 ASN 63 HB3 ASN 63 1.826 21.256 5.074 510 HD21 ASN 63 HD21 ASN 63 4.715 20.674 6.660 511 HD22 ASN 63 HD22 ASN 63 4.779 18.986 6.494 512 H GLU 64 H GLU 64 5.096 21.398 5.139 513 HA GLU 64 HA GLU 64 7.273 21.741 3.160 514 HB2 GLU 64 HB2 GLU 64 6.778 23.682 5.442 515 HB3 GLU 64 HB3 GLU 64 8.273 23.605 4.510 516 HG2 GLU 64 HG2 GLU 64 6.845 23.950 2.423 517 HG3 GLU 64 HG3 GLU 64 5.507 24.324 3.510 518 HA PRO 65 HA PRO 65 8.157 19.113 6.958 519 HB2 PRO 65 HB2 PRO 65 8.204 16.652 5.821 520 HB3 PRO 65 HB3 PRO 65 6.676 17.426 6.294 521 HG2 PRO 65 HG2 PRO 65 7.949 17.275 3.584 522 HG3 PRO 65 HG3 PRO 65 6.257 16.996 4.042 523 HD2 PRO 65 HD2 PRO 65 7.138 19.384 2.991 524 HD3 PRO 65 HD3 PRO 65 5.763 19.276 4.114 525 H ALA 66 H ALA 66 10.237 20.298 6.676 526 HA ALA 66 HA ALA 66 12.208 19.346 4.769 527 HB1 ALA 66 HB1 ALA 66 12.569 20.985 7.299 528 HB2 ALA 66 HB2 ALA 66 12.280 21.640 5.687 529 HB3 ALA 66 HB3 ALA 66 13.777 20.774 6.030 530 H THR 67 H THR 67 11.414 18.622 8.132 531 HA THR 67 HA THR 67 13.797 17.027 8.603 532 HB THR 67 HB THR 67 11.154 16.862 10.077 533 HG1 THR 67 HG1 THR 67 13.130 18.805 9.998 534 HG21 THR 67 HG21 THR 67 14.023 16.326 10.896 535 HG22 THR 67 HG22 THR 67 12.786 15.103 10.603 536 HG23 THR 67 HG23 THR 67 12.622 16.217 11.962 537 H ASN 68 H ASN 68 13.914 14.720 8.656 538 HA ASN 68 HA ASN 68 12.313 13.397 6.618 539 HB2 ASN 68 HB2 ASN 68 14.295 12.250 8.611 540 HB3 ASN 68 HB3 ASN 68 13.645 11.402 7.208 541 HD21 ASN 68 HD21 ASN 68 16.466 11.898 7.504 542 HD22 ASN 68 HD22 ASN 68 16.940 12.982 6.288 543 H THR 69 H THR 69 10.385 12.411 6.955 544 HA THR 69 HA THR 69 9.807 10.921 9.378 545 HB THR 69 HB THR 69 8.266 13.487 8.886 546 HG1 THR 69 HG1 THR 69 10.324 13.777 9.848 547 HG21 THR 69 HG21 THR 69 7.208 12.848 11.088 548 HG22 THR 69 HG22 THR 69 7.990 11.276 10.934 549 HG23 THR 69 HG23 THR 69 6.792 11.786 9.744 550 H LEU 70 H LEU 70 8.489 12.541 6.512 551 HA LEU 70 HA LEU 70 6.172 10.910 6.216 552 HB2 LEU 70 HB2 LEU 70 7.858 12.504 4.268 553 HB3 LEU 70 HB3 LEU 70 6.420 11.635 3.758 554 HG LEU 70 HG LEU 70 5.110 12.887 5.495 555 HD11 LEU 70 HD11 LEU 70 6.700 13.603 7.089 556 HD12 LEU 70 HD12 LEU 70 6.287 15.082 6.233 557 HD13 LEU 70 HD13 LEU 70 7.790 14.239 5.858 558 HD21 LEU 70 HD21 LEU 70 6.580 14.600 3.466 559 HD22 LEU 70 HD22 LEU 70 5.015 14.969 4.193 560 HD23 LEU 70 HD23 LEU 70 5.182 13.585 3.114 561 H GLU 71 H GLU 71 9.441 10.639 4.804 562 HA GLU 71 HA GLU 71 8.865 8.138 3.462 563 HB2 GLU 71 HB2 GLU 71 11.550 9.292 4.278 564 HB3 GLU 71 HB3 GLU 71 11.281 8.026 3.080 565 HG2 GLU 71 HG2 GLU 71 10.063 9.557 1.647 566 HG3 GLU 71 HG3 GLU 71 10.123 10.820 2.877 567 H VAL 72 H VAL 72 10.059 9.027 6.648 568 HA VAL 72 HA VAL 72 10.908 6.345 7.345 569 HB VAL 72 HB VAL 72 10.091 8.543 9.250 570 HG11 VAL 72 HG11 VAL 72 10.478 6.361 10.285 571 HG12 VAL 72 HG12 VAL 72 11.806 7.449 10.694 572 HG13 VAL 72 HG13 VAL 72 12.025 6.215 9.452 573 HG21 VAL 72 HG21 VAL 72 12.702 8.107 7.774 574 HG22 VAL 72 HG22 VAL 72 12.546 9.151 9.187 575 HG23 VAL 72 HG23 VAL 72 11.665 9.532 7.708 576 H HIS 73 H HIS 73 7.931 8.206 7.734 577 HA HIS 73 HA HIS 73 6.544 6.395 9.434 578 HB2 HIS 73 HB2 HIS 73 5.705 8.666 8.674 579 HB3 HIS 73 HB3 HIS 73 5.326 7.932 7.116 580 HD1 HIS 73 HD1 HIS 73 4.815 6.351 10.533 581 HD2 HIS 73 HD2 HIS 73 2.546 7.755 7.328 582 HE1 HIS 73 HE1 HIS 73 2.413 5.702 11.015 583 HE2 HIS 73 HE2 HIS 73 1.024 6.553 9.071 584 H ILE 74 H ILE 74 7.013 6.476 5.941 585 HA ILE 74 HA ILE 74 5.409 4.174 5.337 586 HB ILE 74 HB ILE 74 7.783 5.357 3.866 587 HG12 ILE 74 HG12 ILE 74 4.807 5.521 3.296 588 HG13 ILE 74 HG13 ILE 74 5.703 6.763 4.169 589 HG21 ILE 74 HG21 ILE 74 5.814 3.181 3.096 590 HG22 ILE 74 HG22 ILE 74 7.573 3.071 3.132 591 HG23 ILE 74 HG23 ILE 74 6.778 4.056 1.908 592 HD11 ILE 74 HD11 ILE 74 7.204 7.023 2.209 593 HD12 ILE 74 HD12 ILE 74 5.524 7.369 1.804 594 HD13 ILE 74 HD13 ILE 74 6.244 5.830 1.337 595 H HIS 75 H HIS 75 8.796 4.572 6.304 596 HA HIS 75 HA HIS 75 9.535 1.820 5.875 597 HB2 HIS 75 HB2 HIS 75 10.605 3.888 7.824 598 HB3 HIS 75 HB3 HIS 75 11.340 2.306 7.570 599 HD1 HIS 75 HD1 HIS 75 10.635 2.412 4.387 600 HD2 HIS 75 HD2 HIS 75 12.844 5.192 6.577 601 HE1 HIS 75 HE1 HIS 75 12.104 3.634 2.722 602 HE2 HIS 75 HE2 HIS 75 13.453 5.327 4.044 603 H ASN 76 H ASN 76 8.026 3.566 8.539 604 HA ASN 76 HA ASN 76 8.038 1.360 10.400 605 HB2 ASN 76 HB2 ASN 76 6.239 3.795 10.209 606 HB3 ASN 76 HB3 ASN 76 6.257 2.674 11.571 607 HD21 ASN 76 HD21 ASN 76 8.654 2.303 12.454 608 HD22 ASN 76 HD22 ASN 76 9.588 3.711 12.612 609 H LEU 77 H LEU 77 5.660 2.588 8.060 610 HA LEU 77 HA LEU 77 3.703 0.531 8.667 611 HB2 LEU 77 HB2 LEU 77 4.018 2.255 6.188 612 HB3 LEU 77 HB3 LEU 77 2.596 1.293 6.586 613 HG LEU 77 HG LEU 77 3.697 3.497 8.358 614 HD11 LEU 77 HD11 LEU 77 2.959 4.528 6.313 615 HD12 LEU 77 HD12 LEU 77 1.684 4.777 7.507 616 HD13 LEU 77 HD13 LEU 77 1.504 3.532 6.270 617 HD21 LEU 77 HD21 LEU 77 1.215 3.324 9.197 618 HD22 LEU 77 HD22 LEU 77 2.373 2.115 9.737 619 HD23 LEU 77 HD23 LEU 77 1.239 1.731 8.442 620 H ARG 78 H ARG 78 6.454 0.813 6.504 621 HA ARG 78 HA ARG 78 5.951 -1.220 4.652 622 HB2 ARG 78 HB2 ARG 78 7.976 0.243 4.685 623 HB3 ARG 78 HB3 ARG 78 8.595 -0.704 6.038 624 HG2 ARG 78 HG2 ARG 78 8.628 -2.720 4.682 625 HG3 ARG 78 HG3 ARG 78 7.856 -1.872 3.341 626 HD2 ARG 78 HD2 ARG 78 10.221 -1.962 2.869 627 HD3 ARG 78 HD3 ARG 78 9.834 -0.299 3.310 628 HE ARG 78 HE ARG 78 10.606 -1.691 5.673 629 HH11 ARG 78 HH11 ARG 78 11.843 -0.565 2.657 630 HH12 ARG 78 HH12 ARG 78 13.453 -0.334 3.253 631 HH21 ARG 78 HH21 ARG 78 12.700 -1.397 6.467 632 HH22 ARG 78 HH22 ARG 78 13.938 -0.805 5.410 633 H GLU 79 H GLU 79 7.412 -1.562 7.899 634 HA GLU 79 HA GLU 79 7.669 -4.410 7.786 635 HB2 GLU 79 HB2 GLU 79 7.295 -2.630 10.213 636 HB3 GLU 79 HB3 GLU 79 7.905 -4.286 10.234 637 HG2 GLU 79 HG2 GLU 79 9.206 -2.050 8.658 638 HG3 GLU 79 HG3 GLU 79 9.706 -2.514 10.285 639 H LYS 80 H LYS 80 4.916 -2.357 8.512 640 HA LYS 80 HA LYS 80 3.362 -4.396 9.831 641 HB2 LYS 80 HB2 LYS 80 2.478 -1.873 8.404 642 HB3 LYS 80 HB3 LYS 80 1.450 -2.864 9.440 643 HG2 LYS 80 HG2 LYS 80 3.143 -2.515 11.292 644 HG3 LYS 80 HG3 LYS 80 3.934 -1.332 10.249 645 HD2 LYS 80 HD2 LYS 80 1.705 -0.141 10.073 646 HD3 LYS 80 HD3 LYS 80 1.109 -1.222 11.333 647 HE2 LYS 80 HE2 LYS 80 2.977 -0.460 12.810 648 HE3 LYS 80 HE3 LYS 80 3.440 0.702 11.566 649 HZ1 LYS 80 HZ1 LYS 80 0.739 0.586 12.786 650 HZ2 LYS 80 HZ2 LYS 80 1.354 1.791 11.763 651 HZ3 LYS 80 HZ3 LYS 80 1.977 1.614 13.333 652 H ILE 81 H ILE 81 3.448 -3.195 6.481 653 HA ILE 81 HA ILE 81 1.374 -4.985 5.566 654 HB ILE 81 HB ILE 81 2.276 -4.372 3.269 655 HG12 ILE 81 HG12 ILE 81 4.100 -2.619 4.934 656 HG13 ILE 81 HG13 ILE 81 4.625 -4.029 4.018 657 HG21 ILE 81 HG21 ILE 81 1.757 -2.044 5.144 658 HG22 ILE 81 HG22 ILE 81 0.497 -3.078 4.471 659 HG23 ILE 81 HG23 ILE 81 1.475 -2.074 3.403 660 HD11 ILE 81 HD11 ILE 81 3.589 -2.875 1.966 661 HD12 ILE 81 HD12 ILE 81 5.072 -2.166 2.605 662 HD13 ILE 81 HD13 ILE 81 3.513 -1.423 2.964 663 H GLY 82 H GLY 82 4.692 -5.432 6.292 664 HA2 GLY 82 HA2 GLY 82 5.946 -7.425 6.227 665 HA3 GLY 82 HA3 GLY 82 4.543 -8.236 5.528 666 H LYS 83 H LYS 83 7.297 -6.179 4.784 667 HA LYS 83 HA LYS 83 7.085 -5.829 2.039 668 HB2 LYS 83 HB2 LYS 83 8.961 -4.937 3.321 669 HB3 LYS 83 HB3 LYS 83 9.565 -6.567 3.616 670 HG2 LYS 83 HG2 LYS 83 10.070 -6.896 1.292 671 HG3 LYS 83 HG3 LYS 83 9.200 -5.432 0.832 672 HD2 LYS 83 HD2 LYS 83 10.841 -4.022 1.865 673 HD3 LYS 83 HD3 LYS 83 11.608 -5.393 2.668 674 HE2 LYS 83 HE2 LYS 83 12.395 -6.278 0.567 675 HE3 LYS 83 HE3 LYS 83 11.449 -5.101 -0.344 676 HZ1 LYS 83 HZ1 LYS 83 12.847 -3.454 1.151 677 HZ2 LYS 83 HZ2 LYS 83 13.432 -4.037 -0.330 678 HZ3 LYS 83 HZ3 LYS 83 13.947 -4.749 1.125 679 H SER 84 H SER 84 7.373 -8.794 3.729 680 HA SER 84 HA SER 84 8.674 -10.454 1.856 681 HB2 SER 84 HB2 SER 84 7.971 -11.136 4.161 682 HB3 SER 84 HB3 SER 84 6.308 -11.219 3.587 683 HG SER 84 HG SER 84 7.332 -13.252 3.481 684 H ARG 85 H ARG 85 5.156 -9.815 2.144 685 HA ARG 85 HA ARG 85 4.687 -11.169 -0.445 686 HB2 ARG 85 HB2 ARG 85 2.686 -9.621 1.216 687 HB3 ARG 85 HB3 ARG 85 2.359 -10.867 0.011 688 HG2 ARG 85 HG2 ARG 85 3.738 -11.262 2.684 689 HG3 ARG 85 HG3 ARG 85 2.134 -11.838 2.234 690 HD2 ARG 85 HD2 ARG 85 3.349 -13.098 0.312 691 HD3 ARG 85 HD3 ARG 85 4.818 -12.803 1.246 692 HE ARG 85 HE ARG 85 3.047 -13.887 3.089 693 HH11 ARG 85 HH11 ARG 85 4.299 -14.738 -0.010 694 HH12 ARG 85 HH12 ARG 85 4.216 -16.443 0.278 695 HH21 ARG 85 HH21 ARG 85 2.932 -16.109 3.482 696 HH22 ARG 85 HH22 ARG 85 3.442 -17.220 2.255 697 H ILE 86 H ILE 86 6.003 -8.291 0.136 698 HA ILE 86 HA ILE 86 4.560 -6.932 -2.135 699 HB ILE 86 HB ILE 86 6.132 -5.420 -0.040 700 HG12 ILE 86 HG12 ILE 86 4.433 -6.796 1.189 701 HG13 ILE 86 HG13 ILE 86 4.140 -5.070 1.298 702 HG21 ILE 86 HG21 ILE 86 4.554 -3.612 -0.686 703 HG22 ILE 86 HG22 ILE 86 3.829 -4.702 -1.865 704 HG23 ILE 86 HG23 ILE 86 5.511 -4.207 -2.041 705 HD11 ILE 86 HD11 ILE 86 2.749 -6.907 -0.671 706 HD12 ILE 86 HD12 ILE 86 2.403 -5.201 -0.408 707 HD13 ILE 86 HD13 ILE 86 2.063 -6.376 0.857 708 H ARG 87 H ARG 87 6.043 -5.426 -3.351 709 HA ARG 87 HA ARG 87 8.924 -6.221 -3.262 710 HB2 ARG 87 HB2 ARG 87 7.657 -7.640 -4.955 711 HB3 ARG 87 HB3 ARG 87 7.330 -6.150 -5.841 712 HG2 ARG 87 HG2 ARG 87 9.795 -5.721 -5.931 713 HG3 ARG 87 HG3 ARG 87 10.058 -7.296 -5.181 714 HD2 ARG 87 HD2 ARG 87 8.650 -6.802 -7.821 715 HD3 ARG 87 HD3 ARG 87 10.269 -7.474 -7.623 716 HE ARG 87 HE ARG 87 7.781 -8.929 -7.302 717 HH11 ARG 87 HH11 ARG 87 11.037 -8.570 -6.223 718 HH12 ARG 87 HH12 ARG 87 11.190 -10.220 -5.717 719 HH21 ARG 87 HH21 ARG 87 7.963 -11.084 -6.647 720 HH22 ARG 87 HH22 ARG 87 9.451 -11.642 -5.957 721 H THR 88 H THR 88 9.943 -4.300 -2.997 722 HA THR 88 HA THR 88 8.733 -1.804 -4.000 723 HB THR 88 HB THR 88 10.307 -0.688 -2.651 724 HG1 THR 88 HG1 THR 88 11.869 -2.822 -3.389 725 HG21 THR 88 HG21 THR 88 10.227 -1.785 -0.520 726 HG22 THR 88 HG22 THR 88 10.109 -3.374 -1.273 727 HG23 THR 88 HG23 THR 88 8.757 -2.247 -1.377 728 H VAL 89 H VAL 89 9.485 -0.645 -5.753 729 HA VAL 89 HA VAL 89 11.653 -1.906 -7.402 730 HB VAL 89 HB VAL 89 9.503 0.079 -8.204 731 HG11 VAL 89 HG11 VAL 89 10.225 -0.649 -10.513 732 HG12 VAL 89 HG12 VAL 89 11.588 -1.478 -9.758 733 HG13 VAL 89 HG13 VAL 89 11.441 0.276 -9.633 734 HG21 VAL 89 HG21 VAL 89 9.731 -2.925 -8.572 735 HG22 VAL 89 HG22 VAL 89 8.555 -1.913 -9.409 736 HG23 VAL 89 HG23 VAL 89 8.494 -2.064 -7.654 737 H ARG 90 H ARG 90 13.441 -0.906 -6.359 738 HA ARG 90 HA ARG 90 14.936 0.833 -5.849 739 HB2 ARG 90 HB2 ARG 90 13.587 1.877 -8.353 740 HB3 ARG 90 HB3 ARG 90 14.992 2.648 -7.618 741 HG2 ARG 90 HG2 ARG 90 16.321 0.642 -7.911 742 HG3 ARG 90 HG3 ARG 90 14.914 -0.258 -8.475 743 HD2 ARG 90 HD2 ARG 90 14.722 1.309 -10.402 744 HD3 ARG 90 HD3 ARG 90 16.192 2.119 -9.858 745 HE ARG 90 HE ARG 90 16.715 -0.680 -10.143 746 HH11 ARG 90 HH11 ARG 90 16.039 2.190 -11.930 747 HH12 ARG 90 HH12 ARG 90 16.911 1.678 -13.336 748 HH21 ARG 90 HH21 ARG 90 17.859 -1.364 -11.968 749 HH22 ARG 90 HH22 ARG 90 17.941 -0.333 -13.358 750 H GLY 91 H GLY 91 14.917 3.466 -5.702 751 HA2 GLY 91 HA2 GLY 91 12.746 4.059 -3.798 752 HA3 GLY 91 HA3 GLY 91 14.143 5.082 -4.137 753 H PHE 92 H PHE 92 11.462 3.767 -6.119 754 HA PHE 92 HA PHE 92 10.800 6.542 -6.971 755 HB2 PHE 92 HB2 PHE 92 12.125 5.651 -8.780 756 HB3 PHE 92 HB3 PHE 92 11.241 4.127 -8.744 757 HD1 PHE 92 HD1 PHE 92 8.955 3.968 -9.611 758 HD2 PHE 92 HD2 PHE 92 11.139 7.664 -9.762 759 HE1 PHE 92 HE1 PHE 92 7.291 4.885 -11.204 760 HE2 PHE 92 HE2 PHE 92 9.474 8.580 -11.358 761 HZ PHE 92 HZ PHE 92 7.549 7.190 -12.076 762 H GLY 93 H GLY 93 9.748 3.203 -6.474 763 HA2 GLY 93 HA2 GLY 93 7.073 4.126 -5.828 764 HA3 GLY 93 HA3 GLY 93 7.120 3.342 -7.406 765 H TYR 94 H TYR 94 5.566 1.934 -6.086 766 HA TYR 94 HA TYR 94 7.098 -0.343 -4.871 767 HB2 TYR 94 HB2 TYR 94 4.648 1.103 -3.869 768 HB3 TYR 94 HB3 TYR 94 4.798 -0.623 -3.544 769 HD1 TYR 94 HD1 TYR 94 6.723 2.584 -3.301 770 HD2 TYR 94 HD2 TYR 94 6.067 -1.344 -1.687 771 HE1 TYR 94 HE1 TYR 94 8.285 3.082 -1.445 772 HE2 TYR 94 HE2 TYR 94 7.625 -0.844 0.168 773 HH TYR 94 HH TYR 94 9.253 0.598 0.865 774 H MET 95 H MET 95 6.043 -2.423 -5.207 775 HA MET 95 HA MET 95 3.797 -2.514 -7.133 776 HB2 MET 95 HB2 MET 95 5.694 -2.271 -8.637 777 HB3 MET 95 HB3 MET 95 6.565 -3.554 -7.807 778 HG2 MET 95 HG2 MET 95 5.022 -5.220 -8.565 779 HG3 MET 95 HG3 MET 95 3.872 -4.000 -9.113 780 HE1 MET 95 HE1 MET 95 7.346 -5.281 -9.234 781 HE2 MET 95 HE2 MET 95 7.872 -5.220 -10.922 782 HE3 MET 95 HE3 MET 95 6.674 -6.406 -10.411 783 H LEU 96 H LEU 96 2.578 -4.275 -6.756 784 HA LEU 96 HA LEU 96 3.508 -6.244 -4.733 785 HB2 LEU 96 HB2 LEU 96 0.853 -5.452 -5.920 786 HB3 LEU 96 HB3 LEU 96 1.001 -7.036 -5.162 787 HG LEU 96 HG LEU 96 1.751 -6.000 -3.073 788 HD11 LEU 96 HD11 LEU 96 1.670 -3.512 -2.860 789 HD12 LEU 96 HD12 LEU 96 1.436 -3.399 -4.603 790 HD13 LEU 96 HD13 LEU 96 2.937 -4.056 -3.954 791 HD21 LEU 96 HD21 LEU 96 -0.699 -4.547 -4.103 792 HD22 LEU 96 HD22 LEU 96 -0.343 -4.985 -2.433 793 HD23 LEU 96 HD23 LEU 96 -0.707 -6.241 -3.616 794 H ALA 97 H ALA 97 3.685 -8.470 -5.172 795 HA ALA 97 HA ALA 97 4.487 -9.209 -7.821 796 HB1 ALA 97 HB1 ALA 97 4.390 -11.557 -6.914 797 HB2 ALA 97 HB2 ALA 97 3.694 -10.900 -5.433 798 HB3 ALA 97 HB3 ALA 97 5.329 -10.447 -5.916 799 H ASN 98 H ASN 98 2.990 -9.092 -9.454 800 HA ASN 98 HA ASN 98 0.179 -9.604 -9.095 801 HB2 ASN 98 HB2 ASN 98 1.143 -8.217 -10.945 802 HB3 ASN 98 HB3 ASN 98 1.784 -9.693 -11.667 803 HD21 ASN 98 HD21 ASN 98 -0.012 -8.302 -13.231 804 HD22 ASN 98 HD22 ASN 98 -1.515 -9.090 -13.268 805 H ASN 99 H ASN 99 0.715 -11.734 -7.885 806 HA ASN 99 HA ASN 99 0.734 -14.082 -7.844 807 HB2 ASN 99 HB2 ASN 99 -0.639 -13.624 -10.511 808 HB3 ASN 99 HB3 ASN 99 -0.632 -15.148 -9.622 809 HD21 ASN 99 HD21 ASN 99 -1.432 -11.671 -9.032 810 HD22 ASN 99 HD22 ASN 99 -2.777 -12.001 -8.052 811 H ILE 100 H ILE 100 3.156 -12.954 -8.742 812 HA ILE 100 HA ILE 100 4.018 -14.284 -11.189 813 HB ILE 100 HB ILE 100 5.757 -13.091 -9.012 814 HG12 ILE 100 HG12 ILE 100 4.651 -11.709 -11.476 815 HG13 ILE 100 HG13 ILE 100 3.979 -11.506 -9.860 816 HG21 ILE 100 HG21 ILE 100 6.173 -13.674 -11.959 817 HG22 ILE 100 HG22 ILE 100 7.023 -14.405 -10.600 818 HG23 ILE 100 HG23 ILE 100 7.287 -12.710 -10.992 819 HD11 ILE 100 HD11 ILE 100 5.529 -9.681 -10.312 820 HD12 ILE 100 HD12 ILE 100 6.804 -10.829 -10.720 821 HD13 ILE 100 HD13 ILE 100 6.208 -10.725 -9.064 822 H ASP 101 H ASP 101 3.530 -15.224 -8.015 823 HA ASP 101 HA ASP 101 5.636 -17.140 -7.658 824 HB2 ASP 101 HB2 ASP 101 2.823 -17.092 -6.526 825 HB3 ASP 101 HB3 ASP 101 4.116 -18.153 -5.964 826 H THR 102 H THR 102 2.354 -17.414 -8.986 827 HA THR 102 HA THR 102 2.691 -20.251 -9.622 828 HB THR 102 HB THR 102 0.488 -20.112 -10.568 829 HG1 THR 102 HG1 THR 102 -0.338 -18.282 -11.313 830 HG21 THR 102 HG21 THR 102 0.724 -19.836 -8.063 831 HG22 THR 102 HG22 THR 102 -0.774 -19.195 -8.738 832 HG23 THR 102 HG23 THR 102 0.539 -18.099 -8.309 833 H GLU 103 H GLU 103 4.831 -18.937 -10.731 834 HA GLU 103 HA GLU 103 5.954 -18.566 -12.759 835 HB2 GLU 103 HB2 GLU 103 3.771 -20.322 -13.915 836 HB3 GLU 103 HB3 GLU 103 5.404 -20.094 -14.542 837 HG2 GLU 103 HG2 GLU 103 6.309 -21.074 -12.429 838 HG3 GLU 103 HG3 GLU 103 4.654 -21.400 -11.910 Start of MODEL 2 1 H1 ASN 1 H1 ASN 1 -23.935 -0.099 0.568 2 H2 ASN 1 H2 ASN 1 -23.814 0.568 -0.990 3 H3 ASN 1 H3 ASN 1 -22.690 -0.595 -0.472 4 HA ASN 1 HA ASN 1 -24.220 -2.330 -0.580 5 HB2 ASN 1 HB2 ASN 1 -26.329 -0.164 -0.849 6 HB3 ASN 1 HB3 ASN 1 -26.642 -1.899 -0.913 7 HD21 ASN 1 HD21 ASN 1 -26.459 -3.126 1.090 8 HD22 ASN 1 HD22 ASN 1 -26.367 -2.355 2.599 9 H GLN 2 H GLN 2 -24.724 -3.347 -2.566 10 HA GLN 2 HA GLN 2 -24.503 -3.629 -4.889 11 HB2 GLN 2 HB2 GLN 2 -25.841 -0.905 -4.885 12 HB3 GLN 2 HB3 GLN 2 -25.784 -2.027 -6.244 13 HG2 GLN 2 HG2 GLN 2 -27.009 -3.706 -4.906 14 HG3 GLN 2 HG3 GLN 2 -27.082 -2.572 -3.557 15 HE21 GLN 2 HE21 GLN 2 -28.496 -0.691 -3.773 16 HE22 GLN 2 HE22 GLN 2 -29.677 -0.611 -4.990 17 H GLY 3 H GLY 3 -22.184 -2.626 -3.644 18 HA2 GLY 3 HA2 GLY 3 -20.851 -1.426 -5.935 19 HA3 GLY 3 HA3 GLY 3 -21.002 -0.302 -4.584 20 H ASP 4 H ASP 4 -20.722 -3.696 -3.896 21 HA ASP 4 HA ASP 4 -18.537 -3.440 -2.146 22 HB2 ASP 4 HB2 ASP 4 -18.201 -5.909 -2.528 23 HB3 ASP 4 HB3 ASP 4 -19.866 -5.464 -2.151 24 H ASN 5 H ASN 5 -16.285 -4.330 -2.490 25 HA ASN 5 HA ASN 5 -15.235 -4.454 -5.195 26 HB2 ASN 5 HB2 ASN 5 -13.678 -2.429 -4.747 27 HB3 ASN 5 HB3 ASN 5 -15.347 -2.083 -5.204 28 HD21 ASN 5 HD21 ASN 5 -14.999 -3.385 -2.018 29 HD22 ASN 5 HD22 ASN 5 -15.173 -1.925 -1.170 30 H GLU 6 H GLU 6 -13.554 -5.842 -5.060 31 HA GLU 6 HA GLU 6 -11.588 -5.696 -2.910 32 HB2 GLU 6 HB2 GLU 6 -12.014 -8.008 -2.072 33 HB3 GLU 6 HB3 GLU 6 -13.347 -6.909 -1.720 34 HG2 GLU 6 HG2 GLU 6 -14.507 -7.733 -3.778 35 HG3 GLU 6 HG3 GLU 6 -13.213 -8.913 -3.991 36 H ILE 7 H ILE 7 -9.813 -7.216 -3.276 37 HA ILE 7 HA ILE 7 -9.823 -8.753 -5.808 38 HB ILE 7 HB ILE 7 -7.687 -7.631 -6.536 39 HG12 ILE 7 HG12 ILE 7 -8.491 -5.613 -4.416 40 HG13 ILE 7 HG13 ILE 7 -7.087 -6.678 -4.334 41 HG21 ILE 7 HG21 ILE 7 -8.788 -5.755 -7.572 42 HG22 ILE 7 HG22 ILE 7 -10.004 -5.693 -6.296 43 HG23 ILE 7 HG23 ILE 7 -9.986 -7.042 -7.431 44 HD11 ILE 7 HD11 ILE 7 -6.295 -5.650 -6.505 45 HD12 ILE 7 HD12 ILE 7 -6.315 -4.542 -5.134 46 HD13 ILE 7 HD13 ILE 7 -7.594 -4.468 -6.343 47 H SER 8 H SER 8 -7.784 -10.065 -5.972 48 HA SER 8 HA SER 8 -6.527 -10.590 -3.288 49 HB2 SER 8 HB2 SER 8 -6.604 -12.992 -3.809 50 HB3 SER 8 HB3 SER 8 -8.229 -12.311 -3.789 51 HG SER 8 HG SER 8 -7.763 -11.996 -6.166 52 H VAL 9 H VAL 9 -4.362 -10.686 -3.332 53 HA VAL 9 HA VAL 9 -2.967 -10.946 -5.993 54 HB VAL 9 HB VAL 9 -2.051 -9.369 -3.566 55 HG11 VAL 9 HG11 VAL 9 -1.001 -9.672 -6.393 56 HG12 VAL 9 HG12 VAL 9 -0.189 -10.138 -4.898 57 HG13 VAL 9 HG13 VAL 9 -0.440 -8.432 -5.271 58 HG21 VAL 9 HG21 VAL 9 -2.558 -7.380 -5.002 59 HG22 VAL 9 HG22 VAL 9 -4.004 -8.289 -4.557 60 HG23 VAL 9 HG23 VAL 9 -3.316 -8.462 -6.172 61 H GLY 10 H GLY 10 -2.681 -13.201 -5.709 62 HA2 GLY 10 HA2 GLY 10 -1.379 -15.059 -5.057 63 HA3 GLY 10 HA3 GLY 10 -0.379 -13.953 -4.110 64 H ASN 11 H ASN 11 -0.459 -14.378 -1.963 65 HA ASN 11 HA ASN 11 -2.830 -15.794 -0.837 66 HB2 ASN 11 HB2 ASN 11 -0.383 -16.502 -0.409 67 HB3 ASN 11 HB3 ASN 11 -0.275 -15.086 0.636 68 HD21 ASN 11 HD21 ASN 11 -0.095 -17.837 1.596 69 HD22 ASN 11 HD22 ASN 11 -1.424 -18.100 2.621 70 H LEU 12 H LEU 12 -2.294 -12.727 -1.512 71 HA LEU 12 HA LEU 12 -3.086 -11.593 1.147 72 HB2 LEU 12 HB2 LEU 12 -1.982 -10.342 -1.388 73 HB3 LEU 12 HB3 LEU 12 -2.642 -9.386 -0.067 74 HG LEU 12 HG LEU 12 -0.998 -10.554 1.478 75 HD11 LEU 12 HD11 LEU 12 -0.042 -11.622 -1.188 76 HD12 LEU 12 HD12 LEU 12 -0.329 -12.499 0.312 77 HD13 LEU 12 HD13 LEU 12 1.064 -11.441 0.170 78 HD21 LEU 12 HD21 LEU 12 0.194 -8.966 -0.818 79 HD22 LEU 12 HD22 LEU 12 0.867 -9.117 0.805 80 HD23 LEU 12 HD23 LEU 12 -0.655 -8.262 0.558 81 H ARG 13 H ARG 13 -5.197 -11.082 1.427 82 HA ARG 13 HA ARG 13 -6.970 -10.839 -0.992 83 HB2 ARG 13 HB2 ARG 13 -7.539 -11.665 1.856 84 HB3 ARG 13 HB3 ARG 13 -8.815 -11.262 0.712 85 HG2 ARG 13 HG2 ARG 13 -7.933 -13.004 -0.834 86 HG3 ARG 13 HG3 ARG 13 -6.733 -13.442 0.383 87 HD2 ARG 13 HD2 ARG 13 -8.582 -14.971 0.619 88 HD3 ARG 13 HD3 ARG 13 -8.644 -13.859 1.985 89 HE ARG 13 HE ARG 13 -10.265 -12.672 0.065 90 HH11 ARG 13 HH11 ARG 13 -10.031 -15.739 1.627 91 HH12 ARG 13 HH12 ARG 13 -11.734 -16.054 1.553 92 HH21 ARG 13 HH21 ARG 13 -12.488 -13.069 -0.040 93 HH22 ARG 13 HH22 ARG 13 -13.123 -14.543 0.609 94 H LEU 14 H LEU 14 -7.481 -8.781 -1.473 95 HA LEU 14 HA LEU 14 -7.352 -6.700 0.676 96 HB2 LEU 14 HB2 LEU 14 -6.221 -6.726 -1.817 97 HB3 LEU 14 HB3 LEU 14 -7.732 -5.911 -2.191 98 HG LEU 14 HG LEU 14 -5.765 -5.070 -0.036 99 HD11 LEU 14 HD11 LEU 14 -5.357 -3.143 -1.540 100 HD12 LEU 14 HD12 LEU 14 -6.432 -3.862 -2.739 101 HD13 LEU 14 HD13 LEU 14 -4.922 -4.667 -2.312 102 HD21 LEU 14 HD21 LEU 14 -7.963 -4.417 0.648 103 HD22 LEU 14 HD22 LEU 14 -8.410 -3.939 -0.989 104 HD23 LEU 14 HD23 LEU 14 -7.244 -2.982 -0.076 105 H ASN 15 H ASN 15 -9.195 -5.666 1.331 106 HA ASN 15 HA ASN 15 -11.701 -5.957 -0.290 107 HB2 ASN 15 HB2 ASN 15 -11.308 -6.601 2.643 108 HB3 ASN 15 HB3 ASN 15 -12.899 -6.245 1.968 109 HD21 ASN 15 HD21 ASN 15 -13.697 -8.435 2.238 110 HD22 ASN 15 HD22 ASN 15 -13.103 -9.725 1.307 111 H VAL 16 H VAL 16 -11.739 -3.809 -0.909 112 HA VAL 16 HA VAL 16 -11.207 -1.614 0.917 113 HB VAL 16 HB VAL 16 -12.697 -1.574 -1.717 114 HG11 VAL 16 HG11 VAL 16 -11.819 0.772 -1.775 115 HG12 VAL 16 HG12 VAL 16 -11.187 0.539 -0.144 116 HG13 VAL 16 HG13 VAL 16 -12.927 0.488 -0.433 117 HG21 VAL 16 HG21 VAL 16 -10.563 -2.619 -2.118 118 HG22 VAL 16 HG22 VAL 16 -9.733 -1.453 -1.089 119 HG23 VAL 16 HG23 VAL 16 -10.412 -0.940 -2.633 120 H THR 17 H THR 17 -14.009 -3.472 0.002 121 HA THR 17 HA THR 17 -16.067 -1.674 0.738 122 HB THR 17 HB THR 17 -16.931 -3.578 -0.288 123 HG1 THR 17 HG1 THR 17 -18.072 -3.321 1.642 124 HG21 THR 17 HG21 THR 17 -14.888 -5.103 1.339 125 HG22 THR 17 HG22 THR 17 -14.991 -4.944 -0.413 126 HG23 THR 17 HG23 THR 17 -16.175 -5.916 0.457 127 H ARG 18 H ARG 18 -14.416 -4.142 2.746 128 HA ARG 18 HA ARG 18 -15.596 -2.901 5.196 129 HB2 ARG 18 HB2 ARG 18 -13.914 -5.416 4.982 130 HB3 ARG 18 HB3 ARG 18 -14.918 -4.907 6.342 131 HG2 ARG 18 HG2 ARG 18 -16.909 -5.011 4.756 132 HG3 ARG 18 HG3 ARG 18 -15.839 -5.808 3.602 133 HD2 ARG 18 HD2 ARG 18 -16.965 -7.551 4.809 134 HD3 ARG 18 HD3 ARG 18 -15.314 -7.497 5.428 135 HE ARG 18 HE ARG 18 -17.046 -5.804 6.996 136 HH11 ARG 18 HH11 ARG 18 -16.152 -9.066 6.325 137 HH12 ARG 18 HH12 ARG 18 -16.572 -9.646 7.903 138 HH21 ARG 18 HH21 ARG 18 -17.600 -6.542 9.059 139 HH22 ARG 18 HH22 ARG 18 -17.392 -8.216 9.450 140 H ARG 19 H ARG 19 -12.929 -2.644 3.262 141 HA ARG 19 HA ARG 19 -10.809 -1.724 3.530 142 HB2 ARG 19 HB2 ARG 19 -12.031 -0.614 6.081 143 HB3 ARG 19 HB3 ARG 19 -10.525 -0.080 5.354 144 HG2 ARG 19 HG2 ARG 19 -12.028 1.506 4.502 145 HG3 ARG 19 HG3 ARG 19 -11.985 0.323 3.199 146 HD2 ARG 19 HD2 ARG 19 -14.091 -0.606 3.849 147 HD3 ARG 19 HD3 ARG 19 -14.066 0.222 5.403 148 HE ARG 19 HE ARG 19 -13.975 2.170 3.318 149 HH11 ARG 19 HH11 ARG 19 -16.019 -0.193 4.778 150 HH12 ARG 19 HH12 ARG 19 -17.486 0.647 4.397 151 HH21 ARG 19 HH21 ARG 19 -15.880 3.278 2.811 152 HH22 ARG 19 HH22 ARG 19 -17.407 2.611 3.284 153 H LEU 20 H LEU 20 -10.128 -4.014 3.874 154 HA LEU 20 HA LEU 20 -8.502 -4.224 6.256 155 HB2 LEU 20 HB2 LEU 20 -10.664 -4.982 7.173 156 HB3 LEU 20 HB3 LEU 20 -10.806 -6.165 5.877 157 HG LEU 20 HG LEU 20 -8.765 -7.304 6.689 158 HD11 LEU 20 HD11 LEU 20 -7.426 -5.673 7.728 159 HD12 LEU 20 HD12 LEU 20 -8.059 -6.562 9.108 160 HD13 LEU 20 HD13 LEU 20 -8.772 -5.012 8.658 161 HD21 LEU 20 HD21 LEU 20 -10.740 -6.848 8.944 162 HD22 LEU 20 HD22 LEU 20 -9.767 -8.291 8.656 163 HD23 LEU 20 HD23 LEU 20 -11.071 -7.870 7.546 164 H VAL 21 H VAL 21 -6.889 -5.881 5.993 165 HA VAL 21 HA VAL 21 -6.953 -7.389 3.401 166 HB VAL 21 HB VAL 21 -4.501 -5.991 4.499 167 HG11 VAL 21 HG11 VAL 21 -5.142 -7.285 1.830 168 HG12 VAL 21 HG12 VAL 21 -4.068 -7.938 3.067 169 HG13 VAL 21 HG13 VAL 21 -3.636 -6.454 2.218 170 HG21 VAL 21 HG21 VAL 21 -5.975 -4.225 3.862 171 HG22 VAL 21 HG22 VAL 21 -6.528 -5.097 2.432 172 HG23 VAL 21 HG23 VAL 21 -4.888 -4.446 2.494 173 H TRP 22 H TRP 22 -5.925 -9.403 3.465 174 HA TRP 22 HA TRP 22 -5.059 -10.359 6.183 175 HB2 TRP 22 HB2 TRP 22 -6.359 -11.822 3.872 176 HB3 TRP 22 HB3 TRP 22 -5.655 -12.642 5.262 177 HD1 TRP 22 HD1 TRP 22 -6.951 -12.589 7.519 178 HE1 TRP 22 HE1 TRP 22 -9.305 -11.784 8.193 179 HE3 TRP 22 HE3 TRP 22 -8.218 -9.958 3.327 180 HZ2 TRP 22 HZ2 TRP 22 -11.443 -10.230 7.101 181 HZ3 TRP 22 HZ3 TRP 22 -10.415 -8.828 3.176 182 HH2 TRP 22 HH2 TRP 22 -12.029 -8.959 5.052 183 H LEU 23 H LEU 23 -3.121 -11.436 6.331 184 HA LEU 23 HA LEU 23 -1.421 -11.635 3.858 185 HB2 LEU 23 HB2 LEU 23 -0.572 -9.842 5.225 186 HB3 LEU 23 HB3 LEU 23 -0.745 -10.796 6.695 187 HG LEU 23 HG LEU 23 1.057 -12.269 6.020 188 HD11 LEU 23 HD11 LEU 23 2.299 -11.662 3.841 189 HD12 LEU 23 HD12 LEU 23 0.843 -10.763 3.406 190 HD13 LEU 23 HD13 LEU 23 0.761 -12.505 3.671 191 HD21 LEU 23 HD21 LEU 23 2.920 -10.622 5.876 192 HD22 LEU 23 HD22 LEU 23 1.722 -10.155 7.083 193 HD23 LEU 23 HD23 LEU 23 1.749 -9.355 5.511 194 H GLY 24 H GLY 24 -1.501 -13.851 3.451 195 HA2 GLY 24 HA2 GLY 24 -1.001 -16.127 3.852 196 HA3 GLY 24 HA3 GLY 24 -0.272 -15.642 5.386 197 H GLU 25 H GLU 25 -3.544 -15.006 4.254 198 HA GLU 25 HA GLU 25 -5.634 -15.668 5.063 199 HB2 GLU 25 HB2 GLU 25 -4.383 -17.991 5.055 200 HB3 GLU 25 HB3 GLU 25 -4.356 -17.784 6.803 201 HG2 GLU 25 HG2 GLU 25 -6.840 -17.420 6.740 202 HG3 GLU 25 HG3 GLU 25 -6.808 -17.823 5.023 203 H THR 26 H THR 26 -3.047 -14.648 6.998 204 HA THR 26 HA THR 26 -4.675 -14.392 9.468 205 HB THR 26 HB THR 26 -2.662 -13.604 10.520 206 HG1 THR 26 HG1 THR 26 -0.824 -13.656 8.723 207 HG21 THR 26 HG21 THR 26 -2.857 -16.074 9.902 208 HG22 THR 26 HG22 THR 26 -1.225 -15.490 10.227 209 HG23 THR 26 HG23 THR 26 -1.761 -15.726 8.565 210 H ALA 27 H ALA 27 -5.453 -12.427 10.233 211 HA ALA 27 HA ALA 27 -6.058 -10.389 8.342 212 HB1 ALA 27 HB1 ALA 27 -7.365 -10.760 10.405 213 HB2 ALA 27 HB2 ALA 27 -6.831 -9.084 10.281 214 HB3 ALA 27 HB3 ALA 27 -5.999 -10.197 11.367 215 H LEU 28 H LEU 28 -4.565 -9.084 7.403 216 HA LEU 28 HA LEU 28 -2.021 -8.463 8.672 217 HB2 LEU 28 HB2 LEU 28 -2.342 -8.650 6.187 218 HB3 LEU 28 HB3 LEU 28 -3.335 -7.204 6.237 219 HG LEU 28 HG LEU 28 -1.429 -5.884 7.050 220 HD11 LEU 28 HD11 LEU 28 0.890 -7.164 6.832 221 HD12 LEU 28 HD12 LEU 28 -0.094 -8.584 7.166 222 HD13 LEU 28 HD13 LEU 28 -0.036 -7.261 8.325 223 HD21 LEU 28 HD21 LEU 28 -0.507 -7.531 4.677 224 HD22 LEU 28 HD22 LEU 28 -0.217 -5.821 4.985 225 HD23 LEU 28 HD23 LEU 28 -1.833 -6.373 4.558 226 H ASP 29 H ASP 29 -1.650 -6.755 10.050 227 HA ASP 29 HA ASP 29 -3.897 -4.868 10.564 228 HB2 ASP 29 HB2 ASP 29 -1.301 -5.166 12.088 229 HB3 ASP 29 HB3 ASP 29 -2.775 -4.360 12.624 230 H LEU 30 H LEU 30 -3.772 -3.266 9.020 231 HA LEU 30 HA LEU 30 -1.220 -1.690 8.875 232 HB2 LEU 30 HB2 LEU 30 -1.647 -1.201 6.575 233 HB3 LEU 30 HB3 LEU 30 -1.827 -2.939 6.757 234 HG LEU 30 HG LEU 30 -4.085 -0.908 6.613 235 HD11 LEU 30 HD11 LEU 30 -3.020 -2.997 4.701 236 HD12 LEU 30 HD12 LEU 30 -3.109 -1.253 4.451 237 HD13 LEU 30 HD13 LEU 30 -4.586 -2.214 4.504 238 HD21 LEU 30 HD21 LEU 30 -4.029 -3.869 7.230 239 HD22 LEU 30 HD22 LEU 30 -5.413 -3.184 6.375 240 HD23 LEU 30 HD23 LEU 30 -4.997 -2.597 7.978 241 H THR 31 H THR 31 -1.389 0.442 9.351 242 HA THR 31 HA THR 31 -3.590 1.512 10.711 243 HB THR 31 HB THR 31 -2.551 3.782 10.012 244 HG1 THR 31 HG1 THR 31 -0.996 1.910 8.612 245 HG21 THR 31 HG21 THR 31 -0.436 3.292 11.300 246 HG22 THR 31 HG22 THR 31 -0.896 1.590 11.284 247 HG23 THR 31 HG23 THR 31 -1.915 2.770 12.106 248 HA PRO 32 HA PRO 32 -6.647 2.345 7.594 249 HB2 PRO 32 HB2 PRO 32 -7.603 4.848 8.392 250 HB3 PRO 32 HB3 PRO 32 -8.092 3.308 9.126 251 HG2 PRO 32 HG2 PRO 32 -6.036 5.274 10.060 252 HG3 PRO 32 HG3 PRO 32 -7.242 4.374 11.002 253 HD2 PRO 32 HD2 PRO 32 -4.672 3.584 10.954 254 HD3 PRO 32 HD3 PRO 32 -5.985 2.386 10.959 255 H LYS 33 H LYS 33 -4.593 5.176 8.355 256 HA LYS 33 HA LYS 33 -4.879 6.528 5.881 257 HB2 LYS 33 HB2 LYS 33 -2.496 6.342 7.751 258 HB3 LYS 33 HB3 LYS 33 -2.592 7.463 6.391 259 HG2 LYS 33 HG2 LYS 33 -4.607 8.486 7.350 260 HG3 LYS 33 HG3 LYS 33 -4.564 7.342 8.692 261 HD2 LYS 33 HD2 LYS 33 -2.292 8.211 9.292 262 HD3 LYS 33 HD3 LYS 33 -2.472 9.434 8.034 263 HE2 LYS 33 HE2 LYS 33 -4.377 10.406 9.147 264 HE3 LYS 33 HE3 LYS 33 -4.443 9.079 10.306 265 HZ1 LYS 33 HZ1 LYS 33 -3.230 10.465 11.559 266 HZ2 LYS 33 HZ2 LYS 33 -2.703 11.390 10.240 267 HZ3 LYS 33 HZ3 LYS 33 -1.927 9.925 10.611 268 H GLU 34 H GLU 34 -2.524 4.034 6.878 269 HA GLU 34 HA GLU 34 -1.076 3.857 4.458 270 HB2 GLU 34 HB2 GLU 34 -0.387 2.657 6.486 271 HB3 GLU 34 HB3 GLU 34 -1.819 1.633 6.383 272 HG2 GLU 34 HG2 GLU 34 -1.064 0.630 4.336 273 HG3 GLU 34 HG3 GLU 34 0.230 1.816 4.161 274 H TYR 35 H TYR 35 -4.192 2.453 5.380 275 HA TYR 35 HA TYR 35 -4.521 0.697 3.181 276 HB2 TYR 35 HB2 TYR 35 -6.031 1.067 5.288 277 HB3 TYR 35 HB3 TYR 35 -6.830 2.298 4.315 278 HD1 TYR 35 HD1 TYR 35 -7.622 1.589 1.928 279 HD2 TYR 35 HD2 TYR 35 -6.659 -1.204 5.051 280 HE1 TYR 35 HE1 TYR 35 -8.919 -0.177 0.756 281 HE2 TYR 35 HE2 TYR 35 -7.953 -2.958 3.875 282 HH TYR 35 HH TYR 35 -9.083 -3.491 2.058 283 H ALA 36 H ALA 36 -4.901 4.191 3.436 284 HA ALA 36 HA ALA 36 -6.248 4.564 0.917 285 HB1 ALA 36 HB1 ALA 36 -6.138 6.323 2.666 286 HB2 ALA 36 HB2 ALA 36 -5.537 6.909 1.115 287 HB3 ALA 36 HB3 ALA 36 -4.402 6.469 2.391 288 H LEU 37 H LEU 37 -2.792 4.801 1.840 289 HA LEU 37 HA LEU 37 -1.806 5.320 -0.783 290 HB2 LEU 37 HB2 LEU 37 -0.546 3.890 1.575 291 HB3 LEU 37 HB3 LEU 37 0.326 4.246 0.088 292 HG LEU 37 HG LEU 37 -0.210 6.659 0.402 293 HD11 LEU 37 HD11 LEU 37 -1.494 5.586 2.912 294 HD12 LEU 37 HD12 LEU 37 -2.134 6.748 1.758 295 HD13 LEU 37 HD13 LEU 37 -0.862 7.228 2.869 296 HD21 LEU 37 HD21 LEU 37 1.922 5.551 1.229 297 HD22 LEU 37 HD22 LEU 37 1.173 5.473 2.823 298 HD23 LEU 37 HD23 LEU 37 1.489 7.036 2.073 299 H LEU 38 H LEU 38 -2.572 2.326 0.923 300 HA LEU 38 HA LEU 38 -1.576 0.459 -0.952 301 HB2 LEU 38 HB2 LEU 38 -2.545 -0.025 1.350 302 HB3 LEU 38 HB3 LEU 38 -4.140 0.182 0.637 303 HG LEU 38 HG LEU 38 -3.357 -1.610 -1.105 304 HD11 LEU 38 HD11 LEU 38 -1.359 -2.020 1.145 305 HD12 LEU 38 HD12 LEU 38 -1.008 -1.757 -0.562 306 HD13 LEU 38 HD13 LEU 38 -1.755 -3.262 -0.041 307 HD21 LEU 38 HD21 LEU 38 -4.057 -3.439 0.444 308 HD22 LEU 38 HD22 LEU 38 -5.112 -2.029 0.547 309 HD23 LEU 38 HD23 LEU 38 -3.903 -2.318 1.797 310 H SER 39 H SER 39 -4.711 2.134 -0.817 311 HA SER 39 HA SER 39 -6.005 0.849 -2.955 312 HB2 SER 39 HB2 SER 39 -7.001 2.599 -1.428 313 HB3 SER 39 HB3 SER 39 -6.147 3.820 -2.369 314 HG SER 39 HG SER 39 -8.227 2.078 -3.141 315 H ARG 40 H ARG 40 -3.634 3.497 -3.019 316 HA ARG 40 HA ARG 40 -3.818 3.809 -5.915 317 HB2 ARG 40 HB2 ARG 40 -1.924 4.800 -3.780 318 HB3 ARG 40 HB3 ARG 40 -1.620 5.120 -5.484 319 HG2 ARG 40 HG2 ARG 40 -4.293 5.789 -4.222 320 HG3 ARG 40 HG3 ARG 40 -2.938 6.905 -4.110 321 HD2 ARG 40 HD2 ARG 40 -2.777 6.720 -6.678 322 HD3 ARG 40 HD3 ARG 40 -4.365 5.961 -6.605 323 HE ARG 40 HE ARG 40 -3.808 8.784 -6.213 324 HH11 ARG 40 HH11 ARG 40 -5.832 6.114 -5.399 325 HH12 ARG 40 HH12 ARG 40 -7.209 7.098 -5.033 326 HH21 ARG 40 HH21 ARG 40 -5.594 10.085 -5.739 327 HH22 ARG 40 HH22 ARG 40 -7.075 9.346 -5.225 328 H LEU 41 H LEU 41 -1.502 2.259 -3.691 329 HA LEU 41 HA LEU 41 0.333 1.381 -5.664 330 HB2 LEU 41 HB2 LEU 41 -0.440 0.173 -3.004 331 HB3 LEU 41 HB3 LEU 41 0.905 -0.413 -3.970 332 HG LEU 41 HG LEU 41 0.700 2.505 -3.185 333 HD11 LEU 41 HD11 LEU 41 1.884 0.216 -1.592 334 HD12 LEU 41 HD12 LEU 41 0.626 1.341 -1.080 335 HD13 LEU 41 HD13 LEU 41 2.280 1.910 -1.301 336 HD21 LEU 41 HD21 LEU 41 2.945 0.665 -4.082 337 HD22 LEU 41 HD22 LEU 41 3.252 2.238 -3.353 338 HD23 LEU 41 HD23 LEU 41 2.370 2.133 -4.868 339 H MET 42 H MET 42 -2.406 -0.443 -4.229 340 HA MET 42 HA MET 42 -2.055 -2.723 -5.907 341 HB2 MET 42 HB2 MET 42 -4.243 -3.416 -5.157 342 HB3 MET 42 HB3 MET 42 -3.410 -2.664 -3.799 343 HG2 MET 42 HG2 MET 42 -5.512 -1.636 -3.678 344 HG3 MET 42 HG3 MET 42 -4.620 -0.466 -4.649 345 HE1 MET 42 HE1 MET 42 -7.315 0.196 -5.032 346 HE2 MET 42 HE2 MET 42 -7.824 -1.312 -4.259 347 HE3 MET 42 HE3 MET 42 -8.443 -0.882 -5.852 348 H MET 43 H MET 43 -3.972 0.228 -6.352 349 HA MET 43 HA MET 43 -5.452 -0.568 -8.621 350 HB2 MET 43 HB2 MET 43 -5.744 1.604 -7.408 351 HB3 MET 43 HB3 MET 43 -4.239 2.173 -8.128 352 HG2 MET 43 HG2 MET 43 -6.095 3.009 -9.452 353 HG3 MET 43 HG3 MET 43 -5.248 1.788 -10.397 354 HE1 MET 43 HE1 MET 43 -9.397 1.619 -8.505 355 HE2 MET 43 HE2 MET 43 -8.623 3.019 -9.258 356 HE3 MET 43 HE3 MET 43 -7.973 2.345 -7.766 357 H LYS 44 H LYS 44 -2.098 0.314 -8.262 358 HA LYS 44 HA LYS 44 -1.644 -0.135 -11.207 359 HB2 LYS 44 HB2 LYS 44 -0.307 1.695 -9.205 360 HB3 LYS 44 HB3 LYS 44 0.475 1.258 -10.725 361 HG2 LYS 44 HG2 LYS 44 -1.503 2.116 -11.962 362 HG3 LYS 44 HG3 LYS 44 -2.226 2.607 -10.429 363 HD2 LYS 44 HD2 LYS 44 -0.234 4.047 -9.994 364 HD3 LYS 44 HD3 LYS 44 0.384 3.623 -11.592 365 HE2 LYS 44 HE2 LYS 44 -2.300 4.939 -11.079 366 HE3 LYS 44 HE3 LYS 44 -0.844 5.794 -11.589 367 HZ1 LYS 44 HZ1 LYS 44 -1.514 3.485 -13.191 368 HZ2 LYS 44 HZ2 LYS 44 -1.031 5.038 -13.672 369 HZ3 LYS 44 HZ3 LYS 44 -2.653 4.743 -13.264 370 H ALA 45 H ALA 45 -1.777 -2.298 -9.357 371 HA ALA 45 HA ALA 45 0.767 -3.028 -8.290 372 HB1 ALA 45 HB1 ALA 45 -1.361 -4.927 -9.305 373 HB2 ALA 45 HB2 ALA 45 -1.456 -4.107 -7.747 374 HB3 ALA 45 HB3 ALA 45 -0.147 -5.245 -8.066 375 H GLY 46 H GLY 46 2.559 -3.867 -9.267 376 HA2 GLY 46 HA2 GLY 46 3.792 -5.107 -10.908 377 HA3 GLY 46 HA3 GLY 46 2.365 -5.133 -11.944 378 H SER 47 H SER 47 2.446 -2.054 -10.968 379 HA SER 47 HA SER 47 4.245 -1.136 -13.197 380 HB2 SER 47 HB2 SER 47 2.029 -0.682 -13.905 381 HB3 SER 47 HB3 SER 47 1.531 -0.184 -12.291 382 HG SER 47 HG SER 47 3.616 1.293 -13.080 383 HA PRO 48 HA PRO 48 6.321 0.720 -9.547 384 HB2 PRO 48 HB2 PRO 48 7.422 2.458 -11.751 385 HB3 PRO 48 HB3 PRO 48 8.275 1.704 -10.385 386 HG2 PRO 48 HG2 PRO 48 8.447 0.658 -12.816 387 HG3 PRO 48 HG3 PRO 48 8.301 -0.390 -11.390 388 HD2 PRO 48 HD2 PRO 48 6.225 0.270 -13.457 389 HD3 PRO 48 HD3 PRO 48 6.456 -1.226 -12.520 390 H VAL 49 H VAL 49 5.126 2.100 -8.303 391 HA VAL 49 HA VAL 49 3.616 4.303 -9.588 392 HB VAL 49 HB VAL 49 3.532 3.190 -6.774 393 HG11 VAL 49 HG11 VAL 49 2.837 5.485 -6.684 394 HG12 VAL 49 HG12 VAL 49 1.358 4.526 -6.719 395 HG13 VAL 49 HG13 VAL 49 1.918 5.334 -8.183 396 HG21 VAL 49 HG21 VAL 49 2.658 1.583 -8.341 397 HG22 VAL 49 HG22 VAL 49 1.771 2.833 -9.213 398 HG23 VAL 49 HG23 VAL 49 1.276 2.374 -7.585 399 H HIS 50 H HIS 50 4.089 6.438 -9.225 400 HA HIS 50 HA HIS 50 6.652 7.177 -8.186 401 HB2 HIS 50 HB2 HIS 50 5.267 8.513 -9.830 402 HB3 HIS 50 HB3 HIS 50 4.227 8.971 -8.483 403 HD1 HIS 50 HD1 HIS 50 5.366 11.383 -9.507 404 HD2 HIS 50 HD2 HIS 50 7.693 8.956 -7.034 405 HE1 HIS 50 HE1 HIS 50 7.220 12.850 -8.597 406 HE2 HIS 50 HE2 HIS 50 8.636 11.384 -7.089 407 H ARG 51 H ARG 51 7.218 7.254 -6.081 408 HA ARG 51 HA ARG 51 5.547 6.735 -3.889 409 HB2 ARG 51 HB2 ARG 51 8.109 6.760 -3.973 410 HB3 ARG 51 HB3 ARG 51 8.002 8.505 -3.737 411 HG2 ARG 51 HG2 ARG 51 6.578 8.018 -1.681 412 HG3 ARG 51 HG3 ARG 51 7.034 6.325 -1.869 413 HD2 ARG 51 HD2 ARG 51 8.828 8.687 -1.290 414 HD3 ARG 51 HD3 ARG 51 8.618 7.217 -0.338 415 HE ARG 51 HE ARG 51 9.651 6.711 -3.025 416 HH11 ARG 51 HH11 ARG 51 10.352 7.546 0.246 417 HH12 ARG 51 HH12 ARG 51 11.982 6.961 0.185 418 HH21 ARG 51 HH21 ARG 51 11.773 5.943 -3.123 419 HH22 ARG 51 HH22 ARG 51 12.785 6.053 -1.723 420 H GLU 52 H GLU 52 5.894 9.582 -5.750 421 HA GLU 52 HA GLU 52 5.114 11.542 -3.813 422 HB2 GLU 52 HB2 GLU 52 6.113 12.185 -5.945 423 HB3 GLU 52 HB3 GLU 52 4.760 11.474 -6.826 424 HG2 GLU 52 HG2 GLU 52 3.230 13.103 -5.977 425 HG3 GLU 52 HG3 GLU 52 4.402 13.688 -4.795 426 H ILE 53 H ILE 53 3.190 9.694 -6.219 427 HA ILE 53 HA ILE 53 0.665 10.789 -5.550 428 HB ILE 53 HB ILE 53 1.331 7.983 -6.489 429 HG12 ILE 53 HG12 ILE 53 0.454 10.393 -8.109 430 HG13 ILE 53 HG13 ILE 53 2.147 9.948 -7.895 431 HG21 ILE 53 HG21 ILE 53 -1.030 8.142 -7.425 432 HG22 ILE 53 HG22 ILE 53 -1.248 9.574 -6.419 433 HG23 ILE 53 HG23 ILE 53 -0.930 8.008 -5.670 434 HD11 ILE 53 HD11 ILE 53 0.051 8.052 -8.983 435 HD12 ILE 53 HD12 ILE 53 1.797 7.813 -8.959 436 HD13 ILE 53 HD13 ILE 53 1.091 9.044 -10.005 437 H LEU 54 H LEU 54 2.558 8.271 -3.958 438 HA LEU 54 HA LEU 54 0.421 7.278 -2.292 439 HB2 LEU 54 HB2 LEU 54 3.358 7.332 -1.544 440 HB3 LEU 54 HB3 LEU 54 2.129 6.173 -1.039 441 HG LEU 54 HG LEU 54 3.193 6.530 -3.855 442 HD11 LEU 54 HD11 LEU 54 3.429 4.161 -1.981 443 HD12 LEU 54 HD12 LEU 54 4.682 5.390 -2.145 444 HD13 LEU 54 HD13 LEU 54 4.246 4.388 -3.528 445 HD21 LEU 54 HD21 LEU 54 1.823 4.353 -4.178 446 HD22 LEU 54 HD22 LEU 54 0.924 5.866 -4.101 447 HD23 LEU 54 HD23 LEU 54 0.990 4.808 -2.692 448 H TYR 55 H TYR 55 2.665 9.977 -2.040 449 HA TYR 55 HA TYR 55 1.974 10.586 0.730 450 HB2 TYR 55 HB2 TYR 55 4.112 11.316 -0.460 451 HB3 TYR 55 HB3 TYR 55 3.131 12.507 -1.313 452 HD1 TYR 55 HD1 TYR 55 3.708 11.250 2.183 453 HD2 TYR 55 HD2 TYR 55 2.936 14.650 -0.334 454 HE1 TYR 55 HE1 TYR 55 3.851 12.744 4.154 455 HE2 TYR 55 HE2 TYR 55 3.085 16.140 1.641 456 HH TYR 55 HH TYR 55 2.867 15.113 4.739 457 H ASN 56 H ASN 56 0.822 11.507 -2.452 458 HA ASN 56 HA ASN 56 -0.854 13.678 -1.658 459 HB2 ASN 56 HB2 ASN 56 -1.039 11.753 -3.990 460 HB3 ASN 56 HB3 ASN 56 -2.066 13.176 -3.810 461 HD21 ASN 56 HD21 ASN 56 1.258 12.107 -4.443 462 HD22 ASN 56 HD22 ASN 56 1.837 13.625 -4.935 463 H ASP 57 H ASP 57 -1.187 10.237 -1.347 464 HA ASP 57 HA ASP 57 -4.006 9.976 -1.267 465 HB2 ASP 57 HB2 ASP 57 -1.827 8.534 0.253 466 HB3 ASP 57 HB3 ASP 57 -3.527 8.076 0.379 467 H ILE 58 H ILE 58 -1.805 10.537 1.489 468 HA ILE 58 HA ILE 58 -4.033 11.183 3.258 469 HB ILE 58 HB ILE 58 -1.130 11.848 3.819 470 HG12 ILE 58 HG12 ILE 58 -2.476 9.127 3.946 471 HG13 ILE 58 HG13 ILE 58 -1.114 9.579 2.921 472 HG21 ILE 58 HG21 ILE 58 -3.051 12.463 5.397 473 HG22 ILE 58 HG22 ILE 58 -1.755 11.499 6.103 474 HG23 ILE 58 HG23 ILE 58 -3.275 10.731 5.646 475 HD11 ILE 58 HD11 ILE 58 -0.162 8.433 4.788 476 HD12 ILE 58 HD12 ILE 58 -1.158 9.328 5.935 477 HD13 ILE 58 HD13 ILE 58 0.145 10.146 5.073 478 H TYR 59 H TYR 59 -2.268 12.910 0.914 479 HA TYR 59 HA TYR 59 -3.504 15.465 1.824 480 HB2 TYR 59 HB2 TYR 59 -0.563 15.161 1.126 481 HB3 TYR 59 HB3 TYR 59 -1.387 16.684 1.454 482 HD1 TYR 59 HD1 TYR 59 -2.337 17.137 3.723 483 HD2 TYR 59 HD2 TYR 59 0.102 13.693 2.915 484 HE1 TYR 59 HE1 TYR 59 -1.970 16.825 6.157 485 HE2 TYR 59 HE2 TYR 59 0.468 13.382 5.348 486 HH TYR 59 HH TYR 59 -0.577 13.970 7.453 487 H SER 60 H SER 60 -4.801 14.570 -0.113 488 HA SER 60 HA SER 60 -3.512 14.828 -2.741 489 HB2 SER 60 HB2 SER 60 -5.200 13.167 -2.668 490 HB3 SER 60 HB3 SER 60 -6.314 14.222 -1.804 491 HG SER 60 HG SER 60 -5.397 15.131 -4.259 492 H TRP 61 H TRP 61 -6.052 16.579 -0.946 493 HA TRP 61 HA TRP 61 -6.032 18.755 -2.946 494 HB2 TRP 61 HB2 TRP 61 -7.746 19.766 -1.404 495 HB3 TRP 61 HB3 TRP 61 -8.181 18.166 -2.004 496 HD1 TRP 61 HD1 TRP 61 -7.210 20.032 1.148 497 HE1 TRP 61 HE1 TRP 61 -7.527 18.481 3.183 498 HE3 TRP 61 HE3 TRP 61 -8.148 15.620 -1.245 499 HZ2 TRP 61 HZ2 TRP 61 -8.103 15.731 3.723 500 HZ3 TRP 61 HZ3 TRP 61 -8.577 13.552 0.053 501 HH2 TRP 61 HH2 TRP 61 -8.557 13.602 2.532 502 H ASP 62 H ASP 62 -3.518 18.411 -1.656 503 HA ASP 62 HA ASP 62 -3.182 21.100 -0.530 504 HB2 ASP 62 HB2 ASP 62 -2.720 18.617 1.139 505 HB3 ASP 62 HB3 ASP 62 -2.029 20.189 1.537 506 H ASN 63 H ASN 63 -1.515 17.948 -0.720 507 HA ASN 63 HA ASN 63 0.643 17.415 -1.471 508 HB2 ASN 63 HB2 ASN 63 0.210 19.808 -3.285 509 HB3 ASN 63 HB3 ASN 63 1.338 18.479 -3.546 510 HD21 ASN 63 HD21 ASN 63 -2.151 18.601 -2.607 511 HD22 ASN 63 HD22 ASN 63 -2.657 17.518 -3.811 512 H GLU 64 H GLU 64 2.055 17.842 0.196 513 HA GLU 64 HA GLU 64 3.614 20.331 0.048 514 HB2 GLU 64 HB2 GLU 64 1.592 20.829 1.523 515 HB3 GLU 64 HB3 GLU 64 2.231 19.639 2.656 516 HG2 GLU 64 HG2 GLU 64 3.045 21.771 3.392 517 HG3 GLU 64 HG3 GLU 64 4.411 20.957 2.628 518 HA PRO 65 HA PRO 65 5.748 16.461 1.627 519 HB2 PRO 65 HB2 PRO 65 7.306 15.880 -0.511 520 HB3 PRO 65 HB3 PRO 65 5.598 15.392 -0.452 521 HG2 PRO 65 HG2 PRO 65 6.837 17.745 -1.837 522 HG3 PRO 65 HG3 PRO 65 5.622 16.603 -2.442 523 HD2 PRO 65 HD2 PRO 65 4.973 19.086 -1.428 524 HD3 PRO 65 HD3 PRO 65 3.868 17.693 -1.358 525 H ALA 66 H ALA 66 6.413 19.581 1.249 526 HA ALA 66 HA ALA 66 9.289 19.672 1.050 527 HB1 ALA 66 HB1 ALA 66 8.025 21.687 0.621 528 HB2 ALA 66 HB2 ALA 66 8.998 21.967 2.066 529 HB3 ALA 66 HB3 ALA 66 7.277 21.614 2.217 530 H THR 67 H THR 67 7.042 19.132 3.689 531 HA THR 67 HA THR 67 8.838 19.643 5.857 532 HB THR 67 HB THR 67 7.282 18.341 7.209 533 HG1 THR 67 HG1 THR 67 6.310 17.488 4.687 534 HG21 THR 67 HG21 THR 67 5.254 19.553 6.744 535 HG22 THR 67 HG22 THR 67 5.708 19.769 5.054 536 HG23 THR 67 HG23 THR 67 6.603 20.608 6.322 537 H ASN 68 H ASN 68 8.339 16.838 7.007 538 HA ASN 68 HA ASN 68 10.107 15.121 5.400 539 HB2 ASN 68 HB2 ASN 68 10.981 16.144 8.123 540 HB3 ASN 68 HB3 ASN 68 11.806 14.900 7.182 541 HD21 ASN 68 HD21 ASN 68 12.574 15.632 4.933 542 HD22 ASN 68 HD22 ASN 68 13.078 17.243 4.758 543 H THR 69 H THR 69 10.816 13.349 7.464 544 HA THR 69 HA THR 69 9.961 11.566 8.697 545 HB THR 69 HB THR 69 7.537 13.266 9.329 546 HG1 THR 69 HG1 THR 69 8.748 14.344 10.812 547 HG21 THR 69 HG21 THR 69 7.585 10.966 10.194 548 HG22 THR 69 HG22 THR 69 7.749 12.127 11.511 549 HG23 THR 69 HG23 THR 69 9.166 11.263 10.917 550 H LEU 70 H LEU 70 8.381 12.853 6.009 551 HA LEU 70 HA LEU 70 6.072 11.119 5.955 552 HB2 LEU 70 HB2 LEU 70 5.929 11.748 3.564 553 HB3 LEU 70 HB3 LEU 70 6.139 13.150 4.607 554 HG LEU 70 HG LEU 70 8.781 12.535 4.044 555 HD11 LEU 70 HD11 LEU 70 7.892 10.773 2.399 556 HD12 LEU 70 HD12 LEU 70 9.049 11.933 1.753 557 HD13 LEU 70 HD13 LEU 70 7.328 12.122 1.417 558 HD21 LEU 70 HD21 LEU 70 7.763 14.771 3.882 559 HD22 LEU 70 HD22 LEU 70 6.941 14.301 2.395 560 HD23 LEU 70 HD23 LEU 70 8.700 14.412 2.432 561 H GLU 71 H GLU 71 9.343 10.903 4.551 562 HA GLU 71 HA GLU 71 8.855 8.340 3.300 563 HB2 GLU 71 HB2 GLU 71 10.659 9.891 2.573 564 HB3 GLU 71 HB3 GLU 71 11.488 9.607 4.104 565 HG2 GLU 71 HG2 GLU 71 11.745 7.249 3.596 566 HG3 GLU 71 HG3 GLU 71 10.761 7.416 2.141 567 H VAL 72 H VAL 72 10.033 9.392 6.449 568 HA VAL 72 HA VAL 72 10.959 6.784 7.272 569 HB VAL 72 HB VAL 72 10.055 9.131 8.948 570 HG11 VAL 72 HG11 VAL 72 11.594 8.042 10.646 571 HG12 VAL 72 HG12 VAL 72 11.646 6.634 9.585 572 HG13 VAL 72 HG13 VAL 72 10.117 7.142 10.303 573 HG21 VAL 72 HG21 VAL 72 11.881 9.769 7.463 574 HG22 VAL 72 HG22 VAL 72 12.786 8.323 7.907 575 HG23 VAL 72 HG23 VAL 72 12.513 9.593 9.099 576 H HIS 73 H HIS 73 7.906 8.540 7.565 577 HA HIS 73 HA HIS 73 6.554 6.719 9.282 578 HB2 HIS 73 HB2 HIS 73 5.649 8.946 8.469 579 HB3 HIS 73 HB3 HIS 73 5.322 8.172 6.918 580 HD1 HIS 73 HD1 HIS 73 4.874 6.089 9.957 581 HD2 HIS 73 HD2 HIS 73 2.483 8.444 7.479 582 HE1 HIS 73 HE1 HIS 73 2.470 5.507 10.515 583 HE2 HIS 73 HE2 HIS 73 1.007 6.936 9.013 584 H ILE 74 H ILE 74 7.123 6.738 5.807 585 HA ILE 74 HA ILE 74 5.593 4.378 5.212 586 HB ILE 74 HB ILE 74 8.000 5.547 3.778 587 HG12 ILE 74 HG12 ILE 74 5.027 5.751 3.187 588 HG13 ILE 74 HG13 ILE 74 5.963 7.008 3.994 589 HG21 ILE 74 HG21 ILE 74 7.045 4.213 1.830 590 HG22 ILE 74 HG22 ILE 74 6.006 3.398 2.996 591 HG23 ILE 74 HG23 ILE 74 7.756 3.235 3.111 592 HD11 ILE 74 HD11 ILE 74 6.245 6.008 1.157 593 HD12 ILE 74 HD12 ILE 74 7.506 6.957 1.942 594 HD13 ILE 74 HD13 ILE 74 5.903 7.648 1.704 595 H HIS 75 H HIS 75 8.938 4.916 6.254 596 HA HIS 75 HA HIS 75 9.818 2.209 5.927 597 HB2 HIS 75 HB2 HIS 75 11.299 4.200 6.430 598 HB3 HIS 75 HB3 HIS 75 10.702 4.145 8.089 599 HD1 HIS 75 HD1 HIS 75 12.366 1.792 5.581 600 HD2 HIS 75 HD2 HIS 75 12.148 2.422 9.699 601 HE1 HIS 75 HE1 HIS 75 13.960 0.135 6.646 602 HE2 HIS 75 HE2 HIS 75 13.835 0.510 9.152 603 H ASN 76 H ASN 76 8.081 3.886 8.490 604 HA ASN 76 HA ASN 76 8.145 1.671 10.356 605 HB2 ASN 76 HB2 ASN 76 7.698 4.081 10.977 606 HB3 ASN 76 HB3 ASN 76 6.111 3.911 10.226 607 HD21 ASN 76 HD21 ASN 76 6.165 4.477 12.957 608 HD22 ASN 76 HD22 ASN 76 5.706 3.106 13.845 609 H LEU 77 H LEU 77 5.817 2.831 7.939 610 HA LEU 77 HA LEU 77 3.841 0.800 8.528 611 HB2 LEU 77 HB2 LEU 77 4.300 2.456 6.030 612 HB3 LEU 77 HB3 LEU 77 2.876 1.467 6.323 613 HG LEU 77 HG LEU 77 3.773 3.714 8.152 614 HD11 LEU 77 HD11 LEU 77 3.189 4.642 5.978 615 HD12 LEU 77 HD12 LEU 77 1.887 4.988 7.116 616 HD13 LEU 77 HD13 LEU 77 1.705 3.691 5.935 617 HD21 LEU 77 HD21 LEU 77 1.360 1.888 8.051 618 HD22 LEU 77 HD22 LEU 77 1.222 3.494 8.765 619 HD23 LEU 77 HD23 LEU 77 2.356 2.332 9.436 620 H ARG 78 H ARG 78 6.528 1.041 6.236 621 HA ARG 78 HA ARG 78 6.028 -1.179 4.612 622 HB2 ARG 78 HB2 ARG 78 7.980 0.446 4.465 623 HB3 ARG 78 HB3 ARG 78 8.757 -0.497 5.737 624 HG2 ARG 78 HG2 ARG 78 8.437 -2.542 4.268 625 HG3 ARG 78 HG3 ARG 78 7.946 -1.446 2.978 626 HD2 ARG 78 HD2 ARG 78 10.300 -1.862 2.690 627 HD3 ARG 78 HD3 ARG 78 10.137 -0.222 3.315 628 HE ARG 78 HE ARG 78 10.438 -1.815 5.582 629 HH11 ARG 78 HH11 ARG 78 12.141 -1.212 2.644 630 HH12 ARG 78 HH12 ARG 78 13.702 -1.510 3.333 631 HH21 ARG 78 HH21 ARG 78 12.466 -2.207 6.497 632 HH22 ARG 78 HH22 ARG 78 13.886 -2.073 5.515 633 H GLU 79 H GLU 79 7.680 -1.147 7.781 634 HA GLU 79 HA GLU 79 8.151 -3.956 7.900 635 HB2 GLU 79 HB2 GLU 79 7.690 -2.018 10.185 636 HB3 GLU 79 HB3 GLU 79 8.440 -3.609 10.319 637 HG2 GLU 79 HG2 GLU 79 10.235 -2.898 8.783 638 HG3 GLU 79 HG3 GLU 79 9.488 -1.306 8.646 639 H LYS 80 H LYS 80 5.233 -2.099 8.477 640 HA LYS 80 HA LYS 80 3.907 -4.165 10.020 641 HB2 LYS 80 HB2 LYS 80 2.785 -1.798 8.499 642 HB3 LYS 80 HB3 LYS 80 1.863 -2.814 9.607 643 HG2 LYS 80 HG2 LYS 80 3.479 -2.239 11.420 644 HG3 LYS 80 HG3 LYS 80 4.288 -1.136 10.307 645 HD2 LYS 80 HD2 LYS 80 2.071 0.037 9.997 646 HD3 LYS 80 HD3 LYS 80 1.435 -0.959 11.306 647 HE2 LYS 80 HE2 LYS 80 3.717 1.027 11.462 648 HE3 LYS 80 HE3 LYS 80 2.156 1.129 12.277 649 HZ1 LYS 80 HZ1 LYS 80 4.208 -0.971 12.729 650 HZ2 LYS 80 HZ2 LYS 80 2.709 -0.867 13.515 651 HZ3 LYS 80 HZ3 LYS 80 3.882 0.335 13.767 652 H ILE 81 H ILE 81 3.798 -3.179 6.595 653 HA ILE 81 HA ILE 81 1.862 -5.228 5.903 654 HB ILE 81 HB ILE 81 2.574 -4.589 3.514 655 HG12 ILE 81 HG12 ILE 81 4.031 -2.390 5.010 656 HG13 ILE 81 HG13 ILE 81 4.842 -3.760 4.259 657 HG21 ILE 81 HG21 ILE 81 1.578 -2.476 5.451 658 HG22 ILE 81 HG22 ILE 81 0.591 -3.625 4.550 659 HG23 ILE 81 HG23 ILE 81 1.457 -2.350 3.696 660 HD11 ILE 81 HD11 ILE 81 4.929 -1.980 2.663 661 HD12 ILE 81 HD12 ILE 81 3.227 -1.591 2.903 662 HD13 ILE 81 HD13 ILE 81 3.683 -3.085 2.086 663 H GLY 82 H GLY 82 5.323 -5.102 6.187 664 HA2 GLY 82 HA2 GLY 82 6.798 -6.961 6.138 665 HA3 GLY 82 HA3 GLY 82 5.476 -7.973 5.546 666 H LYS 83 H LYS 83 7.944 -5.673 4.624 667 HA LYS 83 HA LYS 83 7.488 -5.191 1.947 668 HB2 LYS 83 HB2 LYS 83 9.966 -5.198 1.645 669 HB3 LYS 83 HB3 LYS 83 9.457 -4.318 3.085 670 HG2 LYS 83 HG2 LYS 83 9.888 -6.377 4.440 671 HG3 LYS 83 HG3 LYS 83 10.521 -7.155 2.989 672 HD2 LYS 83 HD2 LYS 83 12.184 -5.289 2.785 673 HD3 LYS 83 HD3 LYS 83 11.614 -4.669 4.335 674 HE2 LYS 83 HE2 LYS 83 12.148 -6.927 5.336 675 HE3 LYS 83 HE3 LYS 83 12.914 -7.354 3.805 676 HZ1 LYS 83 HZ1 LYS 83 13.811 -5.544 5.887 677 HZ2 LYS 83 HZ2 LYS 83 14.044 -4.993 4.299 678 HZ3 LYS 83 HZ3 LYS 83 14.714 -6.476 4.790 679 H SER 84 H SER 84 7.999 -8.269 3.377 680 HA SER 84 HA SER 84 9.195 -9.767 1.336 681 HB2 SER 84 HB2 SER 84 8.451 -10.608 3.610 682 HB3 SER 84 HB3 SER 84 6.816 -10.702 2.963 683 HG SER 84 HG SER 84 7.918 -12.685 2.745 684 H ARG 85 H ARG 85 5.719 -8.957 1.703 685 HA ARG 85 HA ARG 85 5.105 -10.174 -0.909 686 HB2 ARG 85 HB2 ARG 85 3.322 -8.412 0.786 687 HB3 ARG 85 HB3 ARG 85 2.832 -9.574 -0.449 688 HG2 ARG 85 HG2 ARG 85 4.211 -10.241 2.169 689 HG3 ARG 85 HG3 ARG 85 2.515 -10.514 1.793 690 HD2 ARG 85 HD2 ARG 85 3.450 -12.623 1.360 691 HD3 ARG 85 HD3 ARG 85 3.459 -11.891 -0.245 692 HE ARG 85 HE ARG 85 5.923 -11.259 1.037 693 HH11 ARG 85 HH11 ARG 85 4.116 -13.923 -0.200 694 HH12 ARG 85 HH12 ARG 85 5.518 -14.855 -0.608 695 HH21 ARG 85 HH21 ARG 85 7.762 -12.459 0.510 696 HH22 ARG 85 HH22 ARG 85 7.581 -14.026 -0.206 697 H ILE 86 H ILE 86 6.765 -7.468 -0.324 698 HA ILE 86 HA ILE 86 5.582 -6.040 -2.683 699 HB ILE 86 HB ILE 86 6.593 -4.688 -0.163 700 HG12 ILE 86 HG12 ILE 86 3.985 -3.910 -0.331 701 HG13 ILE 86 HG13 ILE 86 3.834 -5.509 -1.050 702 HG21 ILE 86 HG21 ILE 86 5.524 -3.680 -2.801 703 HG22 ILE 86 HG22 ILE 86 7.039 -3.268 -2.002 704 HG23 ILE 86 HG23 ILE 86 5.512 -2.678 -1.351 705 HD11 ILE 86 HD11 ILE 86 4.839 -6.524 0.952 706 HD12 ILE 86 HD12 ILE 86 3.460 -5.529 1.411 707 HD13 ILE 86 HD13 ILE 86 5.100 -4.930 1.651 708 H ARG 87 H ARG 87 7.130 -4.656 -3.775 709 HA ARG 87 HA ARG 87 10.009 -5.402 -3.292 710 HB2 ARG 87 HB2 ARG 87 9.052 -6.474 -5.339 711 HB3 ARG 87 HB3 ARG 87 8.652 -4.871 -5.957 712 HG2 ARG 87 HG2 ARG 87 10.995 -4.232 -5.969 713 HG3 ARG 87 HG3 ARG 87 11.452 -5.749 -5.194 714 HD2 ARG 87 HD2 ARG 87 10.207 -5.447 -7.944 715 HD3 ARG 87 HD3 ARG 87 11.875 -5.902 -7.597 716 HE ARG 87 HE ARG 87 10.243 -7.762 -6.249 717 HH11 ARG 87 HH11 ARG 87 10.893 -6.659 -9.451 718 HH12 ARG 87 HH12 ARG 87 10.540 -8.184 -10.191 719 HH21 ARG 87 HH21 ARG 87 9.779 -9.760 -7.196 720 HH22 ARG 87 HH22 ARG 87 9.910 -9.941 -8.914 721 H THR 88 H THR 88 11.286 -3.627 -2.939 722 HA THR 88 HA THR 88 10.094 -0.936 -3.350 723 HB THR 88 HB THR 88 11.742 -0.148 -1.841 724 HG1 THR 88 HG1 THR 88 13.101 -2.425 -2.710 725 HG21 THR 88 HG21 THR 88 9.997 -1.801 -0.907 726 HG22 THR 88 HG22 THR 88 11.417 -1.492 0.091 727 HG23 THR 88 HG23 THR 88 11.315 -2.972 -0.859 728 H VAL 89 H VAL 89 10.948 0.558 -4.755 729 HA VAL 89 HA VAL 89 13.076 -0.397 -6.643 730 HB VAL 89 HB VAL 89 11.070 1.848 -7.027 731 HG11 VAL 89 HG11 VAL 89 11.678 1.435 -9.445 732 HG12 VAL 89 HG12 VAL 89 12.960 0.365 -8.878 733 HG13 VAL 89 HG13 VAL 89 12.995 2.080 -8.466 734 HG21 VAL 89 HG21 VAL 89 9.835 0.237 -8.445 735 HG22 VAL 89 HG22 VAL 89 9.909 -0.315 -6.772 736 HG23 VAL 89 HG23 VAL 89 10.969 -1.032 -7.984 737 H ARG 90 H ARG 90 14.990 0.355 -5.779 738 HA ARG 90 HA ARG 90 15.402 2.593 -4.148 739 HB2 ARG 90 HB2 ARG 90 17.302 1.617 -6.301 740 HB3 ARG 90 HB3 ARG 90 17.734 2.522 -4.850 741 HG2 ARG 90 HG2 ARG 90 16.876 0.661 -3.452 742 HG3 ARG 90 HG3 ARG 90 16.509 -0.252 -4.916 743 HD2 ARG 90 HD2 ARG 90 18.856 -0.292 -5.543 744 HD3 ARG 90 HD3 ARG 90 19.272 0.763 -4.193 745 HE ARG 90 HE ARG 90 17.988 -1.503 -3.097 746 HH11 ARG 90 HH11 ARG 90 20.796 -0.664 -4.916 747 HH12 ARG 90 HH12 ARG 90 21.755 -1.961 -4.284 748 HH21 ARG 90 HH21 ARG 90 19.225 -3.199 -2.261 749 HH22 ARG 90 HH22 ARG 90 20.866 -3.396 -2.781 750 H GLY 91 H GLY 91 14.353 2.582 -7.366 751 HA2 GLY 91 HA2 GLY 91 15.556 4.975 -8.361 752 HA3 GLY 91 HA3 GLY 91 14.036 4.291 -8.933 753 H PHE 92 H PHE 92 12.061 4.908 -7.810 754 HA PHE 92 HA PHE 92 12.056 6.842 -5.692 755 HB2 PHE 92 HB2 PHE 92 11.592 8.849 -6.838 756 HB3 PHE 92 HB3 PHE 92 12.877 8.132 -7.797 757 HD1 PHE 92 HD1 PHE 92 11.831 6.275 -9.587 758 HD2 PHE 92 HD2 PHE 92 9.875 9.813 -8.124 759 HE1 PHE 92 HE1 PHE 92 10.365 6.294 -11.582 760 HE2 PHE 92 HE2 PHE 92 8.412 9.828 -10.122 761 HZ PHE 92 HZ PHE 92 8.655 8.068 -11.851 762 H GLY 93 H GLY 93 10.709 4.346 -6.787 763 HA2 GLY 93 HA2 GLY 93 7.930 5.205 -6.163 764 HA3 GLY 93 HA3 GLY 93 8.204 4.363 -7.690 765 H TYR 94 H TYR 94 6.713 2.746 -6.690 766 HA TYR 94 HA TYR 94 8.284 0.641 -5.324 767 HB2 TYR 94 HB2 TYR 94 5.890 2.052 -4.127 768 HB3 TYR 94 HB3 TYR 94 6.234 0.375 -3.706 769 HD1 TYR 94 HD1 TYR 94 7.554 3.847 -3.614 770 HD2 TYR 94 HD2 TYR 94 8.100 -0.207 -2.308 771 HE1 TYR 94 HE1 TYR 94 9.265 4.595 -1.995 772 HE2 TYR 94 HE2 TYR 94 9.805 0.544 -0.683 773 HH TYR 94 HH TYR 94 10.149 3.412 0.433 774 H MET 95 H MET 95 6.838 -1.401 -5.175 775 HA MET 95 HA MET 95 4.561 -1.487 -7.022 776 HB2 MET 95 HB2 MET 95 6.416 -1.440 -8.630 777 HB3 MET 95 HB3 MET 95 7.172 -2.808 -7.819 778 HG2 MET 95 HG2 MET 95 5.373 -4.275 -8.423 779 HG3 MET 95 HG3 MET 95 4.373 -2.927 -8.969 780 HE1 MET 95 HE1 MET 95 8.367 -3.322 -9.809 781 HE2 MET 95 HE2 MET 95 8.106 -4.709 -10.875 782 HE3 MET 95 HE3 MET 95 7.566 -4.768 -9.200 783 H LEU 96 H LEU 96 3.289 -3.210 -6.571 784 HA LEU 96 HA LEU 96 4.172 -5.077 -4.440 785 HB2 LEU 96 HB2 LEU 96 1.529 -4.393 -5.739 786 HB3 LEU 96 HB3 LEU 96 1.685 -5.879 -4.801 787 HG LEU 96 HG LEU 96 2.396 -4.606 -2.837 788 HD11 LEU 96 HD11 LEU 96 2.242 -2.073 -2.970 789 HD12 LEU 96 HD12 LEU 96 2.186 -2.247 -4.725 790 HD13 LEU 96 HD13 LEU 96 3.605 -2.783 -3.830 791 HD21 LEU 96 HD21 LEU 96 0.289 -3.340 -2.445 792 HD22 LEU 96 HD22 LEU 96 -0.016 -4.917 -3.175 793 HD23 LEU 96 HD23 LEU 96 -0.082 -3.458 -4.165 794 H ALA 97 H ALA 97 4.539 -7.261 -4.797 795 HA ALA 97 HA ALA 97 5.063 -8.106 -7.523 796 HB1 ALA 97 HB1 ALA 97 5.710 -10.234 -6.521 797 HB2 ALA 97 HB2 ALA 97 4.930 -9.790 -5.003 798 HB3 ALA 97 HB3 ALA 97 6.363 -8.917 -5.546 799 H ASN 98 H ASN 98 3.729 -9.234 -8.883 800 HA ASN 98 HA ASN 98 0.946 -9.375 -8.502 801 HB2 ASN 98 HB2 ASN 98 2.695 -11.175 -10.205 802 HB3 ASN 98 HB3 ASN 98 0.945 -11.018 -10.363 803 HD21 ASN 98 HD21 ASN 98 0.317 -8.452 -10.434 804 HD22 ASN 98 HD22 ASN 98 1.232 -7.561 -11.554 805 H ASN 99 H ASN 99 2.756 -12.407 -8.803 806 HA ASN 99 HA ASN 99 1.957 -13.366 -6.169 807 HB2 ASN 99 HB2 ASN 99 0.522 -15.225 -7.098 808 HB3 ASN 99 HB3 ASN 99 -0.200 -13.621 -7.229 809 HD21 ASN 99 HD21 ASN 99 -1.387 -15.047 -9.040 810 HD22 ASN 99 HD22 ASN 99 -0.696 -14.952 -10.587 811 H ILE 100 H ILE 100 4.191 -13.895 -6.037 812 HA ILE 100 HA ILE 100 5.485 -15.546 -8.039 813 HB ILE 100 HB ILE 100 6.402 -15.256 -5.172 814 HG12 ILE 100 HG12 ILE 100 5.790 -13.016 -5.840 815 HG13 ILE 100 HG13 ILE 100 7.543 -13.150 -5.917 816 HG21 ILE 100 HG21 ILE 100 7.869 -15.439 -7.821 817 HG22 ILE 100 HG22 ILE 100 7.700 -16.740 -6.641 818 HG23 ILE 100 HG23 ILE 100 8.632 -15.298 -6.238 819 HD11 ILE 100 HD11 ILE 100 7.256 -13.692 -8.405 820 HD12 ILE 100 HD12 ILE 100 6.886 -12.036 -7.928 821 HD13 ILE 100 HD13 ILE 100 5.579 -13.182 -8.219 822 H ASP 101 H ASP 101 3.285 -16.148 -5.597 823 HA ASP 101 HA ASP 101 4.125 -18.750 -4.709 824 HB2 ASP 101 HB2 ASP 101 1.349 -17.535 -4.864 825 HB3 ASP 101 HB3 ASP 101 1.755 -19.015 -3.994 826 H THR 102 H THR 102 2.437 -17.616 -7.559 827 HA THR 102 HA THR 102 1.288 -20.108 -8.376 828 HB THR 102 HB THR 102 1.292 -19.085 -10.658 829 HG1 THR 102 HG1 THR 102 3.215 -17.602 -9.475 830 HG21 THR 102 HG21 THR 102 0.473 -17.172 -8.457 831 HG22 THR 102 HG22 THR 102 -0.474 -18.564 -8.981 832 HG23 THR 102 HG23 THR 102 -0.183 -17.227 -10.092 833 H GLU 103 H GLU 103 4.542 -19.063 -8.204 834 HA GLU 103 HA GLU 103 5.664 -20.541 -10.386 835 HB2 GLU 103 HB2 GLU 103 6.835 -18.773 -8.981 836 HB3 GLU 103 HB3 GLU 103 6.995 -19.988 -7.715 837 HG2 GLU 103 HG2 GLU 103 7.998 -20.461 -10.537 838 HG3 GLU 103 HG3 GLU 103 9.000 -19.716 -9.294 Start of MODEL 3 1 H1 ASN 1 H1 ASN 1 -18.179 -2.239 -7.640 2 H2 ASN 1 H2 ASN 1 -18.092 -2.120 -5.947 3 H3 ASN 1 H3 ASN 1 -16.961 -1.306 -6.918 4 HA ASN 1 HA ASN 1 -18.474 0.329 -6.195 5 HB2 ASN 1 HB2 ASN 1 -17.851 0.333 -8.631 6 HB3 ASN 1 HB3 ASN 1 -19.347 -0.541 -8.965 7 HD21 ASN 1 HD21 ASN 1 -18.054 2.571 -7.814 8 HD22 ASN 1 HD22 ASN 1 -19.498 3.438 -8.022 9 H GLN 2 H GLN 2 -20.019 -2.657 -7.207 10 HA GLN 2 HA GLN 2 -22.728 -1.755 -6.673 11 HB2 GLN 2 HB2 GLN 2 -21.599 -4.569 -6.817 12 HB3 GLN 2 HB3 GLN 2 -23.311 -4.143 -6.856 13 HG2 GLN 2 HG2 GLN 2 -23.038 -2.950 -8.940 14 HG3 GLN 2 HG3 GLN 2 -21.284 -3.126 -8.865 15 HE21 GLN 2 HE21 GLN 2 -20.894 -4.503 -10.649 16 HE22 GLN 2 HE22 GLN 2 -21.598 -6.037 -10.828 17 H GLY 3 H GLY 3 -21.517 -0.864 -4.495 18 HA2 GLY 3 HA2 GLY 3 -21.562 -0.942 -2.152 19 HA3 GLY 3 HA3 GLY 3 -22.827 -2.160 -2.323 20 H ASP 4 H ASP 4 -19.626 -2.584 -3.704 21 HA ASP 4 HA ASP 4 -18.529 -4.081 -1.492 22 HB2 ASP 4 HB2 ASP 4 -20.282 -5.683 -2.179 23 HB3 ASP 4 HB3 ASP 4 -19.635 -5.683 -3.820 24 H ASN 5 H ASN 5 -16.337 -4.458 -1.852 25 HA ASN 5 HA ASN 5 -15.225 -4.487 -4.562 26 HB2 ASN 5 HB2 ASN 5 -14.768 -2.156 -2.679 27 HB3 ASN 5 HB3 ASN 5 -13.710 -2.514 -4.044 28 HD21 ASN 5 HD21 ASN 5 -16.672 -0.987 -3.132 29 HD22 ASN 5 HD22 ASN 5 -17.227 -0.637 -4.698 30 H GLU 6 H GLU 6 -13.636 -5.982 -4.435 31 HA GLU 6 HA GLU 6 -11.672 -5.936 -2.265 32 HB2 GLU 6 HB2 GLU 6 -12.145 -8.266 -1.524 33 HB3 GLU 6 HB3 GLU 6 -13.478 -7.169 -1.160 34 HG2 GLU 6 HG2 GLU 6 -14.587 -7.904 -3.287 35 HG3 GLU 6 HG3 GLU 6 -13.306 -9.101 -3.489 36 H ILE 7 H ILE 7 -9.881 -7.381 -2.706 37 HA ILE 7 HA ILE 7 -9.897 -8.859 -5.278 38 HB ILE 7 HB ILE 7 -7.848 -7.708 -6.062 39 HG12 ILE 7 HG12 ILE 7 -8.367 -5.912 -3.668 40 HG13 ILE 7 HG13 ILE 7 -6.966 -6.955 -3.908 41 HG21 ILE 7 HG21 ILE 7 -10.201 -6.953 -6.689 42 HG22 ILE 7 HG22 ILE 7 -8.941 -5.734 -6.878 43 HG23 ILE 7 HG23 ILE 7 -10.021 -5.677 -5.484 44 HD11 ILE 7 HD11 ILE 7 -6.266 -4.754 -4.529 45 HD12 ILE 7 HD12 ILE 7 -7.721 -4.490 -5.490 46 HD13 ILE 7 HD13 ILE 7 -6.499 -5.639 -6.036 47 H SER 8 H SER 8 -7.861 -10.172 -5.489 48 HA SER 8 HA SER 8 -6.408 -10.625 -2.917 49 HB2 SER 8 HB2 SER 8 -7.801 -12.812 -4.492 50 HB3 SER 8 HB3 SER 8 -6.798 -13.045 -3.063 51 HG SER 8 HG SER 8 -9.026 -11.309 -3.046 52 H VAL 9 H VAL 9 -4.404 -11.676 -3.188 53 HA VAL 9 HA VAL 9 -3.474 -12.283 -5.943 54 HB VAL 9 HB VAL 9 -2.050 -10.280 -4.159 55 HG11 VAL 9 HG11 VAL 9 -0.503 -11.545 -5.529 56 HG12 VAL 9 HG12 VAL 9 -0.687 -9.947 -6.250 57 HG13 VAL 9 HG13 VAL 9 -1.521 -11.333 -6.953 58 HG21 VAL 9 HG21 VAL 9 -2.654 -8.685 -6.049 59 HG22 VAL 9 HG22 VAL 9 -4.008 -9.196 -5.042 60 HG23 VAL 9 HG23 VAL 9 -3.769 -9.923 -6.630 61 H GLY 10 H GLY 10 -3.130 -14.426 -5.294 62 HA2 GLY 10 HA2 GLY 10 -1.702 -16.138 -4.500 63 HA3 GLY 10 HA3 GLY 10 -0.717 -14.907 -3.705 64 H ASN 11 H ASN 11 -0.815 -14.944 -1.522 65 HA ASN 11 HA ASN 11 -3.145 -16.279 -0.190 66 HB2 ASN 11 HB2 ASN 11 -0.366 -15.608 0.825 67 HB3 ASN 11 HB3 ASN 11 -1.627 -16.394 1.773 68 HD21 ASN 11 HD21 ASN 11 -0.004 -18.248 1.880 69 HD22 ASN 11 HD22 ASN 11 0.050 -19.341 0.583 70 H LEU 12 H LEU 12 -2.415 -13.247 -1.114 71 HA LEU 12 HA LEU 12 -3.152 -11.925 1.466 72 HB2 LEU 12 HB2 LEU 12 -1.970 -10.929 -1.139 73 HB3 LEU 12 HB3 LEU 12 -2.626 -9.820 0.062 74 HG LEU 12 HG LEU 12 -1.079 -10.865 1.763 75 HD11 LEU 12 HD11 LEU 12 0.948 -12.037 0.667 76 HD12 LEU 12 HD12 LEU 12 -0.106 -12.293 -0.723 77 HD13 LEU 12 HD13 LEU 12 -0.525 -12.981 0.843 78 HD21 LEU 12 HD21 LEU 12 0.241 -9.646 -0.681 79 HD22 LEU 12 HD22 LEU 12 0.890 -9.649 0.958 80 HD23 LEU 12 HD23 LEU 12 -0.572 -8.736 0.592 81 H ARG 13 H ARG 13 -5.225 -11.306 1.748 82 HA ARG 13 HA ARG 13 -6.993 -10.958 -0.666 83 HB2 ARG 13 HB2 ARG 13 -7.725 -11.914 2.106 84 HB3 ARG 13 HB3 ARG 13 -8.864 -11.635 0.794 85 HG2 ARG 13 HG2 ARG 13 -7.634 -13.312 -0.581 86 HG3 ARG 13 HG3 ARG 13 -6.591 -13.640 0.804 87 HD2 ARG 13 HD2 ARG 13 -9.587 -14.065 0.643 88 HD3 ARG 13 HD3 ARG 13 -8.345 -15.309 0.782 89 HE ARG 13 HE ARG 13 -8.240 -13.423 2.986 90 HH11 ARG 13 HH11 ARG 13 -9.805 -16.194 1.659 91 HH12 ARG 13 HH12 ARG 13 -10.317 -16.806 3.198 92 HH21 ARG 13 HH21 ARG 13 -8.899 -14.205 5.000 93 HH22 ARG 13 HH22 ARG 13 -9.804 -15.678 5.089 94 H LEU 14 H LEU 14 -7.687 -8.922 -0.938 95 HA LEU 14 HA LEU 14 -7.560 -7.014 1.382 96 HB2 LEU 14 HB2 LEU 14 -7.399 -6.614 -1.616 97 HB3 LEU 14 HB3 LEU 14 -7.713 -5.276 -0.519 98 HG LEU 14 HG LEU 14 -5.580 -5.981 0.730 99 HD11 LEU 14 HD11 LEU 14 -3.926 -7.178 -0.804 100 HD12 LEU 14 HD12 LEU 14 -5.310 -7.642 -1.792 101 HD13 LEU 14 HD13 LEU 14 -5.194 -8.186 -0.122 102 HD21 LEU 14 HD21 LEU 14 -5.471 -4.964 -2.122 103 HD22 LEU 14 HD22 LEU 14 -4.112 -4.882 -1.000 104 HD23 LEU 14 HD23 LEU 14 -5.598 -3.998 -0.652 105 H ASN 15 H ASN 15 -9.392 -5.912 1.979 106 HA ASN 15 HA ASN 15 -11.894 -6.269 0.362 107 HB2 ASN 15 HB2 ASN 15 -11.468 -6.906 3.292 108 HB3 ASN 15 HB3 ASN 15 -13.070 -6.516 2.665 109 HD21 ASN 15 HD21 ASN 15 -10.330 -8.549 1.447 110 HD22 ASN 15 HD22 ASN 15 -11.297 -9.906 1.129 111 H VAL 16 H VAL 16 -11.930 -4.121 -0.291 112 HA VAL 16 HA VAL 16 -11.400 -1.898 1.473 113 HB VAL 16 HB VAL 16 -13.041 -1.879 -1.072 114 HG11 VAL 16 HG11 VAL 16 -13.116 0.193 0.244 115 HG12 VAL 16 HG12 VAL 16 -12.165 0.441 -1.220 116 HG13 VAL 16 HG13 VAL 16 -11.355 0.219 0.331 117 HG21 VAL 16 HG21 VAL 16 -10.964 -2.980 -1.601 118 HG22 VAL 16 HG22 VAL 16 -10.040 -1.821 -0.645 119 HG23 VAL 16 HG23 VAL 16 -10.811 -1.309 -2.146 120 H THR 17 H THR 17 -14.249 -3.763 0.657 121 HA THR 17 HA THR 17 -16.211 -1.938 1.645 122 HB THR 17 HB THR 17 -17.256 -3.641 0.464 123 HG1 THR 17 HG1 THR 17 -18.497 -4.517 1.909 124 HG21 THR 17 HG21 THR 17 -15.127 -5.442 1.635 125 HG22 THR 17 HG22 THR 17 -15.386 -5.008 -0.052 126 HG23 THR 17 HG23 THR 17 -16.517 -6.084 0.765 127 H ARG 18 H ARG 18 -14.723 -4.790 3.229 128 HA ARG 18 HA ARG 18 -15.771 -3.949 5.847 129 HB2 ARG 18 HB2 ARG 18 -13.715 -6.117 5.333 130 HB3 ARG 18 HB3 ARG 18 -14.852 -5.988 6.676 131 HG2 ARG 18 HG2 ARG 18 -15.567 -6.496 3.772 132 HG3 ARG 18 HG3 ARG 18 -15.628 -7.675 5.080 133 HD2 ARG 18 HD2 ARG 18 -17.244 -6.031 6.249 134 HD3 ARG 18 HD3 ARG 18 -17.373 -5.242 4.675 135 HE ARG 18 HE ARG 18 -18.699 -7.050 3.957 136 HH11 ARG 18 HH11 ARG 18 -16.828 -7.852 6.741 137 HH12 ARG 18 HH12 ARG 18 -17.560 -9.407 6.949 138 HH21 ARG 18 HH21 ARG 18 -19.663 -9.078 4.213 139 HH22 ARG 18 HH22 ARG 18 -19.164 -10.102 5.518 140 H ARG 19 H ARG 19 -13.039 -3.381 3.904 141 HA ARG 19 HA ARG 19 -11.091 -2.153 4.261 142 HB2 ARG 19 HB2 ARG 19 -12.886 -0.709 5.527 143 HB3 ARG 19 HB3 ARG 19 -12.137 -1.347 6.985 144 HG2 ARG 19 HG2 ARG 19 -10.868 0.591 6.684 145 HG3 ARG 19 HG3 ARG 19 -9.879 -0.569 5.802 146 HD2 ARG 19 HD2 ARG 19 -10.086 1.299 4.344 147 HD3 ARG 19 HD3 ARG 19 -11.234 0.119 3.717 148 HE ARG 19 HE ARG 19 -12.708 1.665 5.512 149 HH11 ARG 19 HH11 ARG 19 -10.752 2.161 2.714 150 HH12 ARG 19 HH12 ARG 19 -11.635 3.552 2.181 151 HH21 ARG 19 HH21 ARG 19 -13.871 3.479 4.830 152 HH22 ARG 19 HH22 ARG 19 -13.400 4.298 3.378 153 H LEU 20 H LEU 20 -10.278 -4.462 4.490 154 HA LEU 20 HA LEU 20 -8.562 -4.631 6.814 155 HB2 LEU 20 HB2 LEU 20 -10.648 -5.564 7.759 156 HB3 LEU 20 HB3 LEU 20 -10.741 -6.713 6.429 157 HG LEU 20 HG LEU 20 -8.600 -7.724 7.156 158 HD11 LEU 20 HD11 LEU 20 -7.364 -6.037 8.234 159 HD12 LEU 20 HD12 LEU 20 -7.904 -7.018 9.591 160 HD13 LEU 20 HD13 LEU 20 -8.737 -5.510 9.208 161 HD21 LEU 20 HD21 LEU 20 -10.776 -8.567 8.010 162 HD22 LEU 20 HD22 LEU 20 -10.635 -7.481 9.394 163 HD23 LEU 20 HD23 LEU 20 -9.477 -8.794 9.181 164 H VAL 21 H VAL 21 -6.914 -6.301 6.483 165 HA VAL 21 HA VAL 21 -6.948 -7.617 3.790 166 HB VAL 21 HB VAL 21 -4.584 -6.127 4.968 167 HG11 VAL 21 HG11 VAL 21 -5.047 -7.612 2.369 168 HG12 VAL 21 HG12 VAL 21 -3.843 -7.965 3.608 169 HG13 VAL 21 HG13 VAL 21 -3.693 -6.510 2.622 170 HG21 VAL 21 HG21 VAL 21 -6.576 -5.390 2.806 171 HG22 VAL 21 HG22 VAL 21 -4.993 -4.624 2.939 172 HG23 VAL 21 HG23 VAL 21 -6.158 -4.473 4.252 173 H TRP 22 H TRP 22 -5.958 -9.622 3.740 174 HA TRP 22 HA TRP 22 -5.005 -10.720 6.369 175 HB2 TRP 22 HB2 TRP 22 -6.286 -12.010 3.949 176 HB3 TRP 22 HB3 TRP 22 -5.462 -12.958 5.181 177 HD1 TRP 22 HD1 TRP 22 -6.597 -13.219 7.518 178 HE1 TRP 22 HE1 TRP 22 -8.961 -12.693 8.398 179 HE3 TRP 22 HE3 TRP 22 -8.339 -10.304 3.696 180 HZ2 TRP 22 HZ2 TRP 22 -11.281 -11.233 7.593 181 HZ3 TRP 22 HZ3 TRP 22 -10.627 -9.361 3.786 182 HH2 TRP 22 HH2 TRP 22 -12.100 -9.821 5.724 183 H LEU 23 H LEU 23 -3.038 -11.795 6.427 184 HA LEU 23 HA LEU 23 -1.327 -11.753 3.959 185 HB2 LEU 23 HB2 LEU 23 -0.689 -9.907 5.474 186 HB3 LEU 23 HB3 LEU 23 -0.556 -11.042 6.811 187 HG LEU 23 HG LEU 23 1.276 -12.213 5.621 188 HD11 LEU 23 HD11 LEU 23 2.264 -10.785 3.639 189 HD12 LEU 23 HD12 LEU 23 0.622 -10.158 3.506 190 HD13 LEU 23 HD13 LEU 23 0.926 -11.885 3.319 191 HD21 LEU 23 HD21 LEU 23 1.650 -9.208 5.895 192 HD22 LEU 23 HD22 LEU 23 2.953 -10.398 5.871 193 HD23 LEU 23 HD23 LEU 23 1.792 -10.387 7.199 194 H GLY 24 H GLY 24 -1.308 -13.973 3.539 195 HA2 GLY 24 HA2 GLY 24 -0.637 -16.214 3.915 196 HA3 GLY 24 HA3 GLY 24 0.074 -15.694 5.447 197 H GLU 25 H GLU 25 -3.226 -15.370 4.254 198 HA GLU 25 HA GLU 25 -5.277 -16.083 5.107 199 HB2 GLU 25 HB2 GLU 25 -3.777 -18.208 6.653 200 HB3 GLU 25 HB3 GLU 25 -5.436 -18.250 6.065 201 HG2 GLU 25 HG2 GLU 25 -4.484 -18.087 3.707 202 HG3 GLU 25 HG3 GLU 25 -2.898 -18.378 4.420 203 H THR 26 H THR 26 -2.834 -14.803 6.995 204 HA THR 26 HA THR 26 -4.460 -14.832 9.512 205 HB THR 26 HB THR 26 -2.494 -13.853 10.583 206 HG1 THR 26 HG1 THR 26 -1.881 -12.777 8.528 207 HG21 THR 26 HG21 THR 26 -1.063 -15.763 10.477 208 HG22 THR 26 HG22 THR 26 -1.570 -16.136 8.830 209 HG23 THR 26 HG23 THR 26 -2.694 -16.362 10.170 210 H ALA 27 H ALA 27 -5.407 -12.974 10.307 211 HA ALA 27 HA ALA 27 -6.033 -10.866 8.501 212 HB1 ALA 27 HB1 ALA 27 -7.424 -11.463 10.459 213 HB2 ALA 27 HB2 ALA 27 -7.016 -9.747 10.453 214 HB3 ALA 27 HB3 ALA 27 -6.162 -10.853 11.529 215 H LEU 28 H LEU 28 -4.670 -9.326 7.776 216 HA LEU 28 HA LEU 28 -2.254 -8.590 9.300 217 HB2 LEU 28 HB2 LEU 28 -2.341 -8.860 6.766 218 HB3 LEU 28 HB3 LEU 28 -3.298 -7.387 6.717 219 HG LEU 28 HG LEU 28 -1.439 -6.186 7.884 220 HD11 LEU 28 HD11 LEU 28 -0.110 -7.710 9.033 221 HD12 LEU 28 HD12 LEU 28 0.855 -7.525 7.577 222 HD13 LEU 28 HD13 LEU 28 -0.198 -8.924 7.761 223 HD21 LEU 28 HD21 LEU 28 -0.923 -7.561 5.231 224 HD22 LEU 28 HD22 LEU 28 0.134 -6.299 5.857 225 HD23 LEU 28 HD23 LEU 28 -1.554 -5.939 5.508 226 H ASP 29 H ASP 29 -2.181 -6.821 10.646 227 HA ASP 29 HA ASP 29 -4.555 -4.988 10.690 228 HB2 ASP 29 HB2 ASP 29 -3.912 -6.218 12.781 229 HB3 ASP 29 HB3 ASP 29 -2.395 -5.319 12.777 230 H LEU 30 H LEU 30 -4.274 -3.076 9.778 231 HA LEU 30 HA LEU 30 -1.659 -1.665 10.004 232 HB2 LEU 30 HB2 LEU 30 -1.584 -1.134 7.669 233 HB3 LEU 30 HB3 LEU 30 -1.812 -2.872 7.783 234 HG LEU 30 HG LEU 30 -3.966 -0.809 7.188 235 HD11 LEU 30 HD11 LEU 30 -4.068 -2.127 5.031 236 HD12 LEU 30 HD12 LEU 30 -2.594 -2.949 5.543 237 HD13 LEU 30 HD13 LEU 30 -2.581 -1.209 5.266 238 HD21 LEU 30 HD21 LEU 30 -5.291 -3.025 6.717 239 HD22 LEU 30 HD22 LEU 30 -5.130 -2.487 8.383 240 HD23 LEU 30 HD23 LEU 30 -4.098 -3.779 7.772 241 H THR 31 H THR 31 -1.856 0.615 9.997 242 HA THR 31 HA THR 31 -4.310 1.612 11.055 243 HB THR 31 HB THR 31 -3.231 3.736 11.157 244 HG1 THR 31 HG1 THR 31 -2.572 3.405 8.812 245 HG21 THR 31 HG21 THR 31 -1.003 1.686 11.215 246 HG22 THR 31 HG22 THR 31 -2.192 1.881 12.504 247 HG23 THR 31 HG23 THR 31 -1.082 3.197 12.121 248 HA PRO 32 HA PRO 32 -6.849 2.590 7.504 249 HB2 PRO 32 HB2 PRO 32 -6.827 5.419 8.555 250 HB3 PRO 32 HB3 PRO 32 -8.201 4.441 7.995 251 HG2 PRO 32 HG2 PRO 32 -7.745 4.789 10.594 252 HG3 PRO 32 HG3 PRO 32 -8.309 3.228 9.965 253 HD2 PRO 32 HD2 PRO 32 -5.588 3.968 10.972 254 HD3 PRO 32 HD3 PRO 32 -6.410 2.390 10.967 255 H LYS 33 H LYS 33 -4.332 5.011 8.271 256 HA LYS 33 HA LYS 33 -4.142 6.275 5.772 257 HB2 LYS 33 HB2 LYS 33 -1.950 5.583 7.747 258 HB3 LYS 33 HB3 LYS 33 -1.737 6.679 6.382 259 HG2 LYS 33 HG2 LYS 33 -3.604 8.080 7.260 260 HG3 LYS 33 HG3 LYS 33 -3.700 7.020 8.667 261 HD2 LYS 33 HD2 LYS 33 -1.432 7.583 9.320 262 HD3 LYS 33 HD3 LYS 33 -1.197 8.515 7.840 263 HE2 LYS 33 HE2 LYS 33 -1.715 9.958 9.811 264 HE3 LYS 33 HE3 LYS 33 -2.908 10.113 8.522 265 HZ1 LYS 33 HZ1 LYS 33 -3.288 8.166 10.705 266 HZ2 LYS 33 HZ2 LYS 33 -4.451 8.864 9.687 267 HZ3 LYS 33 HZ3 LYS 33 -3.728 9.794 10.911 268 H GLU 34 H GLU 34 -2.353 3.375 6.873 269 HA GLU 34 HA GLU 34 -1.001 2.912 4.412 270 HB2 GLU 34 HB2 GLU 34 -0.515 1.781 6.618 271 HB3 GLU 34 HB3 GLU 34 -1.951 0.794 6.356 272 HG2 GLU 34 HG2 GLU 34 -0.060 -0.476 5.566 273 HG3 GLU 34 HG3 GLU 34 -0.941 0.075 4.144 274 H TYR 35 H TYR 35 -4.293 2.245 5.418 275 HA TYR 35 HA TYR 35 -4.851 0.357 3.300 276 HB2 TYR 35 HB2 TYR 35 -6.188 0.928 5.536 277 HB3 TYR 35 HB3 TYR 35 -7.029 2.072 4.496 278 HD1 TYR 35 HD1 TYR 35 -8.009 1.176 2.268 279 HD2 TYR 35 HD2 TYR 35 -6.774 -1.372 5.503 280 HE1 TYR 35 HE1 TYR 35 -9.366 -0.681 1.329 281 HE2 TYR 35 HE2 TYR 35 -8.133 -3.219 4.562 282 HH TYR 35 HH TYR 35 -10.114 -3.470 3.071 283 H ALA 36 H ALA 36 -4.909 3.865 3.564 284 HA ALA 36 HA ALA 36 -6.361 4.292 1.081 285 HB1 ALA 36 HB1 ALA 36 -5.766 6.625 1.362 286 HB2 ALA 36 HB2 ALA 36 -4.502 6.209 2.519 287 HB3 ALA 36 HB3 ALA 36 -6.198 5.982 2.946 288 H LEU 37 H LEU 37 -2.916 4.637 2.010 289 HA LEU 37 HA LEU 37 -1.955 5.171 -0.622 290 HB2 LEU 37 HB2 LEU 37 -0.488 3.635 1.546 291 HB3 LEU 37 HB3 LEU 37 0.242 4.525 0.214 292 HG LEU 37 HG LEU 37 -1.548 5.977 2.177 293 HD11 LEU 37 HD11 LEU 37 0.585 6.559 3.436 294 HD12 LEU 37 HD12 LEU 37 1.352 5.215 2.589 295 HD13 LEU 37 HD13 LEU 37 -0.006 4.916 3.670 296 HD21 LEU 37 HD21 LEU 37 -0.418 7.905 1.417 297 HD22 LEU 37 HD22 LEU 37 -0.565 6.930 -0.040 298 HD23 LEU 37 HD23 LEU 37 0.964 6.984 0.826 299 H LEU 38 H LEU 38 -2.630 2.197 1.110 300 HA LEU 38 HA LEU 38 -1.538 0.367 -0.777 301 HB2 LEU 38 HB2 LEU 38 -2.142 -0.365 1.453 302 HB3 LEU 38 HB3 LEU 38 -3.818 0.101 1.198 303 HG LEU 38 HG LEU 38 -4.126 -1.651 -0.449 304 HD11 LEU 38 HD11 LEU 38 -2.139 -3.280 -0.790 305 HD12 LEU 38 HD12 LEU 38 -1.129 -1.972 -0.173 306 HD13 LEU 38 HD13 LEU 38 -2.076 -1.740 -1.642 307 HD21 LEU 38 HD21 LEU 38 -4.367 -2.318 1.887 308 HD22 LEU 38 HD22 LEU 38 -2.634 -2.626 2.006 309 HD23 LEU 38 HD23 LEU 38 -3.642 -3.643 0.975 310 H SER 39 H SER 39 -4.814 1.746 -0.469 311 HA SER 39 HA SER 39 -6.121 0.309 -2.490 312 HB2 SER 39 HB2 SER 39 -6.475 3.257 -1.889 313 HB3 SER 39 HB3 SER 39 -7.656 2.195 -2.652 314 HG SER 39 HG SER 39 -8.219 2.161 -0.558 315 H ARG 40 H ARG 40 -3.986 3.114 -2.795 316 HA ARG 40 HA ARG 40 -4.411 3.315 -5.689 317 HB2 ARG 40 HB2 ARG 40 -2.574 4.635 -3.687 318 HB3 ARG 40 HB3 ARG 40 -2.352 4.899 -5.414 319 HG2 ARG 40 HG2 ARG 40 -5.072 5.304 -4.145 320 HG3 ARG 40 HG3 ARG 40 -3.854 6.572 -4.056 321 HD2 ARG 40 HD2 ARG 40 -3.657 6.433 -6.585 322 HD3 ARG 40 HD3 ARG 40 -5.067 5.375 -6.563 323 HE ARG 40 HE ARG 40 -5.792 7.659 -5.099 324 HH11 ARG 40 HH11 ARG 40 -4.709 6.814 -8.262 325 HH12 ARG 40 HH12 ARG 40 -5.548 8.113 -9.042 326 HH21 ARG 40 HH21 ARG 40 -6.894 9.360 -6.099 327 HH22 ARG 40 HH22 ARG 40 -6.786 9.554 -7.817 328 H LEU 41 H LEU 41 -1.840 2.130 -3.536 329 HA LEU 41 HA LEU 41 -0.026 1.429 -5.610 330 HB2 LEU 41 HB2 LEU 41 0.711 1.602 -3.304 331 HB3 LEU 41 HB3 LEU 41 -0.371 0.304 -2.822 332 HG LEU 41 HG LEU 41 0.888 -1.318 -4.108 333 HD11 LEU 41 HD11 LEU 41 2.331 1.125 -5.148 334 HD12 LEU 41 HD12 LEU 41 1.602 -0.197 -6.060 335 HD13 LEU 41 HD13 LEU 41 3.104 -0.462 -5.182 336 HD21 LEU 41 HD21 LEU 41 1.778 -0.979 -1.910 337 HD22 LEU 41 HD22 LEU 41 2.580 0.517 -2.387 338 HD23 LEU 41 HD23 LEU 41 3.170 -1.028 -2.992 339 H MET 42 H MET 42 -2.637 -0.454 -4.061 340 HA MET 42 HA MET 42 -1.982 -2.879 -5.514 341 HB2 MET 42 HB2 MET 42 -4.040 -3.774 -4.640 342 HB3 MET 42 HB3 MET 42 -3.312 -2.804 -3.363 343 HG2 MET 42 HG2 MET 42 -4.773 -0.875 -4.193 344 HG3 MET 42 HG3 MET 42 -5.638 -2.070 -5.154 345 HE1 MET 42 HE1 MET 42 -8.063 -2.651 -4.019 346 HE2 MET 42 HE2 MET 42 -7.509 -0.970 -4.029 347 HE3 MET 42 HE3 MET 42 -8.279 -1.641 -2.592 348 H MET 43 H MET 43 -4.228 -0.196 -6.042 349 HA MET 43 HA MET 43 -5.689 -1.228 -8.216 350 HB2 MET 43 HB2 MET 43 -6.052 1.003 -7.057 351 HB3 MET 43 HB3 MET 43 -4.701 1.634 -7.994 352 HG2 MET 43 HG2 MET 43 -7.054 0.296 -9.348 353 HG3 MET 43 HG3 MET 43 -7.079 2.009 -8.938 354 HE1 MET 43 HE1 MET 43 -6.486 2.365 -12.652 355 HE2 MET 43 HE2 MET 43 -7.534 2.594 -11.245 356 HE3 MET 43 HE3 MET 43 -7.382 1.002 -11.985 357 H LYS 44 H LYS 44 -2.415 -0.071 -8.017 358 HA LYS 44 HA LYS 44 -2.017 -0.568 -10.962 359 HB2 LYS 44 HB2 LYS 44 -0.698 1.320 -9.006 360 HB3 LYS 44 HB3 LYS 44 0.087 0.886 -10.523 361 HG2 LYS 44 HG2 LYS 44 -2.768 1.889 -10.539 362 HG3 LYS 44 HG3 LYS 44 -1.440 3.038 -10.420 363 HD2 LYS 44 HD2 LYS 44 -0.451 2.026 -12.502 364 HD3 LYS 44 HD3 LYS 44 -1.901 1.034 -12.654 365 HE2 LYS 44 HE2 LYS 44 -2.063 3.087 -14.024 366 HE3 LYS 44 HE3 LYS 44 -3.293 3.056 -12.761 367 HZ1 LYS 44 HZ1 LYS 44 -2.022 4.533 -11.435 368 HZ2 LYS 44 HZ2 LYS 44 -2.088 5.205 -12.991 369 HZ3 LYS 44 HZ3 LYS 44 -0.677 4.420 -12.466 370 H ALA 45 H ALA 45 -2.051 -2.726 -9.149 371 HA ALA 45 HA ALA 45 0.586 -3.352 -8.180 372 HB1 ALA 45 HB1 ALA 45 -0.307 -5.533 -7.686 373 HB2 ALA 45 HB2 ALA 45 -1.640 -5.299 -8.818 374 HB3 ALA 45 HB3 ALA 45 -1.571 -4.355 -7.330 375 H GLY 46 H GLY 46 2.205 -4.521 -9.145 376 HA2 GLY 46 HA2 GLY 46 3.147 -6.025 -10.797 377 HA3 GLY 46 HA3 GLY 46 1.752 -5.734 -11.837 378 H SER 47 H SER 47 2.171 -2.747 -11.048 379 HA SER 47 HA SER 47 4.375 -2.178 -13.017 380 HB2 SER 47 HB2 SER 47 1.699 -0.840 -12.559 381 HB3 SER 47 HB3 SER 47 3.006 -0.027 -13.412 382 HG SER 47 HG SER 47 1.461 -1.292 -14.711 383 HA PRO 48 HA PRO 48 6.162 0.111 -9.649 384 HB2 PRO 48 HB2 PRO 48 7.662 1.988 -10.949 385 HB3 PRO 48 HB3 PRO 48 8.086 0.263 -10.961 386 HG2 PRO 48 HG2 PRO 48 6.634 1.859 -13.044 387 HG3 PRO 48 HG3 PRO 48 7.951 0.685 -13.249 388 HD2 PRO 48 HD2 PRO 48 5.344 0.007 -13.673 389 HD3 PRO 48 HD3 PRO 48 6.524 -1.158 -13.031 390 H VAL 49 H VAL 49 4.959 1.452 -8.359 391 HA VAL 49 HA VAL 49 3.455 3.695 -9.589 392 HB VAL 49 HB VAL 49 3.333 2.478 -6.822 393 HG11 VAL 49 HG11 VAL 49 1.157 3.814 -6.752 394 HG12 VAL 49 HG12 VAL 49 1.745 4.678 -8.172 395 HG13 VAL 49 HG13 VAL 49 2.636 4.768 -6.653 396 HG21 VAL 49 HG21 VAL 49 1.204 1.546 -7.619 397 HG22 VAL 49 HG22 VAL 49 2.531 1.009 -8.647 398 HG23 VAL 49 HG23 VAL 49 1.455 2.294 -9.194 399 H HIS 50 H HIS 50 3.955 5.813 -9.163 400 HA HIS 50 HA HIS 50 6.487 6.413 -7.876 401 HB2 HIS 50 HB2 HIS 50 5.426 7.706 -9.807 402 HB3 HIS 50 HB3 HIS 50 4.307 8.382 -8.627 403 HD1 HIS 50 HD1 HIS 50 5.727 10.599 -9.645 404 HD2 HIS 50 HD2 HIS 50 7.650 8.150 -6.867 405 HE1 HIS 50 HE1 HIS 50 7.635 11.959 -8.683 406 HE2 HIS 50 HE2 HIS 50 8.807 10.479 -6.992 407 H ARG 51 H ARG 51 6.753 6.760 -5.715 408 HA ARG 51 HA ARG 51 4.711 6.436 -3.803 409 HB2 ARG 51 HB2 ARG 51 6.285 7.258 -2.153 410 HB3 ARG 51 HB3 ARG 51 7.177 6.292 -3.326 411 HG2 ARG 51 HG2 ARG 51 7.757 8.434 -4.529 412 HG3 ARG 51 HG3 ARG 51 7.033 9.319 -3.187 413 HD2 ARG 51 HD2 ARG 51 9.442 9.142 -2.834 414 HD3 ARG 51 HD3 ARG 51 8.594 8.179 -1.625 415 HE ARG 51 HE ARG 51 9.119 6.393 -3.692 416 HH11 ARG 51 HH11 ARG 51 10.907 8.569 -1.702 417 HH12 ARG 51 HH12 ARG 51 12.353 7.617 -1.731 418 HH21 ARG 51 HH21 ARG 51 11.000 5.138 -3.742 419 HH22 ARG 51 HH22 ARG 51 12.406 5.675 -2.887 420 H GLU 52 H GLU 52 5.417 9.063 -5.824 421 HA GLU 52 HA GLU 52 4.536 11.254 -4.230 422 HB2 GLU 52 HB2 GLU 52 5.691 11.450 -6.446 423 HB3 GLU 52 HB3 GLU 52 4.202 10.912 -7.223 424 HG2 GLU 52 HG2 GLU 52 2.990 12.823 -6.305 425 HG3 GLU 52 HG3 GLU 52 4.429 13.344 -5.429 426 H ILE 53 H ILE 53 2.688 9.368 -6.682 427 HA ILE 53 HA ILE 53 0.179 10.541 -6.187 428 HB ILE 53 HB ILE 53 0.777 7.668 -6.946 429 HG12 ILE 53 HG12 ILE 53 0.123 10.027 -8.738 430 HG13 ILE 53 HG13 ILE 53 1.774 9.511 -8.395 431 HG21 ILE 53 HG21 ILE 53 -1.722 9.372 -7.123 432 HG22 ILE 53 HG22 ILE 53 -1.527 7.837 -6.279 433 HG23 ILE 53 HG23 ILE 53 -1.511 7.882 -8.040 434 HD11 ILE 53 HD11 ILE 53 -0.395 7.811 -9.660 435 HD12 ILE 53 HD12 ILE 53 1.228 7.248 -9.262 436 HD13 ILE 53 HD13 ILE 53 1.004 8.495 -10.488 437 H LEU 54 H LEU 54 1.908 8.117 -4.334 438 HA LEU 54 HA LEU 54 -0.388 7.299 -2.761 439 HB2 LEU 54 HB2 LEU 54 2.520 7.178 -1.919 440 HB3 LEU 54 HB3 LEU 54 1.200 6.149 -1.372 441 HG LEU 54 HG LEU 54 2.388 6.229 -4.158 442 HD11 LEU 54 HD11 LEU 54 3.186 4.022 -3.677 443 HD12 LEU 54 HD12 LEU 54 2.225 3.920 -2.201 444 HD13 LEU 54 HD13 LEU 54 3.615 5.003 -2.276 445 HD21 LEU 54 HD21 LEU 54 -0.078 4.865 -3.047 446 HD22 LEU 54 HD22 LEU 54 0.778 4.207 -4.443 447 HD23 LEU 54 HD23 LEU 54 0.080 5.821 -4.523 448 H TYR 55 H TYR 55 2.278 9.575 -2.248 449 HA TYR 55 HA TYR 55 1.583 10.486 0.336 450 HB2 TYR 55 HB2 TYR 55 3.631 11.224 -0.812 451 HB3 TYR 55 HB3 TYR 55 2.665 12.122 -1.981 452 HD1 TYR 55 HD1 TYR 55 2.929 11.771 1.761 453 HD2 TYR 55 HD2 TYR 55 2.457 14.436 -1.582 454 HE1 TYR 55 HE1 TYR 55 2.895 13.706 3.304 455 HE2 TYR 55 HE2 TYR 55 2.431 16.368 -0.030 456 HH TYR 55 HH TYR 55 3.366 16.822 2.357 457 H ASN 56 H ASN 56 0.220 11.326 -2.790 458 HA ASN 56 HA ASN 56 -1.443 13.472 -1.931 459 HB2 ASN 56 HB2 ASN 56 -1.855 11.539 -4.224 460 HB3 ASN 56 HB3 ASN 56 -2.699 13.073 -4.015 461 HD21 ASN 56 HD21 ASN 56 0.465 11.627 -4.762 462 HD22 ASN 56 HD22 ASN 56 1.174 13.059 -5.340 463 H ASP 57 H ASP 57 -1.749 10.044 -1.513 464 HA ASP 57 HA ASP 57 -4.571 9.795 -1.365 465 HB2 ASP 57 HB2 ASP 57 -2.400 8.371 0.173 466 HB3 ASP 57 HB3 ASP 57 -4.096 7.913 0.257 467 H ILE 58 H ILE 58 -2.308 10.387 1.338 468 HA ILE 58 HA ILE 58 -4.532 11.081 3.118 469 HB ILE 58 HB ILE 58 -1.591 11.526 3.678 470 HG12 ILE 58 HG12 ILE 58 -1.722 9.263 2.851 471 HG13 ILE 58 HG13 ILE 58 -1.628 9.181 4.608 472 HG21 ILE 58 HG21 ILE 58 -3.281 12.390 5.294 473 HG22 ILE 58 HG22 ILE 58 -2.272 11.119 5.986 474 HG23 ILE 58 HG23 ILE 58 -3.917 10.753 5.465 475 HD11 ILE 58 HD11 ILE 58 -4.200 9.088 4.579 476 HD12 ILE 58 HD12 ILE 58 -3.350 7.653 4.011 477 HD13 ILE 58 HD13 ILE 58 -4.054 8.776 2.850 478 H TYR 59 H TYR 59 -1.983 12.845 1.394 479 HA TYR 59 HA TYR 59 -3.088 15.440 2.405 480 HB2 TYR 59 HB2 TYR 59 -0.514 14.790 0.938 481 HB3 TYR 59 HB3 TYR 59 -1.002 16.404 1.458 482 HD1 TYR 59 HD1 TYR 59 -1.085 16.998 3.837 483 HD2 TYR 59 HD2 TYR 59 0.162 13.092 2.559 484 HE1 TYR 59 HE1 TYR 59 -0.177 16.548 6.099 485 HE2 TYR 59 HE2 TYR 59 1.070 12.641 4.821 486 HH TYR 59 HH TYR 59 1.027 15.144 7.350 487 H SER 60 H SER 60 -3.632 17.102 0.880 488 HA SER 60 HA SER 60 -3.587 16.596 -1.982 489 HB2 SER 60 HB2 SER 60 -5.501 15.159 -1.159 490 HB3 SER 60 HB3 SER 60 -6.300 16.638 -0.635 491 HG SER 60 HG SER 60 -6.079 17.365 -2.838 492 H TRP 61 H TRP 61 -3.069 18.665 0.230 493 HA TRP 61 HA TRP 61 -3.802 20.981 -1.348 494 HB2 TRP 61 HB2 TRP 61 -5.218 22.051 0.413 495 HB3 TRP 61 HB3 TRP 61 -5.978 20.625 -0.292 496 HD1 TRP 61 HD1 TRP 61 -5.834 18.329 1.162 497 HE1 TRP 61 HE1 TRP 61 -5.761 17.989 3.718 498 HE3 TRP 61 HE3 TRP 61 -4.444 23.017 2.634 499 HZ2 TRP 61 HZ2 TRP 61 -5.188 19.507 6.073 500 HZ3 TRP 61 HZ3 TRP 61 -4.142 23.542 5.037 501 HH2 TRP 61 HH2 TRP 61 -4.513 21.796 6.757 502 H ASP 62 H ASP 62 -1.919 19.375 0.806 503 HA ASP 62 HA ASP 62 -1.017 21.388 2.611 504 HB2 ASP 62 HB2 ASP 62 1.097 20.015 2.693 505 HB3 ASP 62 HB3 ASP 62 -0.375 19.079 2.956 506 H ASN 63 H ASN 63 1.728 20.487 0.879 507 HA ASN 63 HA ASN 63 1.703 22.704 -1.046 508 HB2 ASN 63 HB2 ASN 63 3.434 22.783 1.443 509 HB3 ASN 63 HB3 ASN 63 3.727 23.780 0.017 510 HD21 ASN 63 HD21 ASN 63 1.560 23.291 2.765 511 HD22 ASN 63 HD22 ASN 63 0.671 24.719 2.550 512 H GLU 64 H GLU 64 4.617 21.601 0.564 513 HA GLU 64 HA GLU 64 5.144 19.399 -1.241 514 HB2 GLU 64 HB2 GLU 64 5.390 21.461 -2.726 515 HB3 GLU 64 HB3 GLU 64 6.782 21.899 -1.737 516 HG2 GLU 64 HG2 GLU 64 7.860 19.755 -2.281 517 HG3 GLU 64 HG3 GLU 64 6.460 19.286 -3.245 518 HA PRO 65 HA PRO 65 7.824 19.955 2.584 519 HB2 PRO 65 HB2 PRO 65 6.791 17.992 4.152 520 HB3 PRO 65 HB3 PRO 65 6.038 19.598 4.052 521 HG2 PRO 65 HG2 PRO 65 5.271 17.066 2.641 522 HG3 PRO 65 HG3 PRO 65 4.233 18.251 3.459 523 HD2 PRO 65 HD2 PRO 65 4.597 18.225 0.730 524 HD3 PRO 65 HD3 PRO 65 4.238 19.711 1.638 525 H ALA 66 H ALA 66 9.287 19.078 0.800 526 HA ALA 66 HA ALA 66 9.522 16.211 0.450 527 HB1 ALA 66 HB1 ALA 66 10.312 17.802 -1.262 528 HB2 ALA 66 HB2 ALA 66 11.628 16.762 -0.718 529 HB3 ALA 66 HB3 ALA 66 11.516 18.422 -0.133 530 H THR 67 H THR 67 10.342 18.261 2.997 531 HA THR 67 HA THR 67 12.840 17.304 3.892 532 HB THR 67 HB THR 67 11.757 19.149 5.031 533 HG1 THR 67 HG1 THR 67 12.366 18.541 6.976 534 HG21 THR 67 HG21 THR 67 9.649 17.123 5.833 535 HG22 THR 67 HG22 THR 67 9.427 18.425 4.665 536 HG23 THR 67 HG23 THR 67 9.712 18.804 6.364 537 H ASN 68 H ASN 68 13.219 15.719 5.699 538 HA ASN 68 HA ASN 68 12.059 13.161 5.045 539 HB2 ASN 68 HB2 ASN 68 14.375 13.558 6.008 540 HB3 ASN 68 HB3 ASN 68 13.595 13.859 7.561 541 HD21 ASN 68 HD21 ASN 68 14.016 11.978 8.763 542 HD22 ASN 68 HD22 ASN 68 13.689 10.402 8.222 543 H THR 69 H THR 69 9.927 12.815 5.507 544 HA THR 69 HA THR 69 9.055 12.774 8.275 545 HB THR 69 HB THR 69 7.652 14.734 6.443 546 HG1 THR 69 HG1 THR 69 8.672 16.093 8.316 547 HG21 THR 69 HG21 THR 69 6.246 13.747 8.188 548 HG22 THR 69 HG22 THR 69 6.581 15.436 8.568 549 HG23 THR 69 HG23 THR 69 7.450 14.153 9.410 550 H LEU 70 H LEU 70 7.205 13.383 5.295 551 HA LEU 70 HA LEU 70 5.309 11.340 5.749 552 HB2 LEU 70 HB2 LEU 70 4.713 11.589 3.393 553 HB3 LEU 70 HB3 LEU 70 5.033 13.163 4.111 554 HG LEU 70 HG LEU 70 7.558 12.524 3.180 555 HD11 LEU 70 HD11 LEU 70 5.564 11.372 1.198 556 HD12 LEU 70 HD12 LEU 70 6.826 10.479 2.042 557 HD13 LEU 70 HD13 LEU 70 7.260 11.696 0.848 558 HD21 LEU 70 HD21 LEU 70 7.096 14.065 1.320 559 HD22 LEU 70 HD22 LEU 70 6.348 14.651 2.806 560 HD23 LEU 70 HD23 LEU 70 5.361 13.868 1.571 561 H GLU 71 H GLU 71 8.442 11.213 4.083 562 HA GLU 71 HA GLU 71 8.134 8.538 3.077 563 HB2 GLU 71 HB2 GLU 71 9.867 10.251 2.353 564 HB3 GLU 71 HB3 GLU 71 10.737 9.886 3.842 565 HG2 GLU 71 HG2 GLU 71 11.700 8.495 2.141 566 HG3 GLU 71 HG3 GLU 71 10.691 7.440 3.130 567 H VAL 72 H VAL 72 9.167 9.857 6.174 568 HA VAL 72 HA VAL 72 10.249 7.358 7.168 569 HB VAL 72 HB VAL 72 9.203 9.724 8.727 570 HG11 VAL 72 HG11 VAL 72 11.076 7.444 9.408 571 HG12 VAL 72 HG12 VAL 72 9.515 7.798 10.148 572 HG13 VAL 72 HG13 VAL 72 10.883 8.879 10.415 573 HG21 VAL 72 HG21 VAL 72 11.986 9.140 7.670 574 HG22 VAL 72 HG22 VAL 72 11.567 10.480 8.739 575 HG23 VAL 72 HG23 VAL 72 10.915 10.420 7.101 576 H HIS 73 H HIS 73 7.131 9.017 7.430 577 HA HIS 73 HA HIS 73 5.882 7.200 9.233 578 HB2 HIS 73 HB2 HIS 73 4.682 8.742 6.904 579 HB3 HIS 73 HB3 HIS 73 3.743 7.931 8.157 580 HD1 HIS 73 HD1 HIS 73 5.822 8.765 10.483 581 HD2 HIS 73 HD2 HIS 73 3.928 11.343 7.805 582 HE1 HIS 73 HE1 HIS 73 5.809 11.052 11.576 583 HE2 HIS 73 HE2 HIS 73 4.657 12.628 9.955 584 H ILE 74 H ILE 74 6.398 7.145 5.758 585 HA ILE 74 HA ILE 74 4.898 4.761 5.211 586 HB ILE 74 HB ILE 74 7.322 5.915 3.796 587 HG12 ILE 74 HG12 ILE 74 5.071 7.260 3.991 588 HG13 ILE 74 HG13 ILE 74 5.847 7.124 2.419 589 HG21 ILE 74 HG21 ILE 74 6.398 4.554 1.840 590 HG22 ILE 74 HG22 ILE 74 5.418 3.695 3.029 591 HG23 ILE 74 HG23 ILE 74 7.179 3.637 3.129 592 HD11 ILE 74 HD11 ILE 74 3.253 6.639 2.699 593 HD12 ILE 74 HD12 ILE 74 3.819 5.038 3.173 594 HD13 ILE 74 HD13 ILE 74 4.232 5.685 1.588 595 H HIS 75 H HIS 75 8.227 5.344 6.258 596 HA HIS 75 HA HIS 75 9.084 2.604 6.008 597 HB2 HIS 75 HB2 HIS 75 10.629 4.567 6.253 598 HB3 HIS 75 HB3 HIS 75 10.113 4.708 7.934 599 HD1 HIS 75 HD1 HIS 75 12.630 3.122 5.903 600 HD2 HIS 75 HD2 HIS 75 10.578 2.072 9.380 601 HE1 HIS 75 HE1 HIS 75 13.973 1.271 6.999 602 HE2 HIS 75 HE2 HIS 75 12.733 0.627 9.115 603 H ASN 76 H ASN 76 7.440 4.423 8.539 604 HA ASN 76 HA ASN 76 7.727 2.392 10.573 605 HB2 ASN 76 HB2 ASN 76 7.181 4.795 11.037 606 HB3 ASN 76 HB3 ASN 76 5.582 4.520 10.344 607 HD21 ASN 76 HD21 ASN 76 4.313 4.662 12.259 608 HD22 ASN 76 HD22 ASN 76 4.499 3.614 13.581 609 H LEU 77 H LEU 77 5.180 3.165 8.220 610 HA LEU 77 HA LEU 77 3.392 1.091 9.155 611 HB2 LEU 77 HB2 LEU 77 3.506 2.450 6.448 612 HB3 LEU 77 HB3 LEU 77 2.148 1.521 7.075 613 HG LEU 77 HG LEU 77 3.266 3.981 8.453 614 HD11 LEU 77 HD11 LEU 77 1.426 5.236 7.479 615 HD12 LEU 77 HD12 LEU 77 0.815 3.790 6.679 616 HD13 LEU 77 HD13 LEU 77 2.353 4.493 6.177 617 HD21 LEU 77 HD21 LEU 77 0.850 3.895 9.436 618 HD22 LEU 77 HD22 LEU 77 2.029 2.742 10.050 619 HD23 LEU 77 HD23 LEU 77 0.829 2.228 8.865 620 H ARG 78 H ARG 78 5.777 1.260 6.512 621 HA ARG 78 HA ARG 78 5.264 -1.198 5.261 622 HB2 ARG 78 HB2 ARG 78 7.850 0.276 5.800 623 HB3 ARG 78 HB3 ARG 78 7.854 -1.261 4.936 624 HG2 ARG 78 HG2 ARG 78 6.427 -0.379 3.205 625 HG3 ARG 78 HG3 ARG 78 6.149 1.105 4.114 626 HD2 ARG 78 HD2 ARG 78 7.854 1.346 2.276 627 HD3 ARG 78 HD3 ARG 78 8.467 1.760 3.877 628 HE ARG 78 HE ARG 78 9.013 -0.989 3.444 629 HH11 ARG 78 HH11 ARG 78 9.807 2.131 2.201 630 HH12 ARG 78 HH12 ARG 78 11.391 1.666 1.680 631 HH21 ARG 78 HH21 ARG 78 11.078 -1.612 2.770 632 HH22 ARG 78 HH22 ARG 78 12.111 -0.453 2.001 633 H GLU 79 H GLU 79 7.198 -0.615 8.205 634 HA GLU 79 HA GLU 79 7.961 -3.338 8.612 635 HB2 GLU 79 HB2 GLU 79 7.557 -1.059 10.567 636 HB3 GLU 79 HB3 GLU 79 8.236 -2.622 11.023 637 HG2 GLU 79 HG2 GLU 79 9.993 -2.304 9.255 638 HG3 GLU 79 HG3 GLU 79 9.365 -0.676 8.991 639 H LYS 80 H LYS 80 4.953 -1.645 9.268 640 HA LYS 80 HA LYS 80 3.933 -3.635 11.110 641 HB2 LYS 80 HB2 LYS 80 2.507 -1.502 9.501 642 HB3 LYS 80 HB3 LYS 80 1.754 -2.483 10.757 643 HG2 LYS 80 HG2 LYS 80 3.420 -1.636 12.392 644 HG3 LYS 80 HG3 LYS 80 4.108 -0.610 11.134 645 HD2 LYS 80 HD2 LYS 80 1.842 0.446 10.851 646 HD3 LYS 80 HD3 LYS 80 1.296 -0.474 12.255 647 HE2 LYS 80 HE2 LYS 80 3.120 0.572 13.599 648 HE3 LYS 80 HE3 LYS 80 3.544 1.558 12.201 649 HZ1 LYS 80 HZ1 LYS 80 1.659 2.139 14.109 650 HZ2 LYS 80 HZ2 LYS 80 0.757 1.678 12.750 651 HZ3 LYS 80 HZ3 LYS 80 1.885 2.942 12.630 652 H ILE 81 H ILE 81 3.454 -3.009 7.629 653 HA ILE 81 HA ILE 81 1.676 -5.317 7.352 654 HB ILE 81 HB ILE 81 1.968 -4.758 4.857 655 HG12 ILE 81 HG12 ILE 81 3.267 -2.266 5.988 656 HG13 ILE 81 HG13 ILE 81 4.179 -3.582 5.250 657 HG21 ILE 81 HG21 ILE 81 1.002 -2.534 6.684 658 HG22 ILE 81 HG22 ILE 81 0.061 -3.964 6.259 659 HG23 ILE 81 HG23 ILE 81 0.508 -2.800 5.012 660 HD11 ILE 81 HD11 ILE 81 2.783 -3.306 3.183 661 HD12 ILE 81 HD12 ILE 81 3.763 -1.890 3.557 662 HD13 ILE 81 HD13 ILE 81 2.039 -1.891 3.926 663 H GLY 82 H GLY 82 5.074 -4.578 6.870 664 HA2 GLY 82 HA2 GLY 82 6.784 -6.286 6.891 665 HA3 GLY 82 HA3 GLY 82 5.593 -7.471 6.348 666 H LYS 83 H LYS 83 7.572 -4.758 5.349 667 HA LYS 83 HA LYS 83 6.903 -4.351 2.701 668 HB2 LYS 83 HB2 LYS 83 9.365 -3.966 2.289 669 HB3 LYS 83 HB3 LYS 83 8.720 -3.110 3.690 670 HG2 LYS 83 HG2 LYS 83 9.572 -4.858 5.184 671 HG3 LYS 83 HG3 LYS 83 10.166 -5.775 3.799 672 HD2 LYS 83 HD2 LYS 83 11.644 -3.873 3.196 673 HD3 LYS 83 HD3 LYS 83 11.084 -3.006 4.627 674 HE2 LYS 83 HE2 LYS 83 13.163 -4.072 5.213 675 HE3 LYS 83 HE3 LYS 83 11.874 -4.971 6.012 676 HZ1 LYS 83 HZ1 LYS 83 13.740 -6.144 4.569 677 HZ2 LYS 83 HZ2 LYS 83 12.624 -5.834 3.331 678 HZ3 LYS 83 HZ3 LYS 83 12.159 -6.756 4.680 679 H SER 84 H SER 84 8.023 -7.308 4.054 680 HA SER 84 HA SER 84 9.358 -8.552 1.922 681 HB2 SER 84 HB2 SER 84 7.316 -9.787 3.794 682 HB3 SER 84 HB3 SER 84 8.478 -10.682 2.819 683 HG SER 84 HG SER 84 9.052 -8.771 4.844 684 H ARG 85 H ARG 85 5.833 -8.257 2.465 685 HA ARG 85 HA ARG 85 5.176 -9.654 -0.005 686 HB2 ARG 85 HB2 ARG 85 2.877 -8.491 0.443 687 HB3 ARG 85 HB3 ARG 85 3.436 -9.710 1.588 688 HG2 ARG 85 HG2 ARG 85 4.010 -8.122 3.218 689 HG3 ARG 85 HG3 ARG 85 4.163 -6.813 2.045 690 HD2 ARG 85 HD2 ARG 85 1.521 -8.145 2.674 691 HD3 ARG 85 HD3 ARG 85 2.100 -6.721 3.532 692 HE ARG 85 HE ARG 85 2.182 -6.307 0.675 693 HH11 ARG 85 HH11 ARG 85 0.142 -6.472 3.450 694 HH12 ARG 85 HH12 ARG 85 -1.057 -5.405 2.797 695 HH21 ARG 85 HH21 ARG 85 0.628 -4.914 -0.194 696 HH22 ARG 85 HH22 ARG 85 -0.782 -4.525 0.733 697 H ILE 86 H ILE 86 6.812 -6.897 0.278 698 HA ILE 86 HA ILE 86 5.629 -5.721 -2.211 699 HB ILE 86 HB ILE 86 6.494 -4.188 0.267 700 HG12 ILE 86 HG12 ILE 86 3.813 -4.217 -1.151 701 HG13 ILE 86 HG13 ILE 86 4.176 -5.237 0.238 702 HG21 ILE 86 HG21 ILE 86 5.766 -3.286 -2.534 703 HG22 ILE 86 HG22 ILE 86 7.236 -2.925 -1.630 704 HG23 ILE 86 HG23 ILE 86 5.706 -2.201 -1.146 705 HD11 ILE 86 HD11 ILE 86 4.449 -2.223 0.254 706 HD12 ILE 86 HD12 ILE 86 4.583 -3.311 1.636 707 HD13 ILE 86 HD13 ILE 86 3.027 -3.085 0.838 708 H ARG 87 H ARG 87 7.208 -4.438 -3.415 709 HA ARG 87 HA ARG 87 10.080 -4.948 -2.720 710 HB2 ARG 87 HB2 ARG 87 9.338 -6.688 -4.332 711 HB3 ARG 87 HB3 ARG 87 8.817 -5.419 -5.441 712 HG2 ARG 87 HG2 ARG 87 11.072 -4.606 -5.691 713 HG3 ARG 87 HG3 ARG 87 11.651 -5.658 -4.399 714 HD2 ARG 87 HD2 ARG 87 12.103 -6.485 -6.765 715 HD3 ARG 87 HD3 ARG 87 11.272 -7.627 -5.709 716 HE ARG 87 HE ARG 87 9.270 -6.160 -7.054 717 HH11 ARG 87 HH11 ARG 87 11.893 -8.294 -7.733 718 HH12 ARG 87 HH12 ARG 87 11.157 -8.958 -9.153 719 HH21 ARG 87 HH21 ARG 87 8.295 -7.018 -8.903 720 HH22 ARG 87 HH22 ARG 87 9.121 -8.237 -9.815 721 H THR 88 H THR 88 11.166 -3.050 -2.808 722 HA THR 88 HA THR 88 9.918 -0.714 -4.132 723 HB THR 88 HB THR 88 11.300 0.606 -2.798 724 HG1 THR 88 HG1 THR 88 13.130 -1.529 -3.050 725 HG21 THR 88 HG21 THR 88 9.998 -1.112 -1.400 726 HG22 THR 88 HG22 THR 88 11.347 -0.306 -0.602 727 HG23 THR 88 HG23 THR 88 11.535 -1.952 -1.205 728 H VAL 89 H VAL 89 10.772 0.309 -5.927 729 HA VAL 89 HA VAL 89 12.845 -1.205 -7.458 730 HB VAL 89 HB VAL 89 10.969 0.998 -8.363 731 HG11 VAL 89 HG11 VAL 89 12.883 0.860 -9.817 732 HG12 VAL 89 HG12 VAL 89 11.557 0.025 -10.627 733 HG13 VAL 89 HG13 VAL 89 12.822 -0.903 -9.822 734 HG21 VAL 89 HG21 VAL 89 9.763 -1.033 -7.624 735 HG22 VAL 89 HG22 VAL 89 10.779 -2.016 -8.679 736 HG23 VAL 89 HG23 VAL 89 9.667 -0.837 -9.374 737 H ARG 90 H ARG 90 14.858 -0.459 -6.966 738 HA ARG 90 HA ARG 90 16.632 1.038 -6.599 739 HB2 ARG 90 HB2 ARG 90 15.006 2.321 -8.803 740 HB3 ARG 90 HB3 ARG 90 16.512 3.046 -8.241 741 HG2 ARG 90 HG2 ARG 90 16.827 1.538 -10.214 742 HG3 ARG 90 HG3 ARG 90 17.756 1.035 -8.803 743 HD2 ARG 90 HD2 ARG 90 16.270 -0.752 -8.324 744 HD3 ARG 90 HD3 ARG 90 15.007 -0.094 -9.366 745 HE ARG 90 HE ARG 90 16.040 -1.188 -11.173 746 HH11 ARG 90 HH11 ARG 90 18.226 -0.721 -8.546 747 HH12 ARG 90 HH12 ARG 90 19.513 -1.611 -9.287 748 HH21 ARG 90 HH21 ARG 90 17.707 -2.353 -12.152 749 HH22 ARG 90 HH22 ARG 90 19.220 -2.536 -11.327 750 H GLY 91 H GLY 91 14.462 1.327 -4.719 751 HA2 GLY 91 HA2 GLY 91 13.599 2.867 -3.160 752 HA3 GLY 91 HA3 GLY 91 15.163 3.657 -3.352 753 H PHE 92 H PHE 92 12.334 3.278 -5.501 754 HA PHE 92 HA PHE 92 12.137 6.241 -5.722 755 HB2 PHE 92 HB2 PHE 92 13.264 5.619 -7.735 756 HB3 PHE 92 HB3 PHE 92 12.259 4.187 -7.941 757 HD1 PHE 92 HD1 PHE 92 12.174 7.924 -7.925 758 HD2 PHE 92 HD2 PHE 92 10.206 4.305 -9.149 759 HE1 PHE 92 HE1 PHE 92 10.573 9.249 -9.281 760 HE2 PHE 92 HE2 PHE 92 8.607 5.630 -10.502 761 HZ PHE 92 HZ PHE 92 8.788 8.101 -10.567 762 H GLY 93 H GLY 93 10.345 3.695 -7.408 763 HA2 GLY 93 HA2 GLY 93 7.829 4.727 -6.177 764 HA3 GLY 93 HA3 GLY 93 7.944 3.743 -7.637 765 H TYR 94 H TYR 94 6.512 2.149 -6.873 766 HA TYR 94 HA TYR 94 7.746 0.172 -5.054 767 HB2 TYR 94 HB2 TYR 94 5.202 1.689 -4.449 768 HB3 TYR 94 HB3 TYR 94 5.387 0.032 -3.876 769 HD1 TYR 94 HD1 TYR 94 6.671 3.481 -3.629 770 HD2 TYR 94 HD2 TYR 94 7.032 -0.543 -2.183 771 HE1 TYR 94 HE1 TYR 94 8.059 4.282 -1.743 772 HE2 TYR 94 HE2 TYR 94 8.417 0.254 -0.294 773 HH TYR 94 HH TYR 94 8.528 3.230 0.773 774 H MET 95 H MET 95 6.523 -1.904 -5.162 775 HA MET 95 HA MET 95 4.480 -2.188 -7.237 776 HB2 MET 95 HB2 MET 95 6.537 -1.956 -8.607 777 HB3 MET 95 HB3 MET 95 7.235 -3.334 -7.764 778 HG2 MET 95 HG2 MET 95 5.528 -4.812 -8.605 779 HG3 MET 95 HG3 MET 95 4.606 -3.459 -9.257 780 HE1 MET 95 HE1 MET 95 8.554 -5.223 -10.683 781 HE2 MET 95 HE2 MET 95 7.152 -6.241 -10.328 782 HE3 MET 95 HE3 MET 95 7.848 -5.225 -9.069 783 H LEU 96 H LEU 96 3.328 -4.009 -6.908 784 HA LEU 96 HA LEU 96 4.188 -5.849 -4.732 785 HB2 LEU 96 HB2 LEU 96 1.593 -5.234 -6.145 786 HB3 LEU 96 HB3 LEU 96 1.759 -6.775 -5.305 787 HG LEU 96 HG LEU 96 2.254 -5.641 -3.213 788 HD11 LEU 96 HD11 LEU 96 2.170 -3.137 -4.918 789 HD12 LEU 96 HD12 LEU 96 3.520 -3.731 -3.951 790 HD13 LEU 96 HD13 LEU 96 2.078 -3.110 -3.157 791 HD21 LEU 96 HD21 LEU 96 0.105 -4.583 -2.829 792 HD22 LEU 96 HD22 LEU 96 -0.136 -5.921 -3.952 793 HD23 LEU 96 HD23 LEU 96 -0.092 -4.263 -4.552 794 H ALA 97 H ALA 97 5.056 -7.807 -5.188 795 HA ALA 97 HA ALA 97 5.491 -8.632 -7.929 796 HB1 ALA 97 HB1 ALA 97 6.499 -10.650 -6.910 797 HB2 ALA 97 HB2 ALA 97 5.875 -10.160 -5.335 798 HB3 ALA 97 HB3 ALA 97 7.097 -9.178 -6.144 799 H ASN 98 H ASN 98 3.576 -9.100 -8.999 800 HA ASN 98 HA ASN 98 1.281 -10.344 -7.937 801 HB2 ASN 98 HB2 ASN 98 2.344 -10.718 -10.752 802 HB3 ASN 98 HB3 ASN 98 0.665 -10.854 -10.227 803 HD21 ASN 98 HD21 ASN 98 1.184 -9.013 -12.243 804 HD22 ASN 98 HD22 ASN 98 1.085 -7.432 -11.635 805 H ASN 99 H ASN 99 1.143 -12.306 -6.972 806 HA ASN 99 HA ASN 99 1.603 -14.546 -6.444 807 HB2 ASN 99 HB2 ASN 99 2.297 -14.771 -9.385 808 HB3 ASN 99 HB3 ASN 99 1.710 -16.050 -8.321 809 HD21 ASN 99 HD21 ASN 99 -0.542 -15.487 -7.265 810 HD22 ASN 99 HD22 ASN 99 -1.676 -14.745 -8.289 811 H ILE 100 H ILE 100 3.457 -14.406 -5.157 812 HA ILE 100 HA ILE 100 6.089 -13.942 -6.271 813 HB ILE 100 HB ILE 100 5.412 -15.195 -3.593 814 HG12 ILE 100 HG12 ILE 100 5.811 -12.255 -4.220 815 HG13 ILE 100 HG13 ILE 100 4.226 -12.999 -4.027 816 HG21 ILE 100 HG21 ILE 100 7.758 -15.392 -4.120 817 HG22 ILE 100 HG22 ILE 100 7.600 -14.068 -2.971 818 HG23 ILE 100 HG23 ILE 100 7.830 -13.725 -4.684 819 HD11 ILE 100 HD11 ILE 100 4.964 -11.961 -1.919 820 HD12 ILE 100 HD12 ILE 100 6.417 -12.961 -1.932 821 HD13 ILE 100 HD13 ILE 100 4.831 -13.710 -1.745 822 H ASP 101 H ASP 101 4.035 -16.576 -6.182 823 HA ASP 101 HA ASP 101 5.898 -18.313 -7.514 824 HB2 ASP 101 HB2 ASP 101 5.965 -20.081 -5.703 825 HB3 ASP 101 HB3 ASP 101 6.907 -18.633 -5.344 826 H THR 102 H THR 102 2.868 -17.749 -5.893 827 HA THR 102 HA THR 102 1.537 -20.197 -6.447 828 HB THR 102 HB THR 102 -0.550 -18.851 -6.324 829 HG1 THR 102 HG1 THR 102 -0.187 -16.952 -7.212 830 HG21 THR 102 HG21 THR 102 -0.132 -17.899 -4.058 831 HG22 THR 102 HG22 THR 102 1.597 -18.132 -4.310 832 HG23 THR 102 HG23 THR 102 0.520 -19.527 -4.241 833 H GLU 103 H GLU 103 -0.349 -20.272 -8.129 834 HA GLU 103 HA GLU 103 0.754 -20.278 -10.738 835 HB2 GLU 103 HB2 GLU 103 -1.274 -21.561 -10.035 836 HB3 GLU 103 HB3 GLU 103 -2.182 -20.048 -10.008 837 HG2 GLU 103 HG2 GLU 103 -1.780 -19.705 -12.381 838 HG3 GLU 103 HG3 GLU 103 -0.727 -21.119 -12.443 Start of MODEL 4 1 H1 ASN 1 H1 ASN 1 -20.141 -4.744 1.352 2 H2 ASN 1 H2 ASN 1 -21.103 -3.936 2.495 3 H3 ASN 1 H3 ASN 1 -19.988 -3.066 1.553 4 HA ASN 1 HA ASN 1 -21.365 -4.045 -0.422 5 HB2 ASN 1 HB2 ASN 1 -23.756 -4.182 0.199 6 HB3 ASN 1 HB3 ASN 1 -22.809 -5.410 1.038 7 HD21 ASN 1 HD21 ASN 1 -25.351 -3.595 1.711 8 HD22 ASN 1 HD22 ASN 1 -25.029 -3.121 3.309 9 H GLN 2 H GLN 2 -20.628 -1.693 1.772 10 HA GLN 2 HA GLN 2 -22.518 0.360 0.795 11 HB2 GLN 2 HB2 GLN 2 -20.153 0.500 2.690 12 HB3 GLN 2 HB3 GLN 2 -21.204 1.863 2.303 13 HG2 GLN 2 HG2 GLN 2 -23.124 0.747 3.239 14 HG3 GLN 2 HG3 GLN 2 -22.224 -0.759 3.424 15 HE21 GLN 2 HE21 GLN 2 -22.806 -0.564 5.796 16 HE22 GLN 2 HE22 GLN 2 -21.865 0.442 6.786 17 H GLY 3 H GLY 3 -21.174 -0.622 -1.365 18 HA2 GLY 3 HA2 GLY 3 -20.149 1.558 -2.717 19 HA3 GLY 3 HA3 GLY 3 -18.733 0.877 -1.914 20 H ASP 4 H ASP 4 -19.859 -1.876 -2.089 21 HA ASP 4 HA ASP 4 -19.575 -3.698 -3.544 22 HB2 ASP 4 HB2 ASP 4 -21.729 -2.774 -4.378 23 HB3 ASP 4 HB3 ASP 4 -20.835 -1.760 -5.510 24 H ASN 5 H ASN 5 -17.166 -2.922 -3.309 25 HA ASN 5 HA ASN 5 -16.013 -2.927 -6.016 26 HB2 ASN 5 HB2 ASN 5 -15.594 -0.636 -4.074 27 HB3 ASN 5 HB3 ASN 5 -14.520 -0.958 -5.437 28 HD21 ASN 5 HD21 ASN 5 -15.770 -1.175 -7.643 29 HD22 ASN 5 HD22 ASN 5 -17.039 -0.075 -7.892 30 H GLU 6 H GLU 6 -14.467 -4.466 -5.870 31 HA GLU 6 HA GLU 6 -12.487 -4.420 -3.722 32 HB2 GLU 6 HB2 GLU 6 -12.984 -6.687 -2.884 33 HB3 GLU 6 HB3 GLU 6 -14.348 -5.602 -2.607 34 HG2 GLU 6 HG2 GLU 6 -15.337 -6.448 -4.780 35 HG3 GLU 6 HG3 GLU 6 -14.068 -7.674 -4.798 36 H ILE 7 H ILE 7 -10.747 -5.956 -4.135 37 HA ILE 7 HA ILE 7 -10.812 -7.418 -6.720 38 HB ILE 7 HB ILE 7 -8.645 -6.354 -7.402 39 HG12 ILE 7 HG12 ILE 7 -9.318 -4.453 -5.129 40 HG13 ILE 7 HG13 ILE 7 -7.951 -5.567 -5.171 41 HG21 ILE 7 HG21 ILE 7 -9.659 -4.368 -8.312 42 HG22 ILE 7 HG22 ILE 7 -10.851 -4.312 -7.012 43 HG23 ILE 7 HG23 ILE 7 -10.924 -5.593 -8.223 44 HD11 ILE 7 HD11 ILE 7 -7.194 -4.399 -7.291 45 HD12 ILE 7 HD12 ILE 7 -7.111 -3.414 -5.832 46 HD13 ILE 7 HD13 ILE 7 -8.432 -3.184 -6.976 47 H SER 8 H SER 8 -8.867 -8.840 -6.926 48 HA SER 8 HA SER 8 -7.390 -9.348 -4.388 49 HB2 SER 8 HB2 SER 8 -9.432 -10.760 -4.291 50 HB3 SER 8 HB3 SER 8 -8.996 -11.474 -5.840 51 HG SER 8 HG SER 8 -7.543 -12.651 -4.870 52 H VAL 9 H VAL 9 -5.524 -10.675 -4.701 53 HA VAL 9 HA VAL 9 -4.761 -11.430 -7.446 54 HB VAL 9 HB VAL 9 -4.101 -9.091 -7.450 55 HG11 VAL 9 HG11 VAL 9 -2.265 -9.524 -5.088 56 HG12 VAL 9 HG12 VAL 9 -3.942 -9.050 -4.827 57 HG13 VAL 9 HG13 VAL 9 -2.869 -8.014 -5.763 58 HG21 VAL 9 HG21 VAL 9 -1.768 -9.351 -7.981 59 HG22 VAL 9 HG22 VAL 9 -2.566 -10.864 -8.407 60 HG23 VAL 9 HG23 VAL 9 -1.623 -10.753 -6.922 61 H GLY 10 H GLY 10 -4.376 -13.524 -6.852 62 HA2 GLY 10 HA2 GLY 10 -3.046 -15.285 -6.006 63 HA3 GLY 10 HA3 GLY 10 -1.998 -14.081 -5.251 64 H ASN 11 H ASN 11 -2.162 -13.845 -3.074 65 HA ASN 11 HA ASN 11 -4.518 -15.087 -1.671 66 HB2 ASN 11 HB2 ASN 11 -2.920 -15.199 0.287 67 HB3 ASN 11 HB3 ASN 11 -2.483 -16.222 -1.081 68 HD21 ASN 11 HD21 ASN 11 -1.060 -14.822 -2.798 69 HD22 ASN 11 HD22 ASN 11 0.222 -13.967 -2.085 70 H LEU 12 H LEU 12 -3.492 -12.113 -2.619 71 HA LEU 12 HA LEU 12 -4.115 -10.724 -0.050 72 HB2 LEU 12 HB2 LEU 12 -2.896 -9.869 -2.685 73 HB3 LEU 12 HB3 LEU 12 -3.492 -8.673 -1.537 74 HG LEU 12 HG LEU 12 -2.014 -9.671 0.209 75 HD11 LEU 12 HD11 LEU 12 -1.693 -11.911 -0.517 76 HD12 LEU 12 HD12 LEU 12 -0.124 -11.143 -0.735 77 HD13 LEU 12 HD13 LEU 12 -1.179 -11.405 -2.126 78 HD21 LEU 12 HD21 LEU 12 -1.220 -7.725 -0.987 79 HD22 LEU 12 HD22 LEU 12 -0.736 -8.711 -2.366 80 HD23 LEU 12 HD23 LEU 12 0.133 -8.846 -0.838 81 H ARG 13 H ARG 13 -6.147 -9.980 0.273 82 HA ARG 13 HA ARG 13 -7.932 -9.518 -2.110 83 HB2 ARG 13 HB2 ARG 13 -8.580 -10.557 0.652 84 HB3 ARG 13 HB3 ARG 13 -9.808 -10.006 -0.484 85 HG2 ARG 13 HG2 ARG 13 -9.105 -11.681 -2.112 86 HG3 ARG 13 HG3 ARG 13 -7.781 -12.185 -1.061 87 HD2 ARG 13 HD2 ARG 13 -9.329 -12.986 0.615 88 HD3 ARG 13 HD3 ARG 13 -10.701 -12.308 -0.261 89 HE ARG 13 HE ARG 13 -9.410 -14.090 -2.030 90 HH11 ARG 13 HH11 ARG 13 -11.021 -14.094 1.020 91 HH12 ARG 13 HH12 ARG 13 -11.618 -15.711 0.851 92 HH21 ARG 13 HH21 ARG 13 -10.182 -16.200 -2.267 93 HH22 ARG 13 HH22 ARG 13 -11.143 -16.903 -1.009 94 H LEU 14 H LEU 14 -8.559 -7.461 -2.352 95 HA LEU 14 HA LEU 14 -8.319 -5.571 -0.033 96 HB2 LEU 14 HB2 LEU 14 -6.850 -5.352 -2.177 97 HB3 LEU 14 HB3 LEU 14 -8.318 -4.789 -2.962 98 HG LEU 14 HG LEU 14 -7.384 -3.521 -0.371 99 HD11 LEU 14 HD11 LEU 14 -5.460 -3.394 -1.860 100 HD12 LEU 14 HD12 LEU 14 -6.220 -1.805 -1.749 101 HD13 LEU 14 HD13 LEU 14 -6.482 -2.812 -3.174 102 HD21 LEU 14 HD21 LEU 14 -9.613 -2.876 -1.083 103 HD22 LEU 14 HD22 LEU 14 -9.058 -2.585 -2.728 104 HD23 LEU 14 HD23 LEU 14 -8.536 -1.529 -1.420 105 H ASN 15 H ASN 15 -10.299 -5.094 0.772 106 HA ASN 15 HA ASN 15 -12.647 -4.915 -1.106 107 HB2 ASN 15 HB2 ASN 15 -12.478 -5.616 1.836 108 HB3 ASN 15 HB3 ASN 15 -13.997 -5.237 1.026 109 HD21 ASN 15 HD21 ASN 15 -11.728 -6.768 -1.059 110 HD22 ASN 15 HD22 ASN 15 -12.380 -8.333 -0.990 111 H VAL 16 H VAL 16 -12.679 -2.759 -1.634 112 HA VAL 16 HA VAL 16 -12.062 -0.646 0.265 113 HB VAL 16 HB VAL 16 -13.521 -0.462 -2.381 114 HG11 VAL 16 HG11 VAL 16 -12.545 1.852 -2.345 115 HG12 VAL 16 HG12 VAL 16 -11.983 1.543 -0.702 116 HG13 VAL 16 HG13 VAL 16 -13.711 1.566 -1.053 117 HG21 VAL 16 HG21 VAL 16 -10.553 -0.313 -1.759 118 HG22 VAL 16 HG22 VAL 16 -11.279 0.024 -3.331 119 HG23 VAL 16 HG23 VAL 16 -11.357 -1.603 -2.653 120 H THR 17 H THR 17 -14.934 -2.344 -0.755 121 HA THR 17 HA THR 17 -16.899 -0.474 0.083 122 HB THR 17 HB THR 17 -17.896 -2.215 -1.089 123 HG1 THR 17 HG1 THR 17 -19.166 -3.262 0.308 124 HG21 THR 17 HG21 THR 17 -17.246 -4.654 -0.613 125 HG22 THR 17 HG22 THR 17 -15.901 -3.999 0.319 126 HG23 THR 17 HG23 THR 17 -16.032 -3.651 -1.403 127 H ARG 18 H ARG 18 -15.530 -3.259 1.888 128 HA ARG 18 HA ARG 18 -16.664 -2.158 4.407 129 HB2 ARG 18 HB2 ARG 18 -15.048 -4.686 3.947 130 HB3 ARG 18 HB3 ARG 18 -15.933 -4.257 5.412 131 HG2 ARG 18 HG2 ARG 18 -18.027 -4.136 3.919 132 HG3 ARG 18 HG3 ARG 18 -17.057 -4.946 2.687 133 HD2 ARG 18 HD2 ARG 18 -17.518 -6.013 5.490 134 HD3 ARG 18 HD3 ARG 18 -18.402 -6.543 4.060 135 HE ARG 18 HE ARG 18 -15.663 -7.285 4.757 136 HH11 ARG 18 HH11 ARG 18 -17.992 -6.805 2.260 137 HH12 ARG 18 HH12 ARG 18 -17.234 -7.905 1.158 138 HH21 ARG 18 HH21 ARG 18 -14.662 -8.726 3.334 139 HH22 ARG 18 HH22 ARG 18 -15.349 -8.993 1.766 140 H ARG 19 H ARG 19 -13.820 -2.072 2.576 141 HA ARG 19 HA ARG 19 -11.748 -1.086 2.971 142 HB2 ARG 19 HB2 ARG 19 -13.367 0.544 4.273 143 HB3 ARG 19 HB3 ARG 19 -12.673 -0.195 5.710 144 HG2 ARG 19 HG2 ARG 19 -11.196 1.588 5.406 145 HG3 ARG 19 HG3 ARG 19 -10.360 0.332 4.498 146 HD2 ARG 19 HD2 ARG 19 -10.467 2.431 3.206 147 HD3 ARG 19 HD3 ARG 19 -11.397 1.167 2.405 148 HE ARG 19 HE ARG 19 -13.335 2.450 2.778 149 HH11 ARG 19 HH11 ARG 19 -10.750 3.383 4.862 150 HH12 ARG 19 HH12 ARG 19 -11.600 4.737 5.528 151 HH21 ARG 19 HH21 ARG 19 -14.458 4.214 3.638 152 HH22 ARG 19 HH22 ARG 19 -13.699 5.207 4.836 153 H LEU 20 H LEU 20 -11.337 -3.547 3.194 154 HA LEU 20 HA LEU 20 -9.847 -4.008 5.709 155 HB2 LEU 20 HB2 LEU 20 -11.897 -5.903 4.530 156 HB3 LEU 20 HB3 LEU 20 -10.725 -6.376 5.754 157 HG LEU 20 HG LEU 20 -12.757 -4.147 6.102 158 HD11 LEU 20 HD11 LEU 20 -13.911 -6.272 5.907 159 HD12 LEU 20 HD12 LEU 20 -13.903 -5.787 7.603 160 HD13 LEU 20 HD13 LEU 20 -12.787 -7.028 7.035 161 HD21 LEU 20 HD21 LEU 20 -10.645 -5.381 7.881 162 HD22 LEU 20 HD22 LEU 20 -12.113 -4.723 8.604 163 HD23 LEU 20 HD23 LEU 20 -11.056 -3.682 7.662 164 H VAL 21 H VAL 21 -8.193 -5.708 5.436 165 HA VAL 21 HA VAL 21 -7.628 -6.491 2.610 166 HB VAL 21 HB VAL 21 -5.528 -5.283 4.427 167 HG11 VAL 21 HG11 VAL 21 -4.193 -5.196 2.424 168 HG12 VAL 21 HG12 VAL 21 -5.573 -5.632 1.416 169 HG13 VAL 21 HG13 VAL 21 -4.875 -6.820 2.517 170 HG21 VAL 21 HG21 VAL 21 -7.050 -3.494 4.040 171 HG22 VAL 21 HG22 VAL 21 -7.306 -3.967 2.360 172 HG23 VAL 21 HG23 VAL 21 -5.762 -3.275 2.859 173 H TRP 22 H TRP 22 -7.270 -8.670 2.641 174 HA TRP 22 HA TRP 22 -6.298 -9.950 5.165 175 HB2 TRP 22 HB2 TRP 22 -7.489 -11.135 2.641 176 HB3 TRP 22 HB3 TRP 22 -6.942 -12.073 4.025 177 HD1 TRP 22 HD1 TRP 22 -8.546 -12.325 6.013 178 HE1 TRP 22 HE1 TRP 22 -10.894 -11.416 6.571 179 HE3 TRP 22 HE3 TRP 22 -9.083 -8.910 2.257 180 HZ2 TRP 22 HZ2 TRP 22 -12.754 -9.495 5.556 181 HZ3 TRP 22 HZ3 TRP 22 -11.146 -7.558 2.076 182 HH2 TRP 22 HH2 TRP 22 -12.984 -7.845 3.717 183 H LEU 23 H LEU 23 -4.476 -11.334 5.096 184 HA LEU 23 HA LEU 23 -2.757 -11.246 2.648 185 HB2 LEU 23 HB2 LEU 23 -2.074 -9.474 4.328 186 HB3 LEU 23 HB3 LEU 23 -1.775 -10.770 5.479 187 HG LEU 23 HG LEU 23 -0.187 -11.785 3.805 188 HD11 LEU 23 HD11 LEU 23 -0.642 -10.908 1.694 189 HD12 LEU 23 HD12 LEU 23 0.692 -9.866 2.165 190 HD13 LEU 23 HD13 LEU 23 -0.961 -9.285 2.303 191 HD21 LEU 23 HD21 LEU 23 0.553 -10.394 5.737 192 HD22 LEU 23 HD22 LEU 23 0.463 -8.959 4.716 193 HD23 LEU 23 HD23 LEU 23 1.633 -10.227 4.353 194 H GLY 24 H GLY 24 -2.764 -13.441 2.168 195 HA2 GLY 24 HA2 GLY 24 -2.253 -15.727 2.494 196 HA3 GLY 24 HA3 GLY 24 -1.467 -15.267 4.010 197 H GLU 25 H GLU 25 -4.778 -14.724 2.958 198 HA GLU 25 HA GLU 25 -6.836 -15.335 3.875 199 HB2 GLU 25 HB2 GLU 25 -5.407 -17.605 5.275 200 HB3 GLU 25 HB3 GLU 25 -7.091 -17.520 4.777 201 HG2 GLU 25 HG2 GLU 25 -6.284 -17.351 2.384 202 HG3 GLU 25 HG3 GLU 25 -4.664 -17.715 2.978 203 H THR 26 H THR 26 -4.262 -14.228 5.681 204 HA THR 26 HA THR 26 -5.785 -14.270 8.271 205 HB THR 26 HB THR 26 -3.734 -13.464 9.304 206 HG1 THR 26 HG1 THR 26 -3.200 -12.712 6.820 207 HG21 THR 26 HG21 THR 26 -4.067 -15.940 8.743 208 HG22 THR 26 HG22 THR 26 -2.409 -15.428 9.058 209 HG23 THR 26 HG23 THR 26 -2.953 -15.677 7.401 210 H ALA 27 H ALA 27 -6.592 -12.385 9.152 211 HA ALA 27 HA ALA 27 -7.090 -10.169 7.404 212 HB1 ALA 27 HB1 ALA 27 -8.133 -9.123 9.321 213 HB2 ALA 27 HB2 ALA 27 -7.278 -10.197 10.427 214 HB3 ALA 27 HB3 ALA 27 -8.523 -10.842 9.358 215 H LEU 28 H LEU 28 -5.583 -8.714 6.782 216 HA LEU 28 HA LEU 28 -3.152 -8.254 8.334 217 HB2 LEU 28 HB2 LEU 28 -3.413 -8.222 5.767 218 HB3 LEU 28 HB3 LEU 28 -4.131 -6.633 5.970 219 HG LEU 28 HG LEU 28 -2.054 -5.899 7.169 220 HD11 LEU 28 HD11 LEU 28 -1.251 -8.739 6.566 221 HD12 LEU 28 HD12 LEU 28 -0.917 -7.762 7.995 222 HD13 LEU 28 HD13 LEU 28 -0.008 -7.489 6.517 223 HD21 LEU 28 HD21 LEU 28 -2.272 -5.311 4.852 224 HD22 LEU 28 HD22 LEU 28 -1.865 -6.946 4.329 225 HD23 LEU 28 HD23 LEU 28 -0.629 -5.917 5.047 226 H ASP 29 H ASP 29 -2.849 -6.600 9.798 227 HA ASP 29 HA ASP 29 -5.130 -4.712 10.250 228 HB2 ASP 29 HB2 ASP 29 -2.780 -5.399 12.040 229 HB3 ASP 29 HB3 ASP 29 -4.172 -4.406 12.477 230 H LEU 30 H LEU 30 -4.832 -2.788 9.228 231 HA LEU 30 HA LEU 30 -2.211 -1.402 9.548 232 HB2 LEU 30 HB2 LEU 30 -2.095 -0.782 7.237 233 HB3 LEU 30 HB3 LEU 30 -2.331 -2.522 7.276 234 HG LEU 30 HG LEU 30 -4.468 -0.429 6.735 235 HD11 LEU 30 HD11 LEU 30 -4.474 -1.340 4.495 236 HD12 LEU 30 HD12 LEU 30 -3.330 -2.601 4.957 237 HD13 LEU 30 HD13 LEU 30 -2.814 -0.915 4.912 238 HD21 LEU 30 HD21 LEU 30 -5.658 -2.155 7.823 239 HD22 LEU 30 HD22 LEU 30 -4.607 -3.419 7.187 240 HD23 LEU 30 HD23 LEU 30 -5.777 -2.625 6.134 241 H THR 31 H THR 31 -2.399 0.884 9.610 242 HA THR 31 HA THR 31 -4.821 1.884 10.723 243 HB THR 31 HB THR 31 -3.713 4.182 10.110 244 HG1 THR 31 HG1 THR 31 -1.455 2.585 9.698 245 HG21 THR 31 HG21 THR 31 -3.543 3.163 12.340 246 HG22 THR 31 HG22 THR 31 -1.999 3.876 11.873 247 HG23 THR 31 HG23 THR 31 -2.229 2.131 11.779 248 HA PRO 32 HA PRO 32 -7.399 2.610 7.190 249 HB2 PRO 32 HB2 PRO 32 -8.487 5.119 7.773 250 HB3 PRO 32 HB3 PRO 32 -9.052 3.590 8.478 251 HG2 PRO 32 HG2 PRO 32 -7.161 5.611 9.623 252 HG3 PRO 32 HG3 PRO 32 -8.482 4.730 10.418 253 HD2 PRO 32 HD2 PRO 32 -5.933 3.959 10.759 254 HD3 PRO 32 HD3 PRO 32 -7.224 2.748 10.600 255 H LYS 33 H LYS 33 -5.400 5.440 8.102 256 HA LYS 33 HA LYS 33 -5.462 6.806 5.638 257 HB2 LYS 33 HB2 LYS 33 -3.217 6.490 7.651 258 HB3 LYS 33 HB3 LYS 33 -3.157 7.614 6.294 259 HG2 LYS 33 HG2 LYS 33 -5.032 8.857 7.122 260 HG3 LYS 33 HG3 LYS 33 -5.415 7.615 8.312 261 HD2 LYS 33 HD2 LYS 33 -4.294 9.472 9.428 262 HD3 LYS 33 HD3 LYS 33 -3.234 8.063 9.436 263 HE2 LYS 33 HE2 LYS 33 -1.847 8.954 7.730 264 HE3 LYS 33 HE3 LYS 33 -3.052 10.153 7.256 265 HZ1 LYS 33 HZ1 LYS 33 -2.531 10.561 9.946 266 HZ2 LYS 33 HZ2 LYS 33 -2.087 11.556 8.645 267 HZ3 LYS 33 HZ3 LYS 33 -1.018 10.358 9.200 268 H GLU 34 H GLU 34 -3.301 4.172 6.692 269 HA GLU 34 HA GLU 34 -1.750 4.036 4.307 270 HB2 GLU 34 HB2 GLU 34 -2.516 1.808 6.222 271 HB3 GLU 34 HB3 GLU 34 -1.208 1.734 5.040 272 HG2 GLU 34 HG2 GLU 34 0.007 3.484 6.143 273 HG3 GLU 34 HG3 GLU 34 -1.363 3.869 7.183 274 H TYR 35 H TYR 35 -4.895 2.659 5.159 275 HA TYR 35 HA TYR 35 -5.191 0.836 3.016 276 HB2 TYR 35 HB2 TYR 35 -6.790 1.250 4.986 277 HB3 TYR 35 HB3 TYR 35 -7.428 2.602 4.054 278 HD1 TYR 35 HD1 TYR 35 -8.237 2.116 1.630 279 HD2 TYR 35 HD2 TYR 35 -7.588 -0.949 4.578 280 HE1 TYR 35 HE1 TYR 35 -9.662 0.557 0.331 281 HE2 TYR 35 HE2 TYR 35 -9.027 -2.496 3.273 282 HH TYR 35 HH TYR 35 -10.308 -1.586 0.110 283 H ALA 36 H ALA 36 -5.511 4.355 3.115 284 HA ALA 36 HA ALA 36 -6.671 4.635 0.487 285 HB1 ALA 36 HB1 ALA 36 -4.961 6.585 2.065 286 HB2 ALA 36 HB2 ALA 36 -6.719 6.466 2.145 287 HB3 ALA 36 HB3 ALA 36 -5.936 6.991 0.654 288 H LEU 37 H LEU 37 -3.305 5.038 1.647 289 HA LEU 37 HA LEU 37 -2.162 5.393 -0.949 290 HB2 LEU 37 HB2 LEU 37 -1.008 4.317 1.638 291 HB3 LEU 37 HB3 LEU 37 -0.041 4.517 0.181 292 HG LEU 37 HG LEU 37 -0.712 6.931 0.131 293 HD11 LEU 37 HD11 LEU 37 -1.536 7.790 2.439 294 HD12 LEU 37 HD12 LEU 37 -2.053 6.130 2.722 295 HD13 LEU 37 HD13 LEU 37 -2.724 7.045 1.375 296 HD21 LEU 37 HD21 LEU 37 0.854 7.603 1.854 297 HD22 LEU 37 HD22 LEU 37 1.423 6.076 1.180 298 HD23 LEU 37 HD23 LEU 37 0.597 6.100 2.738 299 H LEU 38 H LEU 38 -2.862 2.525 0.989 300 HA LEU 38 HA LEU 38 -1.639 0.582 -0.678 301 HB2 LEU 38 HB2 LEU 38 -2.632 0.227 1.640 302 HB3 LEU 38 HB3 LEU 38 -4.212 0.206 0.866 303 HG LEU 38 HG LEU 38 -3.175 -1.643 -0.686 304 HD11 LEU 38 HD11 LEU 38 -1.472 -3.026 0.578 305 HD12 LEU 38 HD12 LEU 38 -1.264 -1.664 1.675 306 HD13 LEU 38 HD13 LEU 38 -0.849 -1.496 -0.029 307 HD21 LEU 38 HD21 LEU 38 -3.733 -2.213 2.242 308 HD22 LEU 38 HD22 LEU 38 -3.818 -3.388 0.930 309 HD23 LEU 38 HD23 LEU 38 -4.956 -2.043 0.982 310 H SER 39 H SER 39 -4.927 1.953 -0.770 311 HA SER 39 HA SER 39 -6.019 0.370 -2.819 312 HB2 SER 39 HB2 SER 39 -7.283 2.098 -1.549 313 HB3 SER 39 HB3 SER 39 -6.417 3.352 -2.432 314 HG SER 39 HG SER 39 -8.000 1.300 -3.601 315 H ARG 40 H ARG 40 -3.768 3.073 -3.025 316 HA ARG 40 HA ARG 40 -3.873 3.172 -5.963 317 HB2 ARG 40 HB2 ARG 40 -2.245 4.527 -3.814 318 HB3 ARG 40 HB3 ARG 40 -1.704 4.613 -5.489 319 HG2 ARG 40 HG2 ARG 40 -3.141 6.551 -4.822 320 HG3 ARG 40 HG3 ARG 40 -3.802 5.633 -6.174 321 HD2 ARG 40 HD2 ARG 40 -4.641 4.953 -3.359 322 HD3 ARG 40 HD3 ARG 40 -5.393 6.306 -4.197 323 HE ARG 40 HE ARG 40 -5.858 3.500 -4.755 324 HH11 ARG 40 HH11 ARG 40 -5.634 6.677 -6.079 325 HH12 ARG 40 HH12 ARG 40 -6.696 6.342 -7.405 326 HH21 ARG 40 HH21 ARG 40 -7.245 3.046 -6.481 327 HH22 ARG 40 HH22 ARG 40 -7.608 4.287 -7.634 328 H LEU 41 H LEU 41 -1.566 1.947 -3.513 329 HA LEU 41 HA LEU 41 0.399 1.025 -5.329 330 HB2 LEU 41 HB2 LEU 41 -0.470 -0.034 -2.635 331 HB3 LEU 41 HB3 LEU 41 0.901 -0.702 -3.509 332 HG LEU 41 HG LEU 41 0.685 2.257 -2.898 333 HD11 LEU 41 HD11 LEU 41 0.621 1.244 -0.735 334 HD12 LEU 41 HD12 LEU 41 2.300 1.714 -0.991 335 HD13 LEU 41 HD13 LEU 41 1.816 0.029 -1.188 336 HD21 LEU 41 HD21 LEU 41 3.267 1.940 -3.014 337 HD22 LEU 41 HD22 LEU 41 2.379 1.887 -4.531 338 HD23 LEU 41 HD23 LEU 41 2.912 0.391 -3.770 339 H MET 42 H MET 42 -2.576 -0.549 -4.186 340 HA MET 42 HA MET 42 -2.055 -2.998 -5.661 341 HB2 MET 42 HB2 MET 42 -3.545 -2.786 -3.614 342 HB3 MET 42 HB3 MET 42 -4.732 -2.007 -4.657 343 HG2 MET 42 HG2 MET 42 -5.312 -4.335 -4.584 344 HG3 MET 42 HG3 MET 42 -4.586 -4.048 -6.164 345 HE1 MET 42 HE1 MET 42 -3.621 -4.870 -2.447 346 HE2 MET 42 HE2 MET 42 -3.043 -6.526 -2.676 347 HE3 MET 42 HE3 MET 42 -4.698 -6.099 -3.105 348 H MET 43 H MET 43 -3.833 -0.018 -6.274 349 HA MET 43 HA MET 43 -5.321 -0.771 -8.538 350 HB2 MET 43 HB2 MET 43 -5.442 1.464 -7.429 351 HB3 MET 43 HB3 MET 43 -3.878 1.868 -8.138 352 HG2 MET 43 HG2 MET 43 -4.780 1.631 -10.385 353 HG3 MET 43 HG3 MET 43 -6.324 1.069 -9.742 354 HE1 MET 43 HE1 MET 43 -6.737 4.698 -11.321 355 HE2 MET 43 HE2 MET 43 -6.762 2.960 -11.650 356 HE3 MET 43 HE3 MET 43 -5.232 3.836 -11.634 357 H LYS 44 H LYS 44 -1.903 -0.273 -8.160 358 HA LYS 44 HA LYS 44 -1.477 -0.917 -11.069 359 HB2 LYS 44 HB2 LYS 44 -0.145 1.128 -9.285 360 HB3 LYS 44 HB3 LYS 44 0.662 0.514 -10.728 361 HG2 LYS 44 HG2 LYS 44 -1.301 1.219 -12.088 362 HG3 LYS 44 HG3 LYS 44 -2.037 1.896 -10.636 363 HD2 LYS 44 HD2 LYS 44 -0.138 3.429 -10.364 364 HD3 LYS 44 HD3 LYS 44 0.645 2.730 -11.783 365 HE2 LYS 44 HE2 LYS 44 -1.299 3.424 -13.168 366 HE3 LYS 44 HE3 LYS 44 -2.017 4.183 -11.747 367 HZ1 LYS 44 HZ1 LYS 44 0.361 4.977 -13.276 368 HZ2 LYS 44 HZ2 LYS 44 0.276 5.366 -11.627 369 HZ3 LYS 44 HZ3 LYS 44 -0.917 5.934 -12.696 370 H ALA 45 H ALA 45 -1.596 -2.889 -9.031 371 HA ALA 45 HA ALA 45 0.997 -3.501 -7.961 372 HB1 ALA 45 HB1 ALA 45 -0.015 -5.862 -7.770 373 HB2 ALA 45 HB2 ALA 45 -1.482 -5.156 -8.449 374 HB3 ALA 45 HB3 ALA 45 -0.850 -4.569 -6.914 375 H GLY 46 H GLY 46 2.616 -4.841 -8.769 376 HA2 GLY 46 HA2 GLY 46 3.520 -6.474 -10.332 377 HA3 GLY 46 HA3 GLY 46 2.271 -6.032 -11.493 378 H SER 47 H SER 47 2.840 -3.106 -10.783 379 HA SER 47 HA SER 47 5.387 -2.792 -12.362 380 HB2 SER 47 HB2 SER 47 3.851 -1.992 -13.914 381 HB3 SER 47 HB3 SER 47 2.667 -1.589 -12.676 382 HG SER 47 HG SER 47 4.136 0.095 -13.891 383 HA PRO 48 HA PRO 48 6.722 -0.257 -8.974 384 HB2 PRO 48 HB2 PRO 48 8.315 1.604 -10.223 385 HB3 PRO 48 HB3 PRO 48 8.794 -0.096 -10.030 386 HG2 PRO 48 HG2 PRO 48 7.577 1.256 -12.413 387 HG3 PRO 48 HG3 PRO 48 8.945 0.127 -12.343 388 HD2 PRO 48 HD2 PRO 48 6.462 -0.710 -13.051 389 HD3 PRO 48 HD3 PRO 48 7.556 -1.751 -12.113 390 H VAL 49 H VAL 49 5.390 1.144 -7.917 391 HA VAL 49 HA VAL 49 3.866 3.163 -9.439 392 HB VAL 49 HB VAL 49 3.733 2.342 -6.529 393 HG11 VAL 49 HG11 VAL 49 2.048 4.205 -8.224 394 HG12 VAL 49 HG12 VAL 49 2.901 4.587 -6.728 395 HG13 VAL 49 HG13 VAL 49 1.488 3.534 -6.692 396 HG21 VAL 49 HG21 VAL 49 1.538 1.323 -7.367 397 HG22 VAL 49 HG22 VAL 49 3.011 0.510 -7.888 398 HG23 VAL 49 HG23 VAL 49 2.152 1.577 -8.998 399 H HIS 50 H HIS 50 4.207 5.346 -9.278 400 HA HIS 50 HA HIS 50 6.699 6.295 -8.182 401 HB2 HIS 50 HB2 HIS 50 5.300 7.275 -10.137 402 HB3 HIS 50 HB3 HIS 50 4.332 8.053 -8.889 403 HD1 HIS 50 HD1 HIS 50 5.749 9.984 -10.627 404 HD2 HIS 50 HD2 HIS 50 7.654 8.277 -7.331 405 HE1 HIS 50 HE1 HIS 50 7.669 11.526 -10.027 406 HE2 HIS 50 HE2 HIS 50 8.834 10.497 -8.023 407 H ARG 51 H ARG 51 7.066 6.710 -6.058 408 HA ARG 51 HA ARG 51 5.215 6.439 -3.982 409 HB2 ARG 51 HB2 ARG 51 6.821 7.832 -2.612 410 HB3 ARG 51 HB3 ARG 51 7.561 6.472 -3.456 411 HG2 ARG 51 HG2 ARG 51 8.468 7.889 -5.152 412 HG3 ARG 51 HG3 ARG 51 7.487 9.260 -4.638 413 HD2 ARG 51 HD2 ARG 51 9.562 7.958 -2.860 414 HD3 ARG 51 HD3 ARG 51 9.914 9.339 -3.899 415 HE ARG 51 HE ARG 51 7.630 9.992 -2.347 416 HH11 ARG 51 HH11 ARG 51 10.988 9.277 -2.021 417 HH12 ARG 51 HH12 ARG 51 11.197 10.262 -0.612 418 HH21 ARG 51 HH21 ARG 51 7.884 11.280 -0.508 419 HH22 ARG 51 HH22 ARG 51 9.440 11.396 0.245 420 H GLU 52 H GLU 52 5.524 9.019 -6.213 421 HA GLU 52 HA GLU 52 4.500 11.162 -4.604 422 HB2 GLU 52 HB2 GLU 52 4.434 10.660 -7.592 423 HB3 GLU 52 HB3 GLU 52 3.851 12.151 -6.851 424 HG2 GLU 52 HG2 GLU 52 6.100 12.446 -5.790 425 HG3 GLU 52 HG3 GLU 52 6.665 11.033 -6.684 426 H ILE 53 H ILE 53 2.842 8.880 -6.831 427 HA ILE 53 HA ILE 53 0.227 9.878 -6.526 428 HB ILE 53 HB ILE 53 1.103 6.990 -6.819 429 HG12 ILE 53 HG12 ILE 53 0.256 8.959 -8.965 430 HG13 ILE 53 HG13 ILE 53 1.944 8.673 -8.541 431 HG21 ILE 53 HG21 ILE 53 -1.216 7.048 -6.184 432 HG22 ILE 53 HG22 ILE 53 -1.174 6.804 -7.929 433 HG23 ILE 53 HG23 ILE 53 -1.541 8.399 -7.272 434 HD11 ILE 53 HD11 ILE 53 1.078 7.296 -10.491 435 HD12 ILE 53 HD12 ILE 53 0.050 6.449 -9.335 436 HD13 ILE 53 HD13 ILE 53 1.805 6.366 -9.182 437 H LEU 54 H LEU 54 2.144 7.889 -4.346 438 HA LEU 54 HA LEU 54 -0.068 7.131 -2.642 439 HB2 LEU 54 HB2 LEU 54 2.807 7.376 -1.733 440 HB3 LEU 54 HB3 LEU 54 1.574 6.246 -1.175 441 HG LEU 54 HG LEU 54 2.874 6.272 -3.914 442 HD11 LEU 54 HD11 LEU 54 4.203 5.378 -1.945 443 HD12 LEU 54 HD12 LEU 54 3.912 4.213 -3.236 444 HD13 LEU 54 HD13 LEU 54 2.953 4.149 -1.756 445 HD21 LEU 54 HD21 LEU 54 0.619 5.559 -4.245 446 HD22 LEU 54 HD22 LEU 54 0.615 4.626 -2.748 447 HD23 LEU 54 HD23 LEU 54 1.563 4.078 -4.131 448 H TYR 55 H TYR 55 2.137 9.875 -2.751 449 HA TYR 55 HA TYR 55 1.304 10.958 -0.186 450 HB2 TYR 55 HB2 TYR 55 2.849 11.976 -2.565 451 HB3 TYR 55 HB3 TYR 55 2.232 13.158 -1.414 452 HD1 TYR 55 HD1 TYR 55 3.406 9.689 -0.619 453 HD2 TYR 55 HD2 TYR 55 4.259 13.899 -0.400 454 HE1 TYR 55 HE1 TYR 55 5.308 9.227 0.894 455 HE2 TYR 55 HE2 TYR 55 6.164 13.427 1.114 456 HH TYR 55 HH TYR 55 7.669 11.556 1.646 457 H ASN 56 H ASN 56 0.259 11.255 -3.521 458 HA ASN 56 HA ASN 56 -1.548 13.420 -3.267 459 HB2 ASN 56 HB2 ASN 56 -1.619 10.986 -5.069 460 HB3 ASN 56 HB3 ASN 56 -2.705 12.365 -5.244 461 HD21 ASN 56 HD21 ASN 56 0.679 11.330 -5.552 462 HD22 ASN 56 HD22 ASN 56 1.203 12.700 -6.405 463 H ASP 57 H ASP 57 -1.758 10.179 -2.082 464 HA ASP 57 HA ASP 57 -4.591 9.887 -1.993 465 HB2 ASP 57 HB2 ASP 57 -2.404 8.774 -0.229 466 HB3 ASP 57 HB3 ASP 57 -4.097 8.309 -0.072 467 H ILE 58 H ILE 58 -2.354 10.993 0.546 468 HA ILE 58 HA ILE 58 -4.626 12.514 1.808 469 HB ILE 58 HB ILE 58 -2.304 11.363 3.367 470 HG12 ILE 58 HG12 ILE 58 -4.856 9.943 2.548 471 HG13 ILE 58 HG13 ILE 58 -3.205 9.456 2.171 472 HG21 ILE 58 HG21 ILE 58 -3.992 13.061 4.322 473 HG22 ILE 58 HG22 ILE 58 -3.783 11.573 5.238 474 HG23 ILE 58 HG23 ILE 58 -5.192 11.777 4.199 475 HD11 ILE 58 HD11 ILE 58 -4.566 9.447 4.869 476 HD12 ILE 58 HD12 ILE 58 -2.816 9.322 4.697 477 HD13 ILE 58 HD13 ILE 58 -3.860 8.082 4.003 478 H TYR 59 H TYR 59 -2.167 13.120 -0.049 479 HA TYR 59 HA TYR 59 -1.563 15.703 1.238 480 HB2 TYR 59 HB2 TYR 59 0.686 13.770 0.588 481 HB3 TYR 59 HB3 TYR 59 0.861 15.408 1.214 482 HD1 TYR 59 HD1 TYR 59 -0.209 15.967 3.476 483 HD2 TYR 59 HD2 TYR 59 0.370 11.943 2.084 484 HE1 TYR 59 HE1 TYR 59 -0.434 15.130 5.799 485 HE2 TYR 59 HE2 TYR 59 0.146 11.108 4.408 486 HH TYR 59 HH TYR 59 -0.725 13.278 7.064 487 H SER 60 H SER 60 -2.373 16.757 -0.573 488 HA SER 60 HA SER 60 -1.397 16.016 -3.272 489 HB2 SER 60 HB2 SER 60 -3.720 16.595 -3.183 490 HB3 SER 60 HB3 SER 60 -3.392 18.051 -2.249 491 HG SER 60 HG SER 60 -3.604 18.738 -4.313 492 H TRP 61 H TRP 61 -0.653 18.231 -0.733 493 HA TRP 61 HA TRP 61 0.391 20.444 -2.128 494 HB2 TRP 61 HB2 TRP 61 1.446 19.120 0.390 495 HB3 TRP 61 HB3 TRP 61 1.910 20.727 -0.170 496 HD1 TRP 61 HD1 TRP 61 -0.547 19.045 1.967 497 HE1 TRP 61 HE1 TRP 61 -2.495 20.626 2.558 498 HE3 TRP 61 HE3 TRP 61 0.297 22.783 -1.408 499 HZ2 TRP 61 HZ2 TRP 61 -3.555 23.144 1.711 500 HZ3 TRP 61 HZ3 TRP 61 -1.197 24.760 -1.494 501 HH2 TRP 61 HH2 TRP 61 -3.119 24.945 0.059 502 H ASP 62 H ASP 62 1.653 17.199 -1.816 503 HA ASP 62 HA ASP 62 3.577 16.196 -2.711 504 HB2 ASP 62 HB2 ASP 62 2.414 17.066 -4.785 505 HB3 ASP 62 HB3 ASP 62 3.460 18.483 -4.694 506 H ASN 63 H ASN 63 3.722 18.846 -0.958 507 HA ASN 63 HA ASN 63 6.100 20.224 -1.565 508 HB2 ASN 63 HB2 ASN 63 6.268 20.587 0.935 509 HB3 ASN 63 HB3 ASN 63 4.702 21.003 0.239 510 HD21 ASN 63 HD21 ASN 63 4.684 20.434 2.941 511 HD22 ASN 63 HD22 ASN 63 4.003 18.907 3.229 512 H GLU 64 H GLU 64 5.660 17.164 0.169 513 HA GLU 64 HA GLU 64 7.221 15.531 0.810 514 HB2 GLU 64 HB2 GLU 64 7.412 15.519 -1.715 515 HB3 GLU 64 HB3 GLU 64 8.801 16.595 -1.546 516 HG2 GLU 64 HG2 GLU 64 9.939 14.920 -0.141 517 HG3 GLU 64 HG3 GLU 64 8.552 13.841 -0.300 518 HA PRO 65 HA PRO 65 9.647 18.950 2.990 519 HB2 PRO 65 HB2 PRO 65 9.185 16.828 5.083 520 HB3 PRO 65 HB3 PRO 65 9.161 18.597 5.256 521 HG2 PRO 65 HG2 PRO 65 6.887 17.251 5.147 522 HG3 PRO 65 HG3 PRO 65 7.055 18.790 4.277 523 HD2 PRO 65 HD2 PRO 65 7.068 15.994 3.170 524 HD3 PRO 65 HD3 PRO 65 6.422 17.485 2.448 525 H ALA 66 H ALA 66 11.861 18.895 2.892 526 HA ALA 66 HA ALA 66 13.277 16.506 2.152 527 HB1 ALA 66 HB1 ALA 66 14.315 19.136 3.254 528 HB2 ALA 66 HB2 ALA 66 14.112 18.732 1.550 529 HB3 ALA 66 HB3 ALA 66 15.315 17.883 2.520 530 H THR 67 H THR 67 12.524 17.986 5.237 531 HA THR 67 HA THR 67 14.503 16.533 6.772 532 HB THR 67 HB THR 67 13.267 17.297 8.719 533 HG1 THR 67 HG1 THR 67 11.200 16.865 7.342 534 HG21 THR 67 HG21 THR 67 13.157 19.714 8.236 535 HG22 THR 67 HG22 THR 67 13.192 19.368 6.507 536 HG23 THR 67 HG23 THR 67 14.591 18.986 7.511 537 H ASN 68 H ASN 68 14.284 14.559 7.845 538 HA ASN 68 HA ASN 68 12.565 12.585 6.742 539 HB2 ASN 68 HB2 ASN 68 13.775 12.518 9.520 540 HB3 ASN 68 HB3 ASN 68 13.340 11.139 8.510 541 HD21 ASN 68 HD21 ASN 68 16.057 12.017 9.598 542 HD22 ASN 68 HD22 ASN 68 17.053 12.112 8.226 543 H THR 69 H THR 69 10.441 12.154 7.117 544 HA THR 69 HA THR 69 9.198 12.580 9.705 545 HB THR 69 HB THR 69 8.232 14.342 7.439 546 HG1 THR 69 HG1 THR 69 9.973 14.829 9.600 547 HG21 THR 69 HG21 THR 69 6.557 13.660 9.135 548 HG22 THR 69 HG22 THR 69 6.896 15.389 9.206 549 HG23 THR 69 HG23 THR 69 7.600 14.302 10.402 550 H LEU 70 H LEU 70 7.867 12.859 6.419 551 HA LEU 70 HA LEU 70 5.837 10.875 6.954 552 HB2 LEU 70 HB2 LEU 70 6.746 11.798 4.215 553 HB3 LEU 70 HB3 LEU 70 5.153 11.203 4.684 554 HG LEU 70 HG LEU 70 6.434 13.783 5.645 555 HD11 LEU 70 HD11 LEU 70 4.483 14.778 4.358 556 HD12 LEU 70 HD12 LEU 70 4.225 13.177 3.663 557 HD13 LEU 70 HD13 LEU 70 5.736 14.035 3.364 558 HD21 LEU 70 HD21 LEU 70 4.016 14.140 6.505 559 HD22 LEU 70 HD22 LEU 70 5.033 13.027 7.416 560 HD23 LEU 70 HD23 LEU 70 3.818 12.399 6.301 561 H GLU 71 H GLU 71 8.989 10.788 5.303 562 HA GLU 71 HA GLU 71 8.744 8.180 4.194 563 HB2 GLU 71 HB2 GLU 71 11.270 9.452 5.284 564 HB3 GLU 71 HB3 GLU 71 11.165 8.190 4.055 565 HG2 GLU 71 HG2 GLU 71 9.900 9.768 2.595 566 HG3 GLU 71 HG3 GLU 71 10.137 11.031 3.803 567 H VAL 72 H VAL 72 9.529 9.267 7.450 568 HA VAL 72 HA VAL 72 10.421 6.680 8.384 569 HB VAL 72 HB VAL 72 9.207 8.911 10.017 570 HG11 VAL 72 HG11 VAL 72 10.733 7.962 11.772 571 HG12 VAL 72 HG12 VAL 72 11.120 6.649 10.658 572 HG13 VAL 72 HG13 VAL 72 9.473 6.841 11.258 573 HG21 VAL 72 HG21 VAL 72 11.022 9.788 8.602 574 HG22 VAL 72 HG22 VAL 72 12.085 8.493 9.151 575 HG23 VAL 72 HG23 VAL 72 11.535 9.723 10.288 576 H HIS 73 H HIS 73 7.309 8.363 8.325 577 HA HIS 73 HA HIS 73 5.816 6.491 9.870 578 HB2 HIS 73 HB2 HIS 73 5.004 8.210 7.503 579 HB3 HIS 73 HB3 HIS 73 3.857 7.270 8.457 580 HD1 HIS 73 HD1 HIS 73 2.685 9.335 9.482 581 HD2 HIS 73 HD2 HIS 73 6.785 9.208 10.245 582 HE1 HIS 73 HE1 HIS 73 3.144 11.098 11.246 583 HE2 HIS 73 HE2 HIS 73 5.635 11.027 11.717 584 H ILE 74 H ILE 74 6.799 6.556 6.498 585 HA ILE 74 HA ILE 74 5.362 4.219 5.664 586 HB ILE 74 HB ILE 74 7.980 5.316 4.589 587 HG12 ILE 74 HG12 ILE 74 5.113 5.747 3.679 588 HG13 ILE 74 HG13 ILE 74 6.067 6.924 4.579 589 HG21 ILE 74 HG21 ILE 74 7.277 4.083 2.514 590 HG22 ILE 74 HG22 ILE 74 5.950 3.375 3.432 591 HG23 ILE 74 HG23 ILE 74 7.618 3.009 3.866 592 HD11 ILE 74 HD11 ILE 74 6.334 7.606 2.340 593 HD12 ILE 74 HD12 ILE 74 6.461 5.949 1.755 594 HD13 ILE 74 HD13 ILE 74 7.797 6.673 2.648 595 H HIS 75 H HIS 75 8.561 4.709 7.124 596 HA HIS 75 HA HIS 75 9.440 1.998 6.912 597 HB2 HIS 75 HB2 HIS 75 10.897 3.896 7.640 598 HB3 HIS 75 HB3 HIS 75 10.015 3.951 9.166 599 HD1 HIS 75 HD1 HIS 75 10.288 0.519 8.044 600 HD2 HIS 75 HD2 HIS 75 12.755 3.145 10.147 601 HE1 HIS 75 HE1 HIS 75 12.030 -0.908 9.209 602 HE2 HIS 75 HE2 HIS 75 13.535 0.680 10.491 603 H ASN 76 H ASN 76 7.356 3.640 9.230 604 HA ASN 76 HA ASN 76 7.133 1.358 11.018 605 HB2 ASN 76 HB2 ASN 76 6.673 3.685 11.763 606 HB3 ASN 76 HB3 ASN 76 5.280 3.737 10.681 607 HD21 ASN 76 HD21 ASN 76 6.224 0.840 12.524 608 HD22 ASN 76 HD22 ASN 76 4.859 0.833 13.533 609 H LEU 77 H LEU 77 5.188 2.683 8.363 610 HA LEU 77 HA LEU 77 3.070 0.760 8.595 611 HB2 LEU 77 HB2 LEU 77 2.190 2.269 7.114 612 HB3 LEU 77 HB3 LEU 77 3.760 3.020 6.932 613 HG LEU 77 HG LEU 77 4.316 1.374 5.150 614 HD11 LEU 77 HD11 LEU 77 3.067 -0.480 4.793 615 HD12 LEU 77 HD12 LEU 77 1.611 0.475 4.535 616 HD13 LEU 77 HD13 LEU 77 2.046 -0.047 6.160 617 HD21 LEU 77 HD21 LEU 77 1.710 2.833 4.628 618 HD22 LEU 77 HD22 LEU 77 2.953 2.425 3.446 619 HD23 LEU 77 HD23 LEU 77 3.285 3.622 4.697 620 H ARG 78 H ARG 78 6.042 0.859 6.671 621 HA ARG 78 HA ARG 78 5.721 -1.393 5.068 622 HB2 ARG 78 HB2 ARG 78 7.683 0.151 5.042 623 HB3 ARG 78 HB3 ARG 78 8.269 -0.624 6.515 624 HG2 ARG 78 HG2 ARG 78 8.439 -2.768 5.379 625 HG3 ARG 78 HG3 ARG 78 7.719 -2.089 3.919 626 HD2 ARG 78 HD2 ARG 78 10.126 -2.153 3.620 627 HD3 ARG 78 HD3 ARG 78 9.635 -0.469 3.802 628 HE ARG 78 HE ARG 78 10.267 -1.367 6.386 629 HH11 ARG 78 HH11 ARG 78 11.774 -1.037 3.302 630 HH12 ARG 78 HH12 ARG 78 13.355 -0.765 3.957 631 HH21 ARG 78 HH21 ARG 78 12.322 -1.014 7.257 632 HH22 ARG 78 HH22 ARG 78 13.665 -0.752 6.195 633 H GLU 79 H GLU 79 7.077 -1.394 8.401 634 HA GLU 79 HA GLU 79 7.385 -4.241 8.479 635 HB2 GLU 79 HB2 GLU 79 7.463 -3.915 10.984 636 HB3 GLU 79 HB3 GLU 79 8.598 -2.920 10.073 637 HG2 GLU 79 HG2 GLU 79 7.190 -0.985 10.268 638 HG3 GLU 79 HG3 GLU 79 5.862 -1.946 10.923 639 H LYS 80 H LYS 80 4.603 -2.189 9.130 640 HA LYS 80 HA LYS 80 3.080 -4.138 10.572 641 HB2 LYS 80 HB2 LYS 80 2.270 -1.737 8.919 642 HB3 LYS 80 HB3 LYS 80 1.098 -2.734 9.780 643 HG2 LYS 80 HG2 LYS 80 2.320 -2.309 11.899 644 HG3 LYS 80 HG3 LYS 80 3.440 -1.262 11.027 645 HD2 LYS 80 HD2 LYS 80 1.679 0.283 10.465 646 HD3 LYS 80 HD3 LYS 80 0.443 -0.821 11.070 647 HE2 LYS 80 HE2 LYS 80 0.842 0.901 12.743 648 HE3 LYS 80 HE3 LYS 80 1.458 -0.636 13.349 649 HZ1 LYS 80 HZ1 LYS 80 2.980 1.310 13.625 650 HZ2 LYS 80 HZ2 LYS 80 3.149 1.348 11.938 651 HZ3 LYS 80 HZ3 LYS 80 3.659 -0.018 12.810 652 H ILE 81 H ILE 81 3.102 -3.290 7.089 653 HA ILE 81 HA ILE 81 1.201 -5.376 6.426 654 HB ILE 81 HB ILE 81 1.928 -4.862 4.055 655 HG12 ILE 81 HG12 ILE 81 3.584 -2.714 5.406 656 HG13 ILE 81 HG13 ILE 81 4.269 -4.192 4.737 657 HG21 ILE 81 HG21 ILE 81 1.245 -2.446 5.759 658 HG22 ILE 81 HG22 ILE 81 0.075 -3.659 5.235 659 HG23 ILE 81 HG23 ILE 81 0.898 -2.652 4.042 660 HD11 ILE 81 HD11 ILE 81 4.399 -2.313 3.125 661 HD12 ILE 81 HD12 ILE 81 2.643 -2.166 3.174 662 HD13 ILE 81 HD13 ILE 81 3.386 -3.624 2.520 663 H GLY 82 H GLY 82 4.668 -5.231 6.766 664 HA2 GLY 82 HA2 GLY 82 6.139 -7.097 6.882 665 HA3 GLY 82 HA3 GLY 82 4.833 -8.141 6.310 666 H LYS 83 H LYS 83 7.255 -5.803 5.312 667 HA LYS 83 HA LYS 83 6.862 -5.550 2.593 668 HB2 LYS 83 HB2 LYS 83 9.306 -5.358 2.355 669 HB3 LYS 83 HB3 LYS 83 8.743 -4.505 3.793 670 HG2 LYS 83 HG2 LYS 83 9.268 -6.623 5.108 671 HG3 LYS 83 HG3 LYS 83 10.084 -7.216 3.664 672 HD2 LYS 83 HD2 LYS 83 10.757 -4.692 5.206 673 HD3 LYS 83 HD3 LYS 83 11.719 -6.168 5.143 674 HE2 LYS 83 HE2 LYS 83 11.239 -4.143 2.955 675 HE3 LYS 83 HE3 LYS 83 12.772 -4.770 3.558 676 HZ1 LYS 83 HZ1 LYS 83 12.590 -6.021 1.703 677 HZ2 LYS 83 HZ2 LYS 83 10.897 -5.952 1.666 678 HZ3 LYS 83 HZ3 LYS 83 11.679 -7.018 2.733 679 H SER 84 H SER 84 7.496 -8.475 4.267 680 HA SER 84 HA SER 84 8.849 -10.020 2.344 681 HB2 SER 84 HB2 SER 84 6.685 -10.809 4.308 682 HB3 SER 84 HB3 SER 84 7.615 -11.971 3.366 683 HG SER 84 HG SER 84 9.499 -10.762 4.293 684 H ARG 85 H ARG 85 5.303 -9.545 2.693 685 HA ARG 85 HA ARG 85 4.819 -11.034 0.207 686 HB2 ARG 85 HB2 ARG 85 3.038 -9.494 2.107 687 HB3 ARG 85 HB3 ARG 85 2.428 -10.185 0.602 688 HG2 ARG 85 HG2 ARG 85 2.043 -11.780 2.402 689 HG3 ARG 85 HG3 ARG 85 3.281 -12.424 1.331 690 HD2 ARG 85 HD2 ARG 85 5.015 -11.987 2.875 691 HD3 ARG 85 HD3 ARG 85 4.042 -10.826 3.781 692 HE ARG 85 HE ARG 85 2.924 -13.521 3.817 693 HH11 ARG 85 HH11 ARG 85 5.166 -11.295 5.200 694 HH12 ARG 85 HH12 ARG 85 5.211 -12.091 6.737 695 HH21 ARG 85 HH21 ARG 85 2.969 -14.570 5.817 696 HH22 ARG 85 HH22 ARG 85 3.966 -13.944 7.088 697 H ILE 86 H ILE 86 6.222 -8.163 0.514 698 HA ILE 86 HA ILE 86 4.907 -7.043 -1.948 699 HB ILE 86 HB ILE 86 5.905 -5.487 0.464 700 HG12 ILE 86 HG12 ILE 86 3.458 -4.627 0.326 701 HG13 ILE 86 HG13 ILE 86 3.159 -6.009 -0.719 702 HG21 ILE 86 HG21 ILE 86 4.983 -3.524 -0.914 703 HG22 ILE 86 HG22 ILE 86 5.038 -4.618 -2.296 704 HG23 ILE 86 HG23 ILE 86 6.521 -4.207 -1.436 705 HD11 ILE 86 HD11 ILE 86 4.535 -6.893 1.693 706 HD12 ILE 86 HD12 ILE 86 2.953 -7.359 1.072 707 HD13 ILE 86 HD13 ILE 86 3.111 -5.947 2.107 708 H ARG 87 H ARG 87 6.449 -5.654 -3.204 709 HA ARG 87 HA ARG 87 9.305 -6.550 -2.826 710 HB2 ARG 87 HB2 ARG 87 8.087 -7.475 -4.848 711 HB3 ARG 87 HB3 ARG 87 7.958 -5.818 -5.440 712 HG2 ARG 87 HG2 ARG 87 10.407 -5.591 -5.388 713 HG3 ARG 87 HG3 ARG 87 10.553 -7.235 -4.764 714 HD2 ARG 87 HD2 ARG 87 9.303 -6.491 -7.425 715 HD3 ARG 87 HD3 ARG 87 10.928 -7.145 -7.216 716 HE ARG 87 HE ARG 87 9.246 -8.979 -5.949 717 HH11 ARG 87 HH11 ARG 87 9.577 -7.536 -9.065 718 HH12 ARG 87 HH12 ARG 87 8.954 -8.912 -9.914 719 HH21 ARG 87 HH21 ARG 87 8.430 -10.782 -7.041 720 HH22 ARG 87 HH22 ARG 87 8.304 -10.747 -8.769 721 H THR 88 H THR 88 9.939 -4.698 -1.655 722 HA THR 88 HA THR 88 9.288 -2.019 -2.436 723 HB THR 88 HB THR 88 10.869 -1.325 -0.808 724 HG1 THR 88 HG1 THR 88 12.055 -3.882 -1.133 725 HG21 THR 88 HG21 THR 88 10.089 -4.112 0.079 726 HG22 THR 88 HG22 THR 88 8.963 -2.755 0.043 727 HG23 THR 88 HG23 THR 88 10.373 -2.702 1.100 728 H VAL 89 H VAL 89 10.225 -0.686 -3.921 729 HA VAL 89 HA VAL 89 12.444 -1.802 -5.591 730 HB VAL 89 HB VAL 89 10.549 0.507 -6.124 731 HG11 VAL 89 HG11 VAL 89 11.429 0.189 -8.476 732 HG12 VAL 89 HG12 VAL 89 12.657 -0.880 -7.800 733 HG13 VAL 89 HG13 VAL 89 12.613 0.820 -7.330 734 HG21 VAL 89 HG21 VAL 89 9.550 -1.087 -7.776 735 HG22 VAL 89 HG22 VAL 89 9.353 -1.623 -6.106 736 HG23 VAL 89 HG23 VAL 89 10.588 -2.357 -7.128 737 H ARG 90 H ARG 90 14.289 -1.201 -4.434 738 HA ARG 90 HA ARG 90 14.640 1.285 -3.079 739 HB2 ARG 90 HB2 ARG 90 16.766 -0.458 -4.367 740 HB3 ARG 90 HB3 ARG 90 17.034 0.754 -3.114 741 HG2 ARG 90 HG2 ARG 90 15.502 -0.525 -1.609 742 HG3 ARG 90 HG3 ARG 90 15.381 -1.774 -2.849 743 HD2 ARG 90 HD2 ARG 90 17.931 -0.873 -1.477 744 HD3 ARG 90 HD3 ARG 90 17.084 -2.394 -1.193 745 HE ARG 90 HE ARG 90 18.854 -1.831 -3.421 746 HH11 ARG 90 HH11 ARG 90 16.028 -3.508 -2.375 747 HH12 ARG 90 HH12 ARG 90 16.179 -4.770 -3.551 748 HH21 ARG 90 HH21 ARG 90 19.067 -3.469 -4.964 749 HH22 ARG 90 HH22 ARG 90 17.900 -4.748 -5.017 750 H GLY 91 H GLY 91 13.674 2.743 -4.722 751 HA2 GLY 91 HA2 GLY 91 15.746 4.002 -6.335 752 HA3 GLY 91 HA3 GLY 91 14.507 3.213 -7.315 753 H PHE 92 H PHE 92 12.163 3.818 -6.605 754 HA PHE 92 HA PHE 92 11.743 6.288 -5.222 755 HB2 PHE 92 HB2 PHE 92 11.465 7.837 -6.963 756 HB3 PHE 92 HB3 PHE 92 12.860 6.923 -7.517 757 HD1 PHE 92 HD1 PHE 92 12.040 4.572 -8.748 758 HD2 PHE 92 HD2 PHE 92 9.911 8.307 -8.674 759 HE1 PHE 92 HE1 PHE 92 10.815 3.921 -10.803 760 HE2 PHE 92 HE2 PHE 92 8.688 7.651 -10.725 761 HZ PHE 92 HZ PHE 92 9.137 5.458 -11.789 762 H GLY 93 H GLY 93 10.663 3.432 -5.843 763 HA2 GLY 93 HA2 GLY 93 7.833 4.222 -5.661 764 HA3 GLY 93 HA3 GLY 93 8.255 3.333 -7.125 765 H TYR 94 H TYR 94 6.636 1.819 -6.124 766 HA TYR 94 HA TYR 94 8.070 -0.269 -4.566 767 HB2 TYR 94 HB2 TYR 94 5.579 1.212 -3.703 768 HB3 TYR 94 HB3 TYR 94 5.792 -0.473 -3.227 769 HD1 TYR 94 HD1 TYR 94 7.326 2.923 -3.056 770 HD2 TYR 94 HD2 TYR 94 7.338 -1.087 -1.521 771 HE1 TYR 94 HE1 TYR 94 8.857 3.618 -1.241 772 HE2 TYR 94 HE2 TYR 94 8.867 -0.393 0.295 773 HH TYR 94 HH TYR 94 9.735 1.416 1.376 774 H MET 95 H MET 95 6.622 -2.331 -4.560 775 HA MET 95 HA MET 95 4.591 -2.440 -6.680 776 HB2 MET 95 HB2 MET 95 6.607 -2.447 -8.055 777 HB3 MET 95 HB3 MET 95 7.297 -3.749 -7.088 778 HG2 MET 95 HG2 MET 95 5.642 -5.309 -7.840 779 HG3 MET 95 HG3 MET 95 4.666 -4.028 -8.558 780 HE1 MET 95 HE1 MET 95 7.441 -6.609 -10.739 781 HE2 MET 95 HE2 MET 95 5.850 -6.807 -9.993 782 HE3 MET 95 HE3 MET 95 7.283 -6.621 -8.984 783 H LEU 96 H LEU 96 3.167 -3.969 -6.108 784 HA LEU 96 HA LEU 96 3.792 -5.824 -3.914 785 HB2 LEU 96 HB2 LEU 96 1.325 -5.143 -5.519 786 HB3 LEU 96 HB3 LEU 96 1.340 -6.588 -4.509 787 HG LEU 96 HG LEU 96 1.832 -5.260 -2.531 788 HD11 LEU 96 HD11 LEU 96 3.252 -3.533 -3.423 789 HD12 LEU 96 HD12 LEU 96 1.831 -2.735 -2.756 790 HD13 LEU 96 HD13 LEU 96 1.978 -2.961 -4.499 791 HD21 LEU 96 HD21 LEU 96 -0.365 -3.908 -4.126 792 HD22 LEU 96 HD22 LEU 96 -0.253 -4.024 -2.369 793 HD23 LEU 96 HD23 LEU 96 -0.541 -5.474 -3.332 794 H ALA 97 H ALA 97 4.103 -8.035 -4.122 795 HA ALA 97 HA ALA 97 4.913 -9.027 -6.731 796 HB1 ALA 97 HB1 ALA 97 5.180 -11.206 -5.480 797 HB2 ALA 97 HB2 ALA 97 4.559 -10.389 -4.046 798 HB3 ALA 97 HB3 ALA 97 6.072 -9.855 -4.778 799 H ASN 98 H ASN 98 3.287 -9.353 -8.204 800 HA ASN 98 HA ASN 98 0.613 -10.156 -7.464 801 HB2 ASN 98 HB2 ASN 98 0.365 -10.552 -9.952 802 HB3 ASN 98 HB3 ASN 98 0.917 -8.933 -9.520 803 HD21 ASN 98 HD21 ASN 98 2.837 -8.241 -10.495 804 HD22 ASN 98 HD22 ASN 98 3.938 -9.260 -11.289 805 H ASN 99 H ASN 99 -0.054 -12.181 -6.958 806 HA ASN 99 HA ASN 99 0.015 -14.506 -6.642 807 HB2 ASN 99 HB2 ASN 99 1.056 -14.245 -9.477 808 HB3 ASN 99 HB3 ASN 99 0.640 -15.787 -8.730 809 HD21 ASN 99 HD21 ASN 99 -0.894 -12.518 -8.981 810 HD22 ASN 99 HD22 ASN 99 -2.437 -13.118 -9.358 811 H ILE 100 H ILE 100 1.565 -14.793 -5.025 812 HA ILE 100 HA ILE 100 4.396 -14.584 -5.498 813 HB ILE 100 HB ILE 100 3.149 -16.251 -3.302 814 HG12 ILE 100 HG12 ILE 100 1.847 -14.217 -3.323 815 HG13 ILE 100 HG13 ILE 100 2.997 -14.110 -1.995 816 HG21 ILE 100 HG21 ILE 100 5.626 -16.181 -3.518 817 HG22 ILE 100 HG22 ILE 100 5.067 -15.447 -2.015 818 HG23 ILE 100 HG23 ILE 100 5.572 -14.425 -3.362 819 HD11 ILE 100 HD11 ILE 100 3.077 -11.990 -3.096 820 HD12 ILE 100 HD12 ILE 100 3.142 -12.740 -4.689 821 HD13 ILE 100 HD13 ILE 100 4.531 -12.842 -3.609 822 H ASP 101 H ASP 101 2.113 -16.900 -6.305 823 HA ASP 101 HA ASP 101 3.832 -19.254 -6.199 824 HB2 ASP 101 HB2 ASP 101 2.001 -20.251 -7.656 825 HB3 ASP 101 HB3 ASP 101 1.461 -19.631 -6.095 826 H THR 102 H THR 102 3.516 -16.588 -8.324 827 HA THR 102 HA THR 102 5.587 -17.617 -10.067 828 HB THR 102 HB THR 102 3.637 -18.847 -10.981 829 HG1 THR 102 HG1 THR 102 5.038 -16.907 -12.366 830 HG21 THR 102 HG21 THR 102 1.979 -17.062 -10.259 831 HG22 THR 102 HG22 THR 102 1.739 -17.697 -11.886 832 HG23 THR 102 HG23 THR 102 2.504 -16.126 -11.659 833 H GLU 103 H GLU 103 6.375 -15.958 -11.496 834 HA GLU 103 HA GLU 103 5.019 -13.398 -11.718 835 HB2 GLU 103 HB2 GLU 103 6.704 -12.090 -10.447 836 HB3 GLU 103 HB3 GLU 103 5.810 -13.194 -9.400 837 HG2 GLU 103 HG2 GLU 103 7.683 -14.858 -9.686 838 HG3 GLU 103 HG3 GLU 103 8.592 -13.603 -10.529 Start of MODEL 5 1 H1 ASN 1 H1 ASN 1 -18.598 -3.383 -8.739 2 H2 ASN 1 H2 ASN 1 -19.372 -4.084 -7.397 3 H3 ASN 1 H3 ASN 1 -17.966 -3.155 -7.182 4 HA ASN 1 HA ASN 1 -19.251 -1.404 -6.806 5 HB2 ASN 1 HB2 ASN 1 -20.241 -1.841 -9.639 6 HB3 ASN 1 HB3 ASN 1 -20.210 -0.317 -8.752 7 HD21 ASN 1 HD21 ASN 1 -18.805 -0.788 -11.280 8 HD22 ASN 1 HD22 ASN 1 -17.146 -0.626 -10.963 9 H GLN 2 H GLN 2 -20.735 -4.354 -7.532 10 HA GLN 2 HA GLN 2 -23.506 -3.531 -7.369 11 HB2 GLN 2 HB2 GLN 2 -22.231 -6.228 -6.803 12 HB3 GLN 2 HB3 GLN 2 -23.957 -5.937 -7.027 13 HG2 GLN 2 HG2 GLN 2 -23.502 -5.080 -9.310 14 HG3 GLN 2 HG3 GLN 2 -21.788 -5.431 -9.086 15 HE21 GLN 2 HE21 GLN 2 -24.716 -6.762 -10.203 16 HE22 GLN 2 HE22 GLN 2 -24.244 -8.392 -10.233 17 H GLY 3 H GLY 3 -22.799 -2.059 -5.409 18 HA2 GLY 3 HA2 GLY 3 -23.148 -1.616 -3.130 19 HA3 GLY 3 HA3 GLY 3 -24.009 -3.153 -3.048 20 H ASP 4 H ASP 4 -20.669 -2.863 -4.120 21 HA ASP 4 HA ASP 4 -19.531 -3.585 -1.538 22 HB2 ASP 4 HB2 ASP 4 -18.725 -5.833 -2.281 23 HB3 ASP 4 HB3 ASP 4 -20.479 -5.758 -2.112 24 H ASN 5 H ASN 5 -17.114 -4.407 -2.044 25 HA ASN 5 HA ASN 5 -15.905 -3.541 -4.506 26 HB2 ASN 5 HB2 ASN 5 -16.461 -1.300 -3.657 27 HB3 ASN 5 HB3 ASN 5 -15.665 -1.667 -2.127 28 HD21 ASN 5 HD21 ASN 5 -14.206 -2.947 -5.036 29 HD22 ASN 5 HD22 ASN 5 -12.906 -1.859 -5.099 30 H GLU 6 H GLU 6 -14.436 -5.214 -4.474 31 HA GLU 6 HA GLU 6 -12.338 -5.193 -2.436 32 HB2 GLU 6 HB2 GLU 6 -12.730 -7.566 -1.747 33 HB3 GLU 6 HB3 GLU 6 -14.016 -6.478 -1.224 34 HG2 GLU 6 HG2 GLU 6 -15.348 -7.137 -3.221 35 HG3 GLU 6 HG3 GLU 6 -14.082 -8.283 -3.660 36 H ILE 7 H ILE 7 -10.555 -6.555 -3.031 37 HA ILE 7 HA ILE 7 -10.700 -7.966 -5.645 38 HB ILE 7 HB ILE 7 -8.606 -6.767 -6.384 39 HG12 ILE 7 HG12 ILE 7 -9.360 -4.904 -4.106 40 HG13 ILE 7 HG13 ILE 7 -7.945 -5.955 -4.136 41 HG21 ILE 7 HG21 ILE 7 -9.790 -4.825 -7.220 42 HG22 ILE 7 HG22 ILE 7 -10.974 -4.930 -5.917 43 HG23 ILE 7 HG23 ILE 7 -10.928 -6.171 -7.169 44 HD11 ILE 7 HD11 ILE 7 -8.531 -3.654 -6.021 45 HD12 ILE 7 HD12 ILE 7 -7.193 -4.784 -6.226 46 HD13 ILE 7 HD13 ILE 7 -7.252 -3.732 -4.812 47 H SER 8 H SER 8 -8.682 -9.256 -6.006 48 HA SER 8 HA SER 8 -7.114 -9.820 -3.518 49 HB2 SER 8 HB2 SER 8 -7.507 -12.193 -3.702 50 HB3 SER 8 HB3 SER 8 -9.081 -11.401 -3.692 51 HG SER 8 HG SER 8 -9.205 -11.665 -5.892 52 H VAL 9 H VAL 9 -5.094 -10.779 -3.923 53 HA VAL 9 HA VAL 9 -4.242 -11.172 -6.744 54 HB VAL 9 HB VAL 9 -2.838 -9.260 -4.845 55 HG11 VAL 9 HG11 VAL 9 -2.269 -10.161 -7.682 56 HG12 VAL 9 HG12 VAL 9 -1.247 -10.395 -6.264 57 HG13 VAL 9 HG13 VAL 9 -1.485 -8.775 -6.921 58 HG21 VAL 9 HG21 VAL 9 -4.543 -8.804 -7.311 59 HG22 VAL 9 HG22 VAL 9 -3.474 -7.574 -6.637 60 HG23 VAL 9 HG23 VAL 9 -4.826 -8.185 -5.684 61 H GLY 10 H GLY 10 -3.803 -13.339 -6.308 62 HA2 GLY 10 HA2 GLY 10 -2.369 -15.092 -5.648 63 HA3 GLY 10 HA3 GLY 10 -1.351 -13.900 -4.838 64 H ASN 11 H ASN 11 -1.370 -13.977 -2.652 65 HA ASN 11 HA ASN 11 -3.594 -15.442 -1.272 66 HB2 ASN 11 HB2 ASN 11 -1.986 -15.673 0.582 67 HB3 ASN 11 HB3 ASN 11 -1.331 -16.334 -0.914 68 HD21 ASN 11 HD21 ASN 11 -0.743 -14.073 1.612 69 HD22 ASN 11 HD22 ASN 11 0.584 -13.287 0.904 70 H LEU 12 H LEU 12 -2.921 -12.336 -2.039 71 HA LEU 12 HA LEU 12 -3.569 -11.189 0.653 72 HB2 LEU 12 HB2 LEU 12 -2.906 -9.718 -1.920 73 HB3 LEU 12 HB3 LEU 12 -2.904 -9.066 -0.284 74 HG LEU 12 HG LEU 12 -1.056 -11.279 -1.238 75 HD11 LEU 12 HD11 LEU 12 -0.407 -8.359 -0.759 76 HD12 LEU 12 HD12 LEU 12 -0.682 -9.052 -2.357 77 HD13 LEU 12 HD13 LEU 12 0.677 -9.604 -1.379 78 HD21 LEU 12 HD21 LEU 12 0.196 -10.509 0.879 79 HD22 LEU 12 HD22 LEU 12 -1.290 -11.422 1.134 80 HD23 LEU 12 HD23 LEU 12 -1.289 -9.668 1.318 81 H ARG 13 H ARG 13 -5.625 -10.607 1.067 82 HA ARG 13 HA ARG 13 -7.529 -10.186 -1.229 83 HB2 ARG 13 HB2 ARG 13 -7.860 -11.508 1.444 84 HB3 ARG 13 HB3 ARG 13 -9.257 -10.861 0.588 85 HG2 ARG 13 HG2 ARG 13 -8.669 -12.263 -1.368 86 HG3 ARG 13 HG3 ARG 13 -7.305 -12.927 -0.469 87 HD2 ARG 13 HD2 ARG 13 -9.191 -14.466 -0.306 88 HD3 ARG 13 HD3 ARG 13 -8.899 -13.737 1.274 89 HE ARG 13 HE ARG 13 -11.019 -12.718 1.118 90 HH11 ARG 13 HH11 ARG 13 -9.841 -13.723 -1.963 91 HH12 ARG 13 HH12 ARG 13 -11.305 -13.329 -2.800 92 HH21 ARG 13 HH21 ARG 13 -12.936 -12.197 0.044 93 HH22 ARG 13 HH22 ARG 13 -13.059 -12.466 -1.663 94 H LEU 14 H LEU 14 -8.274 -8.163 -1.367 95 HA LEU 14 HA LEU 14 -7.999 -6.330 0.991 96 HB2 LEU 14 HB2 LEU 14 -6.869 -5.866 -1.304 97 HB3 LEU 14 HB3 LEU 14 -8.493 -5.507 -1.880 98 HG LEU 14 HG LEU 14 -8.571 -3.955 0.301 99 HD11 LEU 14 HD11 LEU 14 -5.625 -3.769 -0.372 100 HD12 LEU 14 HD12 LEU 14 -6.205 -4.811 0.921 101 HD13 LEU 14 HD13 LEU 14 -6.484 -3.075 1.002 102 HD21 LEU 14 HD21 LEU 14 -8.839 -3.083 -1.956 103 HD22 LEU 14 HD22 LEU 14 -7.112 -3.257 -2.269 104 HD23 LEU 14 HD23 LEU 14 -7.680 -2.069 -1.098 105 H ASN 15 H ASN 15 -9.816 -5.230 1.760 106 HA ASN 15 HA ASN 15 -12.420 -5.615 0.327 107 HB2 ASN 15 HB2 ASN 15 -12.106 -5.882 3.328 108 HB3 ASN 15 HB3 ASN 15 -13.523 -6.265 2.348 109 HD21 ASN 15 HD21 ASN 15 -13.170 -8.086 0.684 110 HD22 ASN 15 HD22 ASN 15 -12.130 -9.355 1.121 111 H VAL 16 H VAL 16 -12.537 -3.451 -0.300 112 HA VAL 16 HA VAL 16 -11.929 -1.270 1.523 113 HB VAL 16 HB VAL 16 -13.539 -1.117 -1.038 114 HG11 VAL 16 HG11 VAL 16 -11.689 0.813 0.400 115 HG12 VAL 16 HG12 VAL 16 -13.444 0.941 0.286 116 HG13 VAL 16 HG13 VAL 16 -12.451 1.122 -1.160 117 HG21 VAL 16 HG21 VAL 16 -11.573 -2.376 -1.611 118 HG22 VAL 16 HG22 VAL 16 -10.542 -1.333 -0.633 119 HG23 VAL 16 HG23 VAL 16 -11.269 -0.713 -2.115 120 H THR 17 H THR 17 -14.801 -3.061 0.623 121 HA THR 17 HA THR 17 -16.790 -1.238 1.473 122 HB THR 17 HB THR 17 -17.779 -3.070 0.445 123 HG1 THR 17 HG1 THR 17 -19.066 -3.659 1.968 124 HG21 THR 17 HG21 THR 17 -15.660 -4.712 1.843 125 HG22 THR 17 HG22 THR 17 -15.875 -4.450 0.113 126 HG23 THR 17 HG23 THR 17 -17.017 -5.456 1.002 127 H ARG 18 H ARG 18 -15.233 -3.860 3.359 128 HA ARG 18 HA ARG 18 -16.272 -2.629 5.871 129 HB2 ARG 18 HB2 ARG 18 -15.237 -4.735 6.885 130 HB3 ARG 18 HB3 ARG 18 -16.595 -4.995 5.791 131 HG2 ARG 18 HG2 ARG 18 -15.123 -5.592 3.981 132 HG3 ARG 18 HG3 ARG 18 -13.703 -5.110 4.908 133 HD2 ARG 18 HD2 ARG 18 -13.917 -6.945 6.401 134 HD3 ARG 18 HD3 ARG 18 -15.575 -7.273 5.894 135 HE ARG 18 HE ARG 18 -13.175 -8.224 4.565 136 HH11 ARG 18 HH11 ARG 18 -16.444 -7.196 4.188 137 HH12 ARG 18 HH12 ARG 18 -16.708 -8.117 2.745 138 HH21 ARG 18 HH21 ARG 18 -13.502 -9.432 2.681 139 HH22 ARG 18 HH22 ARG 18 -15.043 -9.383 1.893 140 H ARG 19 H ARG 19 -13.551 -2.613 3.896 141 HA ARG 19 HA ARG 19 -11.431 -1.680 4.147 142 HB2 ARG 19 HB2 ARG 19 -12.893 0.048 5.458 143 HB3 ARG 19 HB3 ARG 19 -12.226 -0.705 6.900 144 HG2 ARG 19 HG2 ARG 19 -10.651 0.982 6.553 145 HG3 ARG 19 HG3 ARG 19 -9.901 -0.334 5.656 146 HD2 ARG 19 HD2 ARG 19 -9.900 1.752 4.338 147 HD3 ARG 19 HD3 ARG 19 -10.900 0.527 3.562 148 HE ARG 19 HE ARG 19 -12.770 1.912 3.928 149 HH11 ARG 19 HH11 ARG 19 -10.115 2.759 5.959 150 HH12 ARG 19 HH12 ARG 19 -10.883 4.173 6.598 151 HH21 ARG 19 HH21 ARG 19 -13.787 3.754 4.749 152 HH22 ARG 19 HH22 ARG 19 -12.964 4.736 5.913 153 H LEU 20 H LEU 20 -10.877 -4.040 4.345 154 HA LEU 20 HA LEU 20 -9.241 -4.471 6.724 155 HB2 LEU 20 HB2 LEU 20 -11.433 -5.339 7.463 156 HB3 LEU 20 HB3 LEU 20 -11.519 -6.357 6.028 157 HG LEU 20 HG LEU 20 -9.497 -7.579 6.776 158 HD11 LEU 20 HD11 LEU 20 -8.900 -7.141 9.295 159 HD12 LEU 20 HD12 LEU 20 -9.614 -5.554 9.015 160 HD13 LEU 20 HD13 LEU 20 -8.223 -6.077 8.068 161 HD21 LEU 20 HD21 LEU 20 -11.694 -7.372 8.858 162 HD22 LEU 20 HD22 LEU 20 -10.557 -8.712 8.710 163 HD23 LEU 20 HD23 LEU 20 -11.720 -8.397 7.423 164 H VAL 21 H VAL 21 -7.685 -6.218 6.343 165 HA VAL 21 HA VAL 21 -7.638 -7.328 3.568 166 HB VAL 21 HB VAL 21 -5.232 -6.057 4.892 167 HG11 VAL 21 HG11 VAL 21 -4.785 -7.752 3.151 168 HG12 VAL 21 HG12 VAL 21 -4.327 -6.141 2.596 169 HG13 VAL 21 HG13 VAL 21 -5.826 -6.875 2.030 170 HG21 VAL 21 HG21 VAL 21 -5.659 -4.213 3.154 171 HG22 VAL 21 HG22 VAL 21 -6.727 -4.236 4.556 172 HG23 VAL 21 HG23 VAL 21 -7.289 -4.873 3.012 173 H TRP 22 H TRP 22 -6.988 -9.455 3.548 174 HA TRP 22 HA TRP 22 -6.014 -10.632 6.122 175 HB2 TRP 22 HB2 TRP 22 -7.272 -11.844 3.655 176 HB3 TRP 22 HB3 TRP 22 -6.569 -12.816 4.940 177 HD1 TRP 22 HD1 TRP 22 -7.617 -12.320 7.467 178 HE1 TRP 22 HE1 TRP 22 -10.074 -11.895 8.116 179 HE3 TRP 22 HE3 TRP 22 -9.513 -10.913 2.927 180 HZ2 TRP 22 HZ2 TRP 22 -12.516 -11.074 6.881 181 HZ3 TRP 22 HZ3 TRP 22 -11.905 -10.326 2.698 182 HH2 TRP 22 HH2 TRP 22 -13.408 -10.399 4.667 183 H LEU 23 H LEU 23 -4.097 -11.773 6.206 184 HA LEU 23 HA LEU 23 -2.271 -11.590 3.824 185 HB2 LEU 23 HB2 LEU 23 -1.703 -10.150 5.840 186 HB3 LEU 23 HB3 LEU 23 -1.511 -11.635 6.762 187 HG LEU 23 HG LEU 23 0.153 -12.316 4.820 188 HD11 LEU 23 HD11 LEU 23 0.095 -9.288 4.593 189 HD12 LEU 23 HD12 LEU 23 -0.292 -10.443 3.322 190 HD13 LEU 23 HD13 LEU 23 1.357 -10.316 3.921 191 HD21 LEU 23 HD21 LEU 23 0.809 -11.889 7.178 192 HD22 LEU 23 HD22 LEU 23 0.900 -10.163 6.828 193 HD23 LEU 23 HD23 LEU 23 2.015 -11.281 6.045 194 H GLY 24 H GLY 24 -2.523 -13.687 3.002 195 HA2 GLY 24 HA2 GLY 24 -2.116 -16.001 2.909 196 HA3 GLY 24 HA3 GLY 24 -1.212 -15.831 4.413 197 H GLU 25 H GLU 25 -2.603 -15.564 6.420 198 HA GLU 25 HA GLU 25 -5.345 -16.645 6.246 199 HB2 GLU 25 HB2 GLU 25 -3.076 -18.138 7.595 200 HB3 GLU 25 HB3 GLU 25 -4.781 -18.479 7.887 201 HG2 GLU 25 HG2 GLU 25 -5.005 -18.797 5.352 202 HG3 GLU 25 HG3 GLU 25 -3.242 -18.788 5.297 203 H THR 26 H THR 26 -3.751 -14.253 7.276 204 HA THR 26 HA THR 26 -5.011 -14.180 9.988 205 HB THR 26 HB THR 26 -3.005 -13.069 10.897 206 HG1 THR 26 HG1 THR 26 -2.130 -12.220 9.040 207 HG21 THR 26 HG21 THR 26 -3.273 -15.541 11.068 208 HG22 THR 26 HG22 THR 26 -1.581 -15.046 11.020 209 HG23 THR 26 HG23 THR 26 -2.345 -15.718 9.579 210 H ALA 27 H ALA 27 -5.878 -12.211 10.530 211 HA ALA 27 HA ALA 27 -6.424 -10.340 8.421 212 HB1 ALA 27 HB1 ALA 27 -6.710 -9.944 11.414 213 HB2 ALA 27 HB2 ALA 27 -7.917 -10.714 10.384 214 HB3 ALA 27 HB3 ALA 27 -7.519 -9.011 10.154 215 H LEU 28 H LEU 28 -5.079 -8.787 7.666 216 HA LEU 28 HA LEU 28 -2.613 -8.131 9.081 217 HB2 LEU 28 HB2 LEU 28 -2.982 -8.286 6.523 218 HB3 LEU 28 HB3 LEU 28 -3.735 -6.703 6.654 219 HG LEU 28 HG LEU 28 -1.646 -5.811 7.658 220 HD11 LEU 28 HD11 LEU 28 0.409 -7.490 7.112 221 HD12 LEU 28 HD12 LEU 28 -0.829 -8.688 7.478 222 HD13 LEU 28 HD13 LEU 28 -0.400 -7.470 8.675 223 HD21 LEU 28 HD21 LEU 28 -1.506 -7.181 4.958 224 HD22 LEU 28 HD22 LEU 28 -0.248 -6.086 5.523 225 HD23 LEU 28 HD23 LEU 28 -1.894 -5.495 5.300 226 H ASP 29 H ASP 29 -2.368 -6.455 10.497 227 HA ASP 29 HA ASP 29 -4.659 -4.566 10.867 228 HB2 ASP 29 HB2 ASP 29 -3.489 -4.067 13.041 229 HB3 ASP 29 HB3 ASP 29 -4.020 -5.741 12.879 230 H LEU 30 H LEU 30 -4.388 -2.732 9.686 231 HA LEU 30 HA LEU 30 -1.759 -1.303 9.860 232 HB2 LEU 30 HB2 LEU 30 -2.153 -0.556 7.485 233 HB3 LEU 30 HB3 LEU 30 -1.747 -2.260 7.650 234 HG LEU 30 HG LEU 30 -4.677 -1.568 7.712 235 HD11 LEU 30 HD11 LEU 30 -2.977 -1.423 5.210 236 HD12 LEU 30 HD12 LEU 30 -4.018 -0.163 5.871 237 HD13 LEU 30 HD13 LEU 30 -4.730 -1.626 5.189 238 HD21 LEU 30 HD21 LEU 30 -3.215 -3.734 6.171 239 HD22 LEU 30 HD22 LEU 30 -4.915 -3.696 6.636 240 HD23 LEU 30 HD23 LEU 30 -3.670 -3.924 7.861 241 H THR 31 H THR 31 -1.966 0.957 9.991 242 HA THR 31 HA THR 31 -4.303 1.986 11.180 243 HB THR 31 HB THR 31 -3.312 4.196 10.852 244 HG1 THR 31 HG1 THR 31 -1.110 3.602 9.545 245 HG21 THR 31 HG21 THR 31 -2.312 2.659 12.534 246 HG22 THR 31 HG22 THR 31 -1.126 3.778 11.860 247 HG23 THR 31 HG23 THR 31 -1.169 2.102 11.311 248 HA PRO 32 HA PRO 32 -7.212 2.444 7.761 249 HB2 PRO 32 HB2 PRO 32 -7.612 5.198 8.935 250 HB3 PRO 32 HB3 PRO 32 -8.831 4.024 8.392 251 HG2 PRO 32 HG2 PRO 32 -8.308 4.340 10.980 252 HG3 PRO 32 HG3 PRO 32 -8.624 2.729 10.304 253 HD2 PRO 32 HD2 PRO 32 -6.024 3.899 11.222 254 HD3 PRO 32 HD3 PRO 32 -6.555 2.201 11.181 255 H LYS 33 H LYS 33 -5.186 5.297 8.516 256 HA LYS 33 HA LYS 33 -5.295 6.581 6.009 257 HB2 LYS 33 HB2 LYS 33 -3.089 6.378 8.074 258 HB3 LYS 33 HB3 LYS 33 -2.906 7.354 6.619 259 HG2 LYS 33 HG2 LYS 33 -3.698 8.787 8.406 260 HG3 LYS 33 HG3 LYS 33 -5.000 8.586 7.237 261 HD2 LYS 33 HD2 LYS 33 -6.198 7.100 8.643 262 HD3 LYS 33 HD3 LYS 33 -4.793 6.784 9.660 263 HE2 LYS 33 HE2 LYS 33 -6.557 8.345 10.647 264 HE3 LYS 33 HE3 LYS 33 -4.904 8.958 10.646 265 HZ1 LYS 33 HZ1 LYS 33 -6.653 9.516 8.352 266 HZ2 LYS 33 HZ2 LYS 33 -5.345 10.415 8.950 267 HZ3 LYS 33 HZ3 LYS 33 -6.831 10.430 9.774 268 H GLU 34 H GLU 34 -3.073 4.016 7.112 269 HA GLU 34 HA GLU 34 -1.564 3.808 4.712 270 HB2 GLU 34 HB2 GLU 34 -0.845 2.699 6.760 271 HB3 GLU 34 HB3 GLU 34 -2.292 1.692 6.760 272 HG2 GLU 34 HG2 GLU 34 -1.594 0.517 4.797 273 HG3 GLU 34 HG3 GLU 34 -0.312 1.682 4.470 274 H TYR 35 H TYR 35 -4.688 2.431 5.642 275 HA TYR 35 HA TYR 35 -4.987 0.560 3.541 276 HB2 TYR 35 HB2 TYR 35 -6.547 0.993 5.549 277 HB3 TYR 35 HB3 TYR 35 -7.256 2.282 4.579 278 HD1 TYR 35 HD1 TYR 35 -8.109 1.681 2.216 279 HD2 TYR 35 HD2 TYR 35 -7.231 -1.261 5.224 280 HE1 TYR 35 HE1 TYR 35 -9.490 0.019 0.998 281 HE2 TYR 35 HE2 TYR 35 -8.617 -2.918 4.004 282 HH TYR 35 HH TYR 35 -9.659 -2.446 0.816 283 H ALA 36 H ALA 36 -5.360 4.063 3.577 284 HA ALA 36 HA ALA 36 -6.616 4.287 0.987 285 HB1 ALA 36 HB1 ALA 36 -4.920 6.265 2.543 286 HB2 ALA 36 HB2 ALA 36 -6.681 6.165 2.547 287 HB3 ALA 36 HB3 ALA 36 -5.829 6.661 1.087 288 H LEU 37 H LEU 37 -3.228 4.754 2.027 289 HA LEU 37 HA LEU 37 -2.201 5.086 -0.633 290 HB2 LEU 37 HB2 LEU 37 -0.890 4.187 1.946 291 HB3 LEU 37 HB3 LEU 37 0.004 4.400 0.445 292 HG LEU 37 HG LEU 37 -0.814 6.764 0.354 293 HD11 LEU 37 HD11 LEU 37 -2.788 6.800 1.652 294 HD12 LEU 37 HD12 LEU 37 -1.621 7.643 2.658 295 HD13 LEU 37 HD13 LEU 37 -2.027 5.963 3.003 296 HD21 LEU 37 HD21 LEU 37 0.781 7.590 1.953 297 HD22 LEU 37 HD22 LEU 37 1.400 6.034 1.400 298 HD23 LEU 37 HD23 LEU 37 0.601 6.157 2.965 299 H LEU 38 H LEU 38 -2.763 2.284 1.425 300 HA LEU 38 HA LEU 38 -1.463 0.334 -0.213 301 HB2 LEU 38 HB2 LEU 38 -2.258 0.021 2.174 302 HB3 LEU 38 HB3 LEU 38 -3.896 -0.074 1.540 303 HG LEU 38 HG LEU 38 -3.047 -1.978 0.029 304 HD11 LEU 38 HD11 LEU 38 -1.067 -3.211 1.152 305 HD12 LEU 38 HD12 LEU 38 -0.691 -1.664 1.905 306 HD13 LEU 38 HD13 LEU 38 -0.682 -1.818 0.150 307 HD21 LEU 38 HD21 LEU 38 -3.034 -2.377 3.037 308 HD22 LEU 38 HD22 LEU 38 -3.306 -3.639 1.836 309 HD23 LEU 38 HD23 LEU 38 -4.472 -2.329 2.018 310 H SER 39 H SER 39 -4.857 1.412 -0.068 311 HA SER 39 HA SER 39 -5.944 -0.297 -2.015 312 HB2 SER 39 HB2 SER 39 -6.616 2.618 -1.527 313 HB3 SER 39 HB3 SER 39 -7.634 1.468 -2.389 314 HG SER 39 HG SER 39 -6.706 0.794 0.163 315 H ARG 40 H ARG 40 -3.894 2.533 -2.437 316 HA ARG 40 HA ARG 40 -4.411 2.762 -5.296 317 HB2 ARG 40 HB2 ARG 40 -3.528 4.592 -3.690 318 HB3 ARG 40 HB3 ARG 40 -1.962 3.807 -3.858 319 HG2 ARG 40 HG2 ARG 40 -1.825 5.372 -5.589 320 HG3 ARG 40 HG3 ARG 40 -2.488 3.997 -6.465 321 HD2 ARG 40 HD2 ARG 40 -4.814 4.997 -5.860 322 HD3 ARG 40 HD3 ARG 40 -3.921 6.467 -5.480 323 HE ARG 40 HE ARG 40 -3.059 5.669 -8.036 324 HH11 ARG 40 HH11 ARG 40 -5.966 6.571 -6.414 325 HH12 ARG 40 HH12 ARG 40 -6.699 7.255 -7.826 326 HH21 ARG 40 HH21 ARG 40 -4.001 6.557 -9.889 327 HH22 ARG 40 HH22 ARG 40 -5.586 7.247 -9.793 328 H LEU 41 H LEU 41 -1.859 1.241 -3.322 329 HA LEU 41 HA LEU 41 -0.172 0.503 -5.495 330 HB2 LEU 41 HB2 LEU 41 -0.614 -0.941 -2.869 331 HB3 LEU 41 HB3 LEU 41 0.732 -1.224 -3.964 332 HG LEU 41 HG LEU 41 0.130 1.482 -2.730 333 HD11 LEU 41 HD11 LEU 41 2.194 -0.558 -1.847 334 HD12 LEU 41 HD12 LEU 41 0.673 -0.264 -1.011 335 HD13 LEU 41 HD13 LEU 41 1.882 1.012 -1.109 336 HD21 LEU 41 HD21 LEU 41 2.441 0.331 -4.325 337 HD22 LEU 41 HD22 LEU 41 2.648 1.751 -3.302 338 HD23 LEU 41 HD23 LEU 41 1.517 1.796 -4.645 339 H MET 42 H MET 42 -2.888 -1.292 -3.991 340 HA MET 42 HA MET 42 -2.583 -3.602 -5.656 341 HB2 MET 42 HB2 MET 42 -5.051 -2.496 -4.285 342 HB3 MET 42 HB3 MET 42 -4.920 -4.109 -4.984 343 HG2 MET 42 HG2 MET 42 -3.004 -3.106 -2.868 344 HG3 MET 42 HG3 MET 42 -4.502 -3.944 -2.466 345 HE1 MET 42 HE1 MET 42 -5.221 -6.094 -3.717 346 HE2 MET 42 HE2 MET 42 -4.552 -6.479 -2.126 347 HE3 MET 42 HE3 MET 42 -4.147 -7.476 -3.520 348 H MET 43 H MET 43 -4.387 -0.589 -6.049 349 HA MET 43 HA MET 43 -5.928 -1.300 -8.312 350 HB2 MET 43 HB2 MET 43 -6.104 0.854 -7.003 351 HB3 MET 43 HB3 MET 43 -4.645 1.404 -7.826 352 HG2 MET 43 HG2 MET 43 -5.762 1.123 -10.007 353 HG3 MET 43 HG3 MET 43 -7.221 0.564 -9.190 354 HE1 MET 43 HE1 MET 43 -9.116 2.519 -9.667 355 HE2 MET 43 HE2 MET 43 -7.921 2.280 -10.950 356 HE3 MET 43 HE3 MET 43 -8.388 3.909 -10.468 357 H LYS 44 H LYS 44 -2.561 -0.395 -7.986 358 HA LYS 44 HA LYS 44 -2.150 -0.775 -10.946 359 HB2 LYS 44 HB2 LYS 44 -0.711 0.912 -8.886 360 HB3 LYS 44 HB3 LYS 44 -0.019 0.561 -10.470 361 HG2 LYS 44 HG2 LYS 44 -1.939 1.589 -11.578 362 HG3 LYS 44 HG3 LYS 44 -2.725 1.855 -10.021 363 HD2 LYS 44 HD2 LYS 44 -0.734 3.254 -9.348 364 HD3 LYS 44 HD3 LYS 44 -0.156 3.120 -11.009 365 HE2 LYS 44 HE2 LYS 44 -2.760 4.361 -10.084 366 HE3 LYS 44 HE3 LYS 44 -1.389 5.193 -10.819 367 HZ1 LYS 44 HZ1 LYS 44 -1.740 3.987 -12.847 368 HZ2 LYS 44 HZ2 LYS 44 -3.195 4.736 -12.400 369 HZ3 LYS 44 HZ3 LYS 44 -2.986 3.069 -12.145 370 H ALA 45 H ALA 45 -2.298 -3.023 -9.229 371 HA ALA 45 HA ALA 45 0.281 -3.824 -8.259 372 HB1 ALA 45 HB1 ALA 45 -1.679 -4.931 -7.401 373 HB2 ALA 45 HB2 ALA 45 -0.747 -6.133 -8.292 374 HB3 ALA 45 HB3 ALA 45 -2.180 -5.411 -9.022 375 H GLY 46 H GLY 46 1.993 -4.602 -9.371 376 HA2 GLY 46 HA2 GLY 46 2.983 -6.065 -11.064 377 HA3 GLY 46 HA3 GLY 46 1.592 -5.771 -12.103 378 H SER 47 H SER 47 2.035 -2.809 -11.013 379 HA SER 47 HA SER 47 4.181 -2.082 -12.993 380 HB2 SER 47 HB2 SER 47 2.764 0.056 -13.276 381 HB3 SER 47 HB3 SER 47 2.132 -1.416 -14.006 382 HG SER 47 HG SER 47 1.465 -0.738 -11.358 383 HA PRO 48 HA PRO 48 5.910 0.082 -9.506 384 HB2 PRO 48 HB2 PRO 48 7.414 2.013 -10.710 385 HB3 PRO 48 HB3 PRO 48 7.839 0.291 -10.808 386 HG2 PRO 48 HG2 PRO 48 6.389 1.988 -12.812 387 HG3 PRO 48 HG3 PRO 48 7.713 0.834 -13.071 388 HD2 PRO 48 HD2 PRO 48 5.105 0.168 -13.535 389 HD3 PRO 48 HD3 PRO 48 6.295 -1.023 -12.962 390 H VAL 49 H VAL 49 4.714 1.395 -8.169 391 HA VAL 49 HA VAL 49 3.152 3.625 -9.323 392 HB VAL 49 HB VAL 49 3.184 2.415 -6.548 393 HG11 VAL 49 HG11 VAL 49 1.500 4.592 -7.814 394 HG12 VAL 49 HG12 VAL 49 2.472 4.696 -6.345 395 HG13 VAL 49 HG13 VAL 49 1.001 3.725 -6.362 396 HG21 VAL 49 HG21 VAL 49 0.904 1.604 -7.297 397 HG22 VAL 49 HG22 VAL 49 2.263 0.855 -8.134 398 HG23 VAL 49 HG23 VAL 49 1.331 2.124 -8.927 399 H HIS 50 H HIS 50 3.722 5.743 -9.005 400 HA HIS 50 HA HIS 50 6.275 6.345 -7.769 401 HB2 HIS 50 HB2 HIS 50 5.152 7.599 -9.718 402 HB3 HIS 50 HB3 HIS 50 4.126 8.355 -8.504 403 HD1 HIS 50 HD1 HIS 50 5.607 10.453 -9.720 404 HD2 HIS 50 HD2 HIS 50 7.523 8.074 -6.875 405 HE1 HIS 50 HE1 HIS 50 7.610 11.772 -8.907 406 HE2 HIS 50 HE2 HIS 50 8.777 10.335 -7.175 407 H ARG 51 H ARG 51 6.591 6.755 -5.629 408 HA ARG 51 HA ARG 51 4.668 6.429 -3.632 409 HB2 ARG 51 HB2 ARG 51 6.234 7.455 -2.091 410 HB3 ARG 51 HB3 ARG 51 7.146 6.506 -3.264 411 HG2 ARG 51 HG2 ARG 51 7.451 8.650 -4.596 412 HG3 ARG 51 HG3 ARG 51 6.778 9.514 -3.216 413 HD2 ARG 51 HD2 ARG 51 9.180 7.676 -3.034 414 HD3 ARG 51 HD3 ARG 51 9.292 9.424 -3.229 415 HE ARG 51 HE ARG 51 7.612 8.898 -0.996 416 HH11 ARG 51 HH11 ARG 51 10.872 8.555 -2.068 417 HH12 ARG 51 HH12 ARG 51 11.547 8.681 -0.479 418 HH21 ARG 51 HH21 ARG 51 8.477 9.066 1.084 419 HH22 ARG 51 HH22 ARG 51 10.191 8.971 1.306 420 H GLU 52 H GLU 52 5.006 9.062 -5.772 421 HA GLU 52 HA GLU 52 3.967 11.163 -4.108 422 HB2 GLU 52 HB2 GLU 52 3.945 10.765 -7.111 423 HB3 GLU 52 HB3 GLU 52 3.365 12.233 -6.324 424 HG2 GLU 52 HG2 GLU 52 5.620 12.435 -5.211 425 HG3 GLU 52 HG3 GLU 52 6.169 11.091 -6.213 426 H ILE 53 H ILE 53 2.353 8.904 -6.393 427 HA ILE 53 HA ILE 53 -0.264 9.936 -6.092 428 HB ILE 53 HB ILE 53 0.392 6.998 -6.411 429 HG12 ILE 53 HG12 ILE 53 1.822 8.145 -7.980 430 HG13 ILE 53 HG13 ILE 53 0.446 7.518 -8.883 431 HG21 ILE 53 HG21 ILE 53 -1.825 8.706 -7.573 432 HG22 ILE 53 HG22 ILE 53 -1.996 7.698 -6.137 433 HG23 ILE 53 HG23 ILE 53 -1.664 6.955 -7.701 434 HD11 ILE 53 HD11 ILE 53 0.996 10.368 -8.049 435 HD12 ILE 53 HD12 ILE 53 -0.624 9.846 -8.507 436 HD13 ILE 53 HD13 ILE 53 0.698 9.740 -9.667 437 H LEU 54 H LEU 54 1.601 7.794 -4.019 438 HA LEU 54 HA LEU 54 -0.618 6.989 -2.350 439 HB2 LEU 54 HB2 LEU 54 2.266 7.179 -1.447 440 HB3 LEU 54 HB3 LEU 54 1.030 6.038 -0.925 441 HG LEU 54 HG LEU 54 2.319 6.158 -3.665 442 HD11 LEU 54 HD11 LEU 54 3.656 5.177 -1.769 443 HD12 LEU 54 HD12 LEU 54 3.298 4.032 -3.062 444 HD13 LEU 54 HD13 LEU 54 2.377 3.980 -1.559 445 HD21 LEU 54 HD21 LEU 54 0.054 5.484 -4.023 446 HD22 LEU 54 HD22 LEU 54 0.035 4.500 -2.560 447 HD23 LEU 54 HD23 LEU 54 0.975 3.986 -3.960 448 H TYR 55 H TYR 55 1.844 9.517 -2.109 449 HA TYR 55 HA TYR 55 0.910 10.617 0.385 450 HB2 TYR 55 HB2 TYR 55 2.610 11.626 -1.890 451 HB3 TYR 55 HB3 TYR 55 1.996 12.810 -0.740 452 HD1 TYR 55 HD1 TYR 55 2.209 12.032 1.820 453 HD2 TYR 55 HD2 TYR 55 4.718 10.671 -1.394 454 HE1 TYR 55 HE1 TYR 55 3.977 11.437 3.450 455 HE2 TYR 55 HE2 TYR 55 6.486 10.078 0.242 456 HH TYR 55 HH TYR 55 5.942 9.807 3.519 457 H ASN 56 H ASN 56 0.024 11.128 -2.981 458 HA ASN 56 HA ASN 56 -1.774 13.316 -2.493 459 HB2 ASN 56 HB2 ASN 56 -1.649 11.332 -4.779 460 HB3 ASN 56 HB3 ASN 56 -2.633 12.795 -4.772 461 HD21 ASN 56 HD21 ASN 56 0.351 11.624 -5.785 462 HD22 ASN 56 HD22 ASN 56 1.198 13.093 -5.869 463 H ASP 57 H ASP 57 -2.050 9.866 -2.099 464 HA ASP 57 HA ASP 57 -4.829 9.542 -2.456 465 HB2 ASP 57 HB2 ASP 57 -2.922 7.813 -1.806 466 HB3 ASP 57 HB3 ASP 57 -3.468 8.138 -0.164 467 H ILE 58 H ILE 58 -3.119 10.330 0.588 468 HA ILE 58 HA ILE 58 -5.705 11.179 1.795 469 HB ILE 58 HB ILE 58 -2.936 11.103 3.028 470 HG12 ILE 58 HG12 ILE 58 -5.201 9.096 3.284 471 HG13 ILE 58 HG13 ILE 58 -3.798 8.864 2.241 472 HG21 ILE 58 HG21 ILE 58 -4.249 11.131 5.155 473 HG22 ILE 58 HG22 ILE 58 -5.723 11.336 4.209 474 HG23 ILE 58 HG23 ILE 58 -4.487 12.592 4.199 475 HD11 ILE 58 HD11 ILE 58 -3.820 9.128 5.256 476 HD12 ILE 58 HD12 ILE 58 -2.345 9.191 4.294 477 HD13 ILE 58 HD13 ILE 58 -3.327 7.726 4.307 478 H TYR 59 H TYR 59 -2.573 12.516 0.822 479 HA TYR 59 HA TYR 59 -3.530 15.282 1.482 480 HB2 TYR 59 HB2 TYR 59 -0.751 14.392 0.671 481 HB3 TYR 59 HB3 TYR 59 -1.220 15.947 1.354 482 HD1 TYR 59 HD1 TYR 59 -1.850 16.158 3.719 483 HD2 TYR 59 HD2 TYR 59 -0.591 12.398 2.066 484 HE1 TYR 59 HE1 TYR 59 -1.544 15.254 6.008 485 HE2 TYR 59 HE2 TYR 59 -0.285 11.495 4.355 486 HH TYR 59 HH TYR 59 -0.790 13.543 7.221 487 H SER 60 H SER 60 -1.930 16.670 -0.278 488 HA SER 60 HA SER 60 -2.167 15.800 -3.010 489 HB2 SER 60 HB2 SER 60 -4.311 17.622 -1.898 490 HB3 SER 60 HB3 SER 60 -3.912 17.591 -3.614 491 HG SER 60 HG SER 60 -4.570 15.508 -3.730 492 H TRP 61 H TRP 61 -1.868 18.376 -0.644 493 HA TRP 61 HA TRP 61 -0.626 20.263 -2.489 494 HB2 TRP 61 HB2 TRP 61 -0.091 21.548 -0.440 495 HB3 TRP 61 HB3 TRP 61 -1.786 21.065 -0.470 496 HD1 TRP 61 HD1 TRP 61 -2.406 18.827 1.004 497 HE1 TRP 61 HE1 TRP 61 -1.420 18.034 3.251 498 HE3 TRP 61 HE3 TRP 61 1.949 21.489 1.041 499 HZ2 TRP 61 HZ2 TRP 61 0.910 18.474 4.852 500 HZ3 TRP 61 HZ3 TRP 61 3.532 21.285 2.937 501 HH2 TRP 61 HH2 TRP 61 3.018 19.781 4.840 502 H ASP 62 H ASP 62 1.000 18.815 -3.393 503 HA ASP 62 HA ASP 62 3.008 17.510 -1.851 504 HB2 ASP 62 HB2 ASP 62 4.314 17.487 -3.963 505 HB3 ASP 62 HB3 ASP 62 2.639 16.998 -4.223 506 H ASN 63 H ASN 63 4.974 19.241 -3.787 507 HA ASN 63 HA ASN 63 6.637 20.831 -3.307 508 HB2 ASN 63 HB2 ASN 63 4.392 22.231 -1.828 509 HB3 ASN 63 HB3 ASN 63 5.827 22.974 -2.535 510 HD21 ASN 63 HD21 ASN 63 2.605 22.654 -3.128 511 HD22 ASN 63 HD22 ASN 63 2.611 22.672 -4.826 512 H GLU 64 H GLU 64 5.755 18.695 -1.205 513 HA GLU 64 HA GLU 64 6.373 19.838 1.366 514 HB2 GLU 64 HB2 GLU 64 6.338 16.999 0.311 515 HB3 GLU 64 HB3 GLU 64 6.716 17.372 1.991 516 HG2 GLU 64 HG2 GLU 64 4.553 18.390 2.328 517 HG3 GLU 64 HG3 GLU 64 4.185 18.295 0.605 518 HA PRO 65 HA PRO 65 10.818 19.924 0.980 519 HB2 PRO 65 HB2 PRO 65 11.619 19.735 3.581 520 HB3 PRO 65 HB3 PRO 65 10.787 21.174 2.952 521 HG2 PRO 65 HG2 PRO 65 9.644 18.861 4.481 522 HG3 PRO 65 HG3 PRO 65 9.385 20.601 4.726 523 HD2 PRO 65 HD2 PRO 65 7.589 19.060 3.374 524 HD3 PRO 65 HD3 PRO 65 7.871 20.762 2.948 525 H ALA 66 H ALA 66 12.561 18.481 0.767 526 HA ALA 66 HA ALA 66 11.947 15.650 0.948 527 HB1 ALA 66 HB1 ALA 66 14.171 15.309 0.048 528 HB2 ALA 66 HB2 ALA 66 14.646 16.951 0.480 529 HB3 ALA 66 HB3 ALA 66 13.451 16.683 -0.790 530 H THR 67 H THR 67 12.480 17.681 3.383 531 HA THR 67 HA THR 67 14.638 16.625 4.890 532 HB THR 67 HB THR 67 11.993 17.692 5.927 533 HG1 THR 67 HG1 THR 67 12.733 19.436 5.037 534 HG21 THR 67 HG21 THR 67 14.719 17.332 7.197 535 HG22 THR 67 HG22 THR 67 13.202 16.582 7.694 536 HG23 THR 67 HG23 THR 67 13.437 18.318 7.901 537 H ASN 68 H ASN 68 14.803 14.863 6.285 538 HA ASN 68 HA ASN 68 13.126 12.591 5.784 539 HB2 ASN 68 HB2 ASN 68 14.353 11.589 7.739 540 HB3 ASN 68 HB3 ASN 68 15.419 12.270 6.509 541 HD21 ASN 68 HD21 ASN 68 14.129 12.788 9.777 542 HD22 ASN 68 HD22 ASN 68 15.240 13.996 10.210 543 H THR 69 H THR 69 11.072 12.350 6.524 544 HA THR 69 HA THR 69 10.429 12.745 9.324 545 HB THR 69 HB THR 69 8.990 14.559 7.372 546 HG1 THR 69 HG1 THR 69 11.204 15.143 7.635 547 HG21 THR 69 HG21 THR 69 9.158 14.681 10.389 548 HG22 THR 69 HG22 THR 69 7.885 13.806 9.540 549 HG23 THR 69 HG23 THR 69 8.045 15.550 9.334 550 H LEU 70 H LEU 70 8.380 13.114 6.435 551 HA LEU 70 HA LEU 70 6.533 11.101 7.377 552 HB2 LEU 70 HB2 LEU 70 6.716 12.067 4.515 553 HB3 LEU 70 HB3 LEU 70 5.289 11.546 5.410 554 HG LEU 70 HG LEU 70 6.901 14.065 5.915 555 HD11 LEU 70 HD11 LEU 70 4.100 13.590 4.852 556 HD12 LEU 70 HD12 LEU 70 5.472 14.217 3.939 557 HD13 LEU 70 HD13 LEU 70 4.771 15.174 5.244 558 HD21 LEU 70 HD21 LEU 70 6.104 13.315 8.046 559 HD22 LEU 70 HD22 LEU 70 4.552 12.814 7.371 560 HD23 LEU 70 HD23 LEU 70 4.944 14.528 7.512 561 H GLU 71 H GLU 71 9.268 11.094 5.137 562 HA GLU 71 HA GLU 71 8.787 8.566 3.921 563 HB2 GLU 71 HB2 GLU 71 10.520 10.181 3.157 564 HB3 GLU 71 HB3 GLU 71 11.459 9.825 4.606 565 HG2 GLU 71 HG2 GLU 71 11.736 7.519 3.948 566 HG3 GLU 71 HG3 GLU 71 10.611 7.717 2.604 567 H VAL 72 H VAL 72 10.265 9.440 7.010 568 HA VAL 72 HA VAL 72 11.135 6.731 7.589 569 HB VAL 72 HB VAL 72 10.605 8.990 9.528 570 HG11 VAL 72 HG11 VAL 72 12.326 7.787 10.881 571 HG12 VAL 72 HG12 VAL 72 12.347 6.510 9.665 572 HG13 VAL 72 HG13 VAL 72 10.883 6.812 10.601 573 HG21 VAL 72 HG21 VAL 72 13.078 8.295 7.916 574 HG22 VAL 72 HG22 VAL 72 13.077 9.414 9.279 575 HG23 VAL 72 HG23 VAL 72 12.144 9.788 7.832 576 H HIS 73 H HIS 73 8.301 8.693 8.346 577 HA HIS 73 HA HIS 73 7.039 6.844 10.121 578 HB2 HIS 73 HB2 HIS 73 5.789 8.754 8.111 579 HB3 HIS 73 HB3 HIS 73 4.911 7.935 9.403 580 HD1 HIS 73 HD1 HIS 73 4.647 10.769 9.831 581 HD2 HIS 73 HD2 HIS 73 8.166 8.848 10.982 582 HE1 HIS 73 HE1 HIS 73 5.760 12.273 11.542 583 HE2 HIS 73 HE2 HIS 73 7.902 11.113 12.247 584 H ILE 74 H ILE 74 7.108 7.163 6.609 585 HA ILE 74 HA ILE 74 5.298 5.024 6.048 586 HB ILE 74 HB ILE 74 7.539 6.241 4.420 587 HG12 ILE 74 HG12 ILE 74 4.524 6.306 4.080 588 HG13 ILE 74 HG13 ILE 74 5.435 7.546 4.940 589 HG21 ILE 74 HG21 ILE 74 5.617 4.004 3.709 590 HG22 ILE 74 HG22 ILE 74 7.375 3.997 3.575 591 HG23 ILE 74 HG23 ILE 74 6.415 4.986 2.481 592 HD11 ILE 74 HD11 ILE 74 5.893 6.745 2.058 593 HD12 ILE 74 HD12 ILE 74 6.721 8.036 2.925 594 HD13 ILE 74 HD13 ILE 74 4.997 8.171 2.582 595 H HIS 75 H HIS 75 8.712 5.087 6.855 596 HA HIS 75 HA HIS 75 9.145 2.294 6.154 597 HB2 HIS 75 HB2 HIS 75 10.668 4.118 8.048 598 HB3 HIS 75 HB3 HIS 75 11.217 2.528 7.514 599 HD1 HIS 75 HD1 HIS 75 10.011 3.079 4.523 600 HD2 HIS 75 HD2 HIS 75 12.813 5.376 6.589 601 HE1 HIS 75 HE1 HIS 75 11.309 4.372 2.772 602 HE2 HIS 75 HE2 HIS 75 13.017 5.773 4.019 603 H ASN 76 H ASN 76 7.745 4.009 8.790 604 HA ASN 76 HA ASN 76 7.999 1.862 10.739 605 HB2 ASN 76 HB2 ASN 76 7.721 4.316 11.302 606 HB3 ASN 76 HB3 ASN 76 6.042 4.169 10.782 607 HD21 ASN 76 HD21 ASN 76 6.064 4.835 13.335 608 HD22 ASN 76 HD22 ASN 76 5.874 3.514 14.383 609 H LEU 77 H LEU 77 5.342 3.062 8.643 610 HA LEU 77 HA LEU 77 3.540 0.967 9.609 611 HB2 LEU 77 HB2 LEU 77 1.997 1.696 7.877 612 HB3 LEU 77 HB3 LEU 77 2.645 3.077 8.746 613 HG LEU 77 HG LEU 77 4.449 2.933 6.686 614 HD11 LEU 77 HD11 LEU 77 3.046 1.033 5.670 615 HD12 LEU 77 HD12 LEU 77 3.385 2.393 4.610 616 HD13 LEU 77 HD13 LEU 77 1.804 2.243 5.374 617 HD21 LEU 77 HD21 LEU 77 3.019 4.709 5.573 618 HD22 LEU 77 HD22 LEU 77 3.299 4.978 7.296 619 HD23 LEU 77 HD23 LEU 77 1.755 4.332 6.744 620 H ARG 78 H ARG 78 5.490 1.436 6.689 621 HA ARG 78 HA ARG 78 4.709 -0.796 5.212 622 HB2 ARG 78 HB2 ARG 78 6.415 0.999 4.589 623 HB3 ARG 78 HB3 ARG 78 7.597 0.064 5.505 624 HG2 ARG 78 HG2 ARG 78 7.006 -1.931 4.086 625 HG3 ARG 78 HG3 ARG 78 6.013 -0.865 3.095 626 HD2 ARG 78 HD2 ARG 78 8.281 -1.166 2.132 627 HD3 ARG 78 HD3 ARG 78 7.970 0.514 2.569 628 HE ARG 78 HE ARG 78 9.203 -0.732 4.798 629 HH11 ARG 78 HH11 ARG 78 9.831 0.124 1.516 630 HH12 ARG 78 HH12 ARG 78 11.532 0.340 1.759 631 HH21 ARG 78 HH21 ARG 78 11.421 -0.454 5.131 632 HH22 ARG 78 HH22 ARG 78 12.432 0.012 3.805 633 H GLU 79 H GLU 79 7.165 -0.680 7.813 634 HA GLU 79 HA GLU 79 7.847 -3.461 7.655 635 HB2 GLU 79 HB2 GLU 79 8.039 -1.484 9.943 636 HB3 GLU 79 HB3 GLU 79 8.735 -3.104 9.983 637 HG2 GLU 79 HG2 GLU 79 9.375 -1.084 7.818 638 HG3 GLU 79 HG3 GLU 79 10.344 -1.271 9.281 639 H LYS 80 H LYS 80 5.029 -1.918 8.808 640 HA LYS 80 HA LYS 80 4.344 -3.941 10.796 641 HB2 LYS 80 HB2 LYS 80 3.578 -1.493 10.806 642 HB3 LYS 80 HB3 LYS 80 2.463 -1.945 9.521 643 HG2 LYS 80 HG2 LYS 80 1.107 -2.256 11.406 644 HG3 LYS 80 HG3 LYS 80 1.757 -3.879 11.195 645 HD2 LYS 80 HD2 LYS 80 3.463 -3.451 12.903 646 HD3 LYS 80 HD3 LYS 80 2.926 -1.779 13.055 647 HE2 LYS 80 HE2 LYS 80 1.181 -4.196 13.602 648 HE3 LYS 80 HE3 LYS 80 2.009 -3.258 14.846 649 HZ1 LYS 80 HZ1 LYS 80 0.593 -1.533 13.117 650 HZ2 LYS 80 HZ2 LYS 80 0.403 -1.754 14.788 651 HZ3 LYS 80 HZ3 LYS 80 -0.458 -2.735 13.700 652 H ILE 81 H ILE 81 3.410 -3.203 7.458 653 HA ILE 81 HA ILE 81 1.489 -5.391 7.314 654 HB ILE 81 HB ILE 81 1.624 -4.840 4.802 655 HG12 ILE 81 HG12 ILE 81 3.229 -2.498 5.851 656 HG13 ILE 81 HG13 ILE 81 3.933 -3.861 4.983 657 HG21 ILE 81 HG21 ILE 81 1.000 -2.529 6.668 658 HG22 ILE 81 HG22 ILE 81 -0.083 -3.891 6.388 659 HG23 ILE 81 HG23 ILE 81 0.321 -2.800 5.064 660 HD11 ILE 81 HD11 ILE 81 1.895 -1.875 3.952 661 HD12 ILE 81 HD12 ILE 81 2.303 -3.364 3.102 662 HD13 ILE 81 HD13 ILE 81 3.535 -2.131 3.361 663 H GLY 82 H GLY 82 4.888 -5.127 7.041 664 HA2 GLY 82 HA2 GLY 82 6.409 -6.941 6.775 665 HA3 GLY 82 HA3 GLY 82 5.073 -7.964 6.240 666 H LYS 83 H LYS 83 7.218 -5.364 5.253 667 HA LYS 83 HA LYS 83 6.526 -4.872 2.627 668 HB2 LYS 83 HB2 LYS 83 8.977 -4.575 2.171 669 HB3 LYS 83 HB3 LYS 83 8.429 -3.761 3.634 670 HG2 LYS 83 HG2 LYS 83 9.229 -5.651 4.998 671 HG3 LYS 83 HG3 LYS 83 9.775 -6.476 3.539 672 HD2 LYS 83 HD2 LYS 83 11.290 -4.571 3.050 673 HD3 LYS 83 HD3 LYS 83 10.776 -3.798 4.549 674 HE2 LYS 83 HE2 LYS 83 11.689 -5.590 5.876 675 HE3 LYS 83 HE3 LYS 83 11.994 -6.569 4.440 676 HZ1 LYS 83 HZ1 LYS 83 13.532 -4.822 3.679 677 HZ2 LYS 83 HZ2 LYS 83 14.024 -5.536 5.136 678 HZ3 LYS 83 HZ3 LYS 83 13.302 -3.998 5.147 679 H SER 84 H SER 84 7.512 -7.914 3.891 680 HA SER 84 HA SER 84 8.778 -9.179 1.744 681 HB2 SER 84 HB2 SER 84 8.331 -10.281 3.911 682 HB3 SER 84 HB3 SER 84 6.614 -10.341 3.526 683 HG SER 84 HG SER 84 7.728 -11.375 1.460 684 H ARG 85 H ARG 85 5.278 -8.663 2.224 685 HA ARG 85 HA ARG 85 4.604 -9.943 -0.317 686 HB2 ARG 85 HB2 ARG 85 2.323 -8.865 0.151 687 HB3 ARG 85 HB3 ARG 85 2.900 -10.030 1.341 688 HG2 ARG 85 HG2 ARG 85 3.433 -8.363 2.916 689 HG3 ARG 85 HG3 ARG 85 3.518 -7.093 1.698 690 HD2 ARG 85 HD2 ARG 85 0.927 -8.521 2.325 691 HD3 ARG 85 HD3 ARG 85 1.447 -7.094 3.221 692 HE ARG 85 HE ARG 85 1.635 -6.385 0.518 693 HH11 ARG 85 HH11 ARG 85 -0.751 -7.537 2.727 694 HH12 ARG 85 HH12 ARG 85 -2.064 -6.734 1.932 695 HH21 ARG 85 HH21 ARG 85 -0.067 -5.332 -0.530 696 HH22 ARG 85 HH22 ARG 85 -1.676 -5.485 0.089 697 H ILE 86 H ILE 86 6.294 -7.240 0.115 698 HA ILE 86 HA ILE 86 5.158 -5.927 -2.323 699 HB ILE 86 HB ILE 86 5.894 -4.560 0.290 700 HG12 ILE 86 HG12 ILE 86 3.369 -4.352 -1.378 701 HG13 ILE 86 HG13 ILE 86 3.551 -5.506 -0.061 702 HG21 ILE 86 HG21 ILE 86 5.311 -2.440 -1.042 703 HG22 ILE 86 HG22 ILE 86 5.492 -3.426 -2.492 704 HG23 ILE 86 HG23 ILE 86 6.864 -3.183 -1.413 705 HD11 ILE 86 HD11 ILE 86 3.806 -2.497 0.180 706 HD12 ILE 86 HD12 ILE 86 4.024 -3.648 1.499 707 HD13 ILE 86 HD13 ILE 86 2.442 -3.467 0.738 708 H ARG 87 H ARG 87 6.756 -4.634 -3.452 709 HA ARG 87 HA ARG 87 9.610 -5.070 -2.680 710 HB2 ARG 87 HB2 ARG 87 8.845 -6.879 -4.290 711 HB3 ARG 87 HB3 ARG 87 8.573 -5.604 -5.479 712 HG2 ARG 87 HG2 ARG 87 10.958 -4.901 -5.203 713 HG3 ARG 87 HG3 ARG 87 11.204 -6.279 -4.130 714 HD2 ARG 87 HD2 ARG 87 10.515 -7.809 -5.954 715 HD3 ARG 87 HD3 ARG 87 10.319 -6.423 -7.028 716 HE ARG 87 HE ARG 87 12.840 -7.660 -6.306 717 HH11 ARG 87 HH11 ARG 87 11.229 -4.711 -7.081 718 HH12 ARG 87 HH12 ARG 87 12.650 -3.946 -7.710 719 HH21 ARG 87 HH21 ARG 87 14.704 -6.678 -7.125 720 HH22 ARG 87 HH22 ARG 87 14.617 -5.059 -7.736 721 H THR 88 H THR 88 10.607 -3.125 -2.774 722 HA THR 88 HA THR 88 9.353 -0.902 -4.280 723 HB THR 88 HB THR 88 10.664 0.535 -2.967 724 HG1 THR 88 HG1 THR 88 12.702 0.098 -3.011 725 HG21 THR 88 HG21 THR 88 9.159 -0.984 -1.588 726 HG22 THR 88 HG22 THR 88 10.487 -0.229 -0.707 727 HG23 THR 88 HG23 THR 88 10.603 -1.919 -1.199 728 H VAL 89 H VAL 89 10.317 0.094 -6.055 729 HA VAL 89 HA VAL 89 12.564 -1.408 -7.337 730 HB VAL 89 HB VAL 89 10.498 -1.169 -8.647 731 HG11 VAL 89 HG11 VAL 89 9.923 1.095 -7.525 732 HG12 VAL 89 HG12 VAL 89 9.559 0.924 -9.240 733 HG13 VAL 89 HG13 VAL 89 10.990 1.817 -8.731 734 HG21 VAL 89 HG21 VAL 89 11.525 -0.376 -10.678 735 HG22 VAL 89 HG22 VAL 89 12.793 -1.135 -9.716 736 HG23 VAL 89 HG23 VAL 89 12.666 0.623 -9.778 737 H ARG 90 H ARG 90 14.541 -0.533 -7.330 738 HA ARG 90 HA ARG 90 16.254 1.016 -6.907 739 HB2 ARG 90 HB2 ARG 90 15.265 1.534 -9.258 740 HB3 ARG 90 HB3 ARG 90 14.547 2.949 -8.493 741 HG2 ARG 90 HG2 ARG 90 16.739 3.780 -7.848 742 HG3 ARG 90 HG3 ARG 90 17.513 2.299 -8.413 743 HD2 ARG 90 HD2 ARG 90 17.574 4.336 -9.997 744 HD3 ARG 90 HD3 ARG 90 17.064 2.794 -10.684 745 HE ARG 90 HE ARG 90 14.951 3.754 -11.065 746 HH11 ARG 90 HH11 ARG 90 16.699 5.446 -8.619 747 HH12 ARG 90 HH12 ARG 90 15.510 6.694 -8.449 748 HH21 ARG 90 HH21 ARG 90 13.392 5.374 -10.856 749 HH22 ARG 90 HH22 ARG 90 13.638 6.652 -9.714 750 H GLY 91 H GLY 91 14.002 1.021 -4.939 751 HA2 GLY 91 HA2 GLY 91 13.203 2.350 -3.166 752 HA3 GLY 91 HA3 GLY 91 14.795 3.107 -3.249 753 H PHE 92 H PHE 92 11.898 3.125 -5.344 754 HA PHE 92 HA PHE 92 11.800 6.086 -5.154 755 HB2 PHE 92 HB2 PHE 92 12.977 5.851 -7.195 756 HB3 PHE 92 HB3 PHE 92 12.087 4.400 -7.641 757 HD1 PHE 92 HD1 PHE 92 11.876 8.096 -7.326 758 HD2 PHE 92 HD2 PHE 92 9.961 4.531 -8.768 759 HE1 PHE 92 HE1 PHE 92 10.257 9.478 -8.601 760 HE2 PHE 92 HE2 PHE 92 8.346 5.912 -10.042 761 HZ PHE 92 HZ PHE 92 8.490 8.383 -9.958 762 H GLY 93 H GLY 93 10.097 3.533 -6.998 763 HA2 GLY 93 HA2 GLY 93 7.505 4.636 -5.984 764 HA3 GLY 93 HA3 GLY 93 7.707 3.633 -7.419 765 H TYR 94 H TYR 94 6.205 2.078 -6.734 766 HA TYR 94 HA TYR 94 7.270 0.104 -4.807 767 HB2 TYR 94 HB2 TYR 94 4.734 1.696 -4.411 768 HB3 TYR 94 HB3 TYR 94 4.804 0.033 -3.829 769 HD1 TYR 94 HD1 TYR 94 6.418 -0.633 -2.097 770 HD2 TYR 94 HD2 TYR 94 6.052 3.452 -3.364 771 HE1 TYR 94 HE1 TYR 94 7.669 0.096 -0.090 772 HE2 TYR 94 HE2 TYR 94 7.305 4.185 -1.358 773 HH TYR 94 HH TYR 94 8.883 1.903 0.763 774 H MET 95 H MET 95 6.114 -1.972 -5.036 775 HA MET 95 HA MET 95 4.160 -2.263 -7.191 776 HB2 MET 95 HB2 MET 95 6.352 -1.956 -8.407 777 HB3 MET 95 HB3 MET 95 6.909 -3.445 -7.648 778 HG2 MET 95 HG2 MET 95 5.026 -4.676 -8.653 779 HG3 MET 95 HG3 MET 95 4.449 -3.187 -9.403 780 HE1 MET 95 HE1 MET 95 7.261 -5.498 -8.791 781 HE2 MET 95 HE2 MET 95 8.206 -5.603 -10.281 782 HE3 MET 95 HE3 MET 95 6.622 -6.366 -10.183 783 H LEU 96 H LEU 96 2.935 -3.978 -6.685 784 HA LEU 96 HA LEU 96 3.897 -5.914 -4.646 785 HB2 LEU 96 HB2 LEU 96 1.216 -5.230 -5.867 786 HB3 LEU 96 HB3 LEU 96 1.421 -6.751 -4.999 787 HG LEU 96 HG LEU 96 2.128 -5.561 -2.992 788 HD11 LEU 96 HD11 LEU 96 1.899 -3.122 -4.771 789 HD12 LEU 96 HD12 LEU 96 3.320 -3.685 -3.891 790 HD13 LEU 96 HD13 LEU 96 1.947 -3.019 -3.011 791 HD21 LEU 96 HD21 LEU 96 -0.386 -4.453 -4.276 792 HD22 LEU 96 HD22 LEU 96 0.014 -4.252 -2.569 793 HD23 LEU 96 HD23 LEU 96 -0.261 -5.865 -3.227 794 H ALA 97 H ALA 97 4.485 -7.985 -5.160 795 HA ALA 97 HA ALA 97 5.085 -8.758 -7.812 796 HB1 ALA 97 HB1 ALA 97 6.005 -9.837 -5.744 797 HB2 ALA 97 HB2 ALA 97 5.408 -11.003 -6.925 798 HB3 ALA 97 HB3 ALA 97 4.442 -10.616 -5.502 799 H ASN 98 H ASN 98 3.898 -9.769 -9.411 800 HA ASN 98 HA ASN 98 1.101 -9.593 -9.507 801 HB2 ASN 98 HB2 ASN 98 2.907 -11.577 -10.919 802 HB3 ASN 98 HB3 ASN 98 1.230 -11.257 -11.359 803 HD21 ASN 98 HD21 ASN 98 0.719 -9.123 -12.277 804 HD22 ASN 98 HD22 ASN 98 1.944 -8.127 -12.897 805 H ASN 99 H ASN 99 2.679 -12.780 -9.411 806 HA ASN 99 HA ASN 99 1.115 -13.609 -7.070 807 HB2 ASN 99 HB2 ASN 99 0.535 -14.713 -9.834 808 HB3 ASN 99 HB3 ASN 99 0.014 -15.493 -8.341 809 HD21 ASN 99 HD21 ASN 99 -1.112 -13.728 -6.764 810 HD22 ASN 99 HD22 ASN 99 -2.270 -12.753 -7.532 811 H ILE 100 H ILE 100 3.898 -13.490 -7.560 812 HA ILE 100 HA ILE 100 4.836 -16.173 -8.279 813 HB ILE 100 HB ILE 100 6.495 -14.069 -6.866 814 HG12 ILE 100 HG12 ILE 100 5.697 -14.141 -9.795 815 HG13 ILE 100 HG13 ILE 100 5.317 -12.869 -8.636 816 HG21 ILE 100 HG21 ILE 100 7.231 -15.962 -9.118 817 HG22 ILE 100 HG22 ILE 100 7.369 -16.411 -7.420 818 HG23 ILE 100 HG23 ILE 100 8.321 -15.072 -8.055 819 HD11 ILE 100 HD11 ILE 100 7.189 -12.066 -9.876 820 HD12 ILE 100 HD12 ILE 100 8.028 -13.611 -9.749 821 HD13 ILE 100 HD13 ILE 100 7.840 -12.590 -8.323 822 H ASP 101 H ASP 101 3.318 -14.939 -5.640 823 HA ASP 101 HA ASP 101 4.858 -16.201 -3.514 824 HB2 ASP 101 HB2 ASP 101 3.282 -14.244 -3.198 825 HB3 ASP 101 HB3 ASP 101 1.945 -15.368 -3.447 826 H THR 102 H THR 102 2.228 -17.141 -5.639 827 HA THR 102 HA THR 102 1.261 -19.403 -4.224 828 HB THR 102 HB THR 102 0.535 -20.236 -6.444 829 HG1 THR 102 HG1 THR 102 1.524 -19.588 -8.169 830 HG21 THR 102 HG21 THR 102 -0.825 -18.527 -5.375 831 HG22 THR 102 HG22 THR 102 -0.761 -18.202 -7.107 832 HG23 THR 102 HG23 THR 102 0.227 -17.255 -5.995 833 H GLU 103 H GLU 103 2.899 -20.656 -3.296 834 HA GLU 103 HA GLU 103 4.657 -22.209 -3.209 835 HB2 GLU 103 HB2 GLU 103 3.837 -22.816 -6.062 836 HB3 GLU 103 HB3 GLU 103 4.634 -23.903 -4.926 837 HG2 GLU 103 HG2 GLU 103 2.647 -23.799 -3.449 838 HG3 GLU 103 HG3 GLU 103 1.844 -22.755 -4.622 Start of MODEL 6 1 H1 ASN 1 H1 ASN 1 -20.514 2.343 -4.078 2 H2 ASN 1 H2 ASN 1 -22.061 2.757 -4.645 3 H3 ASN 1 H3 ASN 1 -21.130 1.603 -5.473 4 HA ASN 1 HA ASN 1 -22.935 1.220 -3.337 5 HB2 ASN 1 HB2 ASN 1 -21.179 -0.638 -4.970 6 HB3 ASN 1 HB3 ASN 1 -22.495 -1.167 -3.920 7 HD21 ASN 1 HD21 ASN 1 -24.638 -1.004 -4.729 8 HD22 ASN 1 HD22 ASN 1 -25.018 -0.362 -6.254 9 H GLN 2 H GLN 2 -21.964 1.955 -1.374 10 HA GLN 2 HA GLN 2 -19.347 1.074 -0.527 11 HB2 GLN 2 HB2 GLN 2 -20.055 1.937 1.704 12 HB3 GLN 2 HB3 GLN 2 -20.345 3.101 0.410 13 HG2 GLN 2 HG2 GLN 2 -22.708 2.283 0.272 14 HG3 GLN 2 HG3 GLN 2 -22.394 1.257 1.671 15 HE21 GLN 2 HE21 GLN 2 -23.210 4.475 0.677 16 HE22 GLN 2 HE22 GLN 2 -23.148 5.193 2.214 17 H GLY 3 H GLY 3 -20.867 -1.156 -1.404 18 HA2 GLY 3 HA2 GLY 3 -20.602 -2.881 0.943 19 HA3 GLY 3 HA3 GLY 3 -22.265 -2.714 0.373 20 H ASP 4 H ASP 4 -19.786 -2.450 -2.012 21 HA ASP 4 HA ASP 4 -19.658 -5.283 -2.675 22 HB2 ASP 4 HB2 ASP 4 -21.962 -4.654 -3.451 23 HB3 ASP 4 HB3 ASP 4 -21.226 -3.472 -4.535 24 H ASN 5 H ASN 5 -17.397 -4.473 -2.497 25 HA ASN 5 HA ASN 5 -16.317 -3.849 -5.118 26 HB2 ASN 5 HB2 ASN 5 -17.007 -1.579 -4.387 27 HB3 ASN 5 HB3 ASN 5 -16.035 -1.766 -2.927 28 HD21 ASN 5 HD21 ASN 5 -15.453 0.325 -4.768 29 HD22 ASN 5 HD22 ASN 5 -13.968 -0.004 -5.520 30 H GLU 6 H GLU 6 -14.650 -5.290 -5.081 31 HA GLU 6 HA GLU 6 -12.574 -5.066 -3.036 32 HB2 GLU 6 HB2 GLU 6 -12.787 -7.315 -2.134 33 HB3 GLU 6 HB3 GLU 6 -14.317 -6.472 -1.916 34 HG2 GLU 6 HG2 GLU 6 -15.038 -8.534 -2.775 35 HG3 GLU 6 HG3 GLU 6 -14.953 -7.555 -4.236 36 H ILE 7 H ILE 7 -10.695 -6.385 -3.571 37 HA ILE 7 HA ILE 7 -10.733 -7.772 -6.203 38 HB ILE 7 HB ILE 7 -8.699 -6.520 -6.927 39 HG12 ILE 7 HG12 ILE 7 -9.380 -4.730 -4.568 40 HG13 ILE 7 HG13 ILE 7 -7.963 -5.776 -4.678 41 HG21 ILE 7 HG21 ILE 7 -11.012 -4.652 -6.344 42 HG22 ILE 7 HG22 ILE 7 -11.056 -5.884 -7.606 43 HG23 ILE 7 HG23 ILE 7 -9.882 -4.572 -7.696 44 HD11 ILE 7 HD11 ILE 7 -7.346 -4.533 -6.808 45 HD12 ILE 7 HD12 ILE 7 -7.238 -3.583 -5.326 46 HD13 ILE 7 HD13 ILE 7 -8.617 -3.378 -6.405 47 H SER 8 H SER 8 -8.677 -9.008 -6.525 48 HA SER 8 HA SER 8 -7.120 -9.524 -4.027 49 HB2 SER 8 HB2 SER 8 -8.399 -11.746 -5.642 50 HB3 SER 8 HB3 SER 8 -7.501 -11.900 -4.135 51 HG SER 8 HG SER 8 -10.110 -11.133 -4.597 52 H VAL 9 H VAL 9 -5.112 -10.517 -4.419 53 HA VAL 9 HA VAL 9 -4.289 -11.034 -7.213 54 HB VAL 9 HB VAL 9 -3.851 -8.666 -7.103 55 HG11 VAL 9 HG11 VAL 9 -2.144 -9.031 -4.631 56 HG12 VAL 9 HG12 VAL 9 -3.857 -8.643 -4.514 57 HG13 VAL 9 HG13 VAL 9 -2.761 -7.539 -5.333 58 HG21 VAL 9 HG21 VAL 9 -1.213 -10.023 -6.493 59 HG22 VAL 9 HG22 VAL 9 -1.492 -8.626 -7.532 60 HG23 VAL 9 HG23 VAL 9 -2.064 -10.219 -8.025 61 H GLY 10 H GLY 10 -3.758 -13.128 -6.716 62 HA2 GLY 10 HA2 GLY 10 -2.267 -14.816 -6.001 63 HA3 GLY 10 HA3 GLY 10 -1.301 -13.574 -5.202 64 H ASN 11 H ASN 11 -1.324 -13.681 -3.021 65 HA ASN 11 HA ASN 11 -3.578 -15.111 -1.653 66 HB2 ASN 11 HB2 ASN 11 -0.744 -14.464 -0.793 67 HB3 ASN 11 HB3 ASN 11 -1.955 -15.177 0.275 68 HD21 ASN 11 HD21 ASN 11 -1.487 -17.378 0.436 69 HD22 ASN 11 HD22 ASN 11 -1.106 -18.388 -0.873 70 H LEU 12 H LEU 12 -2.915 -12.032 -2.499 71 HA LEU 12 HA LEU 12 -3.575 -10.807 0.144 72 HB2 LEU 12 HB2 LEU 12 -2.974 -9.309 -2.416 73 HB3 LEU 12 HB3 LEU 12 -2.782 -8.764 -0.750 74 HG LEU 12 HG LEU 12 -1.137 -10.895 -2.147 75 HD11 LEU 12 HD11 LEU 12 0.697 -9.292 -1.860 76 HD12 LEU 12 HD12 LEU 12 -0.396 -8.160 -1.062 77 HD13 LEU 12 HD13 LEU 12 -0.620 -8.548 -2.769 78 HD21 LEU 12 HD21 LEU 12 0.211 -10.744 0.025 79 HD22 LEU 12 HD22 LEU 12 -1.343 -11.569 0.145 80 HD23 LEU 12 HD23 LEU 12 -1.179 -9.909 0.720 81 H ARG 13 H ARG 13 -5.658 -10.350 0.551 82 HA ARG 13 HA ARG 13 -7.557 -9.925 -1.747 83 HB2 ARG 13 HB2 ARG 13 -8.147 -10.921 1.052 84 HB3 ARG 13 HB3 ARG 13 -9.320 -10.721 -0.247 85 HG2 ARG 13 HG2 ARG 13 -8.052 -12.364 -1.613 86 HG3 ARG 13 HG3 ARG 13 -6.941 -12.600 -0.264 87 HD2 ARG 13 HD2 ARG 13 -9.927 -13.136 -0.220 88 HD3 ARG 13 HD3 ARG 13 -8.657 -14.360 -0.270 89 HE ARG 13 HE ARG 13 -8.292 -12.606 1.993 90 HH11 ARG 13 HH11 ARG 13 -10.167 -15.207 0.721 91 HH12 ARG 13 HH12 ARG 13 -10.547 -15.868 2.277 92 HH21 ARG 13 HH21 ARG 13 -8.777 -13.456 4.030 93 HH22 ARG 13 HH22 ARG 13 -9.760 -14.877 4.149 94 H LEU 14 H LEU 14 -8.604 -7.976 -1.794 95 HA LEU 14 HA LEU 14 -8.366 -6.168 0.597 96 HB2 LEU 14 HB2 LEU 14 -6.807 -5.543 -1.219 97 HB3 LEU 14 HB3 LEU 14 -8.158 -5.430 -2.340 98 HG LEU 14 HG LEU 14 -8.469 -3.837 0.173 99 HD11 LEU 14 HD11 LEU 14 -7.009 -2.017 -0.564 100 HD12 LEU 14 HD12 LEU 14 -6.482 -2.974 -1.948 101 HD13 LEU 14 HD13 LEU 14 -6.062 -3.483 -0.313 102 HD21 LEU 14 HD21 LEU 14 -8.853 -3.220 -2.777 103 HD22 LEU 14 HD22 LEU 14 -9.265 -2.124 -1.459 104 HD23 LEU 14 HD23 LEU 14 -10.119 -3.654 -1.631 105 H ASN 15 H ASN 15 -10.282 -5.437 1.307 106 HA ASN 15 HA ASN 15 -12.660 -5.477 -0.548 107 HB2 ASN 15 HB2 ASN 15 -12.433 -6.168 2.392 108 HB3 ASN 15 HB3 ASN 15 -13.979 -5.817 1.622 109 HD21 ASN 15 HD21 ASN 15 -14.733 -8.040 1.884 110 HD22 ASN 15 HD22 ASN 15 -14.090 -9.305 0.952 111 H VAL 16 H VAL 16 -12.854 -3.334 -1.098 112 HA VAL 16 HA VAL 16 -12.235 -1.147 0.676 113 HB VAL 16 HB VAL 16 -13.996 -1.189 -1.792 114 HG11 VAL 16 HG11 VAL 16 -12.680 1.045 -0.224 115 HG12 VAL 16 HG12 VAL 16 -14.401 0.827 -0.540 116 HG13 VAL 16 HG13 VAL 16 -13.310 1.256 -1.858 117 HG21 VAL 16 HG21 VAL 16 -11.046 -0.556 -1.456 118 HG22 VAL 16 HG22 VAL 16 -11.958 -0.416 -2.959 119 HG23 VAL 16 HG23 VAL 16 -11.703 -2.000 -2.227 120 H THR 17 H THR 17 -15.130 -3.023 0.028 121 HA THR 17 HA THR 17 -16.999 -1.220 1.234 122 HB THR 17 HB THR 17 -18.156 -2.865 0.073 123 HG1 THR 17 HG1 THR 17 -17.958 -4.398 2.410 124 HG21 THR 17 HG21 THR 17 -17.446 -5.320 0.219 125 HG22 THR 17 HG22 THR 17 -15.991 -4.744 1.027 126 HG23 THR 17 HG23 THR 17 -16.342 -4.234 -0.620 127 H ARG 18 H ARG 18 -15.385 -4.123 2.580 128 HA ARG 18 HA ARG 18 -16.222 -3.380 5.306 129 HB2 ARG 18 HB2 ARG 18 -14.281 -5.548 4.440 130 HB3 ARG 18 HB3 ARG 18 -15.110 -5.417 5.991 131 HG2 ARG 18 HG2 ARG 18 -17.270 -5.760 4.921 132 HG3 ARG 18 HG3 ARG 18 -16.518 -5.754 3.327 133 HD2 ARG 18 HD2 ARG 18 -16.848 -8.049 3.887 134 HD3 ARG 18 HD3 ARG 18 -15.129 -7.743 4.108 135 HE ARG 18 HE ARG 18 -17.110 -8.229 6.256 136 HH11 ARG 18 HH11 ARG 18 -13.914 -7.270 5.323 137 HH12 ARG 18 HH12 ARG 18 -13.234 -7.586 6.882 138 HH21 ARG 18 HH21 ARG 18 -16.222 -8.635 8.282 139 HH22 ARG 18 HH22 ARG 18 -14.534 -8.354 8.552 140 H ARG 19 H ARG 19 -13.645 -2.766 3.160 141 HA ARG 19 HA ARG 19 -11.631 -1.617 3.402 142 HB2 ARG 19 HB2 ARG 19 -13.296 -0.053 4.618 143 HB3 ARG 19 HB3 ARG 19 -12.645 -0.719 6.112 144 HG2 ARG 19 HG2 ARG 19 -11.239 1.125 5.839 145 HG3 ARG 19 HG3 ARG 19 -10.298 -0.106 5.003 146 HD2 ARG 19 HD2 ARG 19 -10.442 1.958 3.661 147 HD3 ARG 19 HD3 ARG 19 -11.265 0.633 2.843 148 HE ARG 19 HE ARG 19 -13.206 1.970 4.403 149 HH11 ARG 19 HH11 ARG 19 -11.059 2.539 1.767 150 HH12 ARG 19 HH12 ARG 19 -12.081 3.719 1.015 151 HH21 ARG 19 HH21 ARG 19 -14.553 3.508 3.437 152 HH22 ARG 19 HH22 ARG 19 -14.058 4.268 1.962 153 H LEU 20 H LEU 20 -10.704 -3.846 3.663 154 HA LEU 20 HA LEU 20 -8.956 -3.944 5.939 155 HB2 LEU 20 HB2 LEU 20 -10.908 -4.758 7.123 156 HB3 LEU 20 HB3 LEU 20 -11.272 -5.899 5.833 157 HG LEU 20 HG LEU 20 -9.283 -7.197 6.336 158 HD11 LEU 20 HD11 LEU 20 -8.654 -4.883 8.183 159 HD12 LEU 20 HD12 LEU 20 -7.632 -5.606 6.942 160 HD13 LEU 20 HD13 LEU 20 -7.940 -6.475 8.440 161 HD21 LEU 20 HD21 LEU 20 -11.281 -7.650 7.692 162 HD22 LEU 20 HD22 LEU 20 -10.781 -6.427 8.860 163 HD23 LEU 20 HD23 LEU 20 -9.823 -7.894 8.653 164 H VAL 21 H VAL 21 -7.133 -4.927 5.187 165 HA VAL 21 HA VAL 21 -7.337 -6.659 2.751 166 HB VAL 21 HB VAL 21 -4.912 -5.289 3.948 167 HG11 VAL 21 HG11 VAL 21 -5.418 -6.729 1.328 168 HG12 VAL 21 HG12 VAL 21 -4.301 -7.212 2.606 169 HG13 VAL 21 HG13 VAL 21 -3.982 -5.760 1.656 170 HG21 VAL 21 HG21 VAL 21 -6.789 -4.497 1.704 171 HG22 VAL 21 HG22 VAL 21 -5.202 -3.766 1.946 172 HG23 VAL 21 HG23 VAL 21 -6.450 -3.594 3.179 173 H TRP 22 H TRP 22 -6.619 -8.770 2.819 174 HA TRP 22 HA TRP 22 -5.688 -9.821 5.473 175 HB2 TRP 22 HB2 TRP 22 -7.014 -11.181 3.109 176 HB3 TRP 22 HB3 TRP 22 -6.373 -12.045 4.504 177 HD1 TRP 22 HD1 TRP 22 -7.730 -11.985 6.724 178 HE1 TRP 22 HE1 TRP 22 -10.054 -11.070 7.363 179 HE3 TRP 22 HE3 TRP 22 -8.751 -9.204 2.569 180 HZ2 TRP 22 HZ2 TRP 22 -12.079 -9.377 6.255 181 HZ3 TRP 22 HZ3 TRP 22 -10.875 -7.952 2.386 182 HH2 TRP 22 HH2 TRP 22 -12.543 -8.033 4.220 183 H LEU 23 H LEU 23 -3.786 -10.967 5.594 184 HA LEU 23 HA LEU 23 -2.064 -11.090 3.127 185 HB2 LEU 23 HB2 LEU 23 -1.308 -9.453 4.848 186 HB3 LEU 23 HB3 LEU 23 -1.254 -10.746 6.036 187 HG LEU 23 HG LEU 23 0.408 -11.932 4.519 188 HD11 LEU 23 HD11 LEU 23 0.125 -9.311 3.031 189 HD12 LEU 23 HD12 LEU 23 0.159 -10.951 2.389 190 HD13 LEU 23 HD13 LEU 23 1.638 -10.209 2.982 191 HD21 LEU 23 HD21 LEU 23 2.290 -10.528 5.260 192 HD22 LEU 23 HD22 LEU 23 1.073 -10.641 6.532 193 HD23 LEU 23 HD23 LEU 23 1.188 -9.183 5.547 194 H GLY 24 H GLY 24 -2.364 -13.249 2.539 195 HA2 GLY 24 HA2 GLY 24 -2.010 -15.578 2.713 196 HA3 GLY 24 HA3 GLY 24 -1.187 -15.281 4.250 197 H GLU 25 H GLU 25 -4.459 -14.443 3.227 198 HA GLU 25 HA GLU 25 -6.555 -14.971 4.102 199 HB2 GLU 25 HB2 GLU 25 -5.284 -17.353 5.470 200 HB3 GLU 25 HB3 GLU 25 -6.954 -17.153 4.950 201 HG2 GLU 25 HG2 GLU 25 -6.072 -16.969 2.567 202 HG3 GLU 25 HG3 GLU 25 -4.511 -17.498 3.195 203 H THR 26 H THR 26 -3.948 -14.044 5.941 204 HA THR 26 HA THR 26 -5.455 -14.070 8.528 205 HB THR 26 HB THR 26 -3.390 -13.420 9.583 206 HG1 THR 26 HG1 THR 26 -1.807 -12.542 8.506 207 HG21 THR 26 HG21 THR 26 -2.085 -15.360 9.189 208 HG22 THR 26 HG22 THR 26 -2.567 -15.439 7.498 209 HG23 THR 26 HG23 THR 26 -3.726 -15.844 8.764 210 H ALA 27 H ALA 27 -6.169 -12.178 9.484 211 HA ALA 27 HA ALA 27 -6.672 -9.916 7.814 212 HB1 ALA 27 HB1 ALA 27 -6.724 -10.172 10.836 213 HB2 ALA 27 HB2 ALA 27 -8.087 -10.409 9.742 214 HB3 ALA 27 HB3 ALA 27 -7.379 -8.805 9.935 215 H LEU 28 H LEU 28 -5.052 -8.648 7.049 216 HA LEU 28 HA LEU 28 -2.534 -8.299 8.420 217 HB2 LEU 28 HB2 LEU 28 -2.924 -8.148 5.916 218 HB3 LEU 28 HB3 LEU 28 -3.718 -6.608 6.194 219 HG LEU 28 HG LEU 28 -1.656 -5.663 7.111 220 HD11 LEU 28 HD11 LEU 28 -0.412 -7.318 8.174 221 HD12 LEU 28 HD12 LEU 28 0.480 -7.203 6.662 222 HD13 LEU 28 HD13 LEU 28 -0.685 -8.504 6.900 223 HD21 LEU 28 HD21 LEU 28 -1.914 -5.408 4.741 224 HD22 LEU 28 HD22 LEU 28 -1.418 -7.073 4.436 225 HD23 LEU 28 HD23 LEU 28 -0.239 -5.891 4.993 226 H ASP 29 H ASP 29 -1.984 -6.708 9.896 227 HA ASP 29 HA ASP 29 -4.153 -4.902 10.807 228 HB2 ASP 29 HB2 ASP 29 -1.374 -5.232 11.951 229 HB3 ASP 29 HB3 ASP 29 -2.779 -4.511 12.736 230 H LEU 30 H LEU 30 -4.220 -3.304 9.220 231 HA LEU 30 HA LEU 30 -1.846 -1.473 9.091 232 HB2 LEU 30 HB2 LEU 30 -2.233 -1.068 6.769 233 HB3 LEU 30 HB3 LEU 30 -2.233 -2.812 6.969 234 HG LEU 30 HG LEU 30 -4.701 -1.048 6.734 235 HD11 LEU 30 HD11 LEU 30 -3.543 -1.301 4.621 236 HD12 LEU 30 HD12 LEU 30 -4.989 -2.312 4.603 237 HD13 LEU 30 HD13 LEU 30 -3.405 -3.043 4.863 238 HD21 LEU 30 HD21 LEU 30 -5.451 -2.836 8.070 239 HD22 LEU 30 HD22 LEU 30 -4.315 -3.981 7.360 240 HD23 LEU 30 HD23 LEU 30 -5.738 -3.466 6.456 241 H THR 31 H THR 31 -2.302 0.660 9.504 242 HA THR 31 HA THR 31 -4.809 1.340 10.667 243 HB THR 31 HB THR 31 -3.918 3.498 10.983 244 HG1 THR 31 HG1 THR 31 -3.515 4.313 9.064 245 HG21 THR 31 HG21 THR 31 -1.394 1.929 10.443 246 HG22 THR 31 HG22 THR 31 -2.428 1.595 11.832 247 HG23 THR 31 HG23 THR 31 -1.660 3.174 11.662 248 HA PRO 32 HA PRO 32 -7.589 2.280 7.302 249 HB2 PRO 32 HB2 PRO 32 -7.726 5.063 8.465 250 HB3 PRO 32 HB3 PRO 32 -9.051 4.006 7.927 251 HG2 PRO 32 HG2 PRO 32 -8.502 4.281 10.513 252 HG3 PRO 32 HG3 PRO 32 -8.966 2.704 9.843 253 HD2 PRO 32 HD2 PRO 32 -6.269 3.632 10.755 254 HD3 PRO 32 HD3 PRO 32 -6.957 1.993 10.729 255 H LYS 33 H LYS 33 -5.411 5.032 8.034 256 HA LYS 33 HA LYS 33 -5.388 6.228 5.487 257 HB2 LYS 33 HB2 LYS 33 -3.172 5.977 7.540 258 HB3 LYS 33 HB3 LYS 33 -3.058 7.000 6.109 259 HG2 LYS 33 HG2 LYS 33 -5.150 8.168 6.837 260 HG3 LYS 33 HG3 LYS 33 -5.119 7.216 8.323 261 HD2 LYS 33 HD2 LYS 33 -2.947 8.153 8.924 262 HD3 LYS 33 HD3 LYS 33 -2.875 9.034 7.398 263 HE2 LYS 33 HE2 LYS 33 -5.005 10.209 8.071 264 HE3 LYS 33 HE3 LYS 33 -4.849 9.453 9.657 265 HZ1 LYS 33 HZ1 LYS 33 -3.614 11.772 8.746 266 HZ2 LYS 33 HZ2 LYS 33 -2.391 10.612 8.928 267 HZ3 LYS 33 HZ3 LYS 33 -3.397 10.996 10.242 268 H GLU 34 H GLU 34 -3.252 3.641 6.722 269 HA GLU 34 HA GLU 34 -1.693 3.289 4.394 270 HB2 GLU 34 HB2 GLU 34 -2.667 1.208 6.368 271 HB3 GLU 34 HB3 GLU 34 -1.366 0.958 5.203 272 HG2 GLU 34 HG2 GLU 34 -0.152 2.894 6.220 273 HG3 GLU 34 HG3 GLU 34 -1.413 2.996 7.445 274 H TYR 35 H TYR 35 -4.826 1.808 5.261 275 HA TYR 35 HA TYR 35 -5.166 0.091 3.077 276 HB2 TYR 35 HB2 TYR 35 -6.760 0.423 5.028 277 HB3 TYR 35 HB3 TYR 35 -7.368 1.851 4.189 278 HD1 TYR 35 HD1 TYR 35 -8.367 1.606 1.878 279 HD2 TYR 35 HD2 TYR 35 -7.418 -1.778 4.348 280 HE1 TYR 35 HE1 TYR 35 -9.824 0.169 0.471 281 HE2 TYR 35 HE2 TYR 35 -8.873 -3.212 2.938 282 HH TYR 35 HH TYR 35 -10.603 -3.108 1.391 283 H ALA 36 H ALA 36 -5.367 3.597 3.167 284 HA ALA 36 HA ALA 36 -6.630 3.884 0.576 285 HB1 ALA 36 HB1 ALA 36 -6.577 5.693 2.306 286 HB2 ALA 36 HB2 ALA 36 -5.984 6.229 0.734 287 HB3 ALA 36 HB3 ALA 36 -4.845 5.861 2.028 288 H LEU 37 H LEU 37 -3.227 4.137 1.667 289 HA LEU 37 HA LEU 37 -2.111 4.586 -0.913 290 HB2 LEU 37 HB2 LEU 37 -0.971 3.261 1.559 291 HB3 LEU 37 HB3 LEU 37 -0.022 3.527 0.101 292 HG LEU 37 HG LEU 37 -0.581 5.961 0.251 293 HD11 LEU 37 HD11 LEU 37 -2.540 6.095 1.556 294 HD12 LEU 37 HD12 LEU 37 -1.290 6.674 2.649 295 HD13 LEU 37 HD13 LEU 37 -1.899 5.028 2.802 296 HD21 LEU 37 HD21 LEU 37 0.771 4.838 2.722 297 HD22 LEU 37 HD22 LEU 37 1.051 6.422 1.998 298 HD23 LEU 37 HD23 LEU 37 1.543 4.962 1.141 299 H LEU 38 H LEU 38 -2.769 1.548 0.847 300 HA LEU 38 HA LEU 38 -1.711 -0.219 -1.116 301 HB2 LEU 38 HB2 LEU 38 -3.798 -0.467 1.038 302 HB3 LEU 38 HB3 LEU 38 -3.681 -1.764 -0.147 303 HG LEU 38 HG LEU 38 -1.207 -1.907 0.389 304 HD11 LEU 38 HD11 LEU 38 -0.469 -0.896 2.514 305 HD12 LEU 38 HD12 LEU 38 -2.041 -0.120 2.694 306 HD13 LEU 38 HD13 LEU 38 -0.972 0.349 1.372 307 HD21 LEU 38 HD21 LEU 38 -2.679 -3.550 1.335 308 HD22 LEU 38 HD22 LEU 38 -3.285 -2.407 2.533 309 HD23 LEU 38 HD23 LEU 38 -1.630 -3.006 2.644 310 H SER 39 H SER 39 -4.924 1.254 -0.817 311 HA SER 39 HA SER 39 -6.260 -0.052 -2.900 312 HB2 SER 39 HB2 SER 39 -6.435 2.929 -2.400 313 HB3 SER 39 HB3 SER 39 -7.688 1.876 -3.049 314 HG SER 39 HG SER 39 -6.879 2.302 -0.450 315 H ARG 40 H ARG 40 -3.865 2.575 -3.112 316 HA ARG 40 HA ARG 40 -4.194 2.807 -6.017 317 HB2 ARG 40 HB2 ARG 40 -3.420 4.655 -4.382 318 HB3 ARG 40 HB3 ARG 40 -1.857 3.845 -4.400 319 HG2 ARG 40 HG2 ARG 40 -1.560 5.381 -6.141 320 HG3 ARG 40 HG3 ARG 40 -2.145 3.985 -7.043 321 HD2 ARG 40 HD2 ARG 40 -3.333 6.024 -7.741 322 HD3 ARG 40 HD3 ARG 40 -4.452 4.919 -6.951 323 HE ARG 40 HE ARG 40 -3.492 6.601 -4.923 324 HH11 ARG 40 HH11 ARG 40 -5.146 6.848 -7.940 325 HH12 ARG 40 HH12 ARG 40 -6.034 8.265 -7.488 326 HH21 ARG 40 HH21 ARG 40 -4.645 8.449 -4.316 327 HH22 ARG 40 HH22 ARG 40 -5.751 9.170 -5.437 328 H LEU 41 H LEU 41 -1.767 1.378 -3.824 329 HA LEU 41 HA LEU 41 0.053 0.540 -5.833 330 HB2 LEU 41 HB2 LEU 41 -0.609 -0.680 -3.146 331 HB3 LEU 41 HB3 LEU 41 0.727 -1.226 -4.148 332 HG LEU 41 HG LEU 41 0.446 1.685 -3.354 333 HD11 LEU 41 HD11 LEU 41 2.156 1.103 -1.541 334 HD12 LEU 41 HD12 LEU 41 1.707 -0.585 -1.795 335 HD13 LEU 41 HD13 LEU 41 0.502 0.575 -1.238 336 HD21 LEU 41 HD21 LEU 41 2.070 1.365 -5.098 337 HD22 LEU 41 HD22 LEU 41 2.729 -0.074 -4.322 338 HD23 LEU 41 HD23 LEU 41 2.993 1.513 -3.612 339 H MET 42 H MET 42 -2.672 -1.273 -4.375 340 HA MET 42 HA MET 42 -2.284 -3.579 -6.043 341 HB2 MET 42 HB2 MET 42 -4.716 -2.559 -4.552 342 HB3 MET 42 HB3 MET 42 -4.659 -4.117 -5.376 343 HG2 MET 42 HG2 MET 42 -2.637 -4.696 -3.992 344 HG3 MET 42 HG3 MET 42 -2.896 -3.206 -3.086 345 HE1 MET 42 HE1 MET 42 -2.610 -5.182 -1.348 346 HE2 MET 42 HE2 MET 42 -3.077 -6.633 -2.244 347 HE3 MET 42 HE3 MET 42 -3.938 -6.187 -0.774 348 H MET 43 H MET 43 -4.157 -0.613 -6.426 349 HA MET 43 HA MET 43 -5.726 -1.350 -8.657 350 HB2 MET 43 HB2 MET 43 -5.978 0.808 -7.466 351 HB3 MET 43 HB3 MET 43 -4.424 1.338 -8.113 352 HG2 MET 43 HG2 MET 43 -5.253 1.275 -10.372 353 HG3 MET 43 HG3 MET 43 -6.744 0.481 -9.861 354 HE1 MET 43 HE1 MET 43 -7.896 3.960 -11.056 355 HE2 MET 43 HE2 MET 43 -8.501 2.311 -10.847 356 HE3 MET 43 HE3 MET 43 -6.970 2.594 -11.671 357 H LYS 44 H LYS 44 -2.338 -0.568 -8.379 358 HA LYS 44 HA LYS 44 -1.971 -0.935 -11.342 359 HB2 LYS 44 HB2 LYS 44 -0.423 0.655 -9.282 360 HB3 LYS 44 HB3 LYS 44 0.218 0.308 -10.885 361 HG2 LYS 44 HG2 LYS 44 -2.520 1.566 -10.599 362 HG3 LYS 44 HG3 LYS 44 -1.079 2.568 -10.475 363 HD2 LYS 44 HD2 LYS 44 -0.334 1.673 -12.709 364 HD3 LYS 44 HD3 LYS 44 -1.890 0.853 -12.843 365 HE2 LYS 44 HE2 LYS 44 -3.049 3.025 -12.620 366 HE3 LYS 44 HE3 LYS 44 -1.488 3.839 -12.516 367 HZ1 LYS 44 HZ1 LYS 44 -2.888 2.926 -14.815 368 HZ2 LYS 44 HZ2 LYS 44 -1.335 2.249 -14.750 369 HZ3 LYS 44 HZ3 LYS 44 -1.526 3.936 -14.716 370 H ALA 45 H ALA 45 -2.187 -3.166 -9.554 371 HA ALA 45 HA ALA 45 0.395 -4.076 -8.686 372 HB1 ALA 45 HB1 ALA 45 -1.563 -5.091 -7.724 373 HB2 ALA 45 HB2 ALA 45 -0.740 -6.342 -8.655 374 HB3 ALA 45 HB3 ALA 45 -2.173 -5.552 -9.313 375 H GLY 46 H GLY 46 1.991 -4.139 -10.245 376 HA2 GLY 46 HA2 GLY 46 2.737 -6.036 -11.891 377 HA3 GLY 46 HA3 GLY 46 1.401 -5.439 -12.880 378 H SER 47 H SER 47 2.217 -2.706 -11.552 379 HA SER 47 HA SER 47 4.552 -2.101 -13.345 380 HB2 SER 47 HB2 SER 47 1.889 -0.691 -13.129 381 HB3 SER 47 HB3 SER 47 3.316 0.154 -13.719 382 HG SER 47 HG SER 47 3.480 -1.341 -15.368 383 HA PRO 48 HA PRO 48 6.070 -0.096 -9.682 384 HB2 PRO 48 HB2 PRO 48 7.761 1.788 -10.710 385 HB3 PRO 48 HB3 PRO 48 8.119 0.050 -10.791 386 HG2 PRO 48 HG2 PRO 48 6.936 1.828 -12.897 387 HG3 PRO 48 HG3 PRO 48 8.227 0.619 -13.049 388 HD2 PRO 48 HD2 PRO 48 5.660 0.065 -13.767 389 HD3 PRO 48 HD3 PRO 48 6.726 -1.179 -13.078 390 H VAL 49 H VAL 49 4.822 1.229 -8.431 391 HA VAL 49 HA VAL 49 3.421 3.522 -9.649 392 HB VAL 49 HB VAL 49 3.321 2.330 -6.866 393 HG11 VAL 49 HG11 VAL 49 2.718 4.645 -6.673 394 HG12 VAL 49 HG12 VAL 49 1.203 3.745 -6.727 395 HG13 VAL 49 HG13 VAL 49 1.777 4.590 -8.164 396 HG21 VAL 49 HG21 VAL 49 1.018 1.643 -7.682 397 HG22 VAL 49 HG22 VAL 49 2.360 0.820 -8.475 398 HG23 VAL 49 HG23 VAL 49 1.523 2.137 -9.298 399 H HIS 50 H HIS 50 4.035 5.634 -9.320 400 HA HIS 50 HA HIS 50 6.603 6.208 -8.170 401 HB2 HIS 50 HB2 HIS 50 5.275 7.568 -9.934 402 HB3 HIS 50 HB3 HIS 50 4.402 8.254 -8.569 403 HD1 HIS 50 HD1 HIS 50 5.902 10.313 -10.004 404 HD2 HIS 50 HD2 HIS 50 7.816 7.939 -7.156 405 HE1 HIS 50 HE1 HIS 50 7.971 11.583 -9.279 406 HE2 HIS 50 HE2 HIS 50 9.139 10.148 -7.546 407 H ARG 51 H ARG 51 7.059 6.353 -6.024 408 HA ARG 51 HA ARG 51 5.252 5.928 -3.941 409 HB2 ARG 51 HB2 ARG 51 6.974 7.059 -2.461 410 HB3 ARG 51 HB3 ARG 51 7.599 5.760 -3.476 411 HG2 ARG 51 HG2 ARG 51 8.568 7.292 -5.023 412 HG3 ARG 51 HG3 ARG 51 7.681 8.658 -4.349 413 HD2 ARG 51 HD2 ARG 51 8.952 8.513 -2.276 414 HD3 ARG 51 HD3 ARG 51 9.768 7.056 -2.841 415 HE ARG 51 HE ARG 51 10.171 9.239 -4.686 416 HH11 ARG 51 HH11 ARG 51 11.077 7.928 -1.629 417 HH12 ARG 51 HH12 ARG 51 12.656 8.640 -1.641 418 HH21 ARG 51 HH21 ARG 51 12.228 10.176 -4.720 419 HH22 ARG 51 HH22 ARG 51 13.308 9.913 -3.391 420 H GLU 52 H GLU 52 5.627 8.730 -5.852 421 HA GLU 52 HA GLU 52 4.791 10.723 -3.970 422 HB2 GLU 52 HB2 GLU 52 4.545 10.575 -6.985 423 HB3 GLU 52 HB3 GLU 52 4.127 12.005 -6.041 424 HG2 GLU 52 HG2 GLU 52 6.842 10.668 -5.899 425 HG3 GLU 52 HG3 GLU 52 6.481 12.002 -6.994 426 H ILE 53 H ILE 53 2.901 8.854 -6.400 427 HA ILE 53 HA ILE 53 0.374 9.948 -5.759 428 HB ILE 53 HB ILE 53 0.895 7.082 -6.594 429 HG12 ILE 53 HG12 ILE 53 0.652 9.589 -8.295 430 HG13 ILE 53 HG13 ILE 53 2.136 8.676 -8.035 431 HG21 ILE 53 HG21 ILE 53 -1.446 7.743 -5.917 432 HG22 ILE 53 HG22 ILE 53 -1.310 7.241 -7.599 433 HG23 ILE 53 HG23 ILE 53 -1.416 8.954 -7.198 434 HD11 ILE 53 HD11 ILE 53 -0.367 7.754 -9.458 435 HD12 ILE 53 HD12 ILE 53 0.919 6.648 -8.971 436 HD13 ILE 53 HD13 ILE 53 1.253 7.933 -10.132 437 H LEU 54 H LEU 54 2.248 7.443 -4.129 438 HA LEU 54 HA LEU 54 0.096 6.476 -2.463 439 HB2 LEU 54 HB2 LEU 54 3.022 6.558 -1.671 440 HB3 LEU 54 HB3 LEU 54 1.794 5.393 -1.178 441 HG LEU 54 HG LEU 54 2.904 5.732 -3.979 442 HD11 LEU 54 HD11 LEU 54 4.019 3.647 -3.621 443 HD12 LEU 54 HD12 LEU 54 3.136 3.350 -2.123 444 HD13 LEU 54 HD13 LEU 54 4.360 4.617 -2.189 445 HD21 LEU 54 HD21 LEU 54 0.713 3.983 -2.832 446 HD22 LEU 54 HD22 LEU 54 1.567 3.546 -4.313 447 HD23 LEU 54 HD23 LEU 54 0.642 5.042 -4.241 448 H TYR 55 H TYR 55 2.346 9.166 -2.268 449 HA TYR 55 HA TYR 55 1.648 9.887 0.465 450 HB2 TYR 55 HB2 TYR 55 3.772 10.550 -0.877 451 HB3 TYR 55 HB3 TYR 55 2.763 11.790 -1.618 452 HD1 TYR 55 HD1 TYR 55 3.718 10.417 1.737 453 HD2 TYR 55 HD2 TYR 55 2.536 13.878 -0.520 454 HE1 TYR 55 HE1 TYR 55 4.073 11.842 3.735 455 HE2 TYR 55 HE2 TYR 55 2.891 15.300 1.480 456 HH TYR 55 HH TYR 55 4.189 13.941 4.495 457 H ASN 56 H ASN 56 0.552 10.733 -2.763 458 HA ASN 56 HA ASN 56 -1.152 12.912 -2.072 459 HB2 ASN 56 HB2 ASN 56 -1.275 10.920 -4.350 460 HB3 ASN 56 HB3 ASN 56 -2.302 12.351 -4.240 461 HD21 ASN 56 HD21 ASN 56 1.045 11.261 -4.725 462 HD22 ASN 56 HD22 ASN 56 1.639 12.758 -5.260 463 H ASP 57 H ASP 57 -1.491 9.491 -1.647 464 HA ASP 57 HA ASP 57 -4.307 9.219 -1.656 465 HB2 ASP 57 HB2 ASP 57 -2.182 7.868 0.017 466 HB3 ASP 57 HB3 ASP 57 -3.886 7.432 0.144 467 H ILE 58 H ILE 58 -2.227 10.010 1.144 468 HA ILE 58 HA ILE 58 -4.591 10.814 2.703 469 HB ILE 58 HB ILE 58 -1.728 11.261 3.561 470 HG12 ILE 58 HG12 ILE 58 -1.705 9.003 2.695 471 HG13 ILE 58 HG13 ILE 58 -1.772 8.911 4.452 472 HG21 ILE 58 HG21 ILE 58 -2.609 10.952 5.765 473 HG22 ILE 58 HG22 ILE 58 -4.126 10.303 5.146 474 HG23 ILE 58 HG23 ILE 58 -3.747 12.009 4.931 475 HD11 ILE 58 HD11 ILE 58 -3.367 7.321 3.668 476 HD12 ILE 58 HD12 ILE 58 -4.024 8.446 2.484 477 HD13 ILE 58 HD13 ILE 58 -4.316 8.706 4.201 478 H TYR 59 H TYR 59 -1.844 12.399 1.094 479 HA TYR 59 HA TYR 59 -3.272 14.813 0.631 480 HB2 TYR 59 HB2 TYR 59 -1.727 16.195 2.333 481 HB3 TYR 59 HB3 TYR 59 -3.273 15.525 2.842 482 HD1 TYR 59 HD1 TYR 59 0.255 14.228 2.406 483 HD2 TYR 59 HD2 TYR 59 -3.217 14.474 4.937 484 HE1 TYR 59 HE1 TYR 59 1.408 12.884 4.133 485 HE2 TYR 59 HE2 TYR 59 -2.052 13.131 6.656 486 HH TYR 59 HH TYR 59 0.286 12.612 7.311 487 H SER 60 H SER 60 -1.740 16.625 -0.076 488 HA SER 60 HA SER 60 1.037 16.081 -0.549 489 HB2 SER 60 HB2 SER 60 0.587 14.498 -2.206 490 HB3 SER 60 HB3 SER 60 -0.934 15.263 -2.660 491 HG SER 60 HG SER 60 0.386 17.014 -3.488 492 H TRP 61 H TRP 61 -1.902 17.801 -1.424 493 HA TRP 61 HA TRP 61 -0.822 19.934 -2.920 494 HB2 TRP 61 HB2 TRP 61 -3.021 20.097 -0.835 495 HB3 TRP 61 HB3 TRP 61 -2.739 21.254 -2.137 496 HD1 TRP 61 HD1 TRP 61 -2.441 19.684 -4.649 497 HE1 TRP 61 HE1 TRP 61 -4.259 18.100 -5.562 498 HE3 TRP 61 HE3 TRP 61 -5.067 18.792 -0.362 499 HZ2 TRP 61 HZ2 TRP 61 -6.528 16.648 -4.600 500 HZ3 TRP 61 HZ3 TRP 61 -7.050 17.306 -0.388 501 HH2 TRP 61 HH2 TRP 61 -7.784 16.235 -2.500 502 H ASP 62 H ASP 62 -0.098 19.031 0.258 503 HA ASP 62 HA ASP 62 1.553 21.434 0.633 504 HB2 ASP 62 HB2 ASP 62 -0.600 20.725 2.655 505 HB3 ASP 62 HB3 ASP 62 0.585 22.024 2.805 506 H ASN 63 H ASN 63 1.415 20.597 3.636 507 HA ASN 63 HA ASN 63 2.781 19.270 5.009 508 HB2 ASN 63 HB2 ASN 63 2.154 17.109 2.979 509 HB3 ASN 63 HB3 ASN 63 2.580 16.888 4.676 510 HD21 ASN 63 HD21 ASN 63 0.965 17.619 6.310 511 HD22 ASN 63 HD22 ASN 63 -0.672 17.749 5.882 512 H GLU 64 H GLU 64 4.842 20.136 4.710 513 HA GLU 64 HA GLU 64 6.738 18.507 3.228 514 HB2 GLU 64 HB2 GLU 64 5.681 20.015 1.459 515 HB3 GLU 64 HB3 GLU 64 6.429 21.374 2.297 516 HG2 GLU 64 HG2 GLU 64 8.651 20.280 2.028 517 HG3 GLU 64 HG3 GLU 64 7.877 18.984 1.115 518 HA PRO 65 HA PRO 65 8.284 21.175 6.773 519 HB2 PRO 65 HB2 PRO 65 8.637 19.267 8.667 520 HB3 PRO 65 HB3 PRO 65 7.042 19.991 8.366 521 HG2 PRO 65 HG2 PRO 65 8.137 17.375 7.392 522 HG3 PRO 65 HG3 PRO 65 6.541 17.733 8.082 523 HD2 PRO 65 HD2 PRO 65 6.983 17.544 5.369 524 HD3 PRO 65 HD3 PRO 65 5.712 18.573 6.069 525 H ALA 66 H ALA 66 10.505 21.215 7.591 526 HA ALA 66 HA ALA 66 12.419 20.059 5.761 527 HB1 ALA 66 HB1 ALA 66 14.099 21.135 7.132 528 HB2 ALA 66 HB2 ALA 66 12.965 21.300 8.472 529 HB3 ALA 66 HB3 ALA 66 12.727 22.233 6.995 530 H THR 67 H THR 67 11.759 19.469 9.233 531 HA THR 67 HA THR 67 13.599 17.356 9.595 532 HB THR 67 HB THR 67 10.854 17.515 10.870 533 HG1 THR 67 HG1 THR 67 11.592 19.402 11.456 534 HG21 THR 67 HG21 THR 67 12.044 16.466 12.775 535 HG22 THR 67 HG22 THR 67 13.517 16.406 11.804 536 HG23 THR 67 HG23 THR 67 12.107 15.458 11.330 537 H ASN 68 H ASN 68 13.347 15.063 9.446 538 HA ASN 68 HA ASN 68 11.765 14.183 7.179 539 HB2 ASN 68 HB2 ASN 68 12.613 11.898 7.878 540 HB3 ASN 68 HB3 ASN 68 13.876 13.091 7.571 541 HD21 ASN 68 HD21 ASN 68 15.084 13.913 9.409 542 HD22 ASN 68 HD22 ASN 68 14.976 13.195 10.944 543 H THR 69 H THR 69 9.821 13.069 7.194 544 HA THR 69 HA THR 69 8.722 11.883 9.606 545 HB THR 69 HB THR 69 7.446 14.429 8.561 546 HG1 THR 69 HG1 THR 69 8.191 14.185 11.196 547 HG21 THR 69 HG21 THR 69 6.651 12.456 10.713 548 HG22 THR 69 HG22 THR 69 5.734 12.898 9.273 549 HG23 THR 69 HG23 THR 69 5.953 14.069 10.572 550 H LEU 70 H LEU 70 8.177 13.106 6.337 551 HA LEU 70 HA LEU 70 5.832 11.480 5.851 552 HB2 LEU 70 HB2 LEU 70 6.656 11.941 3.344 553 HB3 LEU 70 HB3 LEU 70 5.922 13.222 4.302 554 HG LEU 70 HG LEU 70 8.906 12.869 4.543 555 HD11 LEU 70 HD11 LEU 70 9.230 14.353 2.551 556 HD12 LEU 70 HD12 LEU 70 7.532 14.109 2.141 557 HD13 LEU 70 HD13 LEU 70 8.646 12.741 2.136 558 HD21 LEU 70 HD21 LEU 70 7.397 14.607 5.768 559 HD22 LEU 70 HD22 LEU 70 7.324 15.433 4.214 560 HD23 LEU 70 HD23 LEU 70 8.877 15.192 5.014 561 H GLU 71 H GLU 71 9.281 11.126 4.960 562 HA GLU 71 HA GLU 71 8.902 8.515 3.787 563 HB2 GLU 71 HB2 GLU 71 11.433 9.757 4.904 564 HB3 GLU 71 HB3 GLU 71 11.349 8.382 3.804 565 HG2 GLU 71 HG2 GLU 71 10.268 11.142 3.168 566 HG3 GLU 71 HG3 GLU 71 11.841 10.543 2.636 567 H VAL 72 H VAL 72 9.385 9.674 7.037 568 HA VAL 72 HA VAL 72 10.236 7.114 8.117 569 HB VAL 72 HB VAL 72 8.950 9.389 9.630 570 HG11 VAL 72 HG11 VAL 72 10.915 7.210 10.394 571 HG12 VAL 72 HG12 VAL 72 9.233 7.331 10.911 572 HG13 VAL 72 HG13 VAL 72 10.413 8.522 11.460 573 HG21 VAL 72 HG21 VAL 72 11.277 10.226 9.959 574 HG22 VAL 72 HG22 VAL 72 10.772 10.299 8.271 575 HG23 VAL 72 HG23 VAL 72 11.848 9.012 8.814 576 H HIS 73 H HIS 73 7.152 8.869 7.961 577 HA HIS 73 HA HIS 73 5.571 7.027 9.430 578 HB2 HIS 73 HB2 HIS 73 4.711 9.207 8.588 579 HB3 HIS 73 HB3 HIS 73 4.765 8.576 6.942 580 HD1 HIS 73 HD1 HIS 73 3.365 6.137 6.739 581 HD2 HIS 73 HD2 HIS 73 2.236 8.809 9.739 582 HE1 HIS 73 HE1 HIS 73 1.019 5.480 7.440 583 HE2 HIS 73 HE2 HIS 73 0.323 7.099 9.265 584 H ILE 74 H ILE 74 6.651 7.049 6.088 585 HA ILE 74 HA ILE 74 5.231 4.670 5.290 586 HB ILE 74 HB ILE 74 7.709 6.008 4.161 587 HG12 ILE 74 HG12 ILE 74 4.884 5.833 3.066 588 HG13 ILE 74 HG13 ILE 74 5.444 7.171 4.069 589 HG21 ILE 74 HG21 ILE 74 6.132 3.610 3.182 590 HG22 ILE 74 HG22 ILE 74 7.866 3.707 3.487 591 HG23 ILE 74 HG23 ILE 74 7.163 4.566 2.119 592 HD11 ILE 74 HD11 ILE 74 7.082 7.817 2.451 593 HD12 ILE 74 HD12 ILE 74 5.588 7.551 1.558 594 HD13 ILE 74 HD13 ILE 74 6.861 6.332 1.530 595 H HIS 75 H HIS 75 8.460 5.261 6.649 596 HA HIS 75 HA HIS 75 9.407 2.582 6.435 597 HB2 HIS 75 HB2 HIS 75 10.787 4.593 7.092 598 HB3 HIS 75 HB3 HIS 75 10.020 4.526 8.679 599 HD1 HIS 75 HD1 HIS 75 10.093 1.749 9.563 600 HD2 HIS 75 HD2 HIS 75 13.206 3.289 7.251 601 HE1 HIS 75 HE1 HIS 75 12.095 0.245 9.960 602 HE2 HIS 75 HE2 HIS 75 13.994 1.174 8.559 603 H ASN 76 H ASN 76 7.325 4.161 8.789 604 HA ASN 76 HA ASN 76 7.284 1.879 10.609 605 HB2 ASN 76 HB2 ASN 76 5.475 4.303 10.367 606 HB3 ASN 76 HB3 ASN 76 5.376 3.112 11.665 607 HD21 ASN 76 HD21 ASN 76 6.575 6.122 11.111 608 HD22 ASN 76 HD22 ASN 76 7.936 6.095 12.125 609 H LEU 77 H LEU 77 5.179 3.161 8.058 610 HA LEU 77 HA LEU 77 3.112 1.187 8.420 611 HB2 LEU 77 HB2 LEU 77 2.073 2.642 6.995 612 HB3 LEU 77 HB3 LEU 77 3.590 3.492 6.774 613 HG LEU 77 HG LEU 77 4.162 1.915 4.916 614 HD11 LEU 77 HD11 LEU 77 1.797 0.501 5.914 615 HD12 LEU 77 HD12 LEU 77 3.018 -0.038 4.767 616 HD13 LEU 77 HD13 LEU 77 1.625 0.869 4.197 617 HD21 LEU 77 HD21 LEU 77 1.488 3.299 4.559 618 HD22 LEU 77 HD22 LEU 77 2.678 2.961 3.304 619 HD23 LEU 77 HD23 LEU 77 3.040 4.133 4.569 620 H ARG 78 H ARG 78 5.939 1.384 6.293 621 HA ARG 78 HA ARG 78 5.558 -0.888 4.725 622 HB2 ARG 78 HB2 ARG 78 7.441 0.751 4.524 623 HB3 ARG 78 HB3 ARG 78 8.171 0.037 5.952 624 HG2 ARG 78 HG2 ARG 78 9.222 -0.905 3.971 625 HG3 ARG 78 HG3 ARG 78 8.291 -2.155 4.785 626 HD2 ARG 78 HD2 ARG 78 8.090 -1.919 2.181 627 HD3 ARG 78 HD3 ARG 78 6.623 -2.178 3.117 628 HE ARG 78 HE ARG 78 7.184 0.647 2.761 629 HH11 ARG 78 HH11 ARG 78 5.959 -2.220 1.292 630 HH12 ARG 78 HH12 ARG 78 4.903 -1.373 0.211 631 HH21 ARG 78 HH21 ARG 78 5.815 1.769 1.359 632 HH22 ARG 78 HH22 ARG 78 4.823 0.885 0.249 633 H GLU 79 H GLU 79 7.171 -0.749 7.920 634 HA GLU 79 HA GLU 79 7.657 -3.562 8.086 635 HB2 GLU 79 HB2 GLU 79 7.324 -1.509 10.288 636 HB3 GLU 79 HB3 GLU 79 7.965 -3.135 10.519 637 HG2 GLU 79 HG2 GLU 79 9.151 -1.143 8.569 638 HG3 GLU 79 HG3 GLU 79 9.729 -1.344 10.224 639 H LYS 80 H LYS 80 4.792 -1.668 8.802 640 HA LYS 80 HA LYS 80 3.519 -3.665 10.439 641 HB2 LYS 80 HB2 LYS 80 2.479 -1.283 8.895 642 HB3 LYS 80 HB3 LYS 80 1.403 -2.342 9.807 643 HG2 LYS 80 HG2 LYS 80 2.692 -1.905 11.859 644 HG3 LYS 80 HG3 LYS 80 3.785 -0.857 10.957 645 HD2 LYS 80 HD2 LYS 80 1.949 0.664 10.425 646 HD3 LYS 80 HD3 LYS 80 0.798 -0.411 11.219 647 HE2 LYS 80 HE2 LYS 80 1.345 1.359 12.773 648 HE3 LYS 80 HE3 LYS 80 2.113 -0.120 13.349 649 HZ1 LYS 80 HZ1 LYS 80 3.668 1.693 13.438 650 HZ2 LYS 80 HZ2 LYS 80 3.412 2.056 11.801 651 HZ3 LYS 80 HZ3 LYS 80 4.164 0.596 12.239 652 H ILE 81 H ILE 81 3.243 -2.869 6.961 653 HA ILE 81 HA ILE 81 1.318 -4.983 6.487 654 HB ILE 81 HB ILE 81 1.826 -4.508 4.060 655 HG12 ILE 81 HG12 ILE 81 3.618 -2.363 5.240 656 HG13 ILE 81 HG13 ILE 81 4.212 -3.836 4.474 657 HG21 ILE 81 HG21 ILE 81 0.086 -3.284 5.372 658 HG22 ILE 81 HG22 ILE 81 0.806 -2.291 4.104 659 HG23 ILE 81 HG23 ILE 81 1.296 -2.067 5.783 660 HD11 ILE 81 HD11 ILE 81 2.499 -1.706 3.163 661 HD12 ILE 81 HD12 ILE 81 2.996 -3.213 2.396 662 HD13 ILE 81 HD13 ILE 81 4.206 -2.012 2.845 663 H GLY 82 H GLY 82 4.766 -4.918 6.724 664 HA2 GLY 82 HA2 GLY 82 6.218 -6.796 6.715 665 HA3 GLY 82 HA3 GLY 82 4.869 -7.807 6.192 666 H LYS 83 H LYS 83 7.190 -5.403 5.082 667 HA LYS 83 HA LYS 83 6.695 -5.275 2.362 668 HB2 LYS 83 HB2 LYS 83 9.203 -5.030 2.090 669 HB3 LYS 83 HB3 LYS 83 8.478 -3.974 3.299 670 HG2 LYS 83 HG2 LYS 83 9.168 -5.454 5.094 671 HG3 LYS 83 HG3 LYS 83 9.753 -6.648 3.935 672 HD2 LYS 83 HD2 LYS 83 11.423 -5.029 3.106 673 HD3 LYS 83 HD3 LYS 83 10.846 -3.839 4.274 674 HE2 LYS 83 HE2 LYS 83 11.885 -6.570 5.067 675 HE3 LYS 83 HE3 LYS 83 12.901 -5.130 5.004 676 HZ1 LYS 83 HZ1 LYS 83 11.379 -5.928 7.118 677 HZ2 LYS 83 HZ2 LYS 83 10.457 -4.686 6.421 678 HZ3 LYS 83 HZ3 LYS 83 12.059 -4.384 6.904 679 H SER 84 H SER 84 7.573 -8.086 4.111 680 HA SER 84 HA SER 84 9.084 -9.615 2.353 681 HB2 SER 84 HB2 SER 84 8.522 -10.600 4.437 682 HB3 SER 84 HB3 SER 84 6.796 -10.374 4.169 683 HG SER 84 HG SER 84 7.648 -11.776 2.142 684 H ARG 85 H ARG 85 5.553 -9.095 2.235 685 HA ARG 85 HA ARG 85 5.408 -10.643 -0.306 686 HB2 ARG 85 HB2 ARG 85 3.355 -9.423 1.548 687 HB3 ARG 85 HB3 ARG 85 2.900 -9.951 -0.071 688 HG2 ARG 85 HG2 ARG 85 2.481 -11.783 1.464 689 HG3 ARG 85 HG3 ARG 85 3.858 -12.217 0.460 690 HD2 ARG 85 HD2 ARG 85 5.412 -11.766 2.210 691 HD3 ARG 85 HD3 ARG 85 4.201 -10.916 3.171 692 HE ARG 85 HE ARG 85 3.167 -13.477 2.901 693 HH11 ARG 85 HH11 ARG 85 6.131 -12.065 3.957 694 HH12 ARG 85 HH12 ARG 85 6.470 -13.314 5.109 695 HH21 ARG 85 HH21 ARG 85 3.593 -15.115 4.401 696 HH22 ARG 85 HH22 ARG 85 5.033 -15.039 5.360 697 H ILE 86 H ILE 86 6.544 -7.704 0.232 698 HA ILE 86 HA ILE 86 5.136 -6.429 -2.108 699 HB ILE 86 HB ILE 86 6.740 -5.017 0.040 700 HG12 ILE 86 HG12 ILE 86 4.834 -6.078 1.132 701 HG13 ILE 86 HG13 ILE 86 4.544 -4.346 1.005 702 HG21 ILE 86 HG21 ILE 86 6.565 -3.686 -1.935 703 HG22 ILE 86 HG22 ILE 86 5.365 -3.057 -0.809 704 HG23 ILE 86 HG23 ILE 86 4.861 -4.092 -2.143 705 HD11 ILE 86 HD11 ILE 86 2.498 -5.333 0.339 706 HD12 ILE 86 HD12 ILE 86 3.304 -6.574 -0.611 707 HD13 ILE 86 HD13 ILE 86 3.273 -4.910 -1.183 708 H ARG 87 H ARG 87 6.624 -5.057 -3.445 709 HA ARG 87 HA ARG 87 9.493 -5.931 -3.376 710 HB2 ARG 87 HB2 ARG 87 8.131 -7.266 -5.064 711 HB3 ARG 87 HB3 ARG 87 7.854 -5.749 -5.920 712 HG2 ARG 87 HG2 ARG 87 10.346 -5.431 -6.029 713 HG3 ARG 87 HG3 ARG 87 10.531 -7.047 -5.348 714 HD2 ARG 87 HD2 ARG 87 9.175 -7.947 -7.255 715 HD3 ARG 87 HD3 ARG 87 9.174 -6.331 -7.962 716 HE ARG 87 HE ARG 87 11.387 -8.199 -8.021 717 HH11 ARG 87 HH11 ARG 87 10.468 -4.881 -7.817 718 HH12 ARG 87 HH12 ARG 87 11.936 -4.294 -8.527 719 HH21 ARG 87 HH21 ARG 87 13.308 -7.450 -8.948 720 HH22 ARG 87 HH22 ARG 87 13.542 -5.748 -9.166 721 H THR 88 H THR 88 10.683 -4.096 -3.225 722 HA THR 88 HA THR 88 9.538 -1.519 -4.180 723 HB THR 88 HB THR 88 11.048 -0.466 -2.730 724 HG1 THR 88 HG1 THR 88 12.665 -2.722 -2.413 725 HG21 THR 88 HG21 THR 88 10.898 -1.590 -0.632 726 HG22 THR 88 HG22 THR 88 10.879 -3.177 -1.400 727 HG23 THR 88 HG23 THR 88 9.482 -2.109 -1.545 728 H VAL 89 H VAL 89 10.383 -0.404 -5.898 729 HA VAL 89 HA VAL 89 12.529 -1.746 -7.498 730 HB VAL 89 HB VAL 89 10.593 0.451 -8.291 731 HG11 VAL 89 HG11 VAL 89 11.292 -0.278 -10.599 732 HG12 VAL 89 HG12 VAL 89 12.533 -1.282 -9.849 733 HG13 VAL 89 HG13 VAL 89 12.588 0.471 -9.667 734 HG21 VAL 89 HG21 VAL 89 9.334 -1.557 -7.837 735 HG22 VAL 89 HG22 VAL 89 10.527 -2.558 -8.664 736 HG23 VAL 89 HG23 VAL 89 9.518 -1.446 -9.587 737 H ARG 90 H ARG 90 14.467 -0.960 -6.715 738 HA ARG 90 HA ARG 90 16.146 0.588 -6.192 739 HB2 ARG 90 HB2 ARG 90 15.511 1.056 -8.681 740 HB3 ARG 90 HB3 ARG 90 14.724 2.504 -8.058 741 HG2 ARG 90 HG2 ARG 90 16.844 3.251 -7.060 742 HG3 ARG 90 HG3 ARG 90 17.638 1.774 -7.607 743 HD2 ARG 90 HD2 ARG 90 17.209 2.376 -9.943 744 HD3 ARG 90 HD3 ARG 90 16.342 3.824 -9.428 745 HE ARG 90 HE ARG 90 18.428 4.869 -9.098 746 HH11 ARG 90 HH11 ARG 90 18.705 1.432 -9.157 747 HH12 ARG 90 HH12 ARG 90 20.436 1.438 -9.090 748 HH21 ARG 90 HH21 ARG 90 20.685 4.896 -9.009 749 HH22 ARG 90 HH22 ARG 90 21.556 3.399 -9.006 750 H GLY 91 H GLY 91 13.575 0.657 -4.641 751 HA2 GLY 91 HA2 GLY 91 12.643 1.969 -2.933 752 HA3 GLY 91 HA3 GLY 91 14.147 2.889 -2.971 753 H PHE 92 H PHE 92 12.929 2.954 -6.050 754 HA PHE 92 HA PHE 92 12.125 5.729 -5.815 755 HB2 PHE 92 HB2 PHE 92 13.239 5.115 -7.846 756 HB3 PHE 92 HB3 PHE 92 12.155 3.751 -8.109 757 HD1 PHE 92 HD1 PHE 92 12.290 7.481 -7.957 758 HD2 PHE 92 HD2 PHE 92 10.101 4.034 -9.294 759 HE1 PHE 92 HE1 PHE 92 10.764 8.948 -9.250 760 HE2 PHE 92 HE2 PHE 92 8.575 5.501 -10.582 761 HZ PHE 92 HZ PHE 92 8.903 7.957 -10.559 762 H GLY 93 H GLY 93 10.278 3.279 -7.577 763 HA2 GLY 93 HA2 GLY 93 7.775 4.343 -6.351 764 HA3 GLY 93 HA3 GLY 93 7.883 3.386 -7.831 765 H TYR 94 H TYR 94 6.348 1.860 -7.043 766 HA TYR 94 HA TYR 94 7.546 -0.216 -5.313 767 HB2 TYR 94 HB2 TYR 94 5.145 1.453 -4.573 768 HB3 TYR 94 HB3 TYR 94 5.204 -0.232 -4.055 769 HD1 TYR 94 HD1 TYR 94 6.869 3.071 -3.813 770 HD2 TYR 94 HD2 TYR 94 6.769 -0.973 -2.371 771 HE1 TYR 94 HE1 TYR 94 8.381 3.693 -1.955 772 HE2 TYR 94 HE2 TYR 94 8.278 -0.351 -0.512 773 HH TYR 94 HH TYR 94 8.736 2.217 0.705 774 H MET 95 H MET 95 6.365 -2.241 -5.484 775 HA MET 95 HA MET 95 4.175 -2.434 -7.451 776 HB2 MET 95 HB2 MET 95 6.136 -2.320 -8.926 777 HB3 MET 95 HB3 MET 95 6.906 -3.626 -8.029 778 HG2 MET 95 HG2 MET 95 5.249 -5.207 -8.731 779 HG3 MET 95 HG3 MET 95 4.208 -3.934 -9.368 780 HE1 MET 95 HE1 MET 95 7.963 -5.780 -11.190 781 HE2 MET 95 HE2 MET 95 6.919 -6.411 -9.908 782 HE3 MET 95 HE3 MET 95 7.993 -5.052 -9.586 783 H LEU 96 H LEU 96 2.894 -4.082 -6.823 784 HA LEU 96 HA LEU 96 3.828 -5.934 -4.716 785 HB2 LEU 96 HB2 LEU 96 1.173 -5.283 -5.996 786 HB3 LEU 96 HB3 LEU 96 1.343 -6.774 -5.072 787 HG LEU 96 HG LEU 96 2.013 -5.534 -3.092 788 HD11 LEU 96 HD11 LEU 96 3.293 -3.726 -4.040 789 HD12 LEU 96 HD12 LEU 96 1.939 -3.001 -3.179 790 HD13 LEU 96 HD13 LEU 96 1.896 -3.135 -4.938 791 HD21 LEU 96 HD21 LEU 96 -0.359 -4.117 -4.336 792 HD22 LEU 96 HD22 LEU 96 -0.068 -4.408 -2.621 793 HD23 LEU 96 HD23 LEU 96 -0.438 -5.757 -3.694 794 H ALA 97 H ALA 97 4.304 -8.080 -5.050 795 HA ALA 97 HA ALA 97 5.005 -9.019 -7.631 796 HB1 ALA 97 HB1 ALA 97 5.823 -9.971 -5.456 797 HB2 ALA 97 HB2 ALA 97 5.272 -11.200 -6.595 798 HB3 ALA 97 HB3 ALA 97 4.243 -10.726 -5.243 799 H ASN 98 H ASN 98 3.577 -9.318 -9.273 800 HA ASN 98 HA ASN 98 0.762 -9.895 -8.792 801 HB2 ASN 98 HB2 ASN 98 2.413 -9.879 -11.337 802 HB3 ASN 98 HB3 ASN 98 0.660 -10.069 -11.286 803 HD21 ASN 98 HD21 ASN 98 2.084 -7.988 -8.872 804 HD22 ASN 98 HD22 ASN 98 1.611 -6.517 -9.574 805 H ASN 99 H ASN 99 1.066 -11.913 -7.551 806 HA ASN 99 HA ASN 99 1.154 -14.254 -7.368 807 HB2 ASN 99 HB2 ASN 99 0.531 -14.209 -10.334 808 HB3 ASN 99 HB3 ASN 99 0.128 -15.471 -9.170 809 HD21 ASN 99 HD21 ASN 99 -1.707 -13.754 -10.880 810 HD22 ASN 99 HD22 ASN 99 -2.770 -13.023 -9.778 811 H ILE 100 H ILE 100 3.440 -14.361 -7.000 812 HA ILE 100 HA ILE 100 4.937 -15.615 -9.238 813 HB ILE 100 HB ILE 100 6.281 -13.464 -7.579 814 HG12 ILE 100 HG12 ILE 100 4.753 -13.090 -10.180 815 HG13 ILE 100 HG13 ILE 100 4.373 -12.351 -8.625 816 HG21 ILE 100 HG21 ILE 100 7.562 -15.163 -9.003 817 HG22 ILE 100 HG22 ILE 100 7.901 -13.470 -9.346 818 HG23 ILE 100 HG23 ILE 100 6.840 -14.390 -10.412 819 HD11 ILE 100 HD11 ILE 100 6.776 -11.824 -10.383 820 HD12 ILE 100 HD12 ILE 100 6.701 -11.305 -8.698 821 HD13 ILE 100 HD13 ILE 100 5.539 -10.679 -9.867 822 H ASP 101 H ASP 101 3.922 -15.623 -6.114 823 HA ASP 101 HA ASP 101 6.273 -16.726 -4.802 824 HB2 ASP 101 HB2 ASP 101 3.342 -16.848 -4.022 825 HB3 ASP 101 HB3 ASP 101 4.697 -17.280 -2.977 826 H THR 102 H THR 102 3.442 -18.035 -6.456 827 HA THR 102 HA THR 102 4.066 -20.805 -5.759 828 HB THR 102 HB THR 102 2.257 -19.766 -7.959 829 HG1 THR 102 HG1 THR 102 0.726 -19.585 -6.464 830 HG21 THR 102 HG21 THR 102 2.768 -22.133 -8.174 831 HG22 THR 102 HG22 THR 102 1.119 -21.959 -7.571 832 HG23 THR 102 HG23 THR 102 2.422 -22.396 -6.465 833 H GLU 103 H GLU 103 5.890 -21.703 -6.607 834 HA GLU 103 HA GLU 103 7.208 -20.775 -8.971 835 HB2 GLU 103 HB2 GLU 103 8.225 -22.172 -7.102 836 HB3 GLU 103 HB3 GLU 103 7.408 -23.566 -7.808 837 HG2 GLU 103 HG2 GLU 103 9.628 -23.544 -8.720 838 HG3 GLU 103 HG3 GLU 103 8.553 -22.988 -10.003 Start of MODEL 7 1 H1 ASN 1 H1 ASN 1 -19.097 -3.722 -8.295 2 H2 ASN 1 H2 ASN 1 -17.892 -3.401 -7.140 3 H3 ASN 1 H3 ASN 1 -17.771 -2.748 -8.704 4 HA ASN 1 HA ASN 1 -18.761 -1.443 -6.566 5 HB2 ASN 1 HB2 ASN 1 -19.641 -0.990 -9.430 6 HB3 ASN 1 HB3 ASN 1 -19.444 0.221 -8.163 7 HD21 ASN 1 HD21 ASN 1 -16.913 -1.722 -7.530 8 HD22 ASN 1 HD22 ASN 1 -15.727 -1.036 -8.531 9 H GLN 2 H GLN 2 -20.352 -4.038 -7.872 10 HA GLN 2 HA GLN 2 -23.087 -3.041 -7.778 11 HB2 GLN 2 HB2 GLN 2 -22.042 -5.889 -7.690 12 HB3 GLN 2 HB3 GLN 2 -23.713 -5.412 -7.998 13 HG2 GLN 2 HG2 GLN 2 -23.018 -4.204 -10.019 14 HG3 GLN 2 HG3 GLN 2 -21.334 -4.622 -9.705 15 HE21 GLN 2 HE21 GLN 2 -22.693 -7.334 -8.646 16 HE22 GLN 2 HE22 GLN 2 -22.826 -8.229 -10.081 17 H GLY 3 H GLY 3 -22.347 -2.078 -5.493 18 HA2 GLY 3 HA2 GLY 3 -22.992 -2.067 -3.225 19 HA3 GLY 3 HA3 GLY 3 -23.808 -3.606 -3.499 20 H ASP 4 H ASP 4 -20.507 -3.432 -4.481 21 HA ASP 4 HA ASP 4 -19.300 -4.201 -1.972 22 HB2 ASP 4 HB2 ASP 4 -20.615 -6.258 -2.406 23 HB3 ASP 4 HB3 ASP 4 -19.825 -6.421 -3.975 24 H ASN 5 H ASN 5 -16.995 -4.603 -2.239 25 HA ASN 5 HA ASN 5 -15.835 -4.479 -4.937 26 HB2 ASN 5 HB2 ASN 5 -15.434 -2.220 -2.947 27 HB3 ASN 5 HB3 ASN 5 -14.550 -2.411 -4.461 28 HD21 ASN 5 HD21 ASN 5 -17.833 -1.863 -3.142 29 HD22 ASN 5 HD22 ASN 5 -18.455 -1.163 -4.559 30 H GLU 6 H GLU 6 -14.188 -5.907 -4.811 31 HA GLU 6 HA GLU 6 -12.188 -5.739 -2.709 32 HB2 GLU 6 HB2 GLU 6 -12.546 -8.029 -1.813 33 HB3 GLU 6 HB3 GLU 6 -13.905 -6.965 -1.468 34 HG2 GLU 6 HG2 GLU 6 -14.951 -8.939 -2.234 35 HG3 GLU 6 HG3 GLU 6 -14.943 -7.910 -3.665 36 H ILE 7 H ILE 7 -10.397 -7.238 -3.114 37 HA ILE 7 HA ILE 7 -10.454 -8.777 -5.642 38 HB ILE 7 HB ILE 7 -8.413 -7.620 -6.494 39 HG12 ILE 7 HG12 ILE 7 -9.026 -5.694 -4.227 40 HG13 ILE 7 HG13 ILE 7 -7.593 -6.710 -4.375 41 HG21 ILE 7 HG21 ILE 7 -10.670 -5.649 -6.052 42 HG22 ILE 7 HG22 ILE 7 -10.791 -7.002 -7.177 43 HG23 ILE 7 HG23 ILE 7 -9.579 -5.748 -7.433 44 HD11 ILE 7 HD11 ILE 7 -7.094 -5.532 -6.560 45 HD12 ILE 7 HD12 ILE 7 -6.977 -4.512 -5.128 46 HD13 ILE 7 HD13 ILE 7 -8.392 -4.403 -6.170 47 H SER 8 H SER 8 -8.387 -10.031 -5.884 48 HA SER 8 HA SER 8 -6.919 -10.453 -3.299 49 HB2 SER 8 HB2 SER 8 -8.626 -12.168 -3.305 50 HB3 SER 8 HB3 SER 8 -8.292 -12.565 -4.988 51 HG SER 8 HG SER 8 -6.059 -12.973 -4.134 52 H VAL 9 H VAL 9 -4.819 -11.272 -3.574 53 HA VAL 9 HA VAL 9 -3.814 -11.666 -6.358 54 HB VAL 9 HB VAL 9 -2.557 -9.748 -4.367 55 HG11 VAL 9 HG11 VAL 9 -0.875 -10.797 -5.745 56 HG12 VAL 9 HG12 VAL 9 -1.150 -9.177 -6.388 57 HG13 VAL 9 HG13 VAL 9 -1.854 -10.579 -7.195 58 HG21 VAL 9 HG21 VAL 9 -3.192 -8.030 -6.095 59 HG22 VAL 9 HG22 VAL 9 -4.576 -8.759 -5.281 60 HG23 VAL 9 HG23 VAL 9 -4.139 -9.274 -6.910 61 H GLY 10 H GLY 10 -3.435 -13.850 -5.846 62 HA2 GLY 10 HA2 GLY 10 -2.046 -15.605 -5.116 63 HA3 GLY 10 HA3 GLY 10 -0.970 -14.392 -4.418 64 H ASN 11 H ASN 11 -0.974 -14.182 -2.232 65 HA ASN 11 HA ASN 11 -3.071 -15.648 -0.669 66 HB2 ASN 11 HB2 ASN 11 -0.315 -14.678 0.147 67 HB3 ASN 11 HB3 ASN 11 -1.423 -15.605 1.158 68 HD21 ASN 11 HD21 ASN 11 -1.012 -17.813 1.131 69 HD22 ASN 11 HD22 ASN 11 -0.304 -18.661 -0.159 70 H LEU 12 H LEU 12 -2.539 -12.575 -1.734 71 HA LEU 12 HA LEU 12 -3.225 -11.219 0.828 72 HB2 LEU 12 HB2 LEU 12 -2.807 -9.872 -1.850 73 HB3 LEU 12 HB3 LEU 12 -2.583 -9.204 -0.233 74 HG LEU 12 HG LEU 12 -0.873 -11.328 -1.563 75 HD11 LEU 12 HD11 LEU 12 0.874 -9.621 -1.457 76 HD12 LEU 12 HD12 LEU 12 -0.231 -8.507 -0.653 77 HD13 LEU 12 HD13 LEU 12 -0.522 -8.984 -2.325 78 HD21 LEU 12 HD21 LEU 12 0.541 -10.978 0.544 79 HD22 LEU 12 HD22 LEU 12 -0.958 -11.878 0.769 80 HD23 LEU 12 HD23 LEU 12 -0.869 -10.182 1.244 81 H ARG 13 H ARG 13 -5.356 -11.086 1.284 82 HA ARG 13 HA ARG 13 -7.338 -10.847 -0.967 83 HB2 ARG 13 HB2 ARG 13 -7.625 -11.784 1.893 84 HB3 ARG 13 HB3 ARG 13 -8.996 -11.490 0.828 85 HG2 ARG 13 HG2 ARG 13 -8.205 -13.166 -0.737 86 HG3 ARG 13 HG3 ARG 13 -6.719 -13.384 0.190 87 HD2 ARG 13 HD2 ARG 13 -7.979 -14.241 2.092 88 HD3 ARG 13 HD3 ARG 13 -9.503 -13.920 1.265 89 HE ARG 13 HE ARG 13 -7.781 -16.214 0.817 90 HH11 ARG 13 HH11 ARG 13 -10.007 -13.986 -0.589 91 HH12 ARG 13 HH12 ARG 13 -10.525 -15.081 -1.827 92 HH21 ARG 13 HH21 ARG 13 -8.445 -17.655 -0.792 93 HH22 ARG 13 HH22 ARG 13 -9.641 -17.158 -1.942 94 H LEU 14 H LEU 14 -7.921 -8.775 -1.315 95 HA LEU 14 HA LEU 14 -7.866 -6.822 0.966 96 HB2 LEU 14 HB2 LEU 14 -7.749 -6.475 -2.040 97 HB3 LEU 14 HB3 LEU 14 -8.039 -5.126 -0.950 98 HG LEU 14 HG LEU 14 -5.897 -5.774 0.261 99 HD11 LEU 14 HD11 LEU 14 -5.469 -8.004 -0.419 100 HD12 LEU 14 HD12 LEU 14 -4.276 -7.062 -1.299 101 HD13 LEU 14 HD13 LEU 14 -5.725 -7.635 -2.121 102 HD21 LEU 14 HD21 LEU 14 -5.860 -3.868 -1.182 103 HD22 LEU 14 HD22 LEU 14 -5.869 -4.875 -2.630 104 HD23 LEU 14 HD23 LEU 14 -4.438 -4.820 -1.602 105 H ASN 15 H ASN 15 -9.704 -5.788 1.587 106 HA ASN 15 HA ASN 15 -12.210 -6.133 -0.026 107 HB2 ASN 15 HB2 ASN 15 -11.832 -6.760 2.914 108 HB3 ASN 15 HB3 ASN 15 -13.417 -6.490 2.188 109 HD21 ASN 15 HD21 ASN 15 -14.299 -8.586 2.092 110 HD22 ASN 15 HD22 ASN 15 -13.538 -9.905 1.343 111 H VAL 16 H VAL 16 -12.413 -3.998 -0.610 112 HA VAL 16 HA VAL 16 -11.852 -1.809 1.219 113 HB VAL 16 HB VAL 16 -13.432 -1.698 -1.363 114 HG11 VAL 16 HG11 VAL 16 -11.664 0.307 0.079 115 HG12 VAL 16 HG12 VAL 16 -13.425 0.347 0.016 116 HG13 VAL 16 HG13 VAL 16 -12.485 0.588 -1.456 117 HG21 VAL 16 HG21 VAL 16 -10.437 -1.782 -0.900 118 HG22 VAL 16 HG22 VAL 16 -11.165 -1.198 -2.396 119 HG23 VAL 16 HG23 VAL 16 -11.400 -2.872 -1.896 120 H THR 17 H THR 17 -14.688 -3.648 0.288 121 HA THR 17 HA THR 17 -16.718 -1.869 1.116 122 HB THR 17 HB THR 17 -17.673 -3.744 0.140 123 HG1 THR 17 HG1 THR 17 -18.758 -3.695 2.041 124 HG21 THR 17 HG21 THR 17 -15.757 -5.084 -0.225 125 HG22 THR 17 HG22 THR 17 -16.816 -6.104 0.749 126 HG23 THR 17 HG23 THR 17 -15.453 -5.278 1.500 127 H ARG 18 H ARG 18 -15.117 -4.423 3.060 128 HA ARG 18 HA ARG 18 -16.184 -3.167 5.542 129 HB2 ARG 18 HB2 ARG 18 -14.926 -5.233 6.553 130 HB3 ARG 18 HB3 ARG 18 -16.418 -5.504 5.654 131 HG2 ARG 18 HG2 ARG 18 -15.217 -6.144 3.682 132 HG3 ARG 18 HG3 ARG 18 -13.679 -5.629 4.379 133 HD2 ARG 18 HD2 ARG 18 -14.165 -8.146 4.418 134 HD3 ARG 18 HD3 ARG 18 -13.676 -7.420 5.948 135 HE ARG 18 HE ARG 18 -16.447 -7.273 5.994 136 HH11 ARG 18 HH11 ARG 18 -14.075 -9.723 5.488 137 HH12 ARG 18 HH12 ARG 18 -15.053 -10.992 6.146 138 HH21 ARG 18 HH21 ARG 18 -17.737 -8.914 6.855 139 HH22 ARG 18 HH22 ARG 18 -17.127 -10.533 6.921 140 H ARG 19 H ARG 19 -13.488 -3.031 3.557 141 HA ARG 19 HA ARG 19 -11.423 -1.973 3.775 142 HB2 ARG 19 HB2 ARG 19 -13.030 -0.320 5.016 143 HB3 ARG 19 HB3 ARG 19 -12.300 -0.950 6.485 144 HG2 ARG 19 HG2 ARG 19 -10.897 0.869 6.041 145 HG3 ARG 19 HG3 ARG 19 -10.015 -0.436 5.255 146 HD2 ARG 19 HD2 ARG 19 -10.881 0.206 3.082 147 HD3 ARG 19 HD3 ARG 19 -11.982 1.375 3.810 148 HE ARG 19 HE ARG 19 -9.165 1.806 3.274 149 HH11 ARG 19 HH11 ARG 19 -11.820 2.505 5.360 150 HH12 ARG 19 HH12 ARG 19 -11.185 4.032 5.875 151 HH21 ARG 19 HH21 ARG 19 -8.320 3.794 3.937 152 HH22 ARG 19 HH22 ARG 19 -9.203 4.762 5.070 153 H LEU 20 H LEU 20 -10.555 -4.205 4.058 154 HA LEU 20 HA LEU 20 -8.897 -4.375 6.408 155 HB2 LEU 20 HB2 LEU 20 -11.009 -5.221 7.365 156 HB3 LEU 20 HB3 LEU 20 -11.124 -6.411 6.072 157 HG LEU 20 HG LEU 20 -9.016 -7.453 6.846 158 HD11 LEU 20 HD11 LEU 20 -7.740 -5.765 7.876 159 HD12 LEU 20 HD12 LEU 20 -8.316 -6.683 9.261 160 HD13 LEU 20 HD13 LEU 20 -9.104 -5.167 8.821 161 HD21 LEU 20 HD21 LEU 20 -9.944 -8.492 8.823 162 HD22 LEU 20 HD22 LEU 20 -11.281 -8.129 7.732 163 HD23 LEU 20 HD23 LEU 20 -10.978 -7.096 9.129 164 H VAL 21 H VAL 21 -7.272 -6.070 6.145 165 HA VAL 21 HA VAL 21 -7.316 -7.512 3.520 166 HB VAL 21 HB VAL 21 -4.893 -6.053 4.603 167 HG11 VAL 21 HG11 VAL 21 -5.547 -7.391 1.960 168 HG12 VAL 21 HG12 VAL 21 -4.343 -7.905 3.140 169 HG13 VAL 21 HG13 VAL 21 -4.110 -6.409 2.238 170 HG21 VAL 21 HG21 VAL 21 -5.375 -4.488 2.624 171 HG22 VAL 21 HG22 VAL 21 -6.410 -4.314 4.037 172 HG23 VAL 21 HG23 VAL 21 -6.999 -5.174 2.612 173 H TRP 22 H TRP 22 -6.177 -9.486 3.533 174 HA TRP 22 HA TRP 22 -5.205 -10.428 6.223 175 HB2 TRP 22 HB2 TRP 22 -6.550 -11.939 3.969 176 HB3 TRP 22 HB3 TRP 22 -5.779 -12.724 5.343 177 HD1 TRP 22 HD1 TRP 22 -6.970 -12.608 7.671 178 HE1 TRP 22 HE1 TRP 22 -9.334 -11.884 8.400 179 HE3 TRP 22 HE3 TRP 22 -8.513 -10.229 3.421 180 HZ2 TRP 22 HZ2 TRP 22 -11.580 -10.481 7.325 181 HZ3 TRP 22 HZ3 TRP 22 -10.766 -9.210 3.306 182 HH2 TRP 22 HH2 TRP 22 -12.299 -9.333 5.248 183 H LEU 23 H LEU 23 -3.186 -11.272 6.306 184 HA LEU 23 HA LEU 23 -1.587 -11.428 3.764 185 HB2 LEU 23 HB2 LEU 23 -0.878 -9.706 5.446 186 HB3 LEU 23 HB3 LEU 23 -0.674 -10.989 6.629 187 HG LEU 23 HG LEU 23 0.986 -12.061 5.022 188 HD11 LEU 23 HD11 LEU 23 0.495 -9.435 3.594 189 HD12 LEU 23 HD12 LEU 23 0.565 -11.061 2.919 190 HD13 LEU 23 HD13 LEU 23 2.042 -10.267 3.451 191 HD21 LEU 23 HD21 LEU 23 1.659 -10.752 7.021 192 HD22 LEU 23 HD22 LEU 23 1.634 -9.278 6.053 193 HD23 LEU 23 HD23 LEU 23 2.807 -10.546 5.698 194 H GLY 24 H GLY 24 -1.658 -13.618 3.225 195 HA2 GLY 24 HA2 GLY 24 -1.158 -15.917 3.484 196 HA3 GLY 24 HA3 GLY 24 -0.382 -15.517 5.022 197 H GLU 25 H GLU 25 -3.659 -14.782 4.020 198 HA GLU 25 HA GLU 25 -5.742 -15.421 4.859 199 HB2 GLU 25 HB2 GLU 25 -4.602 -17.769 4.594 200 HB3 GLU 25 HB3 GLU 25 -4.455 -17.719 6.349 201 HG2 GLU 25 HG2 GLU 25 -6.909 -17.305 6.510 202 HG3 GLU 25 HG3 GLU 25 -7.025 -17.473 4.758 203 H THR 26 H THR 26 -3.148 -14.427 6.713 204 HA THR 26 HA THR 26 -4.667 -14.441 9.287 205 HB THR 26 HB THR 26 -2.616 -13.738 10.332 206 HG1 THR 26 HG1 THR 26 -1.037 -13.834 8.119 207 HG21 THR 26 HG21 THR 26 -1.848 -15.794 8.251 208 HG22 THR 26 HG22 THR 26 -2.901 -16.164 9.618 209 HG23 THR 26 HG23 THR 26 -1.237 -15.648 9.899 210 H ALA 27 H ALA 27 -5.458 -12.576 10.198 211 HA ALA 27 HA ALA 27 -5.907 -10.308 8.488 212 HB1 ALA 27 HB1 ALA 27 -6.233 -10.572 11.492 213 HB2 ALA 27 HB2 ALA 27 -7.469 -10.931 10.287 214 HB3 ALA 27 HB3 ALA 27 -6.901 -9.275 10.502 215 H LEU 28 H LEU 28 -4.352 -8.861 7.961 216 HA LEU 28 HA LEU 28 -2.028 -8.432 9.721 217 HB2 LEU 28 HB2 LEU 28 -2.064 -8.566 7.113 218 HB3 LEU 28 HB3 LEU 28 -2.634 -6.907 7.178 219 HG LEU 28 HG LEU 28 -0.624 -6.341 8.586 220 HD11 LEU 28 HD11 LEU 28 0.272 -8.267 9.532 221 HD12 LEU 28 HD12 LEU 28 1.307 -8.147 8.118 222 HD13 LEU 28 HD13 LEU 28 -0.059 -9.259 8.114 223 HD21 LEU 28 HD21 LEU 28 -0.282 -7.442 5.784 224 HD22 LEU 28 HD22 LEU 28 0.986 -6.538 6.610 225 HD23 LEU 28 HD23 LEU 28 -0.565 -5.770 6.262 226 H ASP 29 H ASP 29 -1.712 -6.567 10.954 227 HA ASP 29 HA ASP 29 -4.082 -4.804 11.283 228 HB2 ASP 29 HB2 ASP 29 -2.813 -3.976 13.277 229 HB3 ASP 29 HB3 ASP 29 -3.147 -5.707 13.315 230 H LEU 30 H LEU 30 -4.066 -3.214 9.751 231 HA LEU 30 HA LEU 30 -1.649 -1.441 9.601 232 HB2 LEU 30 HB2 LEU 30 -2.005 -1.093 7.257 233 HB3 LEU 30 HB3 LEU 30 -2.009 -2.831 7.512 234 HG LEU 30 HG LEU 30 -4.465 -1.069 7.176 235 HD11 LEU 30 HD11 LEU 30 -3.298 -3.230 5.402 236 HD12 LEU 30 HD12 LEU 30 -3.126 -1.497 5.123 237 HD13 LEU 30 HD13 LEU 30 -4.721 -2.247 5.058 238 HD21 LEU 30 HD21 LEU 30 -4.115 -3.977 7.926 239 HD22 LEU 30 HD22 LEU 30 -5.515 -3.492 6.969 240 HD23 LEU 30 HD23 LEU 30 -5.261 -2.796 8.560 241 H THR 31 H THR 31 -2.086 0.714 9.939 242 HA THR 31 HA THR 31 -4.601 1.445 11.045 243 HB THR 31 HB THR 31 -3.721 3.613 11.287 244 HG1 THR 31 HG1 THR 31 -1.983 4.271 9.807 245 HG21 THR 31 HG21 THR 31 -1.460 3.323 11.990 246 HG22 THR 31 HG22 THR 31 -1.192 2.019 10.835 247 HG23 THR 31 HG23 THR 31 -2.238 1.759 12.232 248 HA PRO 32 HA PRO 32 -7.336 2.231 7.607 249 HB2 PRO 32 HB2 PRO 32 -7.532 5.046 8.680 250 HB3 PRO 32 HB3 PRO 32 -8.832 3.951 8.161 251 HG2 PRO 32 HG2 PRO 32 -8.315 4.326 10.745 252 HG3 PRO 32 HG3 PRO 32 -8.764 2.726 10.125 253 HD2 PRO 32 HD2 PRO 32 -6.084 3.695 11.044 254 HD3 PRO 32 HD3 PRO 32 -6.762 2.050 11.048 255 H LYS 33 H LYS 33 -5.103 4.930 8.320 256 HA LYS 33 HA LYS 33 -5.065 6.149 5.785 257 HB2 LYS 33 HB2 LYS 33 -2.780 5.787 7.748 258 HB3 LYS 33 HB3 LYS 33 -2.769 6.913 6.390 259 HG2 LYS 33 HG2 LYS 33 -4.656 8.131 7.308 260 HG3 LYS 33 HG3 LYS 33 -4.849 6.939 8.594 261 HD2 LYS 33 HD2 LYS 33 -2.690 7.531 9.539 262 HD3 LYS 33 HD3 LYS 33 -2.360 8.621 8.192 263 HE2 LYS 33 HE2 LYS 33 -3.131 9.919 10.113 264 HE3 LYS 33 HE3 LYS 33 -4.352 9.972 8.842 265 HZ1 LYS 33 HZ1 LYS 33 -5.492 9.512 10.829 266 HZ2 LYS 33 HZ2 LYS 33 -4.365 8.339 11.312 267 HZ3 LYS 33 HZ3 LYS 33 -5.406 8.027 10.007 268 H GLU 34 H GLU 34 -2.929 3.531 6.976 269 HA GLU 34 HA GLU 34 -1.430 3.170 4.616 270 HB2 GLU 34 HB2 GLU 34 -2.289 1.291 6.823 271 HB3 GLU 34 HB3 GLU 34 -1.374 0.673 5.448 272 HG2 GLU 34 HG2 GLU 34 0.171 1.261 7.237 273 HG3 GLU 34 HG3 GLU 34 0.387 2.382 5.896 274 H TYR 35 H TYR 35 -4.611 1.815 5.481 275 HA TYR 35 HA TYR 35 -4.910 0.101 3.250 276 HB2 TYR 35 HB2 TYR 35 -6.458 0.392 5.302 277 HB3 TYR 35 HB3 TYR 35 -7.190 1.724 4.411 278 HD1 TYR 35 HD1 TYR 35 -8.012 1.227 1.986 279 HD2 TYR 35 HD2 TYR 35 -7.165 -1.833 4.885 280 HE1 TYR 35 HE1 TYR 35 -9.368 -0.386 0.685 281 HE2 TYR 35 HE2 TYR 35 -8.535 -3.440 3.581 282 HH TYR 35 HH TYR 35 -10.273 -3.464 1.941 283 H ALA 36 H ALA 36 -5.201 3.603 3.499 284 HA ALA 36 HA ALA 36 -6.530 3.993 0.968 285 HB1 ALA 36 HB1 ALA 36 -5.881 6.332 1.208 286 HB2 ALA 36 HB2 ALA 36 -4.708 5.907 2.453 287 HB3 ALA 36 HB3 ALA 36 -6.433 5.719 2.767 288 H LEU 37 H LEU 37 -3.076 4.323 1.910 289 HA LEU 37 HA LEU 37 -2.079 4.853 -0.698 290 HB2 LEU 37 HB2 LEU 37 -0.804 3.363 1.619 291 HB3 LEU 37 HB3 LEU 37 0.057 3.782 0.143 292 HG LEU 37 HG LEU 37 -0.565 6.187 0.552 293 HD11 LEU 37 HD11 LEU 37 -1.665 4.964 3.083 294 HD12 LEU 37 HD12 LEU 37 -2.395 6.169 2.025 295 HD13 LEU 37 HD13 LEU 37 -1.066 6.621 3.083 296 HD21 LEU 37 HD21 LEU 37 1.044 4.835 2.741 297 HD22 LEU 37 HD22 LEU 37 1.185 6.520 2.240 298 HD23 LEU 37 HD23 LEU 37 1.656 5.230 1.135 299 H LEU 38 H LEU 38 -2.834 1.837 0.957 300 HA LEU 38 HA LEU 38 -1.860 0.009 -0.972 301 HB2 LEU 38 HB2 LEU 38 -2.737 -0.549 1.331 302 HB3 LEU 38 HB3 LEU 38 -4.361 -0.288 0.708 303 HG LEU 38 HG LEU 38 -3.822 -2.047 -1.077 304 HD11 LEU 38 HD11 LEU 38 -1.461 -2.271 -1.024 305 HD12 LEU 38 HD12 LEU 38 -2.034 -3.717 -0.207 306 HD13 LEU 38 HD13 LEU 38 -1.416 -2.362 0.734 307 HD21 LEU 38 HD21 LEU 38 -3.944 -2.750 1.866 308 HD22 LEU 38 HD22 LEU 38 -4.162 -3.936 0.580 309 HD23 LEU 38 HD23 LEU 38 -5.296 -2.596 0.745 310 H SER 39 H SER 39 -5.001 1.648 -0.697 311 HA SER 39 HA SER 39 -6.398 0.434 -2.789 312 HB2 SER 39 HB2 SER 39 -7.786 2.357 -2.827 313 HB3 SER 39 HB3 SER 39 -7.162 2.296 -1.182 314 HG SER 39 HG SER 39 -5.377 3.622 -2.492 315 H ARG 40 H ARG 40 -3.942 3.019 -3.019 316 HA ARG 40 HA ARG 40 -4.289 3.238 -5.926 317 HB2 ARG 40 HB2 ARG 40 -3.481 5.106 -4.377 318 HB3 ARG 40 HB3 ARG 40 -1.952 4.235 -4.276 319 HG2 ARG 40 HG2 ARG 40 -1.495 5.673 -6.062 320 HG3 ARG 40 HG3 ARG 40 -2.101 4.270 -6.937 321 HD2 ARG 40 HD2 ARG 40 -4.354 5.303 -7.020 322 HD3 ARG 40 HD3 ARG 40 -3.739 6.703 -6.143 323 HE ARG 40 HE ARG 40 -2.160 6.236 -8.503 324 HH11 ARG 40 HH11 ARG 40 -5.206 7.372 -7.353 325 HH12 ARG 40 HH12 ARG 40 -5.457 8.451 -8.684 326 HH21 ARG 40 HH21 ARG 40 -2.470 7.637 -10.248 327 HH22 ARG 40 HH22 ARG 40 -3.908 8.600 -10.323 328 H LEU 41 H LEU 41 -1.897 1.757 -3.742 329 HA LEU 41 HA LEU 41 -0.084 0.888 -5.740 330 HB2 LEU 41 HB2 LEU 41 -0.813 -0.271 -3.049 331 HB3 LEU 41 HB3 LEU 41 0.473 -0.941 -4.038 332 HG LEU 41 HG LEU 41 0.447 2.014 -3.376 333 HD11 LEU 41 HD11 LEU 41 1.978 1.441 -1.453 334 HD12 LEU 41 HD12 LEU 41 1.492 -0.243 -1.645 335 HD13 LEU 41 HD13 LEU 41 0.296 0.976 -1.206 336 HD21 LEU 41 HD21 LEU 41 2.598 -0.012 -4.096 337 HD22 LEU 41 HD22 LEU 41 2.956 1.619 -3.541 338 HD23 LEU 41 HD23 LEU 41 2.080 1.377 -5.045 339 H MET 42 H MET 42 -2.898 -0.841 -4.338 340 HA MET 42 HA MET 42 -2.548 -3.154 -6.002 341 HB2 MET 42 HB2 MET 42 -4.735 -3.826 -5.233 342 HB3 MET 42 HB3 MET 42 -3.895 -3.079 -3.877 343 HG2 MET 42 HG2 MET 42 -5.047 -0.898 -4.536 344 HG3 MET 42 HG3 MET 42 -6.059 -1.861 -5.611 345 HE1 MET 42 HE1 MET 42 -8.648 -1.240 -3.039 346 HE2 MET 42 HE2 MET 42 -8.576 -2.169 -4.542 347 HE3 MET 42 HE3 MET 42 -7.771 -0.606 -4.427 348 H MET 43 H MET 43 -4.357 -0.151 -6.402 349 HA MET 43 HA MET 43 -5.947 -0.831 -8.625 350 HB2 MET 43 HB2 MET 43 -5.969 1.371 -7.375 351 HB3 MET 43 HB3 MET 43 -4.512 1.814 -8.263 352 HG2 MET 43 HG2 MET 43 -5.729 1.484 -10.398 353 HG3 MET 43 HG3 MET 43 -7.190 1.096 -9.492 354 HE1 MET 43 HE1 MET 43 -7.582 2.849 -11.465 355 HE2 MET 43 HE2 MET 43 -7.949 4.523 -11.024 356 HE3 MET 43 HE3 MET 43 -8.839 3.197 -10.279 357 H LYS 44 H LYS 44 -2.534 -0.203 -8.364 358 HA LYS 44 HA LYS 44 -2.192 -0.746 -11.308 359 HB2 LYS 44 HB2 LYS 44 -0.737 1.142 -9.443 360 HB3 LYS 44 HB3 LYS 44 -0.049 0.635 -10.987 361 HG2 LYS 44 HG2 LYS 44 -2.074 1.481 -12.148 362 HG3 LYS 44 HG3 LYS 44 -2.714 2.030 -10.600 363 HD2 LYS 44 HD2 LYS 44 -0.682 3.461 -10.318 364 HD3 LYS 44 HD3 LYS 44 -0.166 2.985 -11.937 365 HE2 LYS 44 HE2 LYS 44 -2.333 3.870 -12.830 366 HE3 LYS 44 HE3 LYS 44 -2.710 4.465 -11.214 367 HZ1 LYS 44 HZ1 LYS 44 -0.930 5.542 -13.185 368 HZ2 LYS 44 HZ2 LYS 44 -0.196 5.381 -11.664 369 HZ3 LYS 44 HZ3 LYS 44 -1.623 6.289 -11.825 370 H ALA 45 H ALA 45 -2.297 -2.855 -9.438 371 HA ALA 45 HA ALA 45 0.266 -3.567 -8.384 372 HB1 ALA 45 HB1 ALA 45 -1.679 -4.706 -7.549 373 HB2 ALA 45 HB2 ALA 45 -0.706 -5.912 -8.387 374 HB3 ALA 45 HB3 ALA 45 -2.135 -5.234 -9.168 375 H GLY 46 H GLY 46 2.017 -4.491 -9.359 376 HA2 GLY 46 HA2 GLY 46 3.085 -5.953 -10.981 377 HA3 GLY 46 HA3 GLY 46 1.732 -5.701 -12.080 378 H SER 47 H SER 47 2.159 -2.701 -11.042 379 HA SER 47 HA SER 47 4.373 -2.035 -12.965 380 HB2 SER 47 HB2 SER 47 2.954 0.074 -13.411 381 HB3 SER 47 HB3 SER 47 2.374 -1.435 -14.109 382 HG SER 47 HG SER 47 1.245 -1.527 -11.894 383 HA PRO 48 HA PRO 48 5.915 0.305 -9.500 384 HB2 PRO 48 HB2 PRO 48 7.457 2.189 -10.720 385 HB3 PRO 48 HB3 PRO 48 7.897 0.468 -10.729 386 HG2 PRO 48 HG2 PRO 48 6.516 2.064 -12.858 387 HG3 PRO 48 HG3 PRO 48 7.868 0.924 -13.016 388 HD2 PRO 48 HD2 PRO 48 5.301 0.187 -13.565 389 HD3 PRO 48 HD3 PRO 48 6.478 -0.954 -12.876 390 H VAL 49 H VAL 49 4.637 1.645 -8.294 391 HA VAL 49 HA VAL 49 3.139 3.830 -9.621 392 HB VAL 49 HB VAL 49 2.980 2.676 -6.826 393 HG11 VAL 49 HG11 VAL 49 2.305 4.971 -6.676 394 HG12 VAL 49 HG12 VAL 49 0.816 4.035 -6.783 395 HG13 VAL 49 HG13 VAL 49 1.428 4.884 -8.203 396 HG21 VAL 49 HG21 VAL 49 2.118 1.123 -8.453 397 HG22 VAL 49 HG22 VAL 49 1.268 2.407 -9.313 398 HG23 VAL 49 HG23 VAL 49 0.728 1.912 -7.710 399 H HIS 50 H HIS 50 3.592 5.978 -9.248 400 HA HIS 50 HA HIS 50 6.130 6.725 -8.169 401 HB2 HIS 50 HB2 HIS 50 4.658 8.051 -9.805 402 HB3 HIS 50 HB3 HIS 50 3.729 8.561 -8.398 403 HD1 HIS 50 HD1 HIS 50 5.024 10.841 -9.731 404 HD2 HIS 50 HD2 HIS 50 7.133 8.517 -6.982 405 HE1 HIS 50 HE1 HIS 50 6.957 12.266 -8.919 406 HE2 HIS 50 HE2 HIS 50 8.246 10.860 -7.246 407 H ARG 51 H ARG 51 6.686 6.750 -6.064 408 HA ARG 51 HA ARG 51 4.944 6.231 -3.908 409 HB2 ARG 51 HB2 ARG 51 6.838 7.157 -2.483 410 HB3 ARG 51 HB3 ARG 51 7.297 5.868 -3.597 411 HG2 ARG 51 HG2 ARG 51 8.218 7.440 -5.166 412 HG3 ARG 51 HG3 ARG 51 7.556 8.809 -4.272 413 HD2 ARG 51 HD2 ARG 51 10.005 8.424 -3.853 414 HD3 ARG 51 HD3 ARG 51 9.020 8.368 -2.392 415 HE ARG 51 HE ARG 51 9.156 5.721 -3.291 416 HH11 ARG 51 HH11 ARG 51 11.319 8.248 -2.381 417 HH12 ARG 51 HH12 ARG 51 12.532 7.171 -1.773 418 HH21 ARG 51 HH21 ARG 51 10.728 4.302 -2.502 419 HH22 ARG 51 HH22 ARG 51 12.198 4.937 -1.842 420 H GLU 52 H GLU 52 5.533 9.126 -5.651 421 HA GLU 52 HA GLU 52 4.871 11.026 -3.611 422 HB2 GLU 52 HB2 GLU 52 5.878 11.353 -6.029 423 HB3 GLU 52 HB3 GLU 52 4.194 11.473 -6.525 424 HG2 GLU 52 HG2 GLU 52 5.573 13.190 -4.435 425 HG3 GLU 52 HG3 GLU 52 5.084 13.706 -6.049 426 H ILE 53 H ILE 53 2.870 9.445 -6.131 427 HA ILE 53 HA ILE 53 0.400 10.644 -5.421 428 HB ILE 53 HB ILE 53 0.903 7.875 -6.541 429 HG12 ILE 53 HG12 ILE 53 0.207 10.438 -8.009 430 HG13 ILE 53 HG13 ILE 53 1.866 9.880 -7.799 431 HG21 ILE 53 HG21 ILE 53 -1.562 9.633 -6.412 432 HG22 ILE 53 HG22 ILE 53 -1.368 8.015 -5.741 433 HG23 ILE 53 HG23 ILE 53 -1.422 8.245 -7.488 434 HD11 ILE 53 HD11 ILE 53 0.988 9.126 -9.965 435 HD12 ILE 53 HD12 ILE 53 -0.366 8.338 -9.154 436 HD13 ILE 53 HD13 ILE 53 1.277 7.743 -8.908 437 H LEU 54 H LEU 54 2.143 7.959 -3.950 438 HA LEU 54 HA LEU 54 -0.094 6.988 -2.385 439 HB2 LEU 54 HB2 LEU 54 2.834 6.765 -1.638 440 HB3 LEU 54 HB3 LEU 54 1.517 5.683 -1.189 441 HG LEU 54 HG LEU 54 2.592 6.112 -3.992 442 HD11 LEU 54 HD11 LEU 54 3.987 4.759 -2.331 443 HD12 LEU 54 HD12 LEU 54 3.512 3.906 -3.800 444 HD13 LEU 54 HD13 LEU 54 2.652 3.608 -2.288 445 HD21 LEU 54 HD21 LEU 54 1.060 4.062 -4.418 446 HD22 LEU 54 HD22 LEU 54 0.281 5.634 -4.259 447 HD23 LEU 54 HD23 LEU 54 0.268 4.502 -2.905 448 H TYR 55 H TYR 55 2.267 9.547 -1.990 449 HA TYR 55 HA TYR 55 1.725 9.991 0.831 450 HB2 TYR 55 HB2 TYR 55 3.777 10.798 -0.500 451 HB3 TYR 55 HB3 TYR 55 2.736 12.073 -1.131 452 HD1 TYR 55 HD1 TYR 55 3.659 10.471 2.137 453 HD2 TYR 55 HD2 TYR 55 2.634 14.103 0.078 454 HE1 TYR 55 HE1 TYR 55 4.026 11.759 4.223 455 HE2 TYR 55 HE2 TYR 55 3.003 15.387 2.166 456 HH TYR 55 HH TYR 55 3.741 13.754 5.224 457 H ASN 56 H ASN 56 0.387 11.101 -2.208 458 HA ASN 56 HA ASN 56 -1.236 13.219 -1.193 459 HB2 ASN 56 HB2 ASN 56 -1.622 11.444 -3.620 460 HB3 ASN 56 HB3 ASN 56 -2.517 12.931 -3.308 461 HD21 ASN 56 HD21 ASN 56 0.774 11.671 -3.952 462 HD22 ASN 56 HD22 ASN 56 1.401 13.150 -4.502 463 H ASP 57 H ASP 57 -1.572 9.766 -1.070 464 HA ASP 57 HA ASP 57 -4.385 9.515 -0.888 465 HB2 ASP 57 HB2 ASP 57 -2.157 7.973 0.457 466 HB3 ASP 57 HB3 ASP 57 -3.853 7.523 0.638 467 H ILE 58 H ILE 58 -2.081 9.909 1.814 468 HA ILE 58 HA ILE 58 -4.206 10.394 3.721 469 HB ILE 58 HB ILE 58 -1.317 11.206 4.125 470 HG12 ILE 58 HG12 ILE 58 -2.514 8.417 4.253 471 HG13 ILE 58 HG13 ILE 58 -1.258 8.969 3.146 472 HG21 ILE 58 HG21 ILE 58 -3.148 11.679 5.841 473 HG22 ILE 58 HG22 ILE 58 -1.776 10.745 6.431 474 HG23 ILE 58 HG23 ILE 58 -3.291 9.932 6.040 475 HD11 ILE 58 HD11 ILE 58 -1.059 8.641 6.146 476 HD12 ILE 58 HD12 ILE 58 0.136 9.536 5.206 477 HD13 ILE 58 HD13 ILE 58 -0.118 7.817 4.903 478 H TYR 59 H TYR 59 -2.025 12.490 1.875 479 HA TYR 59 HA TYR 59 -3.380 14.913 3.014 480 HB2 TYR 59 HB2 TYR 59 -0.806 14.617 1.436 481 HB3 TYR 59 HB3 TYR 59 -1.470 16.146 2.011 482 HD1 TYR 59 HD1 TYR 59 -1.929 16.388 4.534 483 HD2 TYR 59 HD2 TYR 59 0.553 13.299 2.873 484 HE1 TYR 59 HE1 TYR 59 -0.880 16.037 6.754 485 HE2 TYR 59 HE2 TYR 59 1.603 12.948 5.093 486 HH TYR 59 HH TYR 59 1.645 14.983 7.445 487 H SER 60 H SER 60 -4.868 15.917 1.757 488 HA SER 60 HA SER 60 -4.581 15.865 -1.205 489 HB2 SER 60 HB2 SER 60 -7.006 14.870 0.315 490 HB3 SER 60 HB3 SER 60 -7.034 15.286 -1.396 491 HG SER 60 HG SER 60 -5.247 13.424 -0.210 492 H TRP 61 H TRP 61 -4.557 17.810 1.198 493 HA TRP 61 HA TRP 61 -5.831 19.997 -0.196 494 HB2 TRP 61 HB2 TRP 61 -7.559 20.515 1.482 495 HB3 TRP 61 HB3 TRP 61 -7.852 18.934 0.759 496 HD1 TRP 61 HD1 TRP 61 -7.662 16.825 2.280 497 HE1 TRP 61 HE1 TRP 61 -7.363 16.491 4.818 498 HE3 TRP 61 HE3 TRP 61 -6.390 21.577 3.652 499 HZ2 TRP 61 HZ2 TRP 61 -6.674 18.035 7.126 500 HZ3 TRP 61 HZ3 TRP 61 -5.918 22.117 6.023 501 HH2 TRP 61 HH2 TRP 61 -6.059 20.355 7.761 502 H ASP 62 H ASP 62 -4.024 18.655 2.399 503 HA ASP 62 HA ASP 62 -3.585 21.143 3.844 504 HB2 ASP 62 HB2 ASP 62 -3.328 18.812 4.816 505 HB3 ASP 62 HB3 ASP 62 -1.841 18.668 3.878 506 H ASN 63 H ASN 63 -1.641 19.208 1.570 507 HA ASN 63 HA ASN 63 0.244 19.802 0.295 508 HB2 ASN 63 HB2 ASN 63 -1.197 22.472 0.325 509 HB3 ASN 63 HB3 ASN 63 0.085 22.015 -0.797 510 HD21 ASN 63 HD21 ASN 63 -0.826 19.224 -1.114 511 HD22 ASN 63 HD22 ASN 63 -2.258 19.283 -2.023 512 H GLU 64 H GLU 64 1.947 19.649 1.780 513 HA GLU 64 HA GLU 64 3.207 22.144 2.552 514 HB2 GLU 64 HB2 GLU 64 1.419 21.809 4.334 515 HB3 GLU 64 HB3 GLU 64 2.296 20.362 4.827 516 HG2 GLU 64 HG2 GLU 64 3.077 22.139 6.236 517 HG3 GLU 64 HG3 GLU 64 4.360 21.834 5.065 518 HA PRO 65 HA PRO 65 5.811 18.312 1.618 519 HB2 PRO 65 HB2 PRO 65 7.451 20.663 0.675 520 HB3 PRO 65 HB3 PRO 65 7.273 19.053 -0.058 521 HG2 PRO 65 HG2 PRO 65 5.965 21.117 -1.071 522 HG3 PRO 65 HG3 PRO 65 5.165 19.539 -0.922 523 HD2 PRO 65 HD2 PRO 65 4.788 22.004 0.758 524 HD3 PRO 65 HD3 PRO 65 3.595 20.770 0.285 525 H ALA 66 H ALA 66 6.264 17.893 3.839 526 HA ALA 66 HA ALA 66 7.838 19.727 5.455 527 HB1 ALA 66 HB1 ALA 66 7.106 16.808 5.827 528 HB2 ALA 66 HB2 ALA 66 6.314 18.201 6.564 529 HB3 ALA 66 HB3 ALA 66 7.959 17.772 7.033 530 H THR 67 H THR 67 8.572 17.306 3.112 531 HA THR 67 HA THR 67 10.612 16.441 2.356 532 HB THR 67 HB THR 67 11.960 18.711 3.842 533 HG1 THR 67 HG1 THR 67 10.233 18.779 1.629 534 HG21 THR 67 HG21 THR 67 12.435 17.358 1.166 535 HG22 THR 67 HG22 THR 67 13.430 17.195 2.614 536 HG23 THR 67 HG23 THR 67 13.349 18.739 1.768 537 H ASN 68 H ASN 68 9.595 16.152 5.348 538 HA ASN 68 HA ASN 68 11.714 14.298 6.113 539 HB2 ASN 68 HB2 ASN 68 12.602 16.544 6.854 540 HB3 ASN 68 HB3 ASN 68 11.207 16.673 7.926 541 HD21 ASN 68 HD21 ASN 68 12.295 16.429 9.948 542 HD22 ASN 68 HD22 ASN 68 13.148 15.026 10.378 543 H THR 69 H THR 69 11.120 13.164 8.166 544 HA THR 69 HA THR 69 9.588 12.156 9.606 545 HB THR 69 HB THR 69 7.463 14.194 8.926 546 HG1 THR 69 HG1 THR 69 9.008 15.052 10.912 547 HG21 THR 69 HG21 THR 69 8.376 13.032 11.570 548 HG22 THR 69 HG22 THR 69 7.096 12.331 10.580 549 HG23 THR 69 HG23 THR 69 6.900 13.946 11.259 550 H LEU 70 H LEU 70 8.599 13.094 6.369 551 HA LEU 70 HA LEU 70 6.353 11.293 6.228 552 HB2 LEU 70 HB2 LEU 70 6.371 11.688 3.840 553 HB3 LEU 70 HB3 LEU 70 6.676 13.210 4.660 554 HG LEU 70 HG LEU 70 8.829 11.440 3.437 555 HD11 LEU 70 HD11 LEU 70 7.532 13.996 2.460 556 HD12 LEU 70 HD12 LEU 70 7.397 12.402 1.718 557 HD13 LEU 70 HD13 LEU 70 8.948 13.241 1.728 558 HD21 LEU 70 HD21 LEU 70 10.112 13.706 3.694 559 HD22 LEU 70 HD22 LEU 70 9.901 12.714 5.131 560 HD23 LEU 70 HD23 LEU 70 8.860 14.111 4.866 561 H GLU 71 H GLU 71 9.809 10.940 5.452 562 HA GLU 71 HA GLU 71 9.519 8.293 4.338 563 HB2 GLU 71 HB2 GLU 71 11.967 9.564 5.596 564 HB3 GLU 71 HB3 GLU 71 11.949 8.184 4.498 565 HG2 GLU 71 HG2 GLU 71 10.856 9.673 2.778 566 HG3 GLU 71 HG3 GLU 71 11.143 11.033 3.863 567 H VAL 72 H VAL 72 9.812 9.566 7.579 568 HA VAL 72 HA VAL 72 10.574 7.038 8.792 569 HB VAL 72 HB VAL 72 9.295 9.473 10.041 570 HG11 VAL 72 HG11 VAL 72 10.785 7.100 11.190 571 HG12 VAL 72 HG12 VAL 72 9.113 7.562 11.507 572 HG13 VAL 72 HG13 VAL 72 10.435 8.565 12.107 573 HG21 VAL 72 HG21 VAL 72 12.225 8.714 9.857 574 HG22 VAL 72 HG22 VAL 72 11.565 10.178 10.587 575 HG23 VAL 72 HG23 VAL 72 11.448 9.931 8.844 576 H HIS 73 H HIS 73 7.530 8.865 8.540 577 HA HIS 73 HA HIS 73 5.875 6.991 9.898 578 HB2 HIS 73 HB2 HIS 73 5.246 8.806 7.543 579 HB3 HIS 73 HB3 HIS 73 4.026 7.918 8.455 580 HD1 HIS 73 HD1 HIS 73 5.771 8.430 11.209 581 HD2 HIS 73 HD2 HIS 73 4.176 11.279 8.612 582 HE1 HIS 73 HE1 HIS 73 5.527 10.568 12.549 583 HE2 HIS 73 HE2 HIS 73 4.557 12.307 10.978 584 H ILE 74 H ILE 74 7.081 7.163 6.618 585 HA ILE 74 HA ILE 74 5.611 4.893 5.613 586 HB ILE 74 HB ILE 74 8.164 6.236 4.681 587 HG12 ILE 74 HG12 ILE 74 5.409 6.128 3.415 588 HG13 ILE 74 HG13 ILE 74 5.906 7.410 4.516 589 HG21 ILE 74 HG21 ILE 74 8.363 3.977 3.896 590 HG22 ILE 74 HG22 ILE 74 7.724 4.900 2.538 591 HG23 ILE 74 HG23 ILE 74 6.647 3.890 3.504 592 HD11 ILE 74 HD11 ILE 74 6.186 7.846 1.990 593 HD12 ILE 74 HD12 ILE 74 7.543 6.723 2.070 594 HD13 ILE 74 HD13 ILE 74 7.563 8.204 3.027 595 H HIS 75 H HIS 75 8.804 5.272 7.137 596 HA HIS 75 HA HIS 75 9.635 2.562 6.811 597 HB2 HIS 75 HB2 HIS 75 10.247 4.574 8.995 598 HB3 HIS 75 HB3 HIS 75 11.058 3.014 8.848 599 HD1 HIS 75 HD1 HIS 75 13.089 4.994 8.540 600 HD2 HIS 75 HD2 HIS 75 10.563 4.189 5.319 601 HE1 HIS 75 HE1 HIS 75 14.280 5.833 6.466 602 HE2 HIS 75 HE2 HIS 75 12.751 5.349 4.500 603 H ASN 76 H ASN 76 7.570 4.129 9.187 604 HA ASN 76 HA ASN 76 7.319 1.773 10.879 605 HB2 ASN 76 HB2 ASN 76 5.654 4.298 10.656 606 HB3 ASN 76 HB3 ASN 76 5.390 3.049 11.873 607 HD21 ASN 76 HD21 ASN 76 6.323 3.669 13.822 608 HD22 ASN 76 HD22 ASN 76 7.803 4.484 13.981 609 H LEU 77 H LEU 77 5.389 3.268 8.308 610 HA LEU 77 HA LEU 77 3.234 1.361 8.463 611 HB2 LEU 77 HB2 LEU 77 2.335 2.966 7.104 612 HB3 LEU 77 HB3 LEU 77 3.908 3.727 6.953 613 HG LEU 77 HG LEU 77 4.438 2.228 5.047 614 HD11 LEU 77 HD11 LEU 77 2.116 0.770 5.970 615 HD12 LEU 77 HD12 LEU 77 3.233 0.355 4.679 616 HD13 LEU 77 HD13 LEU 77 1.805 1.316 4.320 617 HD21 LEU 77 HD21 LEU 77 2.732 3.268 3.475 618 HD22 LEU 77 HD22 LEU 77 3.567 4.404 4.535 619 HD23 LEU 77 HD23 LEU 77 1.918 3.902 4.906 620 H ARG 78 H ARG 78 6.188 1.550 6.497 621 HA ARG 78 HA ARG 78 5.804 -0.588 4.755 622 HB2 ARG 78 HB2 ARG 78 7.813 0.936 4.862 623 HB3 ARG 78 HB3 ARG 78 8.396 -0.032 6.217 624 HG2 ARG 78 HG2 ARG 78 8.376 -2.047 4.802 625 HG3 ARG 78 HG3 ARG 78 7.770 -1.095 3.446 626 HD2 ARG 78 HD2 ARG 78 10.391 -0.559 4.873 627 HD3 ARG 78 HD3 ARG 78 10.247 -1.451 3.359 628 HE ARG 78 HE ARG 78 8.940 0.997 2.933 629 HH11 ARG 78 HH11 ARG 78 12.062 -0.167 3.824 630 HH12 ARG 78 HH12 ARG 78 12.909 1.158 3.100 631 HH21 ARG 78 HH21 ARG 78 10.031 2.735 1.983 632 HH22 ARG 78 HH22 ARG 78 11.760 2.801 2.058 633 H GLU 79 H GLU 79 7.173 -0.779 8.061 634 HA GLU 79 HA GLU 79 7.475 -3.614 8.082 635 HB2 GLU 79 HB2 GLU 79 6.986 -1.710 10.390 636 HB3 GLU 79 HB3 GLU 79 7.548 -3.375 10.552 637 HG2 GLU 79 HG2 GLU 79 9.529 -2.830 9.166 638 HG3 GLU 79 HG3 GLU 79 8.978 -1.158 9.058 639 H LYS 80 H LYS 80 4.638 -1.614 8.617 640 HA LYS 80 HA LYS 80 3.097 -3.668 9.936 641 HB2 LYS 80 HB2 LYS 80 2.293 -1.126 8.508 642 HB3 LYS 80 HB3 LYS 80 1.143 -2.178 9.333 643 HG2 LYS 80 HG2 LYS 80 2.409 -1.915 11.437 644 HG3 LYS 80 HG3 LYS 80 3.551 -0.852 10.615 645 HD2 LYS 80 HD2 LYS 80 1.598 0.643 10.029 646 HD3 LYS 80 HD3 LYS 80 0.601 -0.355 11.088 647 HE2 LYS 80 HE2 LYS 80 2.047 0.158 12.991 648 HE3 LYS 80 HE3 LYS 80 3.129 1.082 11.948 649 HZ1 LYS 80 HZ1 LYS 80 1.757 2.828 11.935 650 HZ2 LYS 80 HZ2 LYS 80 1.073 2.128 13.320 651 HZ3 LYS 80 HZ3 LYS 80 0.359 1.872 11.800 652 H ILE 81 H ILE 81 3.266 -2.540 6.555 653 HA ILE 81 HA ILE 81 1.262 -4.415 5.645 654 HB ILE 81 HB ILE 81 2.160 -3.810 3.353 655 HG12 ILE 81 HG12 ILE 81 3.879 -1.908 4.965 656 HG13 ILE 81 HG13 ILE 81 4.494 -3.366 4.188 657 HG21 ILE 81 HG21 ILE 81 1.516 -1.505 5.220 658 HG22 ILE 81 HG22 ILE 81 0.323 -2.560 4.463 659 HG23 ILE 81 HG23 ILE 81 1.324 -1.503 3.467 660 HD11 ILE 81 HD11 ILE 81 4.859 -1.416 2.736 661 HD12 ILE 81 HD12 ILE 81 3.136 -1.044 2.783 662 HD13 ILE 81 HD13 ILE 81 3.697 -2.516 1.999 663 H GLY 82 H GLY 82 4.637 -4.682 6.344 664 HA2 GLY 82 HA2 GLY 82 5.958 -6.641 6.346 665 HA3 GLY 82 HA3 GLY 82 4.590 -7.525 5.668 666 H LYS 83 H LYS 83 7.235 -5.340 4.869 667 HA LYS 83 HA LYS 83 6.915 -5.137 2.096 668 HB2 LYS 83 HB2 LYS 83 9.364 -4.818 1.986 669 HB3 LYS 83 HB3 LYS 83 8.661 -3.928 3.337 670 HG2 LYS 83 HG2 LYS 83 9.227 -5.902 4.813 671 HG3 LYS 83 HG3 LYS 83 10.124 -6.577 3.453 672 HD2 LYS 83 HD2 LYS 83 11.441 -4.424 3.364 673 HD3 LYS 83 HD3 LYS 83 10.657 -3.957 4.873 674 HE2 LYS 83 HE2 LYS 83 11.524 -6.033 5.936 675 HE3 LYS 83 HE3 LYS 83 12.370 -6.420 4.437 676 HZ1 LYS 83 HZ1 LYS 83 14.033 -5.196 5.207 677 HZ2 LYS 83 HZ2 LYS 83 13.109 -4.611 6.504 678 HZ3 LYS 83 HZ3 LYS 83 13.052 -3.824 5.000 679 H SER 84 H SER 84 7.646 -7.937 3.949 680 HA SER 84 HA SER 84 9.174 -9.507 2.203 681 HB2 SER 84 HB2 SER 84 6.840 -10.416 3.909 682 HB3 SER 84 HB3 SER 84 8.088 -11.464 3.241 683 HG SER 84 HG SER 84 8.736 -10.952 5.283 684 H ARG 85 H ARG 85 5.625 -9.087 2.222 685 HA ARG 85 HA ARG 85 5.399 -10.659 -0.284 686 HB2 ARG 85 HB2 ARG 85 3.419 -9.365 1.600 687 HB3 ARG 85 HB3 ARG 85 2.904 -9.933 0.013 688 HG2 ARG 85 HG2 ARG 85 2.526 -11.702 1.643 689 HG3 ARG 85 HG3 ARG 85 3.827 -12.192 0.565 690 HD2 ARG 85 HD2 ARG 85 5.498 -11.730 2.198 691 HD3 ARG 85 HD3 ARG 85 4.369 -10.827 3.210 692 HE ARG 85 HE ARG 85 3.691 -12.877 4.143 693 HH11 ARG 85 HH11 ARG 85 5.209 -13.304 1.076 694 HH12 ARG 85 HH12 ARG 85 5.171 -15.034 1.149 695 HH21 ARG 85 HH21 ARG 85 3.632 -15.134 4.254 696 HH22 ARG 85 HH22 ARG 85 4.278 -16.069 2.948 697 H ILE 86 H ILE 86 6.565 -7.714 0.156 698 HA ILE 86 HA ILE 86 5.147 -6.522 -2.220 699 HB ILE 86 HB ILE 86 6.683 -4.865 -0.209 700 HG12 ILE 86 HG12 ILE 86 5.028 -6.184 1.111 701 HG13 ILE 86 HG13 ILE 86 4.660 -4.468 1.087 702 HG21 ILE 86 HG21 ILE 86 6.035 -3.767 -2.267 703 HG22 ILE 86 HG22 ILE 86 5.050 -3.135 -0.950 704 HG23 ILE 86 HG23 ILE 86 4.367 -4.306 -2.076 705 HD11 ILE 86 HD11 ILE 86 2.638 -5.867 0.740 706 HD12 ILE 86 HD12 ILE 86 3.362 -6.528 -0.719 707 HD13 ILE 86 HD13 ILE 86 2.955 -4.817 -0.636 708 H ARG 87 H ARG 87 6.637 -5.017 -3.455 709 HA ARG 87 HA ARG 87 9.519 -5.794 -3.329 710 HB2 ARG 87 HB2 ARG 87 7.747 -5.952 -5.790 711 HB3 ARG 87 HB3 ARG 87 9.507 -6.041 -5.830 712 HG2 ARG 87 HG2 ARG 87 9.336 -7.986 -4.199 713 HG3 ARG 87 HG3 ARG 87 7.596 -7.970 -4.490 714 HD2 ARG 87 HD2 ARG 87 8.600 -9.595 -5.985 715 HD3 ARG 87 HD3 ARG 87 8.069 -8.214 -6.946 716 HE ARG 87 HE ARG 87 10.328 -7.799 -7.475 717 HH11 ARG 87 HH11 ARG 87 10.003 -9.798 -4.682 718 HH12 ARG 87 HH12 ARG 87 11.702 -10.094 -4.533 719 HH21 ARG 87 HH21 ARG 87 12.549 -8.176 -7.294 720 HH22 ARG 87 HH22 ARG 87 13.144 -9.176 -6.012 721 H THR 88 H THR 88 10.524 -3.866 -3.080 722 HA THR 88 HA THR 88 9.289 -1.377 -4.020 723 HB THR 88 HB THR 88 10.916 -0.279 -2.738 724 HG1 THR 88 HG1 THR 88 12.562 -2.563 -3.071 725 HG21 THR 88 HG21 THR 88 11.056 -1.422 -0.658 726 HG22 THR 88 HG22 THR 88 11.053 -3.004 -1.438 727 HG23 THR 88 HG23 THR 88 9.582 -2.032 -1.408 728 H VAL 89 H VAL 89 9.903 -0.199 -5.807 729 HA VAL 89 HA VAL 89 11.915 -1.445 -7.648 730 HB VAL 89 HB VAL 89 9.744 0.598 -8.209 731 HG11 VAL 89 HG11 VAL 89 11.661 -0.933 -9.988 732 HG12 VAL 89 HG12 VAL 89 11.562 0.817 -9.788 733 HG13 VAL 89 HG13 VAL 89 10.256 -0.054 -10.592 734 HG21 VAL 89 HG21 VAL 89 8.641 -1.323 -9.365 735 HG22 VAL 89 HG22 VAL 89 8.786 -1.575 -7.625 736 HG23 VAL 89 HG23 VAL 89 9.895 -2.388 -8.729 737 H ARG 90 H ARG 90 13.804 -0.514 -6.725 738 HA ARG 90 HA ARG 90 15.374 1.175 -6.271 739 HB2 ARG 90 HB2 ARG 90 13.932 2.070 -8.766 740 HB3 ARG 90 HB3 ARG 90 15.132 3.140 -8.045 741 HG2 ARG 90 HG2 ARG 90 16.226 1.780 -9.730 742 HG3 ARG 90 HG3 ARG 90 16.792 1.258 -8.145 743 HD2 ARG 90 HD2 ARG 90 16.219 -0.647 -9.664 744 HD3 ARG 90 HD3 ARG 90 15.272 -0.644 -8.179 745 HE ARG 90 HE ARG 90 13.347 -0.294 -9.493 746 HH11 ARG 90 HH11 ARG 90 16.233 0.554 -11.179 747 HH12 ARG 90 HH12 ARG 90 15.425 0.854 -12.681 748 HH21 ARG 90 HH21 ARG 90 12.277 0.093 -11.449 749 HH22 ARG 90 HH22 ARG 90 13.187 0.595 -12.834 750 H GLY 91 H GLY 91 15.413 3.823 -6.099 751 HA2 GLY 91 HA2 GLY 91 13.381 4.414 -4.037 752 HA3 GLY 91 HA3 GLY 91 14.792 5.401 -4.423 753 H PHE 92 H PHE 92 11.984 4.225 -6.312 754 HA PHE 92 HA PHE 92 11.349 7.042 -7.034 755 HB2 PHE 92 HB2 PHE 92 12.594 6.193 -8.923 756 HB3 PHE 92 HB3 PHE 92 11.669 4.693 -8.918 757 HD1 PHE 92 HD1 PHE 92 9.342 4.634 -9.693 758 HD2 PHE 92 HD2 PHE 92 11.634 8.265 -9.799 759 HE1 PHE 92 HE1 PHE 92 7.650 5.658 -11.188 760 HE2 PHE 92 HE2 PHE 92 9.941 9.290 -11.296 761 HZ PHE 92 HZ PHE 92 7.947 7.985 -11.988 762 H GLY 93 H GLY 93 10.261 3.729 -6.539 763 HA2 GLY 93 HA2 GLY 93 7.601 4.703 -5.862 764 HA3 GLY 93 HA3 GLY 93 7.619 3.858 -7.409 765 H TYR 94 H TYR 94 6.268 2.225 -6.534 766 HA TYR 94 HA TYR 94 7.746 0.105 -5.080 767 HB2 TYR 94 HB2 TYR 94 5.266 1.518 -4.078 768 HB3 TYR 94 HB3 TYR 94 5.532 -0.175 -3.666 769 HD1 TYR 94 HD1 TYR 94 6.943 3.250 -3.403 770 HD2 TYR 94 HD2 TYR 94 7.192 -0.821 -2.061 771 HE1 TYR 94 HE1 TYR 94 8.499 3.937 -1.606 772 HE2 TYR 94 HE2 TYR 94 8.747 -0.137 -0.263 773 HH TYR 94 HH TYR 94 9.541 3.284 0.276 774 H MET 95 H MET 95 6.313 -1.937 -5.095 775 HA MET 95 HA MET 95 4.160 -2.016 -7.064 776 HB2 MET 95 HB2 MET 95 6.047 -1.874 -8.606 777 HB3 MET 95 HB3 MET 95 6.854 -3.208 -7.785 778 HG2 MET 95 HG2 MET 95 5.178 -4.772 -8.484 779 HG3 MET 95 HG3 MET 95 4.107 -3.481 -9.028 780 HE1 MET 95 HE1 MET 95 7.404 -5.138 -9.227 781 HE2 MET 95 HE2 MET 95 8.138 -3.618 -9.761 782 HE3 MET 95 HE3 MET 95 7.995 -4.972 -10.879 783 H LEU 96 H LEU 96 2.862 -3.674 -6.544 784 HA LEU 96 HA LEU 96 3.720 -5.593 -4.477 785 HB2 LEU 96 HB2 LEU 96 1.114 -4.922 -5.852 786 HB3 LEU 96 HB3 LEU 96 1.252 -6.417 -4.928 787 HG LEU 96 HG LEU 96 1.875 -5.172 -2.924 788 HD11 LEU 96 HD11 LEU 96 3.136 -3.340 -3.842 789 HD12 LEU 96 HD12 LEU 96 1.747 -2.638 -3.022 790 HD13 LEU 96 HD13 LEU 96 1.754 -2.782 -4.781 791 HD21 LEU 96 HD21 LEU 96 -0.542 -4.015 -4.349 792 HD22 LEU 96 HD22 LEU 96 -0.237 -3.872 -2.617 793 HD23 LEU 96 HD23 LEU 96 -0.517 -5.458 -3.336 794 H ALA 97 H ALA 97 3.955 -7.825 -4.799 795 HA ALA 97 HA ALA 97 4.687 -8.656 -7.492 796 HB1 ALA 97 HB1 ALA 97 4.459 -10.157 -4.869 797 HB2 ALA 97 HB2 ALA 97 5.934 -9.583 -5.647 798 HB3 ALA 97 HB3 ALA 97 5.012 -10.900 -6.370 799 H ASN 98 H ASN 98 3.226 -9.323 -8.983 800 HA ASN 98 HA ASN 98 0.463 -9.777 -8.394 801 HB2 ASN 98 HB2 ASN 98 2.069 -10.703 -10.797 802 HB3 ASN 98 HB3 ASN 98 0.310 -10.592 -10.712 803 HD21 ASN 98 HD21 ASN 98 0.963 -8.034 -8.918 804 HD22 ASN 98 HD22 ASN 98 1.179 -6.828 -10.094 805 H ASN 99 H ASN 99 3.220 -11.793 -8.070 806 HA ASN 99 HA ASN 99 1.677 -13.937 -6.924 807 HB2 ASN 99 HB2 ASN 99 2.289 -15.669 -8.643 808 HB3 ASN 99 HB3 ASN 99 1.120 -14.481 -9.221 809 HD21 ASN 99 HD21 ASN 99 2.170 -12.526 -10.414 810 HD22 ASN 99 HD22 ASN 99 3.510 -12.863 -11.399 811 H ILE 100 H ILE 100 3.031 -14.879 -5.468 812 HA ILE 100 HA ILE 100 5.762 -14.142 -5.232 813 HB ILE 100 HB ILE 100 4.636 -16.736 -4.156 814 HG12 ILE 100 HG12 ILE 100 2.932 -15.097 -3.675 815 HG13 ILE 100 HG13 ILE 100 3.850 -15.361 -2.197 816 HG21 ILE 100 HG21 ILE 100 7.028 -16.266 -3.772 817 HG22 ILE 100 HG22 ILE 100 6.122 -16.220 -2.260 818 HG23 ILE 100 HG23 ILE 100 6.608 -14.716 -3.043 819 HD11 ILE 100 HD11 ILE 100 4.016 -13.011 -4.093 820 HD12 ILE 100 HD12 ILE 100 5.264 -13.332 -2.889 821 HD13 ILE 100 HD13 ILE 100 3.612 -12.997 -2.377 822 H ASP 101 H ASP 101 4.233 -16.313 -7.290 823 HA ASP 101 HA ASP 101 6.541 -18.082 -7.727 824 HB2 ASP 101 HB2 ASP 101 4.030 -17.759 -9.400 825 HB3 ASP 101 HB3 ASP 101 5.167 -19.108 -9.453 826 H THR 102 H THR 102 5.719 -14.955 -8.665 827 HA THR 102 HA THR 102 6.444 -14.774 -11.373 828 HB THR 102 HB THR 102 5.611 -12.868 -9.999 829 HG1 THR 102 HG1 THR 102 6.444 -11.910 -11.661 830 HG21 THR 102 HG21 THR 102 7.042 -11.715 -8.468 831 HG22 THR 102 HG22 THR 102 8.446 -12.661 -8.963 832 HG23 THR 102 HG23 THR 102 7.148 -13.423 -8.042 833 H GLU 103 H GLU 103 8.415 -14.676 -12.469 834 HA GLU 103 HA GLU 103 10.671 -15.203 -12.848 835 HB2 GLU 103 HB2 GLU 103 10.835 -13.016 -11.573 836 HB3 GLU 103 HB3 GLU 103 11.096 -13.970 -10.112 837 HG2 GLU 103 HG2 GLU 103 13.075 -15.011 -11.111 838 HG3 GLU 103 HG3 GLU 103 12.799 -14.135 -12.616 Start of MODEL 8 1 H1 ASN 1 H1 ASN 1 -25.354 2.346 -0.225 2 H2 ASN 1 H2 ASN 1 -24.057 1.961 0.802 3 H3 ASN 1 H3 ASN 1 -24.824 0.741 -0.096 4 HA ASN 1 HA ASN 1 -23.904 1.425 -2.096 5 HB2 ASN 1 HB2 ASN 1 -23.271 4.005 -0.632 6 HB3 ASN 1 HB3 ASN 1 -22.719 3.634 -2.265 7 HD21 ASN 1 HD21 ASN 1 -25.722 3.988 -0.325 8 HD22 ASN 1 HD22 ASN 1 -26.700 4.436 -1.639 9 H GLN 2 H GLN 2 -21.408 1.945 -2.584 10 HA GLN 2 HA GLN 2 -19.278 1.019 -2.300 11 HB2 GLN 2 HB2 GLN 2 -19.828 2.310 0.382 12 HB3 GLN 2 HB3 GLN 2 -18.249 1.654 -0.054 13 HG2 GLN 2 HG2 GLN 2 -18.302 4.049 -0.544 14 HG3 GLN 2 HG3 GLN 2 -18.218 3.141 -2.053 15 HE21 GLN 2 HE21 GLN 2 -20.663 4.618 0.151 16 HE22 GLN 2 HE22 GLN 2 -21.742 5.038 -1.090 17 H GLY 3 H GLY 3 -21.583 -0.724 -1.654 18 HA2 GLY 3 HA2 GLY 3 -20.587 -2.441 0.542 19 HA3 GLY 3 HA3 GLY 3 -22.068 -2.691 -0.384 20 H ASP 4 H ASP 4 -20.858 -2.458 -2.988 21 HA ASP 4 HA ASP 4 -19.437 -5.097 -3.106 22 HB2 ASP 4 HB2 ASP 4 -20.838 -3.531 -5.296 23 HB3 ASP 4 HB3 ASP 4 -20.166 -5.155 -5.443 24 H ASN 5 H ASN 5 -17.262 -4.489 -2.830 25 HA ASN 5 HA ASN 5 -15.944 -3.339 -5.128 26 HB2 ASN 5 HB2 ASN 5 -16.784 -1.249 -4.113 27 HB3 ASN 5 HB3 ASN 5 -16.002 -1.675 -2.591 28 HD21 ASN 5 HD21 ASN 5 -14.272 -2.628 -5.444 29 HD22 ASN 5 HD22 ASN 5 -13.108 -1.392 -5.407 30 H GLU 6 H GLU 6 -14.487 -5.048 -5.060 31 HA GLU 6 HA GLU 6 -12.417 -4.953 -3.002 32 HB2 GLU 6 HB2 GLU 6 -12.740 -7.279 -2.220 33 HB3 GLU 6 HB3 GLU 6 -14.125 -6.266 -1.823 34 HG2 GLU 6 HG2 GLU 6 -15.136 -8.211 -2.694 35 HG3 GLU 6 HG3 GLU 6 -15.131 -7.121 -4.078 36 H ILE 7 H ILE 7 -10.594 -6.313 -3.551 37 HA ILE 7 HA ILE 7 -10.677 -7.752 -6.144 38 HB ILE 7 HB ILE 7 -8.692 -6.501 -6.979 39 HG12 ILE 7 HG12 ILE 7 -9.265 -4.743 -4.569 40 HG13 ILE 7 HG13 ILE 7 -7.813 -5.705 -4.839 41 HG21 ILE 7 HG21 ILE 7 -10.973 -4.610 -6.342 42 HG22 ILE 7 HG22 ILE 7 -11.097 -5.887 -7.552 43 HG23 ILE 7 HG23 ILE 7 -9.922 -4.590 -7.758 44 HD11 ILE 7 HD11 ILE 7 -7.463 -4.362 -6.974 45 HD12 ILE 7 HD12 ILE 7 -7.256 -3.462 -5.473 46 HD13 ILE 7 HD13 ILE 7 -8.740 -3.287 -6.406 47 H SER 8 H SER 8 -8.600 -8.976 -6.475 48 HA SER 8 HA SER 8 -6.978 -9.377 -4.004 49 HB2 SER 8 HB2 SER 8 -8.400 -11.641 -5.435 50 HB3 SER 8 HB3 SER 8 -7.329 -11.793 -4.045 51 HG SER 8 HG SER 8 -8.824 -10.855 -2.779 52 H VAL 9 H VAL 9 -5.035 -10.606 -4.416 53 HA VAL 9 HA VAL 9 -4.279 -11.077 -7.247 54 HB VAL 9 HB VAL 9 -2.683 -9.242 -5.426 55 HG11 VAL 9 HG11 VAL 9 -2.316 -10.147 -8.298 56 HG12 VAL 9 HG12 VAL 9 -1.263 -10.516 -6.933 57 HG13 VAL 9 HG13 VAL 9 -1.378 -8.863 -7.537 58 HG21 VAL 9 HG21 VAL 9 -4.486 -8.682 -7.799 59 HG22 VAL 9 HG22 VAL 9 -3.290 -7.527 -7.209 60 HG23 VAL 9 HG23 VAL 9 -4.620 -8.025 -6.167 61 H GLY 10 H GLY 10 -3.873 -13.248 -6.857 62 HA2 GLY 10 HA2 GLY 10 -2.558 -15.076 -6.166 63 HA3 GLY 10 HA3 GLY 10 -1.456 -13.926 -5.404 64 H ASN 11 H ASN 11 -1.500 -13.793 -3.209 65 HA ASN 11 HA ASN 11 -3.733 -15.168 -1.741 66 HB2 ASN 11 HB2 ASN 11 -2.060 -15.277 0.130 67 HB3 ASN 11 HB3 ASN 11 -1.585 -16.188 -1.303 68 HD21 ASN 11 HD21 ASN 11 -0.220 -14.273 0.961 69 HD22 ASN 11 HD22 ASN 11 0.967 -13.489 0.033 70 H LEU 12 H LEU 12 -2.889 -12.137 -2.658 71 HA LEU 12 HA LEU 12 -3.388 -10.801 -0.050 72 HB2 LEU 12 HB2 LEU 12 -2.606 -9.838 -2.814 73 HB3 LEU 12 HB3 LEU 12 -3.051 -8.718 -1.530 74 HG LEU 12 HG LEU 12 -1.233 -9.516 -0.128 75 HD11 LEU 12 HD11 LEU 12 -1.063 -11.833 -0.584 76 HD12 LEU 12 HD12 LEU 12 0.431 -11.167 -1.231 77 HD13 LEU 12 HD13 LEU 12 -0.894 -11.573 -2.320 78 HD21 LEU 12 HD21 LEU 12 -0.460 -8.886 -2.992 79 HD22 LEU 12 HD22 LEU 12 0.713 -8.954 -1.680 80 HD23 LEU 12 HD23 LEU 12 -0.587 -7.765 -1.637 81 H ARG 13 H ARG 13 -5.469 -10.249 0.480 82 HA ARG 13 HA ARG 13 -7.474 -9.881 -1.745 83 HB2 ARG 13 HB2 ARG 13 -7.897 -10.952 1.050 84 HB3 ARG 13 HB3 ARG 13 -9.186 -10.603 -0.094 85 HG2 ARG 13 HG2 ARG 13 -8.255 -12.230 -1.673 86 HG3 ARG 13 HG3 ARG 13 -6.914 -12.554 -0.573 87 HD2 ARG 13 HD2 ARG 13 -8.561 -14.298 -0.261 88 HD3 ARG 13 HD3 ARG 13 -8.604 -13.255 1.160 89 HE ARG 13 HE ARG 13 -10.522 -12.192 -0.568 90 HH11 ARG 13 HH11 ARG 13 -9.820 -15.222 0.923 91 HH12 ARG 13 HH12 ARG 13 -11.480 -15.709 1.020 92 HH21 ARG 13 HH21 ARG 13 -12.691 -12.811 -0.451 93 HH22 ARG 13 HH22 ARG 13 -13.105 -14.344 0.242 94 H LEU 14 H LEU 14 -8.362 -7.906 -1.856 95 HA LEU 14 HA LEU 14 -8.062 -6.038 0.482 96 HB2 LEU 14 HB2 LEU 14 -6.722 -5.355 -1.449 97 HB3 LEU 14 HB3 LEU 14 -8.122 -5.495 -2.504 98 HG LEU 14 HG LEU 14 -9.241 -3.660 -1.302 99 HD11 LEU 14 HD11 LEU 14 -7.709 -2.340 0.333 100 HD12 LEU 14 HD12 LEU 14 -6.782 -3.836 0.449 101 HD13 LEU 14 HD13 LEU 14 -8.477 -3.806 0.934 102 HD21 LEU 14 HD21 LEU 14 -6.392 -3.055 -2.147 103 HD22 LEU 14 HD22 LEU 14 -7.660 -1.845 -1.949 104 HD23 LEU 14 HD23 LEU 14 -7.811 -3.085 -3.193 105 H ASN 15 H ASN 15 -9.955 -5.328 1.350 106 HA ASN 15 HA ASN 15 -12.479 -5.530 -0.290 107 HB2 ASN 15 HB2 ASN 15 -11.955 -6.209 2.612 108 HB3 ASN 15 HB3 ASN 15 -13.579 -5.832 2.041 109 HD21 ASN 15 HD21 ASN 15 -10.992 -7.648 0.321 110 HD22 ASN 15 HD22 ASN 15 -11.892 -9.079 0.170 111 H VAL 16 H VAL 16 -12.594 -3.382 -0.900 112 HA VAL 16 HA VAL 16 -12.067 -1.164 0.881 113 HB VAL 16 HB VAL 16 -13.747 -1.199 -1.638 114 HG11 VAL 16 HG11 VAL 16 -12.222 0.973 -0.169 115 HG12 VAL 16 HG12 VAL 16 -13.971 0.862 -0.371 116 HG13 VAL 16 HG13 VAL 16 -12.939 1.177 -1.767 117 HG21 VAL 16 HG21 VAL 16 -11.590 -2.178 -2.156 118 HG22 VAL 16 HG22 VAL 16 -10.751 -0.922 -1.245 119 HG23 VAL 16 HG23 VAL 16 -11.584 -0.516 -2.745 120 H THR 17 H THR 17 -14.842 -3.142 0.152 121 HA THR 17 HA THR 17 -16.876 -1.396 1.123 122 HB THR 17 HB THR 17 -17.829 -3.171 -0.027 123 HG1 THR 17 HG1 THR 17 -17.920 -4.785 2.151 124 HG21 THR 17 HG21 THR 17 -15.906 -4.475 -0.503 125 HG22 THR 17 HG22 THR 17 -16.986 -5.574 0.350 126 HG23 THR 17 HG23 THR 17 -15.626 -4.843 1.196 127 H ARG 18 H ARG 18 -15.213 -4.125 2.754 128 HA ARG 18 HA ARG 18 -16.260 -3.200 5.374 129 HB2 ARG 18 HB2 ARG 18 -14.406 -5.531 4.800 130 HB3 ARG 18 HB3 ARG 18 -15.374 -5.263 6.250 131 HG2 ARG 18 HG2 ARG 18 -17.439 -5.459 4.899 132 HG3 ARG 18 HG3 ARG 18 -16.461 -5.763 3.463 133 HD2 ARG 18 HD2 ARG 18 -15.439 -7.727 4.705 134 HD3 ARG 18 HD3 ARG 18 -16.672 -7.486 5.943 135 HE ARG 18 HE ARG 18 -17.833 -7.696 3.293 136 HH11 ARG 18 HH11 ARG 18 -16.500 -9.407 5.974 137 HH12 ARG 18 HH12 ARG 18 -17.384 -10.862 5.656 138 HH21 ARG 18 HH21 ARG 18 -18.994 -9.588 2.862 139 HH22 ARG 18 HH22 ARG 18 -18.795 -10.964 3.894 140 H ARG 19 H ARG 19 -13.556 -2.779 3.382 141 HA ARG 19 HA ARG 19 -11.546 -1.653 3.697 142 HB2 ARG 19 HB2 ARG 19 -13.189 -0.177 5.124 143 HB3 ARG 19 HB3 ARG 19 -12.397 -0.924 6.506 144 HG2 ARG 19 HG2 ARG 19 -11.047 0.960 6.218 145 HG3 ARG 19 HG3 ARG 19 -10.168 -0.213 5.241 146 HD2 ARG 19 HD2 ARG 19 -11.293 0.628 3.209 147 HD3 ARG 19 HD3 ARG 19 -12.208 1.775 4.185 148 HE ARG 19 HE ARG 19 -9.370 2.098 4.611 149 HH11 ARG 19 HH11 ARG 19 -11.980 2.681 2.434 150 HH12 ARG 19 HH12 ARG 19 -11.253 4.086 1.729 151 HH21 ARG 19 HH21 ARG 19 -8.406 3.929 3.702 152 HH22 ARG 19 HH22 ARG 19 -9.230 4.792 2.446 153 H LEU 20 H LEU 20 -11.092 -4.169 3.878 154 HA LEU 20 HA LEU 20 -9.355 -4.562 6.253 155 HB2 LEU 20 HB2 LEU 20 -11.337 -6.588 5.179 156 HB3 LEU 20 HB3 LEU 20 -10.111 -6.941 6.388 157 HG LEU 20 HG LEU 20 -12.268 -4.833 6.733 158 HD11 LEU 20 HD11 LEU 20 -13.362 -6.972 6.599 159 HD12 LEU 20 HD12 LEU 20 -13.270 -6.537 8.306 160 HD13 LEU 20 HD13 LEU 20 -12.146 -7.720 7.636 161 HD21 LEU 20 HD21 LEU 20 -11.584 -5.301 9.220 162 HD22 LEU 20 HD22 LEU 20 -10.526 -4.293 8.242 163 HD23 LEU 20 HD23 LEU 20 -10.115 -5.983 8.527 164 H VAL 21 H VAL 21 -7.595 -6.054 5.839 165 HA VAL 21 HA VAL 21 -7.200 -6.851 2.982 166 HB VAL 21 HB VAL 21 -5.038 -5.532 4.649 167 HG11 VAL 21 HG11 VAL 21 -5.338 -6.028 1.667 168 HG12 VAL 21 HG12 VAL 21 -4.319 -6.964 2.762 169 HG13 VAL 21 HG13 VAL 21 -3.953 -5.267 2.450 170 HG21 VAL 21 HG21 VAL 21 -5.495 -3.535 3.096 171 HG22 VAL 21 HG22 VAL 21 -6.651 -3.808 4.398 172 HG23 VAL 21 HG23 VAL 21 -7.047 -4.299 2.752 173 H TRP 22 H TRP 22 -6.530 -8.966 2.913 174 HA TRP 22 HA TRP 22 -5.427 -10.196 5.414 175 HB2 TRP 22 HB2 TRP 22 -6.652 -11.451 2.947 176 HB3 TRP 22 HB3 TRP 22 -5.963 -12.357 4.287 177 HD1 TRP 22 HD1 TRP 22 -7.428 -12.745 6.356 178 HE1 TRP 22 HE1 TRP 22 -9.802 -12.023 7.054 179 HE3 TRP 22 HE3 TRP 22 -8.431 -9.344 2.681 180 HZ2 TRP 22 HZ2 TRP 22 -11.856 -10.238 6.170 181 HZ3 TRP 22 HZ3 TRP 22 -10.596 -8.150 2.636 182 HH2 TRP 22 HH2 TRP 22 -12.313 -8.591 4.370 183 H LEU 23 H LEU 23 -3.509 -11.373 5.321 184 HA LEU 23 HA LEU 23 -1.861 -11.145 2.817 185 HB2 LEU 23 HB2 LEU 23 -1.038 -9.468 4.368 186 HB3 LEU 23 HB3 LEU 23 -1.068 -10.615 5.703 187 HG LEU 23 HG LEU 23 0.728 -11.918 4.688 188 HD11 LEU 23 HD11 LEU 23 1.844 -10.865 2.594 189 HD12 LEU 23 HD12 LEU 23 0.317 -10.010 2.376 190 HD13 LEU 23 HD13 LEU 23 0.353 -11.772 2.351 191 HD21 LEU 23 HD21 LEU 23 1.235 -8.928 4.763 192 HD22 LEU 23 HD22 LEU 23 2.519 -10.134 4.670 193 HD23 LEU 23 HD23 LEU 23 1.458 -10.081 6.078 194 H GLY 24 H GLY 24 -1.970 -13.315 2.199 195 HA2 GLY 24 HA2 GLY 24 -1.310 -15.594 2.340 196 HA3 GLY 24 HA3 GLY 24 -0.618 -15.260 3.932 197 H GLU 25 H GLU 25 -3.886 -14.755 2.688 198 HA GLU 25 HA GLU 25 -5.971 -15.481 3.449 199 HB2 GLU 25 HB2 GLU 25 -4.536 -17.813 4.737 200 HB3 GLU 25 HB3 GLU 25 -6.188 -17.749 4.128 201 HG2 GLU 25 HG2 GLU 25 -5.212 -17.322 1.823 202 HG3 GLU 25 HG3 GLU 25 -3.631 -17.700 2.506 203 H THR 26 H THR 26 -3.554 -14.442 5.471 204 HA THR 26 HA THR 26 -5.205 -14.736 7.961 205 HB THR 26 HB THR 26 -3.171 -13.946 9.138 206 HG1 THR 26 HG1 THR 26 -2.489 -13.256 6.680 207 HG21 THR 26 HG21 THR 26 -2.533 -16.251 7.286 208 HG22 THR 26 HG22 THR 26 -3.641 -16.388 8.650 209 HG23 THR 26 HG23 THR 26 -1.944 -15.998 8.928 210 H ALA 27 H ALA 27 -6.042 -12.949 8.987 211 HA ALA 27 HA ALA 27 -6.500 -10.576 7.473 212 HB1 ALA 27 HB1 ALA 27 -7.493 -9.686 9.513 213 HB2 ALA 27 HB2 ALA 27 -6.687 -10.922 10.478 214 HB3 ALA 27 HB3 ALA 27 -7.951 -11.380 9.338 215 H LEU 28 H LEU 28 -4.874 -9.190 6.921 216 HA LEU 28 HA LEU 28 -2.500 -8.856 8.585 217 HB2 LEU 28 HB2 LEU 28 -2.461 -8.675 6.087 218 HB3 LEU 28 HB3 LEU 28 -3.444 -7.221 6.208 219 HG LEU 28 HG LEU 28 -1.643 -6.167 7.596 220 HD11 LEU 28 HD11 LEU 28 0.673 -7.393 7.258 221 HD12 LEU 28 HD12 LEU 28 -0.326 -8.836 7.087 222 HD13 LEU 28 HD13 LEU 28 -0.386 -7.890 8.574 223 HD21 LEU 28 HD21 LEU 28 -0.199 -5.678 5.716 224 HD22 LEU 28 HD22 LEU 28 -1.830 -5.908 5.089 225 HD23 LEU 28 HD23 LEU 28 -0.632 -7.192 4.926 226 H ASP 29 H ASP 29 -2.160 -7.246 10.095 227 HA ASP 29 HA ASP 29 -4.436 -5.378 10.648 228 HB2 ASP 29 HB2 ASP 29 -2.045 -6.049 12.389 229 HB3 ASP 29 HB3 ASP 29 -3.502 -5.180 12.873 230 H LEU 30 H LEU 30 -4.146 -3.434 9.646 231 HA LEU 30 HA LEU 30 -1.532 -2.046 9.997 232 HB2 LEU 30 HB2 LEU 30 -1.384 -1.395 7.700 233 HB3 LEU 30 HB3 LEU 30 -1.625 -3.138 7.713 234 HG LEU 30 HG LEU 30 -3.745 -1.028 7.165 235 HD11 LEU 30 HD11 LEU 30 -3.775 -2.085 4.929 236 HD12 LEU 30 HD12 LEU 30 -2.467 -3.158 5.428 237 HD13 LEU 30 HD13 LEU 30 -2.186 -1.421 5.314 238 HD21 LEU 30 HD21 LEU 30 -4.950 -2.754 8.245 239 HD22 LEU 30 HD22 LEU 30 -3.915 -4.022 7.590 240 HD23 LEU 30 HD23 LEU 30 -5.077 -3.198 6.549 241 H THR 31 H THR 31 -1.696 0.233 10.004 242 HA THR 31 HA THR 31 -4.021 1.307 11.197 243 HB THR 31 HB THR 31 -2.938 3.559 10.459 244 HG1 THR 31 HG1 THR 31 -0.577 2.441 9.976 245 HG21 THR 31 HG21 THR 31 -2.555 2.568 12.671 246 HG22 THR 31 HG22 THR 31 -1.057 3.255 12.043 247 HG23 THR 31 HG23 THR 31 -1.315 1.511 11.996 248 HA PRO 32 HA PRO 32 -6.788 1.973 7.785 249 HB2 PRO 32 HB2 PRO 32 -7.896 4.448 8.423 250 HB3 PRO 32 HB3 PRO 32 -8.374 2.919 9.188 251 HG2 PRO 32 HG2 PRO 32 -6.456 5.000 10.171 252 HG3 PRO 32 HG3 PRO 32 -7.707 4.115 11.066 253 HD2 PRO 32 HD2 PRO 32 -5.122 3.392 11.247 254 HD3 PRO 32 HD3 PRO 32 -6.404 2.162 11.215 255 H LYS 33 H LYS 33 -4.654 4.696 8.626 256 HA LYS 33 HA LYS 33 -4.866 6.178 6.227 257 HB2 LYS 33 HB2 LYS 33 -2.444 5.706 7.996 258 HB3 LYS 33 HB3 LYS 33 -2.542 6.947 6.747 259 HG2 LYS 33 HG2 LYS 33 -4.285 8.111 7.892 260 HG3 LYS 33 HG3 LYS 33 -4.569 6.759 8.988 261 HD2 LYS 33 HD2 LYS 33 -3.288 8.612 10.062 262 HD3 LYS 33 HD3 LYS 33 -2.396 7.091 10.039 263 HE2 LYS 33 HE2 LYS 33 -1.128 9.239 9.325 264 HE3 LYS 33 HE3 LYS 33 -0.969 7.816 8.297 265 HZ1 LYS 33 HZ1 LYS 33 -1.659 10.204 7.379 266 HZ2 LYS 33 HZ2 LYS 33 -3.202 9.582 7.711 267 HZ3 LYS 33 HZ3 LYS 33 -2.162 8.753 6.654 268 H GLU 34 H GLU 34 -2.676 3.471 7.033 269 HA GLU 34 HA GLU 34 -1.333 3.361 4.534 270 HB2 GLU 34 HB2 GLU 34 -0.632 2.088 6.560 271 HB3 GLU 34 HB3 GLU 34 -2.041 1.048 6.372 272 HG2 GLU 34 HG2 GLU 34 -0.087 -0.054 5.409 273 HG3 GLU 34 HG3 GLU 34 -1.201 0.374 4.115 274 H TYR 35 H TYR 35 -4.397 1.910 5.604 275 HA TYR 35 HA TYR 35 -4.933 0.262 3.386 276 HB2 TYR 35 HB2 TYR 35 -6.337 0.565 5.511 277 HB3 TYR 35 HB3 TYR 35 -7.030 1.986 4.735 278 HD1 TYR 35 HD1 TYR 35 -8.080 1.676 2.370 279 HD2 TYR 35 HD2 TYR 35 -7.204 -1.591 5.028 280 HE1 TYR 35 HE1 TYR 35 -9.640 0.221 1.104 281 HE2 TYR 35 HE2 TYR 35 -8.778 -3.032 3.759 282 HH TYR 35 HH TYR 35 -10.257 -3.134 2.130 283 H ALA 36 H ALA 36 -5.120 3.769 3.690 284 HA ALA 36 HA ALA 36 -6.519 4.160 1.173 285 HB1 ALA 36 HB1 ALA 36 -6.431 5.808 3.114 286 HB2 ALA 36 HB2 ALA 36 -6.121 6.497 1.521 287 HB3 ALA 36 HB3 ALA 36 -4.779 6.172 2.618 288 H LEU 37 H LEU 37 -3.099 4.646 2.179 289 HA LEU 37 HA LEU 37 -2.115 5.243 -0.430 290 HB2 LEU 37 HB2 LEU 37 -0.815 3.981 1.999 291 HB3 LEU 37 HB3 LEU 37 0.083 4.270 0.514 292 HG LEU 37 HG LEU 37 -0.652 6.706 0.672 293 HD11 LEU 37 HD11 LEU 37 -1.211 7.397 3.077 294 HD12 LEU 37 HD12 LEU 37 -1.595 5.702 3.368 295 HD13 LEU 37 HD13 LEU 37 -2.503 6.621 2.169 296 HD21 LEU 37 HD21 LEU 37 1.608 5.990 1.295 297 HD22 LEU 37 HD22 LEU 37 1.042 5.542 2.904 298 HD23 LEU 37 HD23 LEU 37 1.047 7.235 2.410 299 H LEU 38 H LEU 38 -2.606 2.203 1.283 300 HA LEU 38 HA LEU 38 -1.510 0.492 -0.744 301 HB2 LEU 38 HB2 LEU 38 -2.194 0.076 1.797 302 HB3 LEU 38 HB3 LEU 38 -3.725 -0.421 1.094 303 HG LEU 38 HG LEU 38 -1.008 -1.554 0.345 304 HD11 LEU 38 HD11 LEU 38 -1.572 -2.242 2.585 305 HD12 LEU 38 HD12 LEU 38 -1.927 -3.600 1.517 306 HD13 LEU 38 HD13 LEU 38 -3.238 -2.585 2.119 307 HD21 LEU 38 HD21 LEU 38 -3.839 -2.104 -0.577 308 HD22 LEU 38 HD22 LEU 38 -2.606 -3.364 -0.660 309 HD23 LEU 38 HD23 LEU 38 -2.387 -1.861 -1.547 310 H SER 39 H SER 39 -4.831 1.581 -0.034 311 HA SER 39 HA SER 39 -6.291 0.085 -1.850 312 HB2 SER 39 HB2 SER 39 -7.391 1.644 -0.373 313 HB3 SER 39 HB3 SER 39 -6.596 3.012 -1.147 314 HG SER 39 HG SER 39 -7.818 2.713 -2.936 315 H ARG 40 H ARG 40 -4.385 3.026 -2.631 316 HA ARG 40 HA ARG 40 -5.195 2.863 -5.457 317 HB2 ARG 40 HB2 ARG 40 -4.595 5.027 -4.233 318 HB3 ARG 40 HB3 ARG 40 -2.913 4.497 -4.310 319 HG2 ARG 40 HG2 ARG 40 -3.256 4.218 -6.831 320 HG3 ARG 40 HG3 ARG 40 -4.779 5.082 -6.623 321 HD2 ARG 40 HD2 ARG 40 -3.557 6.994 -5.645 322 HD3 ARG 40 HD3 ARG 40 -2.035 6.131 -5.871 323 HE ARG 40 HE ARG 40 -3.512 7.529 -7.939 324 HH11 ARG 40 HH11 ARG 40 -1.481 4.837 -7.206 325 HH12 ARG 40 HH12 ARG 40 -0.838 4.718 -8.809 326 HH21 ARG 40 HH21 ARG 40 -2.681 7.386 -10.035 327 HH22 ARG 40 HH22 ARG 40 -1.516 6.159 -10.410 328 H LEU 41 H LEU 41 -2.428 1.938 -3.477 329 HA LEU 41 HA LEU 41 -0.621 1.321 -5.580 330 HB2 LEU 41 HB2 LEU 41 -0.063 1.415 -3.126 331 HB3 LEU 41 HB3 LEU 41 -0.894 -0.124 -2.933 332 HG LEU 41 HG LEU 41 0.664 -1.133 -4.605 333 HD11 LEU 41 HD11 LEU 41 1.763 1.671 -4.599 334 HD12 LEU 41 HD12 LEU 41 1.545 0.553 -5.945 335 HD13 LEU 41 HD13 LEU 41 2.876 0.321 -4.823 336 HD21 LEU 41 HD21 LEU 41 1.051 -1.307 -2.167 337 HD22 LEU 41 HD22 LEU 41 1.986 0.189 -2.214 338 HD23 LEU 41 HD23 LEU 41 2.574 -1.246 -3.053 339 H MET 42 H MET 42 -3.249 -0.552 -4.122 340 HA MET 42 HA MET 42 -2.618 -2.975 -5.603 341 HB2 MET 42 HB2 MET 42 -3.935 -2.863 -3.428 342 HB3 MET 42 HB3 MET 42 -5.284 -2.234 -4.373 343 HG2 MET 42 HG2 MET 42 -5.608 -4.609 -4.210 344 HG3 MET 42 HG3 MET 42 -5.059 -4.286 -5.854 345 HE1 MET 42 HE1 MET 42 -3.700 -4.902 -2.231 346 HE2 MET 42 HE2 MET 42 -2.946 -6.484 -2.472 347 HE3 MET 42 HE3 MET 42 -4.671 -6.274 -2.760 348 H MET 43 H MET 43 -4.832 -0.247 -6.032 349 HA MET 43 HA MET 43 -6.361 -1.182 -8.198 350 HB2 MET 43 HB2 MET 43 -6.590 1.053 -6.997 351 HB3 MET 43 HB3 MET 43 -5.259 1.635 -7.995 352 HG2 MET 43 HG2 MET 43 -6.606 0.907 -10.023 353 HG3 MET 43 HG3 MET 43 -7.963 0.643 -8.928 354 HE1 MET 43 HE1 MET 43 -8.695 2.181 -7.259 355 HE2 MET 43 HE2 MET 43 -8.881 3.926 -7.479 356 HE3 MET 43 HE3 MET 43 -7.407 3.277 -6.766 357 H LYS 44 H LYS 44 -3.037 -0.208 -8.035 358 HA LYS 44 HA LYS 44 -2.703 -0.697 -10.988 359 HB2 LYS 44 HB2 LYS 44 -1.377 1.230 -9.077 360 HB3 LYS 44 HB3 LYS 44 -0.542 0.729 -10.544 361 HG2 LYS 44 HG2 LYS 44 -3.383 1.750 -10.727 362 HG3 LYS 44 HG3 LYS 44 -2.057 2.898 -10.575 363 HD2 LYS 44 HD2 LYS 44 -0.967 1.867 -12.568 364 HD3 LYS 44 HD3 LYS 44 -2.359 0.801 -12.750 365 HE2 LYS 44 HE2 LYS 44 -3.831 2.654 -13.161 366 HE3 LYS 44 HE3 LYS 44 -2.588 3.818 -12.700 367 HZ1 LYS 44 HZ1 LYS 44 -3.090 2.999 -15.222 368 HZ2 LYS 44 HZ2 LYS 44 -1.778 2.014 -14.790 369 HZ3 LYS 44 HZ3 LYS 44 -1.636 3.705 -14.698 370 H ALA 45 H ALA 45 -2.759 -2.814 -9.123 371 HA ALA 45 HA ALA 45 -0.158 -3.513 -8.142 372 HB1 ALA 45 HB1 ALA 45 -2.580 -5.201 -8.811 373 HB2 ALA 45 HB2 ALA 45 -2.092 -4.620 -7.220 374 HB3 ALA 45 HB3 ALA 45 -1.127 -5.843 -8.044 375 H GLY 46 H GLY 46 1.521 -4.565 -9.129 376 HA2 GLY 46 HA2 GLY 46 2.553 -5.988 -10.782 377 HA3 GLY 46 HA3 GLY 46 1.133 -5.802 -11.811 378 H SER 47 H SER 47 1.442 -2.771 -10.981 379 HA SER 47 HA SER 47 3.492 -2.100 -13.079 380 HB2 SER 47 HB2 SER 47 2.094 -0.377 -13.849 381 HB3 SER 47 HB3 SER 47 0.917 -1.608 -13.411 382 HG SER 47 HG SER 47 1.807 0.518 -11.747 383 HA PRO 48 HA PRO 48 5.484 0.124 -9.774 384 HB2 PRO 48 HB2 PRO 48 6.922 2.006 -11.113 385 HB3 PRO 48 HB3 PRO 48 7.308 0.274 -11.224 386 HG2 PRO 48 HG2 PRO 48 5.738 1.975 -13.130 387 HG3 PRO 48 HG3 PRO 48 7.023 0.800 -13.477 388 HD2 PRO 48 HD2 PRO 48 4.378 0.165 -13.731 389 HD3 PRO 48 HD3 PRO 48 5.595 -1.037 -13.244 390 H VAL 49 H VAL 49 4.373 1.446 -8.384 391 HA VAL 49 HA VAL 49 2.912 3.807 -9.468 392 HB VAL 49 HB VAL 49 2.723 2.423 -6.783 393 HG11 VAL 49 HG11 VAL 49 1.223 4.748 -8.016 394 HG12 VAL 49 HG12 VAL 49 2.120 4.726 -6.498 395 HG13 VAL 49 HG13 VAL 49 0.605 3.836 -6.639 396 HG21 VAL 49 HG21 VAL 49 1.823 1.008 -8.526 397 HG22 VAL 49 HG22 VAL 49 0.970 2.369 -9.255 398 HG23 VAL 49 HG23 VAL 49 0.464 1.752 -7.683 399 H HIS 50 H HIS 50 3.543 5.869 -8.870 400 HA HIS 50 HA HIS 50 6.106 6.170 -7.531 401 HB2 HIS 50 HB2 HIS 50 5.004 7.713 -9.345 402 HB3 HIS 50 HB3 HIS 50 4.169 8.453 -7.982 403 HD1 HIS 50 HD1 HIS 50 6.305 8.566 -5.854 404 HD2 HIS 50 HD2 HIS 50 7.144 9.392 -9.854 405 HE1 HIS 50 HE1 HIS 50 8.404 9.983 -5.868 406 HE2 HIS 50 HE2 HIS 50 8.922 10.493 -8.297 407 H ARG 51 H ARG 51 6.407 6.307 -5.387 408 HA ARG 51 HA ARG 51 4.367 5.941 -3.468 409 HB2 ARG 51 HB2 ARG 51 6.088 6.567 -1.799 410 HB3 ARG 51 HB3 ARG 51 6.726 5.440 -2.996 411 HG2 ARG 51 HG2 ARG 51 7.593 7.438 -4.283 412 HG3 ARG 51 HG3 ARG 51 7.141 8.438 -2.901 413 HD2 ARG 51 HD2 ARG 51 8.564 6.931 -1.456 414 HD3 ARG 51 HD3 ARG 51 9.137 6.160 -2.936 415 HE ARG 51 HE ARG 51 10.500 8.045 -3.305 416 HH11 ARG 51 HH11 ARG 51 7.934 8.723 -1.102 417 HH12 ARG 51 HH12 ARG 51 8.501 10.316 -0.725 418 HH21 ARG 51 HH21 ARG 51 11.254 10.122 -2.824 419 HH22 ARG 51 HH22 ARG 51 10.380 11.107 -1.700 420 H GLU 52 H GLU 52 5.329 8.732 -5.169 421 HA GLU 52 HA GLU 52 4.624 10.728 -3.226 422 HB2 GLU 52 HB2 GLU 52 5.969 11.111 -5.343 423 HB3 GLU 52 HB3 GLU 52 4.454 10.996 -6.239 424 HG2 GLU 52 HG2 GLU 52 3.524 12.860 -4.926 425 HG3 GLU 52 HG3 GLU 52 5.028 12.973 -4.012 426 H ILE 53 H ILE 53 2.805 9.325 -5.984 427 HA ILE 53 HA ILE 53 0.399 10.748 -5.541 428 HB ILE 53 HB ILE 53 0.666 7.923 -6.602 429 HG12 ILE 53 HG12 ILE 53 0.672 10.529 -8.157 430 HG13 ILE 53 HG13 ILE 53 2.146 9.668 -7.719 431 HG21 ILE 53 HG21 ILE 53 -1.637 8.508 -6.135 432 HG22 ILE 53 HG22 ILE 53 -1.396 8.619 -7.877 433 HG23 ILE 53 HG23 ILE 53 -1.439 10.085 -6.898 434 HD11 ILE 53 HD11 ILE 53 1.415 9.064 -9.998 435 HD12 ILE 53 HD12 ILE 53 -0.135 8.521 -9.354 436 HD13 ILE 53 HD13 ILE 53 1.347 7.670 -8.920 437 H LEU 54 H LEU 54 1.755 8.047 -3.814 438 HA LEU 54 HA LEU 54 -0.739 7.211 -2.572 439 HB2 LEU 54 HB2 LEU 54 2.065 6.845 -1.484 440 HB3 LEU 54 HB3 LEU 54 0.643 5.876 -1.117 441 HG LEU 54 HG LEU 54 2.037 6.064 -3.802 442 HD11 LEU 54 HD11 LEU 54 2.714 3.798 -3.411 443 HD12 LEU 54 HD12 LEU 54 1.660 3.653 -2.005 444 HD13 LEU 54 HD13 LEU 54 3.093 4.677 -1.929 445 HD21 LEU 54 HD21 LEU 54 0.365 4.121 -4.295 446 HD22 LEU 54 HD22 LEU 54 -0.245 5.771 -4.351 447 HD23 LEU 54 HD23 LEU 54 -0.556 4.764 -2.936 448 H TYR 55 H TYR 55 1.995 9.195 -1.548 449 HA TYR 55 HA TYR 55 1.082 9.934 1.025 450 HB2 TYR 55 HB2 TYR 55 2.775 11.361 -1.028 451 HB3 TYR 55 HB3 TYR 55 2.306 12.214 0.442 452 HD1 TYR 55 HD1 TYR 55 2.662 10.898 2.694 453 HD2 TYR 55 HD2 TYR 55 4.727 10.020 -0.970 454 HE1 TYR 55 HE1 TYR 55 4.454 9.755 3.975 455 HE2 TYR 55 HE2 TYR 55 6.516 8.881 0.313 456 HH TYR 55 HH TYR 55 6.626 8.997 3.809 457 H ASN 56 H ASN 56 0.108 11.163 -2.123 458 HA ASN 56 HA ASN 56 -1.425 13.397 -1.229 459 HB2 ASN 56 HB2 ASN 56 -1.766 11.651 -3.683 460 HB3 ASN 56 HB3 ASN 56 -2.554 13.210 -3.439 461 HD21 ASN 56 HD21 ASN 56 0.613 11.655 -3.962 462 HD22 ASN 56 HD22 ASN 56 1.430 13.080 -4.392 463 H ASP 57 H ASP 57 -1.997 10.027 -1.116 464 HA ASP 57 HA ASP 57 -4.809 9.847 -1.189 465 HB2 ASP 57 HB2 ASP 57 -2.857 8.335 0.557 466 HB3 ASP 57 HB3 ASP 57 -4.569 7.941 0.457 467 H ILE 58 H ILE 58 -2.829 10.448 1.733 468 HA ILE 58 HA ILE 58 -5.278 11.308 3.180 469 HB ILE 58 HB ILE 58 -2.451 11.185 4.243 470 HG12 ILE 58 HG12 ILE 58 -2.935 8.987 3.362 471 HG13 ILE 58 HG13 ILE 58 -3.128 8.918 5.110 472 HG21 ILE 58 HG21 ILE 58 -5.108 10.878 5.667 473 HG22 ILE 58 HG22 ILE 58 -4.253 12.414 5.533 474 HG23 ILE 58 HG23 ILE 58 -3.515 11.068 6.398 475 HD11 ILE 58 HD11 ILE 58 -5.039 7.797 4.313 476 HD12 ILE 58 HD12 ILE 58 -5.261 8.926 2.978 477 HD13 ILE 58 HD13 ILE 58 -5.646 9.419 4.628 478 H TYR 59 H TYR 59 -2.196 12.700 2.052 479 HA TYR 59 HA TYR 59 -3.382 15.346 1.962 480 HB2 TYR 59 HB2 TYR 59 -2.021 16.404 3.702 481 HB3 TYR 59 HB3 TYR 59 -3.016 15.133 4.410 482 HD1 TYR 59 HD1 TYR 59 0.405 15.960 3.205 483 HD2 TYR 59 HD2 TYR 59 -2.018 13.197 5.432 484 HE1 TYR 59 HE1 TYR 59 2.451 14.841 4.047 485 HE2 TYR 59 HE2 TYR 59 0.029 12.080 6.272 486 HH TYR 59 HH TYR 59 2.435 12.687 6.635 487 H SER 60 H SER 60 -1.503 17.038 1.630 488 HA SER 60 HA SER 60 1.011 16.043 0.602 489 HB2 SER 60 HB2 SER 60 -0.057 15.321 -1.361 490 HB3 SER 60 HB3 SER 60 -1.254 16.611 -1.295 491 HG SER 60 HG SER 60 0.910 16.591 -2.711 492 H TRP 61 H TRP 61 -1.395 18.620 0.725 493 HA TRP 61 HA TRP 61 0.601 20.716 0.191 494 HB2 TRP 61 HB2 TRP 61 -1.301 22.259 0.691 495 HB3 TRP 61 HB3 TRP 61 -1.689 21.080 -0.561 496 HD1 TRP 61 HD1 TRP 61 -3.266 19.016 0.138 497 HE1 TRP 61 HE1 TRP 61 -5.035 18.800 2.001 498 HE3 TRP 61 HE3 TRP 61 -1.945 22.981 3.074 499 HZ2 TRP 61 HZ2 TRP 61 -5.789 20.132 4.417 500 HZ3 TRP 61 HZ3 TRP 61 -3.204 23.484 5.148 501 HH2 TRP 61 HH2 TRP 61 -5.123 22.067 5.823 502 H ASP 62 H ASP 62 -0.120 18.819 2.833 503 HA ASP 62 HA ASP 62 -0.110 20.702 4.985 504 HB2 ASP 62 HB2 ASP 62 0.867 17.834 4.872 505 HB3 ASP 62 HB3 ASP 62 0.678 18.762 6.360 506 H ASN 63 H ASN 63 2.605 18.485 4.486 507 HA ASN 63 HA ASN 63 4.520 20.695 4.160 508 HB2 ASN 63 HB2 ASN 63 5.831 19.871 6.209 509 HB3 ASN 63 HB3 ASN 63 4.370 20.803 6.540 510 HD21 ASN 63 HD21 ASN 63 5.665 17.475 6.461 511 HD22 ASN 63 HD22 ASN 63 4.461 16.810 7.457 512 H GLU 64 H GLU 64 5.236 19.667 2.282 513 HA GLU 64 HA GLU 64 5.867 16.831 2.234 514 HB2 GLU 64 HB2 GLU 64 6.883 18.818 0.200 515 HB3 GLU 64 HB3 GLU 64 6.399 17.139 -0.035 516 HG2 GLU 64 HG2 GLU 64 4.047 17.828 0.597 517 HG3 GLU 64 HG3 GLU 64 4.597 19.504 0.542 518 HA PRO 65 HA PRO 65 10.347 18.314 2.666 519 HB2 PRO 65 HB2 PRO 65 10.970 20.856 3.273 520 HB3 PRO 65 HB3 PRO 65 10.434 20.418 1.636 521 HG2 PRO 65 HG2 PRO 65 8.917 21.776 3.818 522 HG3 PRO 65 HG3 PRO 65 8.839 22.030 2.065 523 HD2 PRO 65 HD2 PRO 65 7.057 20.430 3.611 524 HD3 PRO 65 HD3 PRO 65 7.155 20.464 1.837 525 H ALA 66 H ALA 66 8.729 17.348 4.761 526 HA ALA 66 HA ALA 66 9.408 18.733 7.255 527 HB1 ALA 66 HB1 ALA 66 8.086 16.078 6.643 528 HB2 ALA 66 HB2 ALA 66 7.320 17.553 7.233 529 HB3 ALA 66 HB3 ALA 66 8.396 16.636 8.287 530 H THR 67 H THR 67 11.334 17.188 5.204 531 HA THR 67 HA THR 67 13.387 16.090 5.401 532 HB THR 67 HB THR 67 13.294 16.701 8.368 533 HG1 THR 67 HG1 THR 67 13.283 18.415 6.209 534 HG21 THR 67 HG21 THR 67 15.662 16.835 8.176 535 HG22 THR 67 HG22 THR 67 15.591 16.915 6.417 536 HG23 THR 67 HG23 THR 67 15.205 15.409 7.247 537 H ASN 68 H ASN 68 13.736 14.921 8.402 538 HA ASN 68 HA ASN 68 12.993 12.228 7.627 539 HB2 ASN 68 HB2 ASN 68 14.922 12.723 9.115 540 HB3 ASN 68 HB3 ASN 68 13.799 13.292 10.351 541 HD21 ASN 68 HD21 ASN 68 14.133 10.374 8.234 542 HD22 ASN 68 HD22 ASN 68 13.761 9.266 9.466 543 H THR 69 H THR 69 10.759 12.037 7.366 544 HA THR 69 HA THR 69 9.176 11.821 9.794 545 HB THR 69 HB THR 69 8.337 13.944 7.804 546 HG1 THR 69 HG1 THR 69 9.069 14.577 10.404 547 HG21 THR 69 HG21 THR 69 7.312 13.142 10.541 548 HG22 THR 69 HG22 THR 69 6.494 12.871 9.002 549 HG23 THR 69 HG23 THR 69 6.721 14.513 9.603 550 H LEU 70 H LEU 70 8.239 12.671 6.471 551 HA LEU 70 HA LEU 70 6.233 10.713 6.221 552 HB2 LEU 70 HB2 LEU 70 7.953 12.182 4.212 553 HB3 LEU 70 HB3 LEU 70 6.720 11.043 3.695 554 HG LEU 70 HG LEU 70 5.032 12.344 5.017 555 HD11 LEU 70 HD11 LEU 70 7.442 14.119 5.458 556 HD12 LEU 70 HD12 LEU 70 6.307 13.490 6.653 557 HD13 LEU 70 HD13 LEU 70 5.798 14.756 5.541 558 HD21 LEU 70 HD21 LEU 70 5.267 12.707 2.610 559 HD22 LEU 70 HD22 LEU 70 6.588 13.842 2.886 560 HD23 LEU 70 HD23 LEU 70 4.954 14.249 3.407 561 H GLU 71 H GLU 71 9.645 10.550 5.122 562 HA GLU 71 HA GLU 71 9.491 7.910 4.080 563 HB2 GLU 71 HB2 GLU 71 11.404 9.544 3.795 564 HB3 GLU 71 HB3 GLU 71 11.908 9.131 5.433 565 HG2 GLU 71 HG2 GLU 71 12.092 6.756 4.777 566 HG3 GLU 71 HG3 GLU 71 11.600 7.175 3.136 567 H VAL 72 H VAL 72 9.835 9.082 7.380 568 HA VAL 72 HA VAL 72 10.638 6.544 8.502 569 HB VAL 72 HB VAL 72 9.132 8.738 9.931 570 HG11 VAL 72 HG11 VAL 72 9.512 6.557 11.104 571 HG12 VAL 72 HG12 VAL 72 10.319 7.914 11.887 572 HG13 VAL 72 HG13 VAL 72 11.247 6.791 10.893 573 HG21 VAL 72 HG21 VAL 72 11.449 9.614 10.470 574 HG22 VAL 72 HG22 VAL 72 10.957 9.829 8.790 575 HG23 VAL 72 HG23 VAL 72 12.071 8.532 9.224 576 H HIS 73 H HIS 73 7.515 8.163 8.038 577 HA HIS 73 HA HIS 73 5.860 6.294 9.384 578 HB2 HIS 73 HB2 HIS 73 5.341 7.882 6.846 579 HB3 HIS 73 HB3 HIS 73 4.095 6.989 7.720 580 HD1 HIS 73 HD1 HIS 73 6.877 9.026 9.305 581 HD2 HIS 73 HD2 HIS 73 2.730 9.148 8.869 582 HE1 HIS 73 HE1 HIS 73 6.056 10.923 10.772 583 HE2 HIS 73 HE2 HIS 73 3.534 11.006 10.513 584 H ILE 74 H ILE 74 7.317 6.269 6.194 585 HA ILE 74 HA ILE 74 6.060 3.845 5.260 586 HB ILE 74 HB ILE 74 8.804 4.898 4.507 587 HG12 ILE 74 HG12 ILE 74 7.214 6.686 4.171 588 HG13 ILE 74 HG13 ILE 74 7.588 5.995 2.599 589 HG21 ILE 74 HG21 ILE 74 6.831 3.081 3.096 590 HG22 ILE 74 HG22 ILE 74 8.414 2.631 3.731 591 HG23 ILE 74 HG23 ILE 74 8.295 3.728 2.355 592 HD11 ILE 74 HD11 ILE 74 5.070 5.728 4.230 593 HD12 ILE 74 HD12 ILE 74 5.472 4.506 3.023 594 HD13 ILE 74 HD13 ILE 74 5.249 6.184 2.538 595 H HIS 75 H HIS 75 9.076 4.525 7.004 596 HA HIS 75 HA HIS 75 9.973 1.802 7.046 597 HB2 HIS 75 HB2 HIS 75 11.471 3.693 7.565 598 HB3 HIS 75 HB3 HIS 75 10.531 4.038 9.018 599 HD1 HIS 75 HD1 HIS 75 13.378 2.104 7.862 600 HD2 HIS 75 HD2 HIS 75 10.543 1.685 10.892 601 HE1 HIS 75 HE1 HIS 75 14.320 0.411 9.496 602 HE2 HIS 75 HE2 HIS 75 12.601 0.148 11.344 603 H ASN 76 H ASN 76 7.973 3.700 9.293 604 HA ASN 76 HA ASN 76 7.754 1.592 11.245 605 HB2 ASN 76 HB2 ASN 76 6.009 3.993 10.640 606 HB3 ASN 76 HB3 ASN 76 5.724 2.907 12.000 607 HD21 ASN 76 HD21 ASN 76 8.934 3.900 10.775 608 HD22 ASN 76 HD22 ASN 76 9.395 4.724 12.186 609 H LEU 77 H LEU 77 5.704 2.620 8.534 610 HA LEU 77 HA LEU 77 3.710 0.580 8.967 611 HB2 LEU 77 HB2 LEU 77 4.418 2.196 6.506 612 HB3 LEU 77 HB3 LEU 77 3.008 1.151 6.621 613 HG LEU 77 HG LEU 77 3.548 3.399 8.584 614 HD11 LEU 77 HD11 LEU 77 1.963 4.754 7.285 615 HD12 LEU 77 HD12 LEU 77 1.806 3.457 6.101 616 HD13 LEU 77 HD13 LEU 77 3.343 4.300 6.284 617 HD21 LEU 77 HD21 LEU 77 1.941 1.955 9.547 618 HD22 LEU 77 HD22 LEU 77 1.194 1.583 7.995 619 HD23 LEU 77 HD23 LEU 77 0.941 3.156 8.745 620 H ARG 78 H ARG 78 6.621 0.754 6.933 621 HA ARG 78 HA ARG 78 6.276 -1.510 5.344 622 HB2 ARG 78 HB2 ARG 78 8.246 -0.030 5.199 623 HB3 ARG 78 HB3 ARG 78 8.832 -0.667 6.735 624 HG2 ARG 78 HG2 ARG 78 9.118 -2.866 5.811 625 HG3 ARG 78 HG3 ARG 78 8.265 -2.421 4.332 626 HD2 ARG 78 HD2 ARG 78 10.845 -2.461 4.231 627 HD3 ARG 78 HD3 ARG 78 10.038 -1.028 3.595 628 HE ARG 78 HE ARG 78 11.020 0.219 5.337 629 HH11 ARG 78 HH11 ARG 78 11.032 -3.164 6.003 630 HH12 ARG 78 HH12 ARG 78 11.977 -3.012 7.447 631 HH21 ARG 78 HH21 ARG 78 12.252 0.438 7.219 632 HH22 ARG 78 HH22 ARG 78 12.666 -0.973 8.136 633 H GLU 79 H GLU 79 7.595 -1.426 8.654 634 HA GLU 79 HA GLU 79 8.038 -4.205 8.937 635 HB2 GLU 79 HB2 GLU 79 7.156 -2.224 11.057 636 HB3 GLU 79 HB3 GLU 79 7.874 -3.804 11.369 637 HG2 GLU 79 HG2 GLU 79 9.897 -3.093 10.087 638 HG3 GLU 79 HG3 GLU 79 9.186 -1.487 9.917 639 H LYS 80 H LYS 80 5.042 -2.374 9.035 640 HA LYS 80 HA LYS 80 3.510 -4.506 10.282 641 HB2 LYS 80 HB2 LYS 80 2.545 -2.102 8.715 642 HB3 LYS 80 HB3 LYS 80 1.564 -3.120 9.770 643 HG2 LYS 80 HG2 LYS 80 3.159 -2.523 11.653 644 HG3 LYS 80 HG3 LYS 80 3.866 -1.323 10.570 645 HD2 LYS 80 HD2 LYS 80 1.632 -0.273 10.304 646 HD3 LYS 80 HD3 LYS 80 0.964 -1.445 11.441 647 HE2 LYS 80 HE2 LYS 80 3.250 0.428 12.108 648 HE3 LYS 80 HE3 LYS 80 1.562 0.767 12.490 649 HZ1 LYS 80 HZ1 LYS 80 3.406 -0.967 13.810 650 HZ2 LYS 80 HZ2 LYS 80 1.976 -1.778 13.393 651 HZ3 LYS 80 HZ3 LYS 80 1.907 -0.373 14.347 652 H ILE 81 H ILE 81 3.980 -3.370 6.931 653 HA ILE 81 HA ILE 81 2.150 -5.430 5.894 654 HB ILE 81 HB ILE 81 3.100 -4.538 3.639 655 HG12 ILE 81 HG12 ILE 81 4.019 -2.265 5.420 656 HG13 ILE 81 HG13 ILE 81 5.118 -3.502 4.822 657 HG21 ILE 81 HG21 ILE 81 1.639 -2.678 5.547 658 HG22 ILE 81 HG22 ILE 81 0.891 -3.905 4.524 659 HG23 ILE 81 HG23 ILE 81 1.679 -2.507 3.792 660 HD11 ILE 81 HD11 ILE 81 4.949 -1.372 3.409 661 HD12 ILE 81 HD12 ILE 81 3.330 -1.917 2.968 662 HD13 ILE 81 HD13 ILE 81 4.737 -2.897 2.553 663 H GLY 82 H GLY 82 5.662 -4.853 5.972 664 HA2 GLY 82 HA2 GLY 82 7.311 -6.596 5.973 665 HA3 GLY 82 HA3 GLY 82 6.090 -7.740 5.400 666 H LYS 83 H LYS 83 8.600 -5.675 4.459 667 HA LYS 83 HA LYS 83 8.046 -4.703 1.949 668 HB2 LYS 83 HB2 LYS 83 10.419 -5.118 1.360 669 HB3 LYS 83 HB3 LYS 83 10.250 -4.469 2.992 670 HG2 LYS 83 HG2 LYS 83 10.319 -6.832 3.859 671 HG3 LYS 83 HG3 LYS 83 10.700 -7.364 2.220 672 HD2 LYS 83 HD2 LYS 83 12.675 -5.814 2.241 673 HD3 LYS 83 HD3 LYS 83 12.335 -5.479 3.939 674 HE2 LYS 83 HE2 LYS 83 12.482 -7.970 4.362 675 HE3 LYS 83 HE3 LYS 83 13.069 -8.147 2.709 676 HZ1 LYS 83 HZ1 LYS 83 15.057 -7.824 3.656 677 HZ2 LYS 83 HZ2 LYS 83 14.410 -7.093 5.043 678 HZ3 LYS 83 HZ3 LYS 83 14.631 -6.180 3.627 679 H SER 84 H SER 84 8.016 -8.037 2.839 680 HA SER 84 HA SER 84 8.542 -9.198 0.273 681 HB2 SER 84 HB2 SER 84 8.439 -10.551 2.335 682 HB3 SER 84 HB3 SER 84 6.725 -10.182 2.499 683 HG SER 84 HG SER 84 7.999 -11.578 0.376 684 H ARG 85 H ARG 85 5.421 -8.441 1.868 685 HA ARG 85 HA ARG 85 3.725 -9.050 -0.279 686 HB2 ARG 85 HB2 ARG 85 3.174 -8.366 2.157 687 HB3 ARG 85 HB3 ARG 85 3.239 -6.706 1.574 688 HG2 ARG 85 HG2 ARG 85 1.542 -7.320 -0.176 689 HG3 ARG 85 HG3 ARG 85 1.412 -8.911 0.576 690 HD2 ARG 85 HD2 ARG 85 -0.363 -7.566 1.482 691 HD3 ARG 85 HD3 ARG 85 0.855 -7.727 2.746 692 HE ARG 85 HE ARG 85 1.208 -5.404 2.609 693 HH11 ARG 85 HH11 ARG 85 -0.341 -6.638 -0.215 694 HH12 ARG 85 HH12 ARG 85 -0.602 -5.075 -0.915 695 HH21 ARG 85 HH21 ARG 85 0.872 -3.359 1.712 696 HH22 ARG 85 HH22 ARG 85 0.085 -3.220 0.177 697 H ILE 86 H ILE 86 6.072 -6.567 -0.181 698 HA ILE 86 HA ILE 86 4.913 -5.378 -2.673 699 HB ILE 86 HB ILE 86 5.982 -3.652 -0.425 700 HG12 ILE 86 HG12 ILE 86 3.135 -4.446 -1.117 701 HG13 ILE 86 HG13 ILE 86 3.968 -4.691 0.416 702 HG21 ILE 86 HG21 ILE 86 5.996 -2.852 -2.863 703 HG22 ILE 86 HG22 ILE 86 5.136 -1.825 -1.719 704 HG23 ILE 86 HG23 ILE 86 4.239 -2.904 -2.784 705 HD11 ILE 86 HD11 ILE 86 2.884 -2.142 -0.759 706 HD12 ILE 86 HD12 ILE 86 4.205 -2.070 0.406 707 HD13 ILE 86 HD13 ILE 86 2.665 -2.795 0.862 708 H ARG 87 H ARG 87 6.457 -5.500 -4.186 709 HA ARG 87 HA ARG 87 9.310 -5.696 -3.425 710 HB2 ARG 87 HB2 ARG 87 7.886 -5.820 -6.103 711 HB3 ARG 87 HB3 ARG 87 9.628 -5.999 -5.900 712 HG2 ARG 87 HG2 ARG 87 9.170 -7.899 -4.309 713 HG3 ARG 87 HG3 ARG 87 7.467 -7.785 -4.753 714 HD2 ARG 87 HD2 ARG 87 8.448 -9.486 -6.147 715 HD3 ARG 87 HD3 ARG 87 8.173 -8.073 -7.165 716 HE ARG 87 HE ARG 87 10.507 -7.894 -7.434 717 HH11 ARG 87 HH11 ARG 87 9.665 -9.811 -4.694 718 HH12 ARG 87 HH12 ARG 87 11.297 -10.285 -4.358 719 HH21 ARG 87 HH21 ARG 87 12.643 -8.502 -7.009 720 HH22 ARG 87 HH22 ARG 87 12.982 -9.543 -5.667 721 H THR 88 H THR 88 10.687 -3.954 -3.509 722 HA THR 88 HA THR 88 9.592 -1.328 -4.224 723 HB THR 88 HB THR 88 11.473 -0.436 -3.163 724 HG1 THR 88 HG1 THR 88 13.243 -2.400 -3.087 725 HG21 THR 88 HG21 THR 88 11.599 -3.215 -1.984 726 HG22 THR 88 HG22 THR 88 10.225 -2.147 -1.696 727 HG23 THR 88 HG23 THR 88 11.838 -1.671 -1.167 728 H VAL 89 H VAL 89 9.823 -0.355 -6.181 729 HA VAL 89 HA VAL 89 11.621 -1.627 -8.216 730 HB VAL 89 HB VAL 89 9.388 0.372 -8.664 731 HG11 VAL 89 HG11 VAL 89 10.915 -1.521 -10.479 732 HG12 VAL 89 HG12 VAL 89 10.994 0.241 -10.490 733 HG13 VAL 89 HG13 VAL 89 9.511 -0.577 -10.978 734 HG21 VAL 89 HG21 VAL 89 8.402 -1.604 -7.667 735 HG22 VAL 89 HG22 VAL 89 9.363 -2.661 -8.700 736 HG23 VAL 89 HG23 VAL 89 8.090 -1.663 -9.403 737 H ARG 90 H ARG 90 13.575 -0.584 -7.602 738 HA ARG 90 HA ARG 90 15.127 1.175 -7.499 739 HB2 ARG 90 HB2 ARG 90 13.251 2.440 -9.518 740 HB3 ARG 90 HB3 ARG 90 14.962 2.803 -9.296 741 HG2 ARG 90 HG2 ARG 90 15.532 0.479 -9.920 742 HG3 ARG 90 HG3 ARG 90 13.820 0.131 -10.165 743 HD2 ARG 90 HD2 ARG 90 13.690 1.778 -11.950 744 HD3 ARG 90 HD3 ARG 90 15.353 2.283 -11.651 745 HE ARG 90 HE ARG 90 14.536 -0.052 -13.170 746 HH11 ARG 90 HH11 ARG 90 16.910 1.312 -11.072 747 HH12 ARG 90 HH12 ARG 90 18.198 0.315 -11.663 748 HH21 ARG 90 HH21 ARG 90 16.205 -1.361 -13.952 749 HH22 ARG 90 HH22 ARG 90 17.798 -1.199 -13.293 750 H GLY 91 H GLY 91 15.181 3.749 -7.258 751 HA2 GLY 91 HA2 GLY 91 13.403 4.356 -4.984 752 HA3 GLY 91 HA3 GLY 91 14.750 5.348 -5.547 753 H PHE 92 H PHE 92 11.740 4.144 -7.074 754 HA PHE 92 HA PHE 92 10.976 6.951 -7.685 755 HB2 PHE 92 HB2 PHE 92 12.086 6.145 -9.695 756 HB3 PHE 92 HB3 PHE 92 11.127 4.666 -9.670 757 HD1 PHE 92 HD1 PHE 92 11.072 8.301 -10.313 758 HD2 PHE 92 HD2 PHE 92 8.775 4.671 -10.315 759 HE1 PHE 92 HE1 PHE 92 9.283 9.432 -11.607 760 HE2 PHE 92 HE2 PHE 92 6.987 5.802 -11.607 761 HZ PHE 92 HZ PHE 92 7.240 8.181 -12.253 762 H GLY 93 H GLY 93 10.009 3.574 -7.210 763 HA2 GLY 93 HA2 GLY 93 7.394 4.486 -6.287 764 HA3 GLY 93 HA3 GLY 93 7.318 3.654 -7.839 765 H TYR 94 H TYR 94 6.053 2.005 -6.809 766 HA TYR 94 HA TYR 94 7.710 -0.101 -5.524 767 HB2 TYR 94 HB2 TYR 94 5.266 1.217 -4.315 768 HB3 TYR 94 HB3 TYR 94 5.645 -0.463 -3.934 769 HD1 TYR 94 HD1 TYR 94 6.944 3.017 -3.811 770 HD2 TYR 94 HD2 TYR 94 7.436 -1.023 -2.449 771 HE1 TYR 94 HE1 TYR 94 8.621 3.776 -2.160 772 HE2 TYR 94 HE2 TYR 94 9.108 -0.267 -0.794 773 HH TYR 94 HH TYR 94 9.566 3.014 -0.011 774 H MET 95 H MET 95 6.287 -2.192 -5.446 775 HA MET 95 HA MET 95 4.030 -2.242 -7.313 776 HB2 MET 95 HB2 MET 95 5.784 -2.068 -8.958 777 HB3 MET 95 HB3 MET 95 6.727 -3.325 -8.166 778 HG2 MET 95 HG2 MET 95 3.938 -3.967 -9.122 779 HG3 MET 95 HG3 MET 95 5.263 -3.926 -10.285 780 HE1 MET 95 HE1 MET 95 7.499 -6.780 -9.569 781 HE2 MET 95 HE2 MET 95 7.680 -5.022 -9.529 782 HE3 MET 95 HE3 MET 95 6.717 -5.782 -10.792 783 H LEU 96 H LEU 96 2.856 -4.110 -7.143 784 HA LEU 96 HA LEU 96 3.639 -5.982 -4.976 785 HB2 LEU 96 HB2 LEU 96 1.097 -5.402 -6.503 786 HB3 LEU 96 HB3 LEU 96 1.247 -6.920 -5.620 787 HG LEU 96 HG LEU 96 1.751 -5.658 -3.552 788 HD11 LEU 96 HD11 LEU 96 1.320 -3.276 -5.372 789 HD12 LEU 96 HD12 LEU 96 2.768 -3.667 -4.449 790 HD13 LEU 96 HD13 LEU 96 1.300 -3.173 -3.612 791 HD21 LEU 96 HD21 LEU 96 -0.763 -4.596 -4.872 792 HD22 LEU 96 HD22 LEU 96 -0.497 -4.890 -3.153 793 HD23 LEU 96 HD23 LEU 96 -0.613 -6.248 -4.272 794 H ALA 97 H ALA 97 4.360 -8.038 -5.371 795 HA ALA 97 HA ALA 97 5.248 -8.859 -7.930 796 HB1 ALA 97 HB1 ALA 97 5.949 -9.833 -5.696 797 HB2 ALA 97 HB2 ALA 97 5.621 -11.029 -6.950 798 HB3 ALA 97 HB3 ALA 97 4.427 -10.725 -5.688 799 H ASN 98 H ASN 98 4.049 -9.430 -9.679 800 HA ASN 98 HA ASN 98 1.199 -9.813 -9.535 801 HB2 ASN 98 HB2 ASN 98 2.449 -8.976 -11.551 802 HB3 ASN 98 HB3 ASN 98 3.057 -10.614 -11.792 803 HD21 ASN 98 HD21 ASN 98 -0.196 -9.265 -10.963 804 HD22 ASN 98 HD22 ASN 98 -1.017 -10.123 -12.175 805 H ASN 99 H ASN 99 1.563 -11.562 -7.744 806 HA ASN 99 HA ASN 99 1.517 -13.822 -7.099 807 HB2 ASN 99 HB2 ASN 99 -0.551 -13.588 -8.528 808 HB3 ASN 99 HB3 ASN 99 0.389 -14.207 -9.885 809 HD21 ASN 99 HD21 ASN 99 -1.749 -15.775 -9.201 810 HD22 ASN 99 HD22 ASN 99 -1.250 -17.160 -8.357 811 H ILE 100 H ILE 100 4.020 -13.004 -8.137 812 HA ILE 100 HA ILE 100 4.946 -14.991 -10.071 813 HB ILE 100 HB ILE 100 6.745 -13.322 -8.294 814 HG12 ILE 100 HG12 ILE 100 5.218 -12.411 -10.758 815 HG13 ILE 100 HG13 ILE 100 5.025 -11.786 -9.121 816 HG21 ILE 100 HG21 ILE 100 7.004 -14.037 -11.230 817 HG22 ILE 100 HG22 ILE 100 7.634 -15.064 -9.945 818 HG23 ILE 100 HG23 ILE 100 8.260 -13.431 -10.150 819 HD11 ILE 100 HD11 ILE 100 7.430 -11.508 -10.933 820 HD12 ILE 100 HD12 ILE 100 7.499 -11.165 -9.204 821 HD13 ILE 100 HD13 ILE 100 6.434 -10.224 -10.248 822 H ASP 101 H ASP 101 4.113 -15.173 -6.893 823 HA ASP 101 HA ASP 101 6.242 -16.726 -5.755 824 HB2 ASP 101 HB2 ASP 101 4.513 -17.474 -4.124 825 HB3 ASP 101 HB3 ASP 101 4.513 -15.723 -4.343 826 H THR 102 H THR 102 3.595 -17.507 -7.903 827 HA THR 102 HA THR 102 3.646 -20.361 -7.508 828 HB THR 102 HB THR 102 2.772 -18.729 -9.913 829 HG1 THR 102 HG1 THR 102 1.755 -19.062 -7.481 830 HG21 THR 102 HG21 THR 102 1.393 -20.809 -10.370 831 HG22 THR 102 HG22 THR 102 2.380 -21.635 -9.165 832 HG23 THR 102 HG23 THR 102 3.128 -20.993 -10.628 833 H GLU 103 H GLU 103 4.396 -19.034 -10.685 834 HA GLU 103 HA GLU 103 6.563 -20.985 -11.005 835 HB2 GLU 103 HB2 GLU 103 4.960 -20.326 -12.847 836 HB3 GLU 103 HB3 GLU 103 5.753 -18.751 -12.887 837 HG2 GLU 103 HG2 GLU 103 7.880 -19.773 -13.454 838 HG3 GLU 103 HG3 GLU 103 7.203 -21.388 -13.251 Start of MODEL 9 1 H1 ASN 1 H1 ASN 1 -22.509 1.995 -7.131 2 H2 ASN 1 H2 ASN 1 -23.399 1.000 -6.081 3 H3 ASN 1 H3 ASN 1 -23.412 0.702 -7.754 4 HA ASN 1 HA ASN 1 -21.989 -0.893 -6.671 5 HB2 ASN 1 HB2 ASN 1 -20.550 1.252 -8.259 6 HB3 ASN 1 HB3 ASN 1 -19.861 -0.329 -7.894 7 HD21 ASN 1 HD21 ASN 1 -22.700 1.196 -9.490 8 HD22 ASN 1 HD22 ASN 1 -22.960 -0.076 -10.584 9 H GLN 2 H GLN 2 -21.801 2.286 -5.452 10 HA GLN 2 HA GLN 2 -19.285 2.063 -4.041 11 HB2 GLN 2 HB2 GLN 2 -21.696 3.811 -3.454 12 HB3 GLN 2 HB3 GLN 2 -20.082 4.026 -2.776 13 HG2 GLN 2 HG2 GLN 2 -20.674 4.048 -5.748 14 HG3 GLN 2 HG3 GLN 2 -20.557 5.505 -4.759 15 HE21 GLN 2 HE21 GLN 2 -18.399 5.687 -3.475 16 HE22 GLN 2 HE22 GLN 2 -16.995 5.145 -4.258 17 H GLY 3 H GLY 3 -20.052 -0.295 -3.408 18 HA2 GLY 3 HA2 GLY 3 -20.425 -0.329 -0.575 19 HA3 GLY 3 HA3 GLY 3 -21.959 -0.717 -1.353 20 H ASP 4 H ASP 4 -18.968 -1.600 -2.915 21 HA ASP 4 HA ASP 4 -18.656 -4.216 -1.790 22 HB2 ASP 4 HB2 ASP 4 -19.540 -5.477 -3.832 23 HB3 ASP 4 HB3 ASP 4 -20.770 -4.800 -2.767 24 H ASN 5 H ASN 5 -16.456 -4.162 -2.083 25 HA ASN 5 HA ASN 5 -15.401 -4.313 -4.807 26 HB2 ASN 5 HB2 ASN 5 -15.543 -1.881 -4.559 27 HB3 ASN 5 HB3 ASN 5 -14.684 -1.965 -3.023 28 HD21 ASN 5 HD21 ASN 5 -12.848 -0.717 -3.807 29 HD22 ASN 5 HD22 ASN 5 -11.761 -1.352 -4.946 30 H GLU 6 H GLU 6 -13.906 -5.877 -4.663 31 HA GLU 6 HA GLU 6 -11.863 -5.851 -2.561 32 HB2 GLU 6 HB2 GLU 6 -12.385 -8.170 -1.794 33 HB3 GLU 6 HB3 GLU 6 -13.653 -7.017 -1.374 34 HG2 GLU 6 HG2 GLU 6 -14.902 -7.710 -3.426 35 HG3 GLU 6 HG3 GLU 6 -13.671 -8.938 -3.721 36 H ILE 7 H ILE 7 -10.141 -7.380 -3.044 37 HA ILE 7 HA ILE 7 -10.291 -8.843 -5.622 38 HB ILE 7 HB ILE 7 -8.173 -7.752 -6.404 39 HG12 ILE 7 HG12 ILE 7 -8.774 -5.870 -4.097 40 HG13 ILE 7 HG13 ILE 7 -7.382 -6.946 -4.222 41 HG21 ILE 7 HG21 ILE 7 -9.253 -5.797 -7.290 42 HG22 ILE 7 HG22 ILE 7 -10.377 -5.725 -5.934 43 HG23 ILE 7 HG23 ILE 7 -10.505 -7.025 -7.119 44 HD11 ILE 7 HD11 ILE 7 -6.787 -5.737 -6.378 45 HD12 ILE 7 HD12 ILE 7 -6.626 -4.783 -4.905 46 HD13 ILE 7 HD13 ILE 7 -8.023 -4.551 -5.954 47 H SER 8 H SER 8 -8.316 -10.201 -5.930 48 HA SER 8 HA SER 8 -6.836 -10.795 -3.388 49 HB2 SER 8 HB2 SER 8 -8.221 -12.824 -5.169 50 HB3 SER 8 HB3 SER 8 -7.160 -13.216 -3.820 51 HG SER 8 HG SER 8 -9.752 -12.660 -3.776 52 H VAL 9 H VAL 9 -4.764 -11.577 -3.703 53 HA VAL 9 HA VAL 9 -3.786 -12.077 -6.464 54 HB VAL 9 HB VAL 9 -2.452 -10.056 -4.634 55 HG11 VAL 9 HG11 VAL 9 -2.010 -10.895 -7.515 56 HG12 VAL 9 HG12 VAL 9 -0.917 -11.167 -6.158 57 HG13 VAL 9 HG13 VAL 9 -1.205 -9.528 -6.745 58 HG21 VAL 9 HG21 VAL 9 -3.251 -8.398 -6.381 59 HG22 VAL 9 HG22 VAL 9 -4.528 -9.068 -5.366 60 HG23 VAL 9 HG23 VAL 9 -4.299 -9.671 -7.007 61 H GLY 10 H GLY 10 -3.373 -14.219 -5.800 62 HA2 GLY 10 HA2 GLY 10 -1.882 -15.876 -5.010 63 HA3 GLY 10 HA3 GLY 10 -0.908 -14.602 -4.272 64 H ASN 11 H ASN 11 -0.968 -14.525 -2.086 65 HA ASN 11 HA ASN 11 -3.212 -15.906 -0.647 66 HB2 ASN 11 HB2 ASN 11 -0.401 -15.184 0.227 67 HB3 ASN 11 HB3 ASN 11 -1.617 -15.916 1.274 68 HD21 ASN 11 HD21 ASN 11 -0.823 -18.040 1.520 69 HD22 ASN 11 HD22 ASN 11 -0.492 -19.084 0.223 70 H LEU 12 H LEU 12 -2.523 -12.876 -1.649 71 HA LEU 12 HA LEU 12 -3.198 -11.508 0.916 72 HB2 LEU 12 HB2 LEU 12 -2.562 -10.172 -1.725 73 HB3 LEU 12 HB3 LEU 12 -2.384 -9.526 -0.095 74 HG LEU 12 HG LEU 12 -0.742 -11.753 -1.337 75 HD11 LEU 12 HD11 LEU 12 1.112 -10.095 -0.957 76 HD12 LEU 12 HD12 LEU 12 -0.113 -8.904 -0.521 77 HD13 LEU 12 HD13 LEU 12 -0.076 -9.574 -2.151 78 HD21 LEU 12 HD21 LEU 12 -0.974 -12.291 0.985 79 HD22 LEU 12 HD22 LEU 12 -0.823 -10.600 1.464 80 HD23 LEU 12 HD23 LEU 12 0.580 -11.472 0.847 81 H ARG 13 H ARG 13 -5.291 -11.010 1.286 82 HA ARG 13 HA ARG 13 -7.151 -10.646 -1.052 83 HB2 ARG 13 HB2 ARG 13 -7.931 -11.444 1.754 84 HB3 ARG 13 HB3 ARG 13 -8.940 -11.462 0.314 85 HG2 ARG 13 HG2 ARG 13 -7.337 -13.144 -0.679 86 HG3 ARG 13 HG3 ARG 13 -6.556 -13.233 0.900 87 HD2 ARG 13 HD2 ARG 13 -8.653 -13.955 1.932 88 HD3 ARG 13 HD3 ARG 13 -9.494 -13.788 0.390 89 HE ARG 13 HE ARG 13 -7.219 -15.586 0.204 90 HH11 ARG 13 HH11 ARG 13 -10.513 -15.217 1.157 91 HH12 ARG 13 HH12 ARG 13 -10.899 -16.893 0.950 92 HH21 ARG 13 HH21 ARG 13 -7.705 -17.775 -0.071 93 HH22 ARG 13 HH22 ARG 13 -9.308 -18.341 0.255 94 H LEU 14 H LEU 14 -8.021 -8.661 -1.260 95 HA LEU 14 HA LEU 14 -7.738 -6.721 1.018 96 HB2 LEU 14 HB2 LEU 14 -6.381 -6.116 -0.922 97 HB3 LEU 14 HB3 LEU 14 -7.773 -6.286 -1.984 98 HG LEU 14 HG LEU 14 -8.889 -4.398 -0.877 99 HD11 LEU 14 HD11 LEU 14 -6.479 -4.541 0.945 100 HD12 LEU 14 HD12 LEU 14 -8.187 -4.472 1.380 101 HD13 LEU 14 HD13 LEU 14 -7.384 -3.039 0.754 102 HD21 LEU 14 HD21 LEU 14 -7.361 -2.626 -1.612 103 HD22 LEU 14 HD22 LEU 14 -7.323 -3.972 -2.752 104 HD23 LEU 14 HD23 LEU 14 -6.012 -3.762 -1.591 105 H ASN 15 H ASN 15 -9.564 -5.637 1.683 106 HA ASN 15 HA ASN 15 -12.088 -5.937 0.084 107 HB2 ASN 15 HB2 ASN 15 -11.640 -6.605 3.003 108 HB3 ASN 15 HB3 ASN 15 -13.242 -6.198 2.391 109 HD21 ASN 15 HD21 ASN 15 -10.534 -8.239 1.116 110 HD22 ASN 15 HD22 ASN 15 -11.514 -9.587 0.803 111 H VAL 16 H VAL 16 -12.114 -3.783 -0.542 112 HA VAL 16 HA VAL 16 -11.572 -1.588 1.280 113 HB VAL 16 HB VAL 16 -13.101 -1.498 -1.328 114 HG11 VAL 16 HG11 VAL 16 -12.161 0.800 -1.410 115 HG12 VAL 16 HG12 VAL 16 -11.418 0.536 0.167 116 HG13 VAL 16 HG13 VAL 16 -13.174 0.558 0.012 117 HG21 VAL 16 HG21 VAL 16 -11.029 -2.649 -1.782 118 HG22 VAL 16 HG22 VAL 16 -10.119 -1.513 -0.787 119 HG23 VAL 16 HG23 VAL 16 -10.825 -0.980 -2.313 120 H THR 17 H THR 17 -14.400 -3.413 0.333 121 HA THR 17 HA THR 17 -16.393 -1.576 1.219 122 HB THR 17 HB THR 17 -17.383 -3.300 0.019 123 HG1 THR 17 HG1 THR 17 -17.509 -4.795 2.356 124 HG21 THR 17 HG21 THR 17 -15.506 -4.685 -0.391 125 HG22 THR 17 HG22 THR 17 -16.661 -5.742 0.416 126 HG23 THR 17 HG23 THR 17 -15.303 -5.071 1.315 127 H ARG 18 H ARG 18 -15.000 -4.412 2.917 128 HA ARG 18 HA ARG 18 -16.119 -3.445 5.481 129 HB2 ARG 18 HB2 ARG 18 -14.344 -5.847 4.948 130 HB3 ARG 18 HB3 ARG 18 -15.310 -5.542 6.392 131 HG2 ARG 18 HG2 ARG 18 -17.369 -5.607 4.996 132 HG3 ARG 18 HG3 ARG 18 -16.378 -6.003 3.592 133 HD2 ARG 18 HD2 ARG 18 -16.383 -7.658 6.128 134 HD3 ARG 18 HD3 ARG 18 -17.432 -8.000 4.752 135 HE ARG 18 HE ARG 18 -14.645 -7.776 3.964 136 HH11 ARG 18 HH11 ARG 18 -17.076 -9.787 5.357 137 HH12 ARG 18 HH12 ARG 18 -16.312 -11.267 4.881 138 HH21 ARG 18 HH21 ARG 18 -13.635 -9.698 3.335 139 HH22 ARG 18 HH22 ARG 18 -14.365 -11.217 3.736 140 H ARG 19 H ARG 19 -13.254 -3.208 3.647 141 HA ARG 19 HA ARG 19 -11.244 -2.113 4.071 142 HB2 ARG 19 HB2 ARG 19 -12.974 -0.647 5.467 143 HB3 ARG 19 HB3 ARG 19 -12.166 -1.360 6.854 144 HG2 ARG 19 HG2 ARG 19 -10.599 0.003 4.639 145 HG3 ARG 19 HG3 ARG 19 -11.270 0.905 5.991 146 HD2 ARG 19 HD2 ARG 19 -9.316 -1.403 6.202 147 HD3 ARG 19 HD3 ARG 19 -8.951 0.297 6.468 148 HE ARG 19 HE ARG 19 -11.092 -0.479 8.198 149 HH11 ARG 19 HH11 ARG 19 -7.719 -0.912 7.626 150 HH12 ARG 19 HH12 ARG 19 -7.338 -1.200 9.291 151 HH21 ARG 19 HH21 ARG 19 -10.613 -0.855 10.375 152 HH22 ARG 19 HH22 ARG 19 -8.976 -1.168 10.846 153 H LEU 20 H LEU 20 -10.788 -4.587 4.205 154 HA LEU 20 HA LEU 20 -9.218 -5.077 6.663 155 HB2 LEU 20 HB2 LEU 20 -11.255 -6.997 5.498 156 HB3 LEU 20 HB3 LEU 20 -10.038 -7.467 6.678 157 HG LEU 20 HG LEU 20 -12.117 -5.301 7.135 158 HD11 LEU 20 HD11 LEU 20 -13.209 -6.986 8.596 159 HD12 LEU 20 HD12 LEU 20 -12.046 -8.191 8.043 160 HD13 LEU 20 HD13 LEU 20 -13.190 -7.483 6.904 161 HD21 LEU 20 HD21 LEU 20 -10.381 -4.830 8.655 162 HD22 LEU 20 HD22 LEU 20 -9.930 -6.526 8.828 163 HD23 LEU 20 HD23 LEU 20 -11.391 -5.914 9.602 164 H VAL 21 H VAL 21 -7.326 -6.226 6.242 165 HA VAL 21 HA VAL 21 -6.902 -7.205 3.430 166 HB VAL 21 HB VAL 21 -4.738 -5.876 5.085 167 HG11 VAL 21 HG11 VAL 21 -4.086 -7.235 3.116 168 HG12 VAL 21 HG12 VAL 21 -3.724 -5.526 2.870 169 HG13 VAL 21 HG13 VAL 21 -5.135 -6.249 2.098 170 HG21 VAL 21 HG21 VAL 21 -6.384 -4.162 4.952 171 HG22 VAL 21 HG22 VAL 21 -6.800 -4.580 3.291 172 HG23 VAL 21 HG23 VAL 21 -5.248 -3.821 3.647 173 H TRP 22 H TRP 22 -6.196 -9.302 3.420 174 HA TRP 22 HA TRP 22 -5.187 -10.482 5.987 175 HB2 TRP 22 HB2 TRP 22 -6.426 -11.709 3.513 176 HB3 TRP 22 HB3 TRP 22 -5.659 -12.672 4.770 177 HD1 TRP 22 HD1 TRP 22 -6.947 -13.068 6.975 178 HE1 TRP 22 HE1 TRP 22 -9.304 -12.449 7.813 179 HE3 TRP 22 HE3 TRP 22 -8.350 -9.769 3.329 180 HZ2 TRP 22 HZ2 TRP 22 -11.492 -10.779 7.046 181 HZ3 TRP 22 HZ3 TRP 22 -10.573 -8.683 3.414 182 HH2 TRP 22 HH2 TRP 22 -12.146 -9.184 5.263 183 H LEU 23 H LEU 23 -3.202 -11.474 6.057 184 HA LEU 23 HA LEU 23 -1.487 -11.407 3.589 185 HB2 LEU 23 HB2 LEU 23 -0.772 -9.574 4.999 186 HB3 LEU 23 HB3 LEU 23 -0.827 -10.584 6.438 187 HG LEU 23 HG LEU 23 1.060 -11.921 5.602 188 HD11 LEU 23 HD11 LEU 23 0.752 -10.140 3.172 189 HD12 LEU 23 HD12 LEU 23 0.781 -11.903 3.234 190 HD13 LEU 23 HD13 LEU 23 2.258 -10.988 3.520 191 HD21 LEU 23 HD21 LEU 23 1.673 -9.999 6.914 192 HD22 LEU 23 HD22 LEU 23 1.440 -8.914 5.544 193 HD23 LEU 23 HD23 LEU 23 2.784 -10.056 5.547 194 H GLY 24 H GLY 24 -1.480 -13.614 3.144 195 HA2 GLY 24 HA2 GLY 24 -0.743 -15.844 3.473 196 HA3 GLY 24 HA3 GLY 24 -0.098 -15.359 5.046 197 H GLU 25 H GLU 25 -3.364 -15.140 3.698 198 HA GLU 25 HA GLU 25 -5.424 -15.901 4.496 199 HB2 GLU 25 HB2 GLU 25 -3.877 -18.052 5.959 200 HB3 GLU 25 HB3 GLU 25 -5.532 -18.118 5.359 201 HG2 GLU 25 HG2 GLU 25 -3.032 -17.941 3.653 202 HG3 GLU 25 HG3 GLU 25 -4.055 -19.363 3.854 203 H THR 26 H THR 26 -3.156 -14.504 6.423 204 HA THR 26 HA THR 26 -4.825 -14.705 8.917 205 HB THR 26 HB THR 26 -2.832 -13.794 10.081 206 HG1 THR 26 HG1 THR 26 -0.924 -14.223 8.431 207 HG21 THR 26 HG21 THR 26 -3.063 -16.177 10.092 208 HG22 THR 26 HG22 THR 26 -1.375 -15.841 9.711 209 HG23 THR 26 HG23 THR 26 -2.493 -16.304 8.429 210 H ALA 27 H ALA 27 -5.687 -12.858 9.815 211 HA ALA 27 HA ALA 27 -6.197 -10.626 8.114 212 HB1 ALA 27 HB1 ALA 27 -7.638 -11.304 10.031 213 HB2 ALA 27 HB2 ALA 27 -7.212 -9.593 10.076 214 HB3 ALA 27 HB3 ALA 27 -6.386 -10.737 11.136 215 H LEU 28 H LEU 28 -4.707 -9.143 7.496 216 HA LEU 28 HA LEU 28 -2.301 -8.639 9.102 217 HB2 LEU 28 HB2 LEU 28 -2.261 -8.681 6.601 218 HB3 LEU 28 HB3 LEU 28 -3.300 -7.261 6.588 219 HG LEU 28 HG LEU 28 -1.551 -6.003 7.850 220 HD11 LEU 28 HD11 LEU 28 -0.142 -8.665 7.666 221 HD12 LEU 28 HD12 LEU 28 -0.247 -7.551 9.029 222 HD13 LEU 28 HD13 LEU 28 0.812 -7.181 7.675 223 HD21 LEU 28 HD21 LEU 28 -0.140 -5.625 5.948 224 HD22 LEU 28 HD22 LEU 28 -1.712 -6.085 5.300 225 HD23 LEU 28 HD23 LEU 28 -0.398 -7.260 5.345 226 H ASP 29 H ASP 29 -2.049 -6.930 10.507 227 HA ASP 29 HA ASP 29 -4.361 -5.056 10.847 228 HB2 ASP 29 HB2 ASP 29 -2.048 -5.800 12.661 229 HB3 ASP 29 HB3 ASP 29 -3.243 -4.561 13.045 230 H LEU 30 H LEU 30 -4.079 -3.193 9.704 231 HA LEU 30 HA LEU 30 -1.442 -1.785 9.912 232 HB2 LEU 30 HB2 LEU 30 -1.765 -1.052 7.526 233 HB3 LEU 30 HB3 LEU 30 -1.391 -2.763 7.708 234 HG LEU 30 HG LEU 30 -4.309 -2.015 7.692 235 HD11 LEU 30 HD11 LEU 30 -2.635 -2.080 5.165 236 HD12 LEU 30 HD12 LEU 30 -3.397 -0.644 5.850 237 HD13 LEU 30 HD13 LEU 30 -4.394 -1.964 5.240 238 HD21 LEU 30 HD21 LEU 30 -3.294 -4.390 7.882 239 HD22 LEU 30 HD22 LEU 30 -2.902 -4.227 6.172 240 HD23 LEU 30 HD23 LEU 30 -4.581 -4.157 6.705 241 H THR 31 H THR 31 -1.626 0.480 9.959 242 HA THR 31 HA THR 31 -3.974 1.571 11.105 243 HB THR 31 HB THR 31 -2.890 3.814 10.339 244 HG1 THR 31 HG1 THR 31 -0.516 2.667 9.922 245 HG21 THR 31 HG21 THR 31 -2.542 2.865 12.578 246 HG22 THR 31 HG22 THR 31 -1.041 3.561 11.967 247 HG23 THR 31 HG23 THR 31 -1.275 1.813 11.946 248 HA PRO 32 HA PRO 32 -6.674 2.108 7.621 249 HB2 PRO 32 HB2 PRO 32 -7.828 4.587 8.166 250 HB3 PRO 32 HB3 PRO 32 -8.305 3.071 8.958 251 HG2 PRO 32 HG2 PRO 32 -6.443 5.203 9.936 252 HG3 PRO 32 HG3 PRO 32 -7.700 4.316 10.822 253 HD2 PRO 32 HD2 PRO 32 -5.103 3.645 11.076 254 HD3 PRO 32 HD3 PRO 32 -6.365 2.392 11.051 255 H LYS 33 H LYS 33 -4.530 4.820 8.414 256 HA LYS 33 HA LYS 33 -4.746 6.264 5.983 257 HB2 LYS 33 HB2 LYS 33 -2.137 5.906 7.481 258 HB3 LYS 33 HB3 LYS 33 -2.696 7.316 6.584 259 HG2 LYS 33 HG2 LYS 33 -3.804 6.274 9.206 260 HG3 LYS 33 HG3 LYS 33 -2.923 7.778 8.950 261 HD2 LYS 33 HD2 LYS 33 -4.801 8.429 7.325 262 HD3 LYS 33 HD3 LYS 33 -5.703 7.064 7.988 263 HE2 LYS 33 HE2 LYS 33 -4.665 9.472 9.508 264 HE3 LYS 33 HE3 LYS 33 -6.351 9.038 9.221 265 HZ1 LYS 33 HZ1 LYS 33 -6.133 8.105 11.243 266 HZ2 LYS 33 HZ2 LYS 33 -4.449 7.942 11.123 267 HZ3 LYS 33 HZ3 LYS 33 -5.466 6.813 10.363 268 H GLU 34 H GLU 34 -2.451 3.657 6.863 269 HA GLU 34 HA GLU 34 -1.147 3.502 4.354 270 HB2 GLU 34 HB2 GLU 34 -0.601 2.285 6.584 271 HB3 GLU 34 HB3 GLU 34 -1.747 1.060 6.048 272 HG2 GLU 34 HG2 GLU 34 0.658 1.982 4.438 273 HG3 GLU 34 HG3 GLU 34 0.615 0.524 5.426 274 H TYR 35 H TYR 35 -4.208 2.117 5.459 275 HA TYR 35 HA TYR 35 -4.703 0.337 3.321 276 HB2 TYR 35 HB2 TYR 35 -6.099 0.806 5.473 277 HB3 TYR 35 HB3 TYR 35 -6.880 2.066 4.525 278 HD1 TYR 35 HD1 TYR 35 -7.805 1.353 2.166 279 HD2 TYR 35 HD2 TYR 35 -6.897 -1.415 5.329 280 HE1 TYR 35 HE1 TYR 35 -9.274 -0.348 1.106 281 HE2 TYR 35 HE2 TYR 35 -8.372 -3.104 4.267 282 HH TYR 35 HH TYR 35 -9.780 -2.581 1.098 283 H ALA 36 H ALA 36 -5.003 3.855 3.496 284 HA ALA 36 HA ALA 36 -6.410 4.181 1.002 285 HB1 ALA 36 HB1 ALA 36 -4.557 6.078 2.479 286 HB2 ALA 36 HB2 ALA 36 -6.313 6.015 2.622 287 HB3 ALA 36 HB3 ALA 36 -5.570 6.530 1.110 288 H LEU 37 H LEU 37 -2.946 4.539 1.828 289 HA LEU 37 HA LEU 37 -2.075 4.948 -0.864 290 HB2 LEU 37 HB2 LEU 37 -0.650 3.809 1.556 291 HB3 LEU 37 HB3 LEU 37 0.154 4.100 0.016 292 HG LEU 37 HG LEU 37 -0.515 6.496 0.152 293 HD11 LEU 37 HD11 LEU 37 -2.446 6.566 1.500 294 HD12 LEU 37 HD12 LEU 37 -1.209 7.228 2.559 295 HD13 LEU 37 HD13 LEU 37 -1.728 5.554 2.751 296 HD21 LEU 37 HD21 LEU 37 1.677 5.559 1.085 297 HD22 LEU 37 HD22 LEU 37 0.924 5.634 2.676 298 HD23 LEU 37 HD23 LEU 37 1.170 7.111 1.748 299 H LEU 38 H LEU 38 -2.795 2.078 1.017 300 HA LEU 38 HA LEU 38 -1.663 0.129 -0.741 301 HB2 LEU 38 HB2 LEU 38 -2.530 -0.266 1.618 302 HB3 LEU 38 HB3 LEU 38 -4.155 -0.201 0.947 303 HG LEU 38 HG LEU 38 -3.304 -2.047 -0.712 304 HD11 LEU 38 HD11 LEU 38 -0.937 -2.015 -0.225 305 HD12 LEU 38 HD12 LEU 38 -1.577 -3.530 0.398 306 HD13 LEU 38 HD13 LEU 38 -1.232 -2.204 1.502 307 HD21 LEU 38 HD21 LEU 38 -3.867 -3.814 0.940 308 HD22 LEU 38 HD22 LEU 38 -4.987 -2.454 1.028 309 HD23 LEU 38 HD23 LEU 38 -3.716 -2.630 2.238 310 H SER 39 H SER 39 -4.936 1.541 -0.586 311 HA SER 39 HA SER 39 -6.140 0.051 -2.647 312 HB2 SER 39 HB2 SER 39 -7.705 1.885 -2.873 313 HB3 SER 39 HB3 SER 39 -7.285 1.739 -1.169 314 HG SER 39 HG SER 39 -6.820 3.771 -2.935 315 H ARG 40 H ARG 40 -3.889 2.749 -2.826 316 HA ARG 40 HA ARG 40 -4.185 3.064 -5.722 317 HB2 ARG 40 HB2 ARG 40 -2.251 4.149 -3.664 318 HB3 ARG 40 HB3 ARG 40 -2.074 4.499 -5.380 319 HG2 ARG 40 HG2 ARG 40 -4.707 5.001 -3.973 320 HG3 ARG 40 HG3 ARG 40 -3.409 6.187 -3.888 321 HD2 ARG 40 HD2 ARG 40 -3.344 6.124 -6.442 322 HD3 ARG 40 HD3 ARG 40 -4.844 5.201 -6.367 323 HE ARG 40 HE ARG 40 -5.036 7.619 -4.801 324 HH11 ARG 40 HH11 ARG 40 -5.054 6.297 -7.988 325 HH12 ARG 40 HH12 ARG 40 -6.047 7.554 -8.646 326 HH21 ARG 40 HH21 ARG 40 -6.332 9.266 -5.644 327 HH22 ARG 40 HH22 ARG 40 -6.770 9.235 -7.320 328 H LEU 41 H LEU 41 -1.735 1.653 -3.543 329 HA LEU 41 HA LEU 41 0.104 0.855 -5.546 330 HB2 LEU 41 HB2 LEU 41 -0.575 -0.377 -2.866 331 HB3 LEU 41 HB3 LEU 41 0.768 -0.930 -3.858 332 HG LEU 41 HG LEU 41 0.482 1.981 -3.070 333 HD11 LEU 41 HD11 LEU 41 1.722 -0.291 -1.502 334 HD12 LEU 41 HD12 LEU 41 0.545 0.899 -0.951 335 HD13 LEU 41 HD13 LEU 41 2.207 1.388 -1.261 336 HD21 LEU 41 HD21 LEU 41 2.113 1.710 -4.795 337 HD22 LEU 41 HD22 LEU 41 2.748 0.231 -4.080 338 HD23 LEU 41 HD23 LEU 41 3.046 1.784 -3.309 339 H MET 42 H MET 42 -2.651 -0.954 -4.166 340 HA MET 42 HA MET 42 -2.219 -3.259 -5.849 341 HB2 MET 42 HB2 MET 42 -4.412 -3.992 -5.067 342 HB3 MET 42 HB3 MET 42 -3.488 -3.343 -3.715 343 HG2 MET 42 HG2 MET 42 -5.562 -2.293 -3.412 344 HG3 MET 42 HG3 MET 42 -4.696 -1.079 -4.345 345 HE1 MET 42 HE1 MET 42 -8.592 -1.353 -5.362 346 HE2 MET 42 HE2 MET 42 -7.390 -0.276 -4.640 347 HE3 MET 42 HE3 MET 42 -7.843 -1.770 -3.824 348 H MET 43 H MET 43 -4.191 -0.340 -6.156 349 HA MET 43 HA MET 43 -5.815 -1.063 -8.336 350 HB2 MET 43 HB2 MET 43 -6.047 1.098 -7.196 351 HB3 MET 43 HB3 MET 43 -4.472 1.607 -7.805 352 HG2 MET 43 HG2 MET 43 -5.253 1.619 -10.071 353 HG3 MET 43 HG3 MET 43 -6.748 0.796 -9.628 354 HE1 MET 43 HE1 MET 43 -5.893 3.956 -11.049 355 HE2 MET 43 HE2 MET 43 -7.561 4.489 -10.798 356 HE3 MET 43 HE3 MET 43 -7.230 2.845 -11.338 357 H LYS 44 H LYS 44 -2.418 -0.314 -8.195 358 HA LYS 44 HA LYS 44 -2.158 -0.827 -11.148 359 HB2 LYS 44 HB2 LYS 44 -0.756 1.100 -9.295 360 HB3 LYS 44 HB3 LYS 44 0.021 0.578 -10.787 361 HG2 LYS 44 HG2 LYS 44 -2.810 1.647 -10.860 362 HG3 LYS 44 HG3 LYS 44 -1.455 2.769 -10.788 363 HD2 LYS 44 HD2 LYS 44 -0.483 1.647 -12.816 364 HD3 LYS 44 HD3 LYS 44 -1.950 0.674 -12.928 365 HE2 LYS 44 HE2 LYS 44 -2.109 2.637 -14.399 366 HE3 LYS 44 HE3 LYS 44 -3.299 2.739 -13.101 367 HZ1 LYS 44 HZ1 LYS 44 -1.869 4.216 -11.896 368 HZ2 LYS 44 HZ2 LYS 44 -2.080 4.829 -13.463 369 HZ3 LYS 44 HZ3 LYS 44 -0.632 4.043 -13.047 370 H ALA 45 H ALA 45 -2.200 -2.965 -9.365 371 HA ALA 45 HA ALA 45 0.373 -3.672 -8.334 372 HB1 ALA 45 HB1 ALA 45 -0.541 -5.945 -8.171 373 HB2 ALA 45 HB2 ALA 45 -1.886 -5.490 -9.217 374 HB3 ALA 45 HB3 ALA 45 -1.730 -4.768 -7.616 375 H GLY 46 H GLY 46 2.115 -4.587 -9.333 376 HA2 GLY 46 HA2 GLY 46 3.298 -5.833 -11.003 377 HA3 GLY 46 HA3 GLY 46 1.842 -5.851 -12.001 378 H SER 47 H SER 47 1.897 -2.788 -11.084 379 HA SER 47 HA SER 47 3.663 -1.863 -13.335 380 HB2 SER 47 HB2 SER 47 1.450 -1.360 -13.992 381 HB3 SER 47 HB3 SER 47 0.969 -0.935 -12.352 382 HG SER 47 HG SER 47 2.051 0.606 -14.290 383 HA PRO 48 HA PRO 48 5.852 -0.114 -9.699 384 HB2 PRO 48 HB2 PRO 48 6.949 1.639 -11.892 385 HB3 PRO 48 HB3 PRO 48 7.812 0.841 -10.559 386 HG2 PRO 48 HG2 PRO 48 7.907 -0.165 -13.013 387 HG3 PRO 48 HG3 PRO 48 7.772 -1.234 -11.604 388 HD2 PRO 48 HD2 PRO 48 5.665 -0.497 -13.611 389 HD3 PRO 48 HD3 PRO 48 5.883 -2.012 -12.701 390 H VAL 49 H VAL 49 4.721 1.275 -8.399 391 HA VAL 49 HA VAL 49 3.255 3.553 -9.609 392 HB VAL 49 HB VAL 49 3.160 2.341 -6.836 393 HG11 VAL 49 HG11 VAL 49 1.041 3.760 -6.696 394 HG12 VAL 49 HG12 VAL 49 1.623 4.610 -8.127 395 HG13 VAL 49 HG13 VAL 49 2.558 4.654 -6.633 396 HG21 VAL 49 HG21 VAL 49 0.858 1.655 -7.649 397 HG22 VAL 49 HG22 VAL 49 2.199 0.838 -8.453 398 HG23 VAL 49 HG23 VAL 49 1.358 2.159 -9.263 399 H HIS 50 H HIS 50 3.822 5.667 -9.197 400 HA HIS 50 HA HIS 50 6.412 6.205 -8.033 401 HB2 HIS 50 HB2 HIS 50 5.283 7.574 -9.851 402 HB3 HIS 50 HB3 HIS 50 4.216 8.213 -8.603 403 HD1 HIS 50 HD1 HIS 50 5.658 10.438 -9.647 404 HD2 HIS 50 HD2 HIS 50 7.576 7.916 -6.930 405 HE1 HIS 50 HE1 HIS 50 7.602 11.752 -8.690 406 HE2 HIS 50 HE2 HIS 50 8.773 10.226 -7.039 407 H ARG 51 H ARG 51 6.831 6.447 -5.910 408 HA ARG 51 HA ARG 51 5.013 6.096 -3.813 409 HB2 ARG 51 HB2 ARG 51 7.560 6.088 -3.703 410 HB3 ARG 51 HB3 ARG 51 7.479 7.848 -3.636 411 HG2 ARG 51 HG2 ARG 51 6.007 7.658 -1.623 412 HG3 ARG 51 HG3 ARG 51 6.232 5.910 -1.664 413 HD2 ARG 51 HD2 ARG 51 7.796 7.035 -0.080 414 HD3 ARG 51 HD3 ARG 51 8.640 6.178 -1.370 415 HE ARG 51 HE ARG 51 8.143 8.989 -1.991 416 HH11 ARG 51 HH11 ARG 51 10.185 6.672 -0.458 417 HH12 ARG 51 HH12 ARG 51 11.604 7.662 -0.555 418 HH21 ARG 51 HH21 ARG 51 9.984 10.294 -2.125 419 HH22 ARG 51 HH22 ARG 51 11.490 9.711 -1.498 420 H GLU 52 H GLU 52 5.479 8.833 -5.821 421 HA GLU 52 HA GLU 52 4.598 10.879 -4.007 422 HB2 GLU 52 HB2 GLU 52 5.782 11.110 -6.308 423 HB3 GLU 52 HB3 GLU 52 4.171 10.954 -7.004 424 HG2 GLU 52 HG2 GLU 52 3.465 12.847 -5.432 425 HG3 GLU 52 HG3 GLU 52 5.181 13.092 -5.111 426 H ILE 53 H ILE 53 2.836 8.959 -6.480 427 HA ILE 53 HA ILE 53 0.294 10.139 -6.100 428 HB ILE 53 HB ILE 53 0.920 7.248 -6.771 429 HG12 ILE 53 HG12 ILE 53 0.378 9.564 -8.655 430 HG13 ILE 53 HG13 ILE 53 2.006 9.039 -8.223 431 HG21 ILE 53 HG21 ILE 53 -1.307 7.431 -7.962 432 HG22 ILE 53 HG22 ILE 53 -1.543 8.975 -7.143 433 HG23 ILE 53 HG23 ILE 53 -1.413 7.489 -6.203 434 HD11 ILE 53 HD11 ILE 53 -0.116 7.284 -9.491 435 HD12 ILE 53 HD12 ILE 53 1.525 6.785 -9.081 436 HD13 ILE 53 HD13 ILE 53 1.258 7.995 -10.337 437 H LEU 54 H LEU 54 1.998 7.762 -4.166 438 HA LEU 54 HA LEU 54 -0.292 6.882 -2.642 439 HB2 LEU 54 HB2 LEU 54 2.550 6.955 -1.599 440 HB3 LEU 54 HB3 LEU 54 1.275 5.798 -1.223 441 HG LEU 54 HG LEU 54 2.654 6.101 -3.907 442 HD11 LEU 54 HD11 LEU 54 3.737 4.036 -3.423 443 HD12 LEU 54 HD12 LEU 54 2.727 3.750 -2.006 444 HD13 LEU 54 HD13 LEU 54 3.943 5.027 -1.980 445 HD21 LEU 54 HD21 LEU 54 0.412 5.407 -4.346 446 HD22 LEU 54 HD22 LEU 54 0.384 4.344 -2.938 447 HD23 LEU 54 HD23 LEU 54 1.359 3.921 -4.346 448 H TYR 55 H TYR 55 2.213 9.295 -2.084 449 HA TYR 55 HA TYR 55 1.215 10.234 0.442 450 HB2 TYR 55 HB2 TYR 55 2.937 11.487 -1.707 451 HB3 TYR 55 HB3 TYR 55 2.385 12.469 -0.352 452 HD1 TYR 55 HD1 TYR 55 2.630 11.202 2.038 453 HD2 TYR 55 HD2 TYR 55 5.048 10.464 -1.443 454 HE1 TYR 55 HE1 TYR 55 4.428 10.287 3.476 455 HE2 TYR 55 HE2 TYR 55 6.846 9.557 0.005 456 HH TYR 55 HH TYR 55 6.975 8.481 2.315 457 H ASN 56 H ASN 56 0.388 10.978 -2.885 458 HA ASN 56 HA ASN 56 -1.338 13.200 -2.300 459 HB2 ASN 56 HB2 ASN 56 -1.212 11.321 -4.673 460 HB3 ASN 56 HB3 ASN 56 -2.230 12.758 -4.609 461 HD21 ASN 56 HD21 ASN 56 0.957 11.629 -5.308 462 HD22 ASN 56 HD22 ASN 56 1.693 13.149 -5.478 463 H ASP 57 H ASP 57 -1.729 9.765 -2.070 464 HA ASP 57 HA ASP 57 -4.511 9.521 -2.458 465 HB2 ASP 57 HB2 ASP 57 -2.742 7.683 -1.907 466 HB3 ASP 57 HB3 ASP 57 -3.132 8.029 -0.223 467 H ILE 58 H ILE 58 -2.804 10.209 0.604 468 HA ILE 58 HA ILE 58 -5.385 11.108 1.808 469 HB ILE 58 HB ILE 58 -2.699 10.806 3.173 470 HG12 ILE 58 HG12 ILE 58 -4.942 8.781 2.869 471 HG13 ILE 58 HG13 ILE 58 -3.343 8.662 2.136 472 HG21 ILE 58 HG21 ILE 58 -4.003 10.758 5.200 473 HG22 ILE 58 HG22 ILE 58 -5.512 10.666 4.293 474 HG23 ILE 58 HG23 ILE 58 -4.557 12.147 4.268 475 HD11 ILE 58 HD11 ILE 58 -3.284 7.315 4.117 476 HD12 ILE 58 HD12 ILE 58 -4.025 8.590 5.081 477 HD13 ILE 58 HD13 ILE 58 -2.377 8.783 4.481 478 H TYR 59 H TYR 59 -2.126 12.288 1.031 479 HA TYR 59 HA TYR 59 -2.881 15.025 1.970 480 HB2 TYR 59 HB2 TYR 59 -0.199 14.045 0.955 481 HB3 TYR 59 HB3 TYR 59 -0.532 15.547 1.814 482 HD1 TYR 59 HD1 TYR 59 -1.289 15.485 4.204 483 HD2 TYR 59 HD2 TYR 59 0.076 11.970 2.146 484 HE1 TYR 59 HE1 TYR 59 -0.978 14.333 6.377 485 HE2 TYR 59 HE2 TYR 59 0.386 10.818 4.320 486 HH TYR 59 HH TYR 59 -0.327 12.480 7.396 487 H SER 60 H SER 60 -4.392 15.245 0.096 488 HA SER 60 HA SER 60 -3.502 15.172 -2.614 489 HB2 SER 60 HB2 SER 60 -5.457 16.637 -3.069 490 HB3 SER 60 HB3 SER 60 -5.882 15.271 -2.041 491 HG SER 60 HG SER 60 -5.960 16.594 -0.307 492 H TRP 61 H TRP 61 -3.946 18.004 -0.486 493 HA TRP 61 HA TRP 61 -2.348 19.690 -2.289 494 HB2 TRP 61 HB2 TRP 61 -3.723 20.151 0.372 495 HB3 TRP 61 HB3 TRP 61 -2.686 21.375 -0.355 496 HD1 TRP 61 HD1 TRP 61 -4.676 19.288 -2.783 497 HE1 TRP 61 HE1 TRP 61 -6.576 20.712 -3.784 498 HE3 TRP 61 HE3 TRP 61 -4.404 23.388 0.253 499 HZ2 TRP 61 HZ2 TRP 61 -7.818 23.252 -3.355 500 HZ3 TRP 61 HZ3 TRP 61 -5.957 25.292 -0.066 501 HH2 TRP 61 HH2 TRP 61 -7.662 25.230 -1.866 502 H ASP 62 H ASP 62 -0.732 17.627 -1.595 503 HA ASP 62 HA ASP 62 0.760 17.944 0.822 504 HB2 ASP 62 HB2 ASP 62 0.807 15.931 -0.707 505 HB3 ASP 62 HB3 ASP 62 1.809 16.873 -1.813 506 H ASN 63 H ASN 63 3.167 18.064 -1.441 507 HA ASN 63 HA ASN 63 4.787 19.700 -1.902 508 HB2 ASN 63 HB2 ASN 63 2.848 20.447 -3.351 509 HB3 ASN 63 HB3 ASN 63 2.401 21.560 -2.059 510 HD21 ASN 63 HD21 ASN 63 5.621 20.650 -3.416 511 HD22 ASN 63 HD22 ASN 63 6.087 22.245 -3.761 512 H GLU 64 H GLU 64 4.963 19.290 0.668 513 HA GLU 64 HA GLU 64 5.609 21.867 1.803 514 HB2 GLU 64 HB2 GLU 64 3.077 21.732 2.090 515 HB3 GLU 64 HB3 GLU 64 3.360 20.384 3.190 516 HG2 GLU 64 HG2 GLU 64 3.215 22.346 4.560 517 HG3 GLU 64 HG3 GLU 64 4.927 21.925 4.484 518 HA PRO 65 HA PRO 65 7.553 17.987 3.611 519 HB2 PRO 65 HB2 PRO 65 10.027 18.151 2.513 520 HB3 PRO 65 HB3 PRO 65 8.657 17.461 1.615 521 HG2 PRO 65 HG2 PRO 65 9.821 20.219 1.444 522 HG3 PRO 65 HG3 PRO 65 9.342 19.123 0.133 523 HD2 PRO 65 HD2 PRO 65 7.729 21.169 1.024 524 HD3 PRO 65 HD3 PRO 65 7.082 19.669 0.324 525 H ALA 66 H ALA 66 7.678 18.823 5.711 526 HA ALA 66 HA ALA 66 9.226 21.195 6.356 527 HB1 ALA 66 HB1 ALA 66 7.235 20.343 7.671 528 HB2 ALA 66 HB2 ALA 66 8.652 20.720 8.649 529 HB3 ALA 66 HB3 ALA 66 8.269 19.043 8.263 530 H THR 67 H THR 67 9.702 17.700 6.972 531 HA THR 67 HA THR 67 12.542 17.863 6.525 532 HB THR 67 HB THR 67 12.666 18.990 8.646 533 HG1 THR 67 HG1 THR 67 13.110 16.265 9.245 534 HG21 THR 67 HG21 THR 67 10.882 16.769 9.682 535 HG22 THR 67 HG22 THR 67 10.421 18.456 9.460 536 HG23 THR 67 HG23 THR 67 11.619 18.023 10.679 537 H ASN 68 H ASN 68 13.511 15.709 7.802 538 HA ASN 68 HA ASN 68 12.384 13.487 6.482 539 HB2 ASN 68 HB2 ASN 68 14.679 13.619 7.550 540 HB3 ASN 68 HB3 ASN 68 13.892 13.354 9.107 541 HD21 ASN 68 HD21 ASN 68 13.222 11.867 5.891 542 HD22 ASN 68 HD22 ASN 68 13.448 10.269 6.419 543 H THR 69 H THR 69 10.263 12.925 6.764 544 HA THR 69 HA THR 69 9.408 11.864 9.326 545 HB THR 69 HB THR 69 7.880 14.273 8.306 546 HG1 THR 69 HG1 THR 69 8.936 15.460 9.804 547 HG21 THR 69 HG21 THR 69 7.839 12.918 11.012 548 HG22 THR 69 HG22 THR 69 6.728 12.501 9.708 549 HG23 THR 69 HG23 THR 69 6.709 14.124 10.397 550 H LEU 70 H LEU 70 8.342 13.094 6.163 551 HA LEU 70 HA LEU 70 6.055 11.375 5.938 552 HB2 LEU 70 HB2 LEU 70 7.781 12.848 3.932 553 HB3 LEU 70 HB3 LEU 70 6.404 11.885 3.429 554 HG LEU 70 HG LEU 70 6.022 14.411 3.764 555 HD11 LEU 70 HD11 LEU 70 4.188 12.648 5.401 556 HD12 LEU 70 HD12 LEU 70 4.208 12.639 3.638 557 HD13 LEU 70 HD13 LEU 70 3.775 14.106 4.507 558 HD21 LEU 70 HD21 LEU 70 7.252 14.527 5.951 559 HD22 LEU 70 HD22 LEU 70 5.928 13.621 6.690 560 HD23 LEU 70 HD23 LEU 70 5.632 15.215 6.004 561 H GLU 71 H GLU 71 9.374 11.123 4.650 562 HA GLU 71 HA GLU 71 9.001 8.526 3.486 563 HB2 GLU 71 HB2 GLU 71 11.590 9.657 4.590 564 HB3 GLU 71 HB3 GLU 71 11.413 8.433 3.332 565 HG2 GLU 71 HG2 GLU 71 10.475 11.311 3.128 566 HG3 GLU 71 HG3 GLU 71 11.912 10.644 2.352 567 H VAL 72 H VAL 72 9.559 9.628 6.734 568 HA VAL 72 HA VAL 72 10.463 7.069 7.770 569 HB VAL 72 HB VAL 72 9.182 9.340 9.293 570 HG11 VAL 72 HG11 VAL 72 9.412 7.274 10.573 571 HG12 VAL 72 HG12 VAL 72 10.606 8.443 11.139 572 HG13 VAL 72 HG13 VAL 72 11.097 7.124 10.076 573 HG21 VAL 72 HG21 VAL 72 12.063 8.911 8.451 574 HG22 VAL 72 HG22 VAL 72 11.558 10.087 9.663 575 HG23 VAL 72 HG23 VAL 72 11.018 10.255 7.993 576 H HIS 73 H HIS 73 7.344 8.758 7.600 577 HA HIS 73 HA HIS 73 5.796 6.921 9.113 578 HB2 HIS 73 HB2 HIS 73 5.103 8.577 6.664 579 HB3 HIS 73 HB3 HIS 73 3.905 7.604 7.518 580 HD1 HIS 73 HD1 HIS 73 4.561 10.932 7.350 581 HD2 HIS 73 HD2 HIS 73 4.638 8.341 10.619 582 HE1 HIS 73 HE1 HIS 73 4.281 12.373 9.416 583 HE2 HIS 73 HE2 HIS 73 4.326 10.806 11.410 584 H ILE 74 H ILE 74 6.893 6.876 5.775 585 HA ILE 74 HA ILE 74 5.547 4.443 5.006 586 HB ILE 74 HB ILE 74 8.190 5.495 3.950 587 HG12 ILE 74 HG12 ILE 74 6.565 7.282 3.785 588 HG13 ILE 74 HG13 ILE 74 6.767 6.584 2.184 589 HG21 ILE 74 HG21 ILE 74 6.075 3.677 2.765 590 HG22 ILE 74 HG22 ILE 74 7.712 3.222 3.236 591 HG23 ILE 74 HG23 ILE 74 7.458 4.313 1.875 592 HD11 ILE 74 HD11 ILE 74 4.444 6.319 4.082 593 HD12 ILE 74 HD12 ILE 74 4.715 5.093 2.843 594 HD13 ILE 74 HD13 ILE 74 4.436 6.768 2.379 595 H HIS 75 H HIS 75 8.713 5.134 6.440 596 HA HIS 75 HA HIS 75 9.622 2.405 6.402 597 HB2 HIS 75 HB2 HIS 75 11.164 4.307 6.730 598 HB3 HIS 75 HB3 HIS 75 10.385 4.672 8.270 599 HD1 HIS 75 HD1 HIS 75 10.525 1.084 7.779 600 HD2 HIS 75 HD2 HIS 75 13.158 3.976 9.230 601 HE1 HIS 75 HE1 HIS 75 12.310 -0.159 9.080 602 HE2 HIS 75 HE2 HIS 75 13.917 1.592 9.968 603 H ASN 76 H ASN 76 7.858 4.350 8.804 604 HA ASN 76 HA ASN 76 7.855 2.349 10.856 605 HB2 ASN 76 HB2 ASN 76 5.965 4.640 10.260 606 HB3 ASN 76 HB3 ASN 76 5.836 3.628 11.700 607 HD21 ASN 76 HD21 ASN 76 6.495 5.196 13.267 608 HD22 ASN 76 HD22 ASN 76 8.041 5.898 13.277 609 H LEU 77 H LEU 77 5.540 3.112 8.265 610 HA LEU 77 HA LEU 77 3.693 1.016 9.002 611 HB2 LEU 77 HB2 LEU 77 4.102 2.443 6.359 612 HB3 LEU 77 HB3 LEU 77 2.737 1.395 6.728 613 HG LEU 77 HG LEU 77 3.435 3.837 8.388 614 HD11 LEU 77 HD11 LEU 77 1.509 3.579 6.058 615 HD12 LEU 77 HD12 LEU 77 2.958 4.584 6.117 616 HD13 LEU 77 HD13 LEU 77 1.579 4.962 7.149 617 HD21 LEU 77 HD21 LEU 77 1.067 1.949 8.242 618 HD22 LEU 77 HD22 LEU 77 0.887 3.578 8.891 619 HD23 LEU 77 HD23 LEU 77 1.992 2.447 9.658 620 H ARG 78 H ARG 78 6.497 1.183 6.860 621 HA ARG 78 HA ARG 78 6.198 -1.149 5.360 622 HB2 ARG 78 HB2 ARG 78 8.127 0.499 5.284 623 HB3 ARG 78 HB3 ARG 78 8.793 -0.333 6.688 624 HG2 ARG 78 HG2 ARG 78 8.898 -2.431 5.447 625 HG3 ARG 78 HG3 ARG 78 8.118 -1.677 4.056 626 HD2 ARG 78 HD2 ARG 78 10.505 -1.722 3.640 627 HD3 ARG 78 HD3 ARG 78 10.035 -0.052 3.948 628 HE ARG 78 HE ARG 78 10.774 -1.063 6.443 629 HH11 ARG 78 HH11 ARG 78 12.164 -0.718 3.305 630 HH12 ARG 78 HH12 ARG 78 13.782 -0.538 3.897 631 HH21 ARG 78 HH21 ARG 78 12.878 -0.830 7.232 632 HH22 ARG 78 HH22 ARG 78 14.186 -0.601 6.120 633 H GLU 79 H GLU 79 7.592 -0.895 8.637 634 HA GLU 79 HA GLU 79 8.100 -3.658 9.010 635 HB2 GLU 79 HB2 GLU 79 7.270 -1.593 11.070 636 HB3 GLU 79 HB3 GLU 79 7.999 -3.156 11.434 637 HG2 GLU 79 HG2 GLU 79 10.025 -2.547 10.231 638 HG3 GLU 79 HG3 GLU 79 9.296 -1.028 9.708 639 H LYS 80 H LYS 80 5.099 -1.842 9.198 640 HA LYS 80 HA LYS 80 3.617 -3.902 10.581 641 HB2 LYS 80 HB2 LYS 80 2.505 -1.720 8.806 642 HB3 LYS 80 HB3 LYS 80 1.666 -2.573 10.100 643 HG2 LYS 80 HG2 LYS 80 4.093 -0.789 10.494 644 HG3 LYS 80 HG3 LYS 80 2.425 -0.303 10.791 645 HD2 LYS 80 HD2 LYS 80 2.316 -2.367 12.371 646 HD3 LYS 80 HD3 LYS 80 4.077 -2.354 12.279 647 HE2 LYS 80 HE2 LYS 80 2.366 -0.006 13.147 648 HE3 LYS 80 HE3 LYS 80 3.253 -1.073 14.234 649 HZ1 LYS 80 HZ1 LYS 80 5.303 -0.381 13.303 650 HZ2 LYS 80 HZ2 LYS 80 4.424 1.027 13.648 651 HZ3 LYS 80 HZ3 LYS 80 4.534 0.467 12.048 652 H ILE 81 H ILE 81 3.934 -2.996 7.139 653 HA ILE 81 HA ILE 81 2.151 -5.173 6.312 654 HB ILE 81 HB ILE 81 3.036 -4.469 3.976 655 HG12 ILE 81 HG12 ILE 81 4.026 -2.085 5.558 656 HG13 ILE 81 HG13 ILE 81 5.091 -3.350 4.951 657 HG21 ILE 81 HG21 ILE 81 1.611 -2.447 3.973 658 HG22 ILE 81 HG22 ILE 81 1.636 -2.427 5.736 659 HG23 ILE 81 HG23 ILE 81 0.851 -3.754 4.880 660 HD11 ILE 81 HD11 ILE 81 4.205 -2.914 2.647 661 HD12 ILE 81 HD12 ILE 81 5.054 -1.532 3.335 662 HD13 ILE 81 HD13 ILE 81 3.291 -1.554 3.300 663 H GLY 82 H GLY 82 5.639 -4.557 6.369 664 HA2 GLY 82 HA2 GLY 82 7.297 -6.296 6.509 665 HA3 GLY 82 HA3 GLY 82 6.106 -7.466 5.921 666 H LYS 83 H LYS 83 8.578 -5.311 5.026 667 HA LYS 83 HA LYS 83 8.107 -4.456 2.465 668 HB2 LYS 83 HB2 LYS 83 10.524 -4.785 2.001 669 HB3 LYS 83 HB3 LYS 83 10.241 -4.078 3.590 670 HG2 LYS 83 HG2 LYS 83 10.378 -6.402 4.568 671 HG3 LYS 83 HG3 LYS 83 10.845 -6.984 2.973 672 HD2 LYS 83 HD2 LYS 83 12.954 -6.643 3.919 673 HD3 LYS 83 HD3 LYS 83 12.700 -5.078 3.153 674 HE2 LYS 83 HE2 LYS 83 13.445 -4.603 5.372 675 HE3 LYS 83 HE3 LYS 83 11.707 -4.310 5.395 676 HZ1 LYS 83 HZ1 LYS 83 12.414 -5.621 7.296 677 HZ2 LYS 83 HZ2 LYS 83 13.048 -6.812 6.267 678 HZ3 LYS 83 HZ3 LYS 83 11.374 -6.520 6.297 679 H SER 84 H SER 84 8.234 -7.767 3.455 680 HA SER 84 HA SER 84 8.916 -8.952 0.931 681 HB2 SER 84 HB2 SER 84 7.703 -10.961 1.839 682 HB3 SER 84 HB3 SER 84 8.912 -10.311 2.943 683 HG SER 84 HG SER 84 6.575 -9.057 3.316 684 H ARG 85 H ARG 85 5.706 -8.417 2.436 685 HA ARG 85 HA ARG 85 4.041 -9.224 0.384 686 HB2 ARG 85 HB2 ARG 85 3.441 -8.310 2.685 687 HB3 ARG 85 HB3 ARG 85 3.604 -6.697 1.993 688 HG2 ARG 85 HG2 ARG 85 1.873 -7.217 0.331 689 HG3 ARG 85 HG3 ARG 85 1.734 -8.855 0.972 690 HD2 ARG 85 HD2 ARG 85 1.181 -7.809 3.221 691 HD3 ARG 85 HD3 ARG 85 1.060 -6.261 2.384 692 HE ARG 85 HE ARG 85 -0.853 -8.478 2.213 693 HH11 ARG 85 HH11 ARG 85 0.445 -5.615 0.791 694 HH12 ARG 85 HH12 ARG 85 -0.985 -5.259 -0.118 695 HH21 ARG 85 HH21 ARG 85 -2.729 -8.025 1.033 696 HH22 ARG 85 HH22 ARG 85 -2.780 -6.622 0.018 697 H ILE 86 H ILE 86 6.295 -6.621 0.229 698 HA ILE 86 HA ILE 86 5.076 -5.705 -2.351 699 HB ILE 86 HB ILE 86 5.889 -3.400 -1.643 700 HG12 ILE 86 HG12 ILE 86 5.834 -4.621 1.124 701 HG13 ILE 86 HG13 ILE 86 7.329 -4.356 0.225 702 HG21 ILE 86 HG21 ILE 86 3.497 -4.098 -1.608 703 HG22 ILE 86 HG22 ILE 86 3.876 -2.939 -0.336 704 HG23 ILE 86 HG23 ILE 86 3.714 -4.651 0.052 705 HD11 ILE 86 HD11 ILE 86 7.015 -1.995 0.195 706 HD12 ILE 86 HD12 ILE 86 6.653 -2.496 1.845 707 HD13 ILE 86 HD13 ILE 86 5.340 -2.131 0.725 708 H ARG 87 H ARG 87 6.679 -4.444 -3.646 709 HA ARG 87 HA ARG 87 9.534 -5.232 -3.182 710 HB2 ARG 87 HB2 ARG 87 8.431 -6.842 -4.776 711 HB3 ARG 87 HB3 ARG 87 8.108 -5.479 -5.849 712 HG2 ARG 87 HG2 ARG 87 10.482 -5.021 -6.072 713 HG3 ARG 87 HG3 ARG 87 10.870 -6.254 -4.872 714 HD2 ARG 87 HD2 ARG 87 10.027 -8.009 -6.323 715 HD3 ARG 87 HD3 ARG 87 9.453 -6.819 -7.491 716 HE ARG 87 HE ARG 87 12.184 -7.766 -7.239 717 HH11 ARG 87 HH11 ARG 87 10.146 -5.095 -8.016 718 HH12 ARG 87 HH12 ARG 87 11.295 -4.357 -9.081 719 HH21 ARG 87 HH21 ARG 87 13.697 -6.816 -8.623 720 HH22 ARG 87 HH22 ARG 87 13.305 -5.330 -9.423 721 H THR 88 H THR 88 10.748 -3.403 -3.274 722 HA THR 88 HA THR 88 9.622 -0.968 -4.537 723 HB THR 88 HB THR 88 11.167 0.240 -3.261 724 HG1 THR 88 HG1 THR 88 13.087 -0.513 -3.861 725 HG21 THR 88 HG21 THR 88 9.675 -1.282 -1.840 726 HG22 THR 88 HG22 THR 88 11.116 -0.645 -1.050 727 HG23 THR 88 HG23 THR 88 11.093 -2.308 -1.636 728 H VAL 89 H VAL 89 10.369 -0.116 -6.434 729 HA VAL 89 HA VAL 89 12.467 -1.648 -7.915 730 HB VAL 89 HB VAL 89 10.537 0.433 -8.967 731 HG11 VAL 89 HG11 VAL 89 11.072 -0.674 -11.134 732 HG12 VAL 89 HG12 VAL 89 12.241 -1.695 -10.298 733 HG13 VAL 89 HG13 VAL 89 12.496 0.048 -10.384 734 HG21 VAL 89 HG21 VAL 89 10.312 -2.583 -8.763 735 HG22 VAL 89 HG22 VAL 89 9.301 -1.607 -9.827 736 HG23 VAL 89 HG23 VAL 89 9.216 -1.381 -8.081 737 H ARG 90 H ARG 90 14.462 -0.792 -7.952 738 HA ARG 90 HA ARG 90 16.201 0.769 -7.778 739 HB2 ARG 90 HB2 ARG 90 14.959 1.267 -10.026 740 HB3 ARG 90 HB3 ARG 90 14.365 2.707 -9.204 741 HG2 ARG 90 HG2 ARG 90 16.782 3.264 -8.653 742 HG3 ARG 90 HG3 ARG 90 17.253 1.945 -9.723 743 HD2 ARG 90 HD2 ARG 90 15.548 4.317 -10.534 744 HD3 ARG 90 HD3 ARG 90 17.262 4.128 -10.900 745 HE ARG 90 HE ARG 90 16.049 1.814 -11.889 746 HH11 ARG 90 HH11 ARG 90 15.766 5.230 -12.272 747 HH12 ARG 90 HH12 ARG 90 15.245 5.135 -13.921 748 HH21 ARG 90 HH21 ARG 90 15.370 1.672 -14.041 749 HH22 ARG 90 HH22 ARG 90 15.020 3.122 -14.922 750 H GLY 91 H GLY 91 14.157 0.780 -5.605 751 HA2 GLY 91 HA2 GLY 91 13.510 2.123 -3.781 752 HA3 GLY 91 HA3 GLY 91 15.095 2.862 -4.002 753 H PHE 92 H PHE 92 12.082 2.918 -5.923 754 HA PHE 92 HA PHE 92 11.973 5.872 -5.642 755 HB2 PHE 92 HB2 PHE 92 13.061 5.672 -7.747 756 HB3 PHE 92 HB3 PHE 92 12.095 4.271 -8.204 757 HD1 PHE 92 HD1 PHE 92 12.023 7.954 -7.695 758 HD2 PHE 92 HD2 PHE 92 9.918 4.524 -9.200 759 HE1 PHE 92 HE1 PHE 92 10.375 9.445 -8.798 760 HE2 PHE 92 HE2 PHE 92 8.270 6.016 -10.299 761 HZ PHE 92 HZ PHE 92 8.497 8.475 -10.099 762 H GLY 93 H GLY 93 10.201 3.379 -7.501 763 HA2 GLY 93 HA2 GLY 93 7.653 4.421 -6.338 764 HA3 GLY 93 HA3 GLY 93 7.801 3.433 -7.791 765 H TYR 94 H TYR 94 6.279 1.917 -6.956 766 HA TYR 94 HA TYR 94 7.509 -0.115 -5.197 767 HB2 TYR 94 HB2 TYR 94 5.064 1.505 -4.488 768 HB3 TYR 94 HB3 TYR 94 5.185 -0.163 -3.932 769 HD1 TYR 94 HD1 TYR 94 6.738 3.195 -3.786 770 HD2 TYR 94 HD2 TYR 94 6.766 -0.804 -2.220 771 HE1 TYR 94 HE1 TYR 94 8.233 3.920 -1.954 772 HE2 TYR 94 HE2 TYR 94 8.258 -0.074 -0.384 773 HH TYR 94 HH TYR 94 8.778 2.111 0.806 774 H MET 95 H MET 95 6.215 -2.139 -5.263 775 HA MET 95 HA MET 95 4.080 -2.351 -7.254 776 HB2 MET 95 HB2 MET 95 6.177 -2.190 -8.644 777 HB3 MET 95 HB3 MET 95 6.725 -3.682 -7.883 778 HG2 MET 95 HG2 MET 95 4.759 -4.871 -8.725 779 HG3 MET 95 HG3 MET 95 4.125 -3.378 -9.413 780 HE1 MET 95 HE1 MET 95 8.094 -4.579 -9.604 781 HE2 MET 95 HE2 MET 95 7.676 -5.909 -10.693 782 HE3 MET 95 HE3 MET 95 6.904 -5.782 -9.115 783 H LEU 96 H LEU 96 2.806 -3.980 -6.610 784 HA LEU 96 HA LEU 96 3.732 -5.839 -4.523 785 HB2 LEU 96 HB2 LEU 96 1.096 -5.244 -5.873 786 HB3 LEU 96 HB3 LEU 96 1.273 -6.723 -4.929 787 HG LEU 96 HG LEU 96 1.885 -5.446 -2.948 788 HD11 LEU 96 HD11 LEU 96 1.732 -3.066 -4.820 789 HD12 LEU 96 HD12 LEU 96 3.135 -3.617 -3.903 790 HD13 LEU 96 HD13 LEU 96 1.753 -2.919 -3.062 791 HD21 LEU 96 HD21 LEU 96 -0.510 -5.746 -3.356 792 HD22 LEU 96 HD22 LEU 96 -0.541 -4.302 -4.368 793 HD23 LEU 96 HD23 LEU 96 -0.229 -4.160 -2.638 794 H ALA 97 H ALA 97 4.299 -7.958 -4.855 795 HA ALA 97 HA ALA 97 4.825 -8.854 -7.560 796 HB1 ALA 97 HB1 ALA 97 5.501 -10.986 -6.432 797 HB2 ALA 97 HB2 ALA 97 4.930 -10.314 -4.904 798 HB3 ALA 97 HB3 ALA 97 6.285 -9.563 -5.746 799 H ASN 98 H ASN 98 3.294 -9.678 -8.893 800 HA ASN 98 HA ASN 98 0.722 -10.620 -7.832 801 HB2 ASN 98 HB2 ASN 98 1.789 -10.620 -10.673 802 HB3 ASN 98 HB3 ASN 98 0.114 -10.893 -10.195 803 HD21 ASN 98 HD21 ASN 98 2.583 -8.431 -9.233 804 HD22 ASN 98 HD22 ASN 98 1.575 -7.097 -9.529 805 H ASN 99 H ASN 99 0.909 -12.600 -6.824 806 HA ASN 99 HA ASN 99 1.244 -14.903 -6.588 807 HB2 ASN 99 HB2 ASN 99 1.523 -15.032 -9.599 808 HB3 ASN 99 HB3 ASN 99 0.864 -16.247 -8.504 809 HD21 ASN 99 HD21 ASN 99 -0.744 -14.333 -6.930 810 HD22 ASN 99 HD22 ASN 99 -2.029 -13.850 -7.930 811 H ILE 100 H ILE 100 3.148 -15.554 -5.736 812 HA ILE 100 HA ILE 100 5.694 -14.771 -6.902 813 HB ILE 100 HB ILE 100 5.358 -16.884 -4.760 814 HG12 ILE 100 HG12 ILE 100 5.117 -13.872 -4.438 815 HG13 ILE 100 HG13 ILE 100 3.854 -15.061 -4.121 816 HG21 ILE 100 HG21 ILE 100 7.482 -16.082 -3.986 817 HG22 ILE 100 HG22 ILE 100 7.388 -14.645 -5.004 818 HG23 ILE 100 HG23 ILE 100 7.630 -16.230 -5.735 819 HD11 ILE 100 HD11 ILE 100 5.446 -16.110 -2.423 820 HD12 ILE 100 HD12 ILE 100 4.793 -14.530 -1.991 821 HD13 ILE 100 HD13 ILE 100 6.440 -14.665 -2.604 822 H ASP 101 H ASP 101 3.512 -17.120 -7.697 823 HA ASP 101 HA ASP 101 5.336 -18.441 -9.502 824 HB2 ASP 101 HB2 ASP 101 6.012 -19.542 -7.374 825 HB3 ASP 101 HB3 ASP 101 4.348 -20.081 -7.148 826 H THR 102 H THR 102 2.745 -17.140 -9.604 827 HA THR 102 HA THR 102 0.609 -17.468 -10.524 828 HB THR 102 HB THR 102 1.808 -20.018 -11.640 829 HG1 THR 102 HG1 THR 102 3.032 -17.940 -11.882 830 HG21 THR 102 HG21 THR 102 -0.610 -19.686 -11.993 831 HG22 THR 102 HG22 THR 102 0.277 -19.546 -13.511 832 HG23 THR 102 HG23 THR 102 -0.290 -18.095 -12.684 833 H GLU 103 H GLU 103 0.174 -17.992 -8.083 834 HA GLU 103 HA GLU 103 -0.263 -20.739 -7.325 835 HB2 GLU 103 HB2 GLU 103 -1.360 -18.133 -6.236 836 HB3 GLU 103 HB3 GLU 103 -1.666 -19.703 -5.493 837 HG2 GLU 103 HG2 GLU 103 0.761 -20.063 -5.236 838 HG3 GLU 103 HG3 GLU 103 1.072 -18.492 -5.977 Start of MODEL 10 1 H1 ASN 1 H1 ASN 1 -22.897 -1.327 -4.637 2 H2 ASN 1 H2 ASN 1 -24.263 -1.292 -5.649 3 H3 ASN 1 H3 ASN 1 -23.419 -2.747 -5.404 4 HA ASN 1 HA ASN 1 -25.352 -1.400 -3.688 5 HB2 ASN 1 HB2 ASN 1 -24.545 -4.264 -4.262 6 HB3 ASN 1 HB3 ASN 1 -25.801 -3.816 -3.108 7 HD21 ASN 1 HD21 ASN 1 -26.048 -5.277 -5.759 8 HD22 ASN 1 HD22 ASN 1 -27.169 -4.368 -6.653 9 H GLN 2 H GLN 2 -24.738 -0.710 -1.703 10 HA GLN 2 HA GLN 2 -23.570 -0.556 0.317 11 HB2 GLN 2 HB2 GLN 2 -24.461 -2.997 0.351 12 HB3 GLN 2 HB3 GLN 2 -22.812 -3.466 -0.055 13 HG2 GLN 2 HG2 GLN 2 -22.956 -3.552 2.334 14 HG3 GLN 2 HG3 GLN 2 -22.058 -2.082 1.955 15 HE21 GLN 2 HE21 GLN 2 -23.094 -1.809 4.363 16 HE22 GLN 2 HE22 GLN 2 -24.553 -0.942 4.384 17 H GLY 3 H GLY 3 -22.179 0.227 -2.003 18 HA2 GLY 3 HA2 GLY 3 -20.005 0.620 -2.813 19 HA3 GLY 3 HA3 GLY 3 -19.534 0.489 -1.119 20 H ASP 4 H ASP 4 -20.988 -2.149 -2.948 21 HA ASP 4 HA ASP 4 -19.117 -4.092 -2.144 22 HB2 ASP 4 HB2 ASP 4 -19.921 -5.404 -4.123 23 HB3 ASP 4 HB3 ASP 4 -21.237 -4.725 -3.163 24 H ASN 5 H ASN 5 -16.947 -3.998 -2.495 25 HA ASN 5 HA ASN 5 -15.890 -3.913 -5.190 26 HB2 ASN 5 HB2 ASN 5 -16.282 -1.502 -4.877 27 HB3 ASN 5 HB3 ASN 5 -15.364 -1.541 -3.371 28 HD21 ASN 5 HD21 ASN 5 -13.809 0.010 -4.373 29 HD22 ASN 5 HD22 ASN 5 -12.654 -0.553 -5.482 30 H GLU 6 H GLU 6 -14.129 -5.225 -5.100 31 HA GLU 6 HA GLU 6 -12.179 -5.030 -2.939 32 HB2 GLU 6 HB2 GLU 6 -12.469 -7.310 -2.087 33 HB3 GLU 6 HB3 GLU 6 -13.960 -6.393 -1.869 34 HG2 GLU 6 HG2 GLU 6 -14.752 -7.373 -4.078 35 HG3 GLU 6 HG3 GLU 6 -13.359 -8.453 -4.006 36 H ILE 7 H ILE 7 -10.308 -6.408 -3.349 37 HA ILE 7 HA ILE 7 -10.211 -7.886 -5.909 38 HB ILE 7 HB ILE 7 -8.199 -6.584 -6.658 39 HG12 ILE 7 HG12 ILE 7 -9.073 -4.733 -4.415 40 HG13 ILE 7 HG13 ILE 7 -7.562 -5.640 -4.488 41 HG21 ILE 7 HG21 ILE 7 -10.580 -6.138 -7.457 42 HG22 ILE 7 HG22 ILE 7 -9.457 -4.792 -7.638 43 HG23 ILE 7 HG23 ILE 7 -10.620 -4.795 -6.314 44 HD11 ILE 7 HD11 ILE 7 -8.438 -3.370 -6.290 45 HD12 ILE 7 HD12 ILE 7 -7.061 -4.410 -6.657 46 HD13 ILE 7 HD13 ILE 7 -7.050 -3.410 -5.206 47 H SER 8 H SER 8 -8.070 -9.033 -6.105 48 HA SER 8 HA SER 8 -6.555 -9.296 -3.549 49 HB2 SER 8 HB2 SER 8 -7.928 -11.605 -4.958 50 HB3 SER 8 HB3 SER 8 -6.785 -11.767 -3.628 51 HG SER 8 HG SER 8 -8.371 -11.347 -2.329 52 H VAL 9 H VAL 9 -4.541 -10.434 -3.833 53 HA VAL 9 HA VAL 9 -3.664 -11.083 -6.567 54 HB VAL 9 HB VAL 9 -3.243 -8.700 -6.578 55 HG11 VAL 9 HG11 VAL 9 -3.213 -8.587 -3.968 56 HG12 VAL 9 HG12 VAL 9 -2.183 -7.479 -4.866 57 HG13 VAL 9 HG13 VAL 9 -1.487 -8.914 -4.124 58 HG21 VAL 9 HG21 VAL 9 -0.610 -10.045 -5.921 59 HG22 VAL 9 HG22 VAL 9 -0.884 -8.695 -7.022 60 HG23 VAL 9 HG23 VAL 9 -1.473 -10.305 -7.437 61 H GLY 10 H GLY 10 -3.176 -13.146 -5.886 62 HA2 GLY 10 HA2 GLY 10 -1.648 -14.764 -5.072 63 HA3 GLY 10 HA3 GLY 10 -0.730 -13.471 -4.297 64 H ASN 11 H ASN 11 -0.803 -13.533 -2.116 65 HA ASN 11 HA ASN 11 -3.056 -14.966 -0.765 66 HB2 ASN 11 HB2 ASN 11 -0.350 -14.087 0.284 67 HB3 ASN 11 HB3 ASN 11 -1.545 -15.026 1.180 68 HD21 ASN 11 HD21 ASN 11 0.724 -16.404 1.012 69 HD22 ASN 11 HD22 ASN 11 0.706 -17.569 -0.222 70 H LEU 12 H LEU 12 -2.580 -11.893 -1.710 71 HA LEU 12 HA LEU 12 -3.422 -10.638 0.883 72 HB2 LEU 12 HB2 LEU 12 -2.619 -9.179 -1.645 73 HB3 LEU 12 HB3 LEU 12 -2.629 -8.577 0.012 74 HG LEU 12 HG LEU 12 -0.777 -10.703 -1.110 75 HD11 LEU 12 HD11 LEU 12 -0.158 -7.932 -0.050 76 HD12 LEU 12 HD12 LEU 12 -0.346 -8.305 -1.764 77 HD13 LEU 12 HD13 LEU 12 0.959 -9.046 -0.838 78 HD21 LEU 12 HD21 LEU 12 0.338 -10.368 1.184 79 HD22 LEU 12 HD22 LEU 12 -1.173 -11.274 1.179 80 HD23 LEU 12 HD23 LEU 12 -1.160 -9.584 1.682 81 H ARG 13 H ARG 13 -5.516 -10.080 1.113 82 HA ARG 13 HA ARG 13 -7.239 -9.786 -1.341 83 HB2 ARG 13 HB2 ARG 13 -7.903 -11.737 -0.033 84 HB3 ARG 13 HB3 ARG 13 -7.975 -10.763 1.430 85 HG2 ARG 13 HG2 ARG 13 -9.828 -9.483 0.597 86 HG3 ARG 13 HG3 ARG 13 -9.646 -10.163 -1.021 87 HD2 ARG 13 HD2 ARG 13 -10.292 -12.366 -0.223 88 HD3 ARG 13 HD3 ARG 13 -10.330 -11.790 1.444 89 HE ARG 13 HE ARG 13 -12.108 -10.247 -0.240 90 HH11 ARG 13 HH11 ARG 13 -11.666 -13.223 1.446 91 HH12 ARG 13 HH12 ARG 13 -13.361 -13.492 1.684 92 HH21 ARG 13 HH21 ARG 13 -14.322 -10.581 0.063 93 HH22 ARG 13 HH22 ARG 13 -14.864 -11.996 0.902 94 H LEU 14 H LEU 14 -8.170 -7.810 -1.598 95 HA LEU 14 HA LEU 14 -8.028 -5.858 0.688 96 HB2 LEU 14 HB2 LEU 14 -6.650 -5.464 -1.457 97 HB3 LEU 14 HB3 LEU 14 -8.193 -5.180 -2.257 98 HG LEU 14 HG LEU 14 -8.582 -3.522 -0.185 99 HD11 LEU 14 HD11 LEU 14 -6.266 -4.292 0.736 100 HD12 LEU 14 HD12 LEU 14 -6.639 -2.572 0.751 101 HD13 LEU 14 HD13 LEU 14 -5.587 -3.236 -0.499 102 HD21 LEU 14 HD21 LEU 14 -7.691 -1.678 -1.561 103 HD22 LEU 14 HD22 LEU 14 -8.541 -2.852 -2.566 104 HD23 LEU 14 HD23 LEU 14 -6.777 -2.833 -2.530 105 H ASN 15 H ASN 15 -10.011 -5.487 1.549 106 HA ASN 15 HA ASN 15 -12.432 -5.588 -0.243 107 HB2 ASN 15 HB2 ASN 15 -12.094 -6.082 2.727 108 HB3 ASN 15 HB3 ASN 15 -13.672 -5.831 1.979 109 HD21 ASN 15 HD21 ASN 15 -14.249 -8.096 2.527 110 HD22 ASN 15 HD22 ASN 15 -13.628 -9.380 1.606 111 H VAL 16 H VAL 16 -12.483 -3.444 -0.935 112 HA VAL 16 HA VAL 16 -11.985 -1.185 0.786 113 HB VAL 16 HB VAL 16 -13.612 -1.257 -1.766 114 HG11 VAL 16 HG11 VAL 16 -13.787 0.840 -0.519 115 HG12 VAL 16 HG12 VAL 16 -12.791 1.090 -1.954 116 HG13 VAL 16 HG13 VAL 16 -12.032 0.924 -0.370 117 HG21 VAL 16 HG21 VAL 16 -11.467 -2.307 -2.202 118 HG22 VAL 16 HG22 VAL 16 -10.619 -1.036 -1.322 119 HG23 VAL 16 HG23 VAL 16 -11.416 -0.668 -2.852 120 H THR 17 H THR 17 -14.806 -3.104 0.034 121 HA THR 17 HA THR 17 -16.796 -1.270 0.949 122 HB THR 17 HB THR 17 -17.806 -3.025 -0.189 123 HG1 THR 17 HG1 THR 17 -17.725 -3.905 2.504 124 HG21 THR 17 HG21 THR 17 -15.918 -4.400 -0.616 125 HG22 THR 17 HG22 THR 17 -17.063 -5.448 0.217 126 HG23 THR 17 HG23 THR 17 -15.694 -4.769 1.091 127 H ARG 18 H ARG 18 -15.233 -4.018 2.639 128 HA ARG 18 HA ARG 18 -16.299 -3.040 5.230 129 HB2 ARG 18 HB2 ARG 18 -14.461 -5.397 4.713 130 HB3 ARG 18 HB3 ARG 18 -15.450 -5.101 6.144 131 HG2 ARG 18 HG2 ARG 18 -17.494 -5.273 4.743 132 HG3 ARG 18 HG3 ARG 18 -16.483 -5.638 3.344 133 HD2 ARG 18 HD2 ARG 18 -15.679 -7.671 4.368 134 HD3 ARG 18 HD3 ARG 18 -16.460 -7.270 5.896 135 HE ARG 18 HE ARG 18 -17.756 -8.465 3.586 136 HH11 ARG 18 HH11 ARG 18 -18.108 -6.389 6.317 137 HH12 ARG 18 HH12 ARG 18 -19.809 -6.667 6.477 138 HH21 ARG 18 HH21 ARG 18 -19.976 -8.841 3.781 139 HH22 ARG 18 HH22 ARG 18 -20.868 -8.055 5.040 140 H ARG 19 H ARG 19 -13.631 -2.546 3.261 141 HA ARG 19 HA ARG 19 -11.545 -1.543 3.598 142 HB2 ARG 19 HB2 ARG 19 -12.756 -0.618 6.226 143 HB3 ARG 19 HB3 ARG 19 -11.378 0.094 5.400 144 HG2 ARG 19 HG2 ARG 19 -14.100 -0.094 4.084 145 HG3 ARG 19 HG3 ARG 19 -13.655 1.269 5.105 146 HD2 ARG 19 HD2 ARG 19 -11.611 1.575 3.618 147 HD3 ARG 19 HD3 ARG 19 -12.333 0.394 2.525 148 HE ARG 19 HE ARG 19 -14.348 2.256 2.921 149 HH11 ARG 19 HH11 ARG 19 -11.040 2.303 1.947 150 HH12 ARG 19 HH12 ARG 19 -11.222 3.690 0.926 151 HH21 ARG 19 HH21 ARG 19 -14.604 4.067 1.593 152 HH22 ARG 19 HH22 ARG 19 -13.241 4.688 0.724 153 H LEU 20 H LEU 20 -11.018 -3.952 3.906 154 HA LEU 20 HA LEU 20 -9.490 -4.266 6.419 155 HB2 LEU 20 HB2 LEU 20 -11.451 -6.302 5.323 156 HB3 LEU 20 HB3 LEU 20 -10.255 -6.666 6.559 157 HG LEU 20 HG LEU 20 -12.401 -4.534 6.831 158 HD11 LEU 20 HD11 LEU 20 -13.448 -6.183 8.405 159 HD12 LEU 20 HD12 LEU 20 -12.281 -7.383 7.852 160 HD13 LEU 20 HD13 LEU 20 -13.455 -6.710 6.721 161 HD21 LEU 20 HD21 LEU 20 -10.238 -5.606 8.657 162 HD22 LEU 20 HD22 LEU 20 -11.732 -4.973 9.346 163 HD23 LEU 20 HD23 LEU 20 -10.711 -3.934 8.363 164 H VAL 21 H VAL 21 -7.758 -5.900 6.158 165 HA VAL 21 HA VAL 21 -7.217 -6.720 3.339 166 HB VAL 21 HB VAL 21 -5.166 -5.330 5.078 167 HG11 VAL 21 HG11 VAL 21 -4.358 -6.896 3.297 168 HG12 VAL 21 HG12 VAL 21 -3.884 -5.223 3.005 169 HG13 VAL 21 HG13 VAL 21 -5.224 -5.929 2.103 170 HG21 VAL 21 HG21 VAL 21 -5.523 -3.428 3.393 171 HG22 VAL 21 HG22 VAL 21 -6.790 -3.649 4.598 172 HG23 VAL 21 HG23 VAL 21 -7.027 -4.237 2.954 173 H TRP 22 H TRP 22 -6.656 -8.841 3.354 174 HA TRP 22 HA TRP 22 -5.641 -10.060 5.889 175 HB2 TRP 22 HB2 TRP 22 -6.737 -11.302 3.352 176 HB3 TRP 22 HB3 TRP 22 -6.127 -12.218 4.725 177 HD1 TRP 22 HD1 TRP 22 -7.728 -12.632 6.682 178 HE1 TRP 22 HE1 TRP 22 -10.120 -11.866 7.267 179 HE3 TRP 22 HE3 TRP 22 -8.442 -9.128 3.040 180 HZ2 TRP 22 HZ2 TRP 22 -12.078 -10.009 6.312 181 HZ3 TRP 22 HZ3 TRP 22 -10.569 -7.880 2.902 182 HH2 TRP 22 HH2 TRP 22 -12.393 -8.315 4.527 183 H LEU 23 H LEU 23 -3.764 -11.399 5.813 184 HA LEU 23 HA LEU 23 -2.050 -11.287 3.386 185 HB2 LEU 23 HB2 LEU 23 -1.358 -9.306 4.552 186 HB3 LEU 23 HB3 LEU 23 -1.363 -10.135 6.101 187 HG LEU 23 HG LEU 23 0.442 -11.432 4.129 188 HD11 LEU 23 HD11 LEU 23 2.211 -9.597 4.417 189 HD12 LEU 23 HD12 LEU 23 0.886 -8.537 4.898 190 HD13 LEU 23 HD13 LEU 23 0.905 -9.246 3.284 191 HD21 LEU 23 HD21 LEU 23 2.045 -11.243 6.042 192 HD22 LEU 23 HD22 LEU 23 0.520 -11.991 6.513 193 HD23 LEU 23 HD23 LEU 23 0.840 -10.308 6.928 194 H GLY 24 H GLY 24 -1.540 -13.421 3.103 195 HA2 GLY 24 HA2 GLY 24 -0.872 -15.617 3.650 196 HA3 GLY 24 HA3 GLY 24 -0.197 -14.946 5.142 197 H GLU 25 H GLU 25 -3.508 -14.750 4.021 198 HA GLU 25 HA GLU 25 -5.521 -15.505 4.930 199 HB2 GLU 25 HB2 GLU 25 -4.168 -17.735 4.809 200 HB3 GLU 25 HB3 GLU 25 -3.984 -17.549 6.551 201 HG2 GLU 25 HG2 GLU 25 -6.440 -17.417 6.796 202 HG3 GLU 25 HG3 GLU 25 -6.620 -17.624 5.053 203 H THR 26 H THR 26 -3.027 -14.156 6.720 204 HA THR 26 HA THR 26 -4.603 -14.109 9.274 205 HB THR 26 HB THR 26 -2.601 -13.140 10.281 206 HG1 THR 26 HG1 THR 26 -0.820 -12.705 9.062 207 HG21 THR 26 HG21 THR 26 -1.744 -15.468 8.552 208 HG22 THR 26 HG22 THR 26 -2.841 -15.653 9.920 209 HG23 THR 26 HG23 THR 26 -1.197 -15.071 10.180 210 H ALA 27 H ALA 27 -5.508 -12.220 10.030 211 HA ALA 27 HA ALA 27 -6.149 -10.146 8.196 212 HB1 ALA 27 HB1 ALA 27 -7.547 -10.555 10.132 213 HB2 ALA 27 HB2 ALA 27 -6.923 -8.909 10.240 214 HB3 ALA 27 HB3 ALA 27 -6.212 -10.188 11.225 215 H LEU 28 H LEU 28 -4.736 -8.697 7.364 216 HA LEU 28 HA LEU 28 -2.217 -8.062 8.673 217 HB2 LEU 28 HB2 LEU 28 -2.581 -8.107 6.172 218 HB3 LEU 28 HB3 LEU 28 -3.552 -6.652 6.341 219 HG LEU 28 HG LEU 28 -1.588 -5.481 7.327 220 HD11 LEU 28 HD11 LEU 28 -0.340 -8.199 6.967 221 HD12 LEU 28 HD12 LEU 28 -0.151 -7.048 8.287 222 HD13 LEU 28 HD13 LEU 28 0.677 -6.775 6.761 223 HD21 LEU 28 HD21 LEU 28 -2.125 -5.493 4.849 224 HD22 LEU 28 HD22 LEU 28 -0.922 -6.769 4.661 225 HD23 LEU 28 HD23 LEU 28 -0.434 -5.172 5.224 226 H ASP 29 H ASP 29 -1.913 -6.459 10.171 227 HA ASP 29 HA ASP 29 -4.194 -4.655 10.792 228 HB2 ASP 29 HB2 ASP 29 -1.569 -4.961 12.268 229 HB3 ASP 29 HB3 ASP 29 -3.051 -4.212 12.862 230 H LEU 30 H LEU 30 -4.143 -2.966 9.348 231 HA LEU 30 HA LEU 30 -1.681 -1.251 9.326 232 HB2 LEU 30 HB2 LEU 30 -1.983 -0.775 7.000 233 HB3 LEU 30 HB3 LEU 30 -2.048 -2.523 7.160 234 HG LEU 30 HG LEU 30 -4.444 -0.668 6.890 235 HD11 LEU 30 HD11 LEU 30 -3.025 -1.067 4.846 236 HD12 LEU 30 HD12 LEU 30 -4.690 -1.628 4.698 237 HD13 LEU 30 HD13 LEU 30 -3.395 -2.785 5.000 238 HD21 LEU 30 HD21 LEU 30 -5.559 -3.042 6.529 239 HD22 LEU 30 HD22 LEU 30 -5.302 -2.449 8.164 240 HD23 LEU 30 HD23 LEU 30 -4.187 -3.625 7.469 241 H THR 31 H THR 31 -2.072 0.919 9.708 242 HA THR 31 HA THR 31 -4.563 1.655 10.861 243 HB THR 31 HB THR 31 -3.680 4.022 10.646 244 HG1 THR 31 HG1 THR 31 -1.533 2.610 9.449 245 HG21 THR 31 HG21 THR 31 -3.169 2.646 12.608 246 HG22 THR 31 HG22 THR 31 -1.763 3.614 12.166 247 HG23 THR 31 HG23 THR 31 -1.819 1.899 11.752 248 HA PRO 32 HA PRO 32 -7.324 2.566 7.470 249 HB2 PRO 32 HB2 PRO 32 -7.492 5.345 8.637 250 HB3 PRO 32 HB3 PRO 32 -8.804 4.276 8.091 251 HG2 PRO 32 HG2 PRO 32 -8.267 4.560 10.683 252 HG3 PRO 32 HG3 PRO 32 -8.726 2.982 10.010 253 HD2 PRO 32 HD2 PRO 32 -6.035 3.912 10.941 254 HD3 PRO 32 HD3 PRO 32 -6.721 2.271 10.900 255 H LYS 33 H LYS 33 -5.139 5.301 8.237 256 HA LYS 33 HA LYS 33 -5.119 6.527 5.710 257 HB2 LYS 33 HB2 LYS 33 -2.848 7.368 6.332 258 HB3 LYS 33 HB3 LYS 33 -4.028 7.563 7.626 259 HG2 LYS 33 HG2 LYS 33 -3.189 5.353 8.571 260 HG3 LYS 33 HG3 LYS 33 -1.876 5.447 7.396 261 HD2 LYS 33 HD2 LYS 33 -1.235 7.663 8.321 262 HD3 LYS 33 HD3 LYS 33 -2.503 7.502 9.535 263 HE2 LYS 33 HE2 LYS 33 -0.244 6.819 10.377 264 HE3 LYS 33 HE3 LYS 33 -1.437 5.523 10.461 265 HZ1 LYS 33 HZ1 LYS 33 0.988 5.338 9.285 266 HZ2 LYS 33 HZ2 LYS 33 -0.025 5.638 7.959 267 HZ3 LYS 33 HZ3 LYS 33 -0.328 4.311 8.976 268 H GLU 34 H GLU 34 -3.147 3.792 6.864 269 HA GLU 34 HA GLU 34 -1.553 3.552 4.498 270 HB2 GLU 34 HB2 GLU 34 -2.413 1.501 6.554 271 HB3 GLU 34 HB3 GLU 34 -1.253 1.162 5.271 272 HG2 GLU 34 HG2 GLU 34 0.133 3.078 6.095 273 HG3 GLU 34 HG3 GLU 34 -0.982 3.253 7.446 274 H TYR 35 H TYR 35 -4.743 2.294 5.368 275 HA TYR 35 HA TYR 35 -5.080 0.464 3.235 276 HB2 TYR 35 HB2 TYR 35 -6.636 0.922 5.243 277 HB3 TYR 35 HB3 TYR 35 -7.301 2.241 4.284 278 HD1 TYR 35 HD1 TYR 35 -8.143 1.674 1.890 279 HD2 TYR 35 HD2 TYR 35 -7.413 -1.295 4.914 280 HE1 TYR 35 HE1 TYR 35 -9.564 0.059 0.654 281 HE2 TYR 35 HE2 TYR 35 -8.840 -2.900 3.675 282 HH TYR 35 HH TYR 35 -10.335 -2.015 0.570 283 H ALA 36 H ALA 36 -5.258 3.978 3.298 284 HA ALA 36 HA ALA 36 -6.492 4.222 0.671 285 HB1 ALA 36 HB1 ALA 36 -6.571 6.033 2.393 286 HB2 ALA 36 HB2 ALA 36 -5.934 6.591 0.847 287 HB3 ALA 36 HB3 ALA 36 -4.836 6.263 2.186 288 H LEU 37 H LEU 37 -3.144 4.751 1.843 289 HA LEU 37 HA LEU 37 -2.029 5.128 -0.769 290 HB2 LEU 37 HB2 LEU 37 -0.836 4.229 1.866 291 HB3 LEU 37 HB3 LEU 37 0.141 4.359 0.408 292 HG LEU 37 HG LEU 37 -0.638 6.758 0.200 293 HD11 LEU 37 HD11 LEU 37 -2.628 6.800 1.521 294 HD12 LEU 37 HD12 LEU 37 -1.449 7.751 2.416 295 HD13 LEU 37 HD13 LEU 37 -1.806 6.098 2.912 296 HD21 LEU 37 HD21 LEU 37 0.799 6.071 2.781 297 HD22 LEU 37 HD22 LEU 37 0.926 7.581 1.881 298 HD23 LEU 37 HD23 LEU 37 1.560 6.088 1.192 299 H LEU 38 H LEU 38 -2.561 2.280 1.241 300 HA LEU 38 HA LEU 38 -1.265 0.391 -0.473 301 HB2 LEU 38 HB2 LEU 38 -1.981 0.026 1.939 302 HB3 LEU 38 HB3 LEU 38 -3.629 -0.132 1.341 303 HG LEU 38 HG LEU 38 -2.617 -1.951 -0.271 304 HD11 LEU 38 HD11 LEU 38 -0.709 -3.170 0.834 305 HD12 LEU 38 HD12 LEU 38 -0.505 -1.788 1.905 306 HD13 LEU 38 HD13 LEU 38 -0.256 -1.605 0.170 307 HD21 LEU 38 HD21 LEU 38 -2.857 -2.469 2.710 308 HD22 LEU 38 HD22 LEU 38 -2.979 -3.686 1.439 309 HD23 LEU 38 HD23 LEU 38 -4.202 -2.421 1.570 310 H SER 39 H SER 39 -4.677 1.403 -0.217 311 HA SER 39 HA SER 39 -5.814 -0.316 -2.103 312 HB2 SER 39 HB2 SER 39 -7.514 1.424 -2.470 313 HB3 SER 39 HB3 SER 39 -7.122 1.288 -0.760 314 HG SER 39 HG SER 39 -7.160 3.467 -1.540 315 H ARG 40 H ARG 40 -3.744 2.489 -2.695 316 HA ARG 40 HA ARG 40 -4.361 2.544 -5.558 317 HB2 ARG 40 HB2 ARG 40 -3.580 4.546 -4.225 318 HB3 ARG 40 HB3 ARG 40 -1.995 3.783 -4.127 319 HG2 ARG 40 HG2 ARG 40 -1.981 5.343 -5.986 320 HG3 ARG 40 HG3 ARG 40 -1.916 3.708 -6.629 321 HD2 ARG 40 HD2 ARG 40 -4.076 3.828 -7.504 322 HD3 ARG 40 HD3 ARG 40 -4.625 4.983 -6.288 323 HE ARG 40 HE ARG 40 -3.337 5.637 -8.828 324 HH11 ARG 40 HH11 ARG 40 -3.994 6.578 -5.576 325 HH12 ARG 40 HH12 ARG 40 -3.833 8.273 -5.893 326 HH21 ARG 40 HH21 ARG 40 -3.125 7.845 -9.262 327 HH22 ARG 40 HH22 ARG 40 -3.340 8.991 -7.979 328 H LEU 41 H LEU 41 -1.787 1.167 -3.527 329 HA LEU 41 HA LEU 41 -0.067 0.412 -5.678 330 HB2 LEU 41 HB2 LEU 41 -0.449 -0.855 -2.955 331 HB3 LEU 41 HB3 LEU 41 0.858 -1.266 -4.059 332 HG LEU 41 HG LEU 41 0.351 1.548 -3.037 333 HD11 LEU 41 HD11 LEU 41 2.150 1.171 -1.444 334 HD12 LEU 41 HD12 LEU 41 2.409 -0.458 -2.066 335 HD13 LEU 41 HD13 LEU 41 0.924 -0.070 -1.204 336 HD21 LEU 41 HD21 LEU 41 1.680 1.712 -5.001 337 HD22 LEU 41 HD22 LEU 41 2.560 0.229 -4.642 338 HD23 LEU 41 HD23 LEU 41 2.869 1.692 -3.711 339 H MET 42 H MET 42 -2.826 -1.297 -4.197 340 HA MET 42 HA MET 42 -2.407 -3.751 -5.603 341 HB2 MET 42 HB2 MET 42 -4.961 -2.503 -4.551 342 HB3 MET 42 HB3 MET 42 -4.804 -4.177 -5.083 343 HG2 MET 42 HG2 MET 42 -3.055 -2.983 -2.919 344 HG3 MET 42 HG3 MET 42 -4.582 -3.792 -2.571 345 HE1 MET 42 HE1 MET 42 -2.758 -4.879 -1.017 346 HE2 MET 42 HE2 MET 42 -2.341 -6.558 -1.387 347 HE3 MET 42 HE3 MET 42 -4.029 -6.051 -1.357 348 H MET 43 H MET 43 -4.327 -0.866 -6.392 349 HA MET 43 HA MET 43 -5.534 -1.854 -8.757 350 HB2 MET 43 HB2 MET 43 -4.660 0.964 -8.055 351 HB3 MET 43 HB3 MET 43 -5.702 0.556 -9.420 352 HG2 MET 43 HG2 MET 43 -7.394 -0.344 -7.942 353 HG3 MET 43 HG3 MET 43 -6.330 -0.169 -6.546 354 HE1 MET 43 HE1 MET 43 -9.304 2.437 -6.224 355 HE2 MET 43 HE2 MET 43 -8.562 0.984 -5.541 356 HE3 MET 43 HE3 MET 43 -9.358 0.916 -7.111 357 H LYS 44 H LYS 44 -2.325 -0.574 -8.153 358 HA LYS 44 HA LYS 44 -1.615 -0.864 -11.056 359 HB2 LYS 44 HB2 LYS 44 -0.407 0.667 -8.749 360 HB3 LYS 44 HB3 LYS 44 0.495 0.393 -10.236 361 HG2 LYS 44 HG2 LYS 44 -2.298 1.548 -10.381 362 HG3 LYS 44 HG3 LYS 44 -0.948 2.597 -9.963 363 HD2 LYS 44 HD2 LYS 44 0.221 1.871 -12.052 364 HD3 LYS 44 HD3 LYS 44 -1.207 0.935 -12.490 365 HE2 LYS 44 HE2 LYS 44 -2.568 2.922 -12.591 366 HE3 LYS 44 HE3 LYS 44 -1.269 3.907 -11.918 367 HZ1 LYS 44 HZ1 LYS 44 -0.243 2.577 -14.135 368 HZ2 LYS 44 HZ2 LYS 44 -0.540 4.239 -13.965 369 HZ3 LYS 44 HZ3 LYS 44 -1.743 3.223 -14.605 370 H ALA 45 H ALA 45 -1.924 -3.175 -9.283 371 HA ALA 45 HA ALA 45 0.669 -4.050 -8.386 372 HB1 ALA 45 HB1 ALA 45 -0.414 -6.279 -8.204 373 HB2 ALA 45 HB2 ALA 45 -1.829 -5.637 -9.039 374 HB3 ALA 45 HB3 ALA 45 -1.381 -5.010 -7.452 375 H GLY 46 H GLY 46 2.255 -4.125 -9.955 376 HA2 GLY 46 HA2 GLY 46 2.908 -6.097 -11.606 377 HA3 GLY 46 HA3 GLY 46 1.644 -5.366 -12.599 378 H SER 47 H SER 47 2.567 -2.721 -11.251 379 HA SER 47 HA SER 47 5.060 -2.260 -12.860 380 HB2 SER 47 HB2 SER 47 3.626 -1.191 -14.336 381 HB3 SER 47 HB3 SER 47 2.379 -0.981 -13.113 382 HG SER 47 HG SER 47 3.108 0.958 -12.841 383 HA PRO 48 HA PRO 48 6.385 -0.191 -9.175 384 HB2 PRO 48 HB2 PRO 48 8.094 1.717 -10.139 385 HB3 PRO 48 HB3 PRO 48 8.481 -0.017 -10.182 386 HG2 PRO 48 HG2 PRO 48 7.377 1.719 -12.364 387 HG3 PRO 48 HG3 PRO 48 8.688 0.524 -12.439 388 HD2 PRO 48 HD2 PRO 48 6.169 -0.072 -13.276 389 HD3 PRO 48 HD3 PRO 48 7.210 -1.292 -12.509 390 H VAL 49 H VAL 49 5.082 1.124 -7.977 391 HA VAL 49 HA VAL 49 3.697 3.394 -9.257 392 HB VAL 49 HB VAL 49 3.496 2.268 -6.453 393 HG11 VAL 49 HG11 VAL 49 1.312 3.580 -6.505 394 HG12 VAL 49 HG12 VAL 49 1.920 4.377 -7.956 395 HG13 VAL 49 HG13 VAL 49 2.775 4.560 -6.424 396 HG21 VAL 49 HG21 VAL 49 2.741 0.664 -8.125 397 HG22 VAL 49 HG22 VAL 49 1.788 1.909 -8.934 398 HG23 VAL 49 HG23 VAL 49 1.335 1.360 -7.321 399 H HIS 50 H HIS 50 4.189 5.528 -8.836 400 HA HIS 50 HA HIS 50 6.713 6.121 -7.541 401 HB2 HIS 50 HB2 HIS 50 5.666 7.428 -9.461 402 HB3 HIS 50 HB3 HIS 50 4.536 8.092 -8.286 403 HD1 HIS 50 HD1 HIS 50 5.867 10.362 -9.185 404 HD2 HIS 50 HD2 HIS 50 7.954 7.835 -6.599 405 HE1 HIS 50 HE1 HIS 50 7.778 11.722 -8.232 406 HE2 HIS 50 HE2 HIS 50 9.049 10.195 -6.659 407 H ARG 51 H ARG 51 6.980 6.382 -5.381 408 HA ARG 51 HA ARG 51 4.973 6.072 -3.444 409 HB2 ARG 51 HB2 ARG 51 6.613 7.220 -1.878 410 HB3 ARG 51 HB3 ARG 51 7.271 5.851 -2.773 411 HG2 ARG 51 HG2 ARG 51 8.377 7.293 -4.339 412 HG3 ARG 51 HG3 ARG 51 7.531 8.714 -3.726 413 HD2 ARG 51 HD2 ARG 51 8.701 8.584 -1.617 414 HD3 ARG 51 HD3 ARG 51 9.412 7.029 -2.052 415 HE ARG 51 HE ARG 51 10.250 8.775 -4.056 416 HH11 ARG 51 HH11 ARG 51 10.373 8.603 -0.614 417 HH12 ARG 51 HH12 ARG 51 11.875 9.456 -0.493 418 HH21 ARG 51 HH21 ARG 51 12.210 9.890 -3.917 419 HH22 ARG 51 HH22 ARG 51 12.916 10.186 -2.362 420 H GLU 52 H GLU 52 5.634 8.731 -5.453 421 HA GLU 52 HA GLU 52 4.678 10.846 -3.747 422 HB2 GLU 52 HB2 GLU 52 6.048 11.108 -5.875 423 HB3 GLU 52 HB3 GLU 52 4.566 10.781 -6.773 424 HG2 GLU 52 HG2 GLU 52 3.486 12.673 -5.479 425 HG3 GLU 52 HG3 GLU 52 5.090 13.069 -4.861 426 H ILE 53 H ILE 53 3.077 8.908 -6.325 427 HA ILE 53 HA ILE 53 0.537 10.147 -6.139 428 HB ILE 53 HB ILE 53 1.164 7.247 -6.769 429 HG12 ILE 53 HG12 ILE 53 0.782 9.574 -8.676 430 HG13 ILE 53 HG13 ILE 53 2.368 9.026 -8.138 431 HG21 ILE 53 HG21 ILE 53 -0.969 7.434 -8.093 432 HG22 ILE 53 HG22 ILE 53 -1.239 9.007 -7.341 433 HG23 ILE 53 HG23 ILE 53 -1.207 7.549 -6.350 434 HD11 ILE 53 HD11 ILE 53 0.324 7.244 -9.490 435 HD12 ILE 53 HD12 ILE 53 1.984 6.817 -9.074 436 HD13 ILE 53 HD13 ILE 53 1.670 8.020 -10.324 437 H LEU 54 H LEU 54 2.057 7.739 -4.089 438 HA LEU 54 HA LEU 54 -0.354 6.927 -2.703 439 HB2 LEU 54 HB2 LEU 54 2.433 6.987 -1.506 440 HB3 LEU 54 HB3 LEU 54 1.109 5.887 -1.127 441 HG LEU 54 HG LEU 54 2.628 6.013 -3.745 442 HD11 LEU 54 HD11 LEU 54 2.468 3.769 -1.717 443 HD12 LEU 54 HD12 LEU 54 3.767 4.963 -1.728 444 HD13 LEU 54 HD13 LEU 54 3.546 3.887 -3.108 445 HD21 LEU 54 HD21 LEU 54 0.208 4.427 -2.849 446 HD22 LEU 54 HD22 LEU 54 1.253 3.865 -4.153 447 HD23 LEU 54 HD23 LEU 54 0.401 5.395 -4.311 448 H TYR 55 H TYR 55 2.201 9.258 -2.012 449 HA TYR 55 HA TYR 55 1.161 10.332 0.399 450 HB2 TYR 55 HB2 TYR 55 3.404 10.875 -0.724 451 HB3 TYR 55 HB3 TYR 55 2.513 12.014 -1.731 452 HD1 TYR 55 HD1 TYR 55 2.902 11.052 1.877 453 HD2 TYR 55 HD2 TYR 55 2.285 14.234 -0.948 454 HE1 TYR 55 HE1 TYR 55 3.000 12.709 3.719 455 HE2 TYR 55 HE2 TYR 55 2.384 15.887 0.898 456 HH TYR 55 HH TYR 55 3.094 16.149 3.094 457 H ASN 56 H ASN 56 0.324 11.006 -2.953 458 HA ASN 56 HA ASN 56 -1.379 13.250 -2.448 459 HB2 ASN 56 HB2 ASN 56 -1.323 11.251 -4.725 460 HB3 ASN 56 HB3 ASN 56 -2.317 12.708 -4.720 461 HD21 ASN 56 HD21 ASN 56 0.986 11.504 -5.030 462 HD22 ASN 56 HD22 ASN 56 1.686 12.994 -5.444 463 H ASP 57 H ASP 57 -1.825 9.855 -2.052 464 HA ASP 57 HA ASP 57 -4.616 9.583 -2.357 465 HB2 ASP 57 HB2 ASP 57 -2.806 8.291 -0.310 466 HB3 ASP 57 HB3 ASP 57 -4.483 7.827 -0.560 467 H ILE 58 H ILE 58 -2.856 10.540 0.596 468 HA ILE 58 HA ILE 58 -5.424 11.609 1.719 469 HB ILE 58 HB ILE 58 -2.832 11.116 3.198 470 HG12 ILE 58 HG12 ILE 58 -5.200 9.261 2.778 471 HG13 ILE 58 HG13 ILE 58 -3.563 9.006 2.178 472 HG21 ILE 58 HG21 ILE 58 -4.210 11.218 5.165 473 HG22 ILE 58 HG22 ILE 58 -5.690 11.191 4.206 474 HG23 ILE 58 HG23 ILE 58 -4.647 12.612 4.180 475 HD11 ILE 58 HD11 ILE 58 -2.788 9.108 4.601 476 HD12 ILE 58 HD12 ILE 58 -3.749 7.695 4.165 477 HD13 ILE 58 HD13 ILE 58 -4.490 9.024 5.055 478 H TYR 59 H TYR 59 -2.073 12.531 0.968 479 HA TYR 59 HA TYR 59 -2.607 15.303 1.944 480 HB2 TYR 59 HB2 TYR 59 -0.070 13.984 0.939 481 HB3 TYR 59 HB3 TYR 59 -0.186 15.656 1.476 482 HD1 TYR 59 HD1 TYR 59 -0.593 16.208 3.831 483 HD2 TYR 59 HD2 TYR 59 -0.227 12.132 2.526 484 HE1 TYR 59 HE1 TYR 59 -0.320 15.478 6.185 485 HE2 TYR 59 HE2 TYR 59 0.045 11.402 4.881 486 HH TYR 59 HH TYR 59 0.609 13.615 7.435 487 H SER 60 H SER 60 -4.027 16.039 0.298 488 HA SER 60 HA SER 60 -3.315 15.843 -2.517 489 HB2 SER 60 HB2 SER 60 -5.274 17.735 -1.181 490 HB3 SER 60 HB3 SER 60 -5.218 17.318 -2.891 491 HG SER 60 HG SER 60 -6.045 15.804 -0.681 492 H TRP 61 H TRP 61 -1.050 16.741 -1.487 493 HA TRP 61 HA TRP 61 0.540 18.448 -1.623 494 HB2 TRP 61 HB2 TRP 61 -1.453 20.030 -3.261 495 HB3 TRP 61 HB3 TRP 61 0.306 20.042 -3.362 496 HD1 TRP 61 HD1 TRP 61 1.400 17.548 -4.091 497 HE1 TRP 61 HE1 TRP 61 0.562 15.961 -5.943 498 HE3 TRP 61 HE3 TRP 61 -3.395 19.232 -4.597 499 HZ2 TRP 61 HZ2 TRP 61 -1.825 15.469 -7.439 500 HZ3 TRP 61 HZ3 TRP 61 -4.927 18.189 -6.242 501 HH2 TRP 61 HH2 TRP 61 -4.149 16.311 -7.663 502 H ASP 62 H ASP 62 -0.964 18.445 0.688 503 HA ASP 62 HA ASP 62 -2.081 21.102 1.199 504 HB2 ASP 62 HB2 ASP 62 -2.964 19.151 2.394 505 HB3 ASP 62 HB3 ASP 62 -1.372 18.827 3.080 506 H ASN 63 H ASN 63 0.027 19.854 3.644 507 HA ASN 63 HA ASN 63 1.584 22.318 3.634 508 HB2 ASN 63 HB2 ASN 63 2.028 19.766 5.215 509 HB3 ASN 63 HB3 ASN 63 2.730 21.347 5.564 510 HD21 ASN 63 HD21 ASN 63 1.253 20.304 7.619 511 HD22 ASN 63 HD22 ASN 63 -0.260 21.064 7.737 512 H GLU 64 H GLU 64 2.184 18.929 2.779 513 HA GLU 64 HA GLU 64 3.969 17.940 1.617 514 HB2 GLU 64 HB2 GLU 64 3.033 19.549 -0.102 515 HB3 GLU 64 HB3 GLU 64 4.280 20.693 0.394 516 HG2 GLU 64 HG2 GLU 64 6.028 19.056 -0.176 517 HG3 GLU 64 HG3 GLU 64 4.790 17.892 -0.651 518 HA PRO 65 HA PRO 65 6.818 19.903 4.854 519 HB2 PRO 65 HB2 PRO 65 7.479 16.959 4.812 520 HB3 PRO 65 HB3 PRO 65 7.432 18.077 6.195 521 HG2 PRO 65 HG2 PRO 65 5.426 16.403 5.781 522 HG3 PRO 65 HG3 PRO 65 5.105 18.076 6.280 523 HD2 PRO 65 HD2 PRO 65 4.751 16.822 3.574 524 HD3 PRO 65 HD3 PRO 65 3.809 18.118 4.344 525 H ALA 66 H ALA 66 9.227 19.924 4.796 526 HA ALA 66 HA ALA 66 10.218 19.959 2.059 527 HB1 ALA 66 HB1 ALA 66 11.655 20.335 4.704 528 HB2 ALA 66 HB2 ALA 66 10.999 21.619 3.687 529 HB3 ALA 66 HB3 ALA 66 12.359 20.650 3.118 530 H THR 67 H THR 67 11.095 18.068 4.974 531 HA THR 67 HA THR 67 11.405 15.618 3.521 532 HB THR 67 HB THR 67 13.369 16.482 2.502 533 HG1 THR 67 HG1 THR 67 13.655 14.470 3.624 534 HG21 THR 67 HG21 THR 67 15.146 17.613 3.906 535 HG22 THR 67 HG22 THR 67 13.979 17.647 5.228 536 HG23 THR 67 HG23 THR 67 13.647 18.526 3.735 537 H ASN 68 H ASN 68 12.748 14.005 4.974 538 HA ASN 68 HA ASN 68 12.794 12.917 7.057 539 HB2 ASN 68 HB2 ASN 68 14.556 14.683 7.369 540 HB3 ASN 68 HB3 ASN 68 13.323 15.719 8.087 541 HD21 ASN 68 HD21 ASN 68 12.890 15.420 10.297 542 HD22 ASN 68 HD22 ASN 68 13.480 14.123 11.219 543 H THR 69 H THR 69 10.273 13.008 6.468 544 HA THR 69 HA THR 69 8.906 13.499 8.980 545 HB THR 69 HB THR 69 8.149 15.211 6.594 546 HG1 THR 69 HG1 THR 69 9.576 16.475 7.448 547 HG21 THR 69 HG21 THR 69 6.171 14.584 7.808 548 HG22 THR 69 HG22 THR 69 6.577 16.230 8.296 549 HG23 THR 69 HG23 THR 69 6.963 14.875 9.357 550 H LEU 70 H LEU 70 7.643 13.680 5.666 551 HA LEU 70 HA LEU 70 5.662 11.660 6.172 552 HB2 LEU 70 HB2 LEU 70 5.193 11.800 3.766 553 HB3 LEU 70 HB3 LEU 70 5.367 13.405 4.466 554 HG LEU 70 HG LEU 70 7.986 12.887 3.703 555 HD11 LEU 70 HD11 LEU 70 7.390 10.794 2.555 556 HD12 LEU 70 HD12 LEU 70 7.881 12.012 1.382 557 HD13 LEU 70 HD13 LEU 70 6.171 11.645 1.607 558 HD21 LEU 70 HD21 LEU 70 6.715 14.953 3.235 559 HD22 LEU 70 HD22 LEU 70 5.815 14.115 1.970 560 HD23 LEU 70 HD23 LEU 70 7.549 14.382 1.791 561 H GLU 71 H GLU 71 8.871 11.577 4.633 562 HA GLU 71 HA GLU 71 8.718 8.926 3.622 563 HB2 GLU 71 HB2 GLU 71 11.099 10.499 4.645 564 HB3 GLU 71 HB3 GLU 71 11.218 8.984 3.750 565 HG2 GLU 71 HG2 GLU 71 10.103 9.978 1.825 566 HG3 GLU 71 HG3 GLU 71 9.830 11.475 2.720 567 H VAL 72 H VAL 72 9.412 10.143 6.860 568 HA VAL 72 HA VAL 72 10.356 7.616 7.890 569 HB VAL 72 HB VAL 72 9.055 9.846 9.455 570 HG11 VAL 72 HG11 VAL 72 10.547 9.030 11.252 571 HG12 VAL 72 HG12 VAL 72 11.154 7.776 10.170 572 HG13 VAL 72 HG13 VAL 72 9.468 7.753 10.688 573 HG21 VAL 72 HG21 VAL 72 11.398 10.719 9.706 574 HG22 VAL 72 HG22 VAL 72 10.783 10.835 8.057 575 HG23 VAL 72 HG23 VAL 72 11.914 9.553 8.487 576 H HIS 73 H HIS 73 7.196 9.210 7.779 577 HA HIS 73 HA HIS 73 5.743 7.358 9.372 578 HB2 HIS 73 HB2 HIS 73 4.904 8.944 6.923 579 HB3 HIS 73 HB3 HIS 73 3.775 8.013 7.908 580 HD1 HIS 73 HD1 HIS 73 6.586 10.473 8.754 581 HD2 HIS 73 HD2 HIS 73 2.591 9.732 9.704 582 HE1 HIS 73 HE1 HIS 73 5.915 12.226 10.459 583 HE2 HIS 73 HE2 HIS 73 3.487 11.784 11.043 584 H ILE 74 H ILE 74 6.755 7.297 6.013 585 HA ILE 74 HA ILE 74 5.396 4.868 5.297 586 HB ILE 74 HB ILE 74 7.940 6.036 4.126 587 HG12 ILE 74 HG12 ILE 74 5.042 6.329 3.260 588 HG13 ILE 74 HG13 ILE 74 5.959 7.567 4.113 589 HG21 ILE 74 HG21 ILE 74 7.633 3.688 3.491 590 HG22 ILE 74 HG22 ILE 74 7.251 4.710 2.112 591 HG23 ILE 74 HG23 ILE 74 5.951 3.998 3.066 592 HD11 ILE 74 HD11 ILE 74 6.399 6.505 1.322 593 HD12 ILE 74 HD12 ILE 74 7.667 7.377 2.183 594 HD13 ILE 74 HD13 ILE 74 6.134 8.172 1.828 595 H HIS 75 H HIS 75 8.604 5.570 6.647 596 HA HIS 75 HA HIS 75 9.629 2.918 6.518 597 HB2 HIS 75 HB2 HIS 75 10.933 4.975 7.177 598 HB3 HIS 75 HB3 HIS 75 10.124 4.918 8.744 599 HD1 HIS 75 HD1 HIS 75 12.744 3.210 6.694 600 HD2 HIS 75 HD2 HIS 75 10.896 2.697 10.400 601 HE1 HIS 75 HE1 HIS 75 14.120 1.493 7.952 602 HE2 HIS 75 HE2 HIS 75 13.004 1.174 10.207 603 H ASN 76 H ASN 76 7.472 4.482 8.826 604 HA ASN 76 HA ASN 76 7.441 2.211 10.661 605 HB2 ASN 76 HB2 ASN 76 5.604 4.607 10.364 606 HB3 ASN 76 HB3 ASN 76 5.477 3.416 11.660 607 HD21 ASN 76 HD21 ASN 76 5.945 5.795 12.729 608 HD22 ASN 76 HD22 ASN 76 7.579 6.051 13.113 609 H LEU 77 H LEU 77 5.372 3.418 8.049 610 HA LEU 77 HA LEU 77 3.317 1.435 8.390 611 HB2 LEU 77 HB2 LEU 77 2.335 2.882 6.916 612 HB3 LEU 77 HB3 LEU 77 3.871 3.687 6.672 613 HG LEU 77 HG LEU 77 4.430 2.031 4.896 614 HD11 LEU 77 HD11 LEU 77 1.738 1.031 4.390 615 HD12 LEU 77 HD12 LEU 77 2.252 0.547 6.001 616 HD13 LEU 77 HD13 LEU 77 3.236 0.133 4.603 617 HD21 LEU 77 HD21 LEU 77 3.018 3.022 3.218 618 HD22 LEU 77 HD22 LEU 77 3.274 4.244 4.464 619 HD23 LEU 77 HD23 LEU 77 1.753 3.358 4.397 620 H ARG 78 H ARG 78 6.214 1.596 6.332 621 HA ARG 78 HA ARG 78 5.906 -0.737 4.833 622 HB2 ARG 78 HB2 ARG 78 7.806 0.899 4.665 623 HB3 ARG 78 HB3 ARG 78 8.500 0.162 6.110 624 HG2 ARG 78 HG2 ARG 78 8.610 -2.012 4.976 625 HG3 ARG 78 HG3 ARG 78 7.863 -1.315 3.538 626 HD2 ARG 78 HD2 ARG 78 10.286 -1.410 3.230 627 HD3 ARG 78 HD3 ARG 78 9.774 0.273 3.353 628 HE ARG 78 HE ARG 78 10.446 -0.583 5.964 629 HH11 ARG 78 HH11 ARG 78 11.880 -0.122 2.862 630 HH12 ARG 78 HH12 ARG 78 13.448 0.253 3.495 631 HH21 ARG 78 HH21 ARG 78 12.485 -0.095 6.808 632 HH22 ARG 78 HH22 ARG 78 13.791 0.268 5.728 633 H GLU 79 H GLU 79 7.399 -0.483 8.078 634 HA GLU 79 HA GLU 79 7.912 -3.268 8.379 635 HB2 GLU 79 HB2 GLU 79 7.328 -1.181 10.499 636 HB3 GLU 79 HB3 GLU 79 8.028 -2.771 10.808 637 HG2 GLU 79 HG2 GLU 79 9.258 -0.757 8.910 638 HG3 GLU 79 HG3 GLU 79 9.719 -0.895 10.606 639 H LYS 80 H LYS 80 4.952 -1.429 8.826 640 HA LYS 80 HA LYS 80 3.604 -3.462 10.374 641 HB2 LYS 80 HB2 LYS 80 2.605 -1.077 8.805 642 HB3 LYS 80 HB3 LYS 80 1.536 -2.135 9.728 643 HG2 LYS 80 HG2 LYS 80 2.826 -1.662 11.776 644 HG3 LYS 80 HG3 LYS 80 3.901 -0.607 10.858 645 HD2 LYS 80 HD2 LYS 80 2.061 0.894 10.334 646 HD3 LYS 80 HD3 LYS 80 0.907 -0.198 11.101 647 HE2 LYS 80 HE2 LYS 80 3.229 1.105 12.550 648 HE3 LYS 80 HE3 LYS 80 1.580 1.731 12.562 649 HZ1 LYS 80 HZ1 LYS 80 2.658 -0.238 14.194 650 HZ2 LYS 80 HZ2 LYS 80 1.557 -1.021 13.168 651 HZ3 LYS 80 HZ3 LYS 80 1.042 0.284 14.127 652 H ILE 81 H ILE 81 3.538 -2.597 6.900 653 HA ILE 81 HA ILE 81 1.616 -4.671 6.270 654 HB ILE 81 HB ILE 81 2.325 -4.186 3.883 655 HG12 ILE 81 HG12 ILE 81 3.982 -2.029 5.210 656 HG13 ILE 81 HG13 ILE 81 4.670 -3.513 4.556 657 HG21 ILE 81 HG21 ILE 81 0.473 -2.983 5.025 658 HG22 ILE 81 HG22 ILE 81 1.323 -1.946 3.879 659 HG23 ILE 81 HG23 ILE 81 1.631 -1.788 5.609 660 HD11 ILE 81 HD11 ILE 81 4.773 -1.602 2.942 661 HD12 ILE 81 HD12 ILE 81 3.011 -1.547 2.947 662 HD13 ILE 81 HD13 ILE 81 3.846 -2.970 2.330 663 H GLY 82 H GLY 82 5.061 -4.621 6.673 664 HA2 GLY 82 HA2 GLY 82 6.499 -6.504 6.761 665 HA3 GLY 82 HA3 GLY 82 5.166 -7.520 6.208 666 H LYS 83 H LYS 83 7.612 -5.224 5.160 667 HA LYS 83 HA LYS 83 7.221 -5.061 2.427 668 HB2 LYS 83 HB2 LYS 83 9.739 -4.988 2.230 669 HB3 LYS 83 HB3 LYS 83 9.069 -3.901 3.447 670 HG2 LYS 83 HG2 LYS 83 9.583 -5.505 5.217 671 HG3 LYS 83 HG3 LYS 83 10.166 -6.668 4.026 672 HD2 LYS 83 HD2 LYS 83 11.957 -5.137 3.362 673 HD3 LYS 83 HD3 LYS 83 11.355 -3.916 4.483 674 HE2 LYS 83 HE2 LYS 83 13.301 -5.290 5.352 675 HE3 LYS 83 HE3 LYS 83 11.873 -5.289 6.387 676 HZ1 LYS 83 HZ1 LYS 83 12.298 -7.376 4.339 677 HZ2 LYS 83 HZ2 LYS 83 11.279 -7.417 5.694 678 HZ3 LYS 83 HZ3 LYS 83 12.964 -7.515 5.895 679 H SER 84 H SER 84 7.855 -7.933 4.201 680 HA SER 84 HA SER 84 9.241 -9.535 2.352 681 HB2 SER 84 HB2 SER 84 8.089 -11.453 3.411 682 HB3 SER 84 HB3 SER 84 8.660 -10.301 4.616 683 HG SER 84 HG SER 84 6.594 -9.526 4.828 684 H ARG 85 H ARG 85 5.702 -9.042 2.607 685 HA ARG 85 HA ARG 85 5.224 -10.552 0.145 686 HB2 ARG 85 HB2 ARG 85 3.454 -8.885 1.943 687 HB3 ARG 85 HB3 ARG 85 2.852 -9.637 0.468 688 HG2 ARG 85 HG2 ARG 85 4.222 -11.153 2.716 689 HG3 ARG 85 HG3 ARG 85 2.477 -11.012 2.547 690 HD2 ARG 85 HD2 ARG 85 2.992 -11.941 0.082 691 HD3 ARG 85 HD3 ARG 85 4.407 -12.607 0.897 692 HE ARG 85 HE ARG 85 1.689 -13.531 1.213 693 HH11 ARG 85 HH11 ARG 85 4.702 -12.986 2.800 694 HH12 ARG 85 HH12 ARG 85 4.454 -14.226 3.983 695 HH21 ARG 85 HH21 ARG 85 1.350 -15.154 2.749 696 HH22 ARG 85 HH22 ARG 85 2.557 -15.454 3.953 697 H ILE 86 H ILE 86 6.739 -7.744 0.380 698 HA ILE 86 HA ILE 86 5.562 -6.701 -2.165 699 HB ILE 86 HB ILE 86 6.231 -5.019 0.280 700 HG12 ILE 86 HG12 ILE 86 3.710 -4.335 -0.222 701 HG13 ILE 86 HG13 ILE 86 3.645 -5.892 -1.036 702 HG21 ILE 86 HG21 ILE 86 6.919 -3.742 -1.597 703 HG22 ILE 86 HG22 ILE 86 5.287 -3.171 -1.254 704 HG23 ILE 86 HG23 ILE 86 5.563 -4.298 -2.582 705 HD11 ILE 86 HD11 ILE 86 4.835 -6.521 1.416 706 HD12 ILE 86 HD12 ILE 86 3.136 -6.734 1.004 707 HD13 ILE 86 HD13 ILE 86 3.666 -5.275 1.831 708 H ARG 87 H ARG 87 7.114 -5.228 -3.284 709 HA ARG 87 HA ARG 87 9.979 -5.645 -2.498 710 HB2 ARG 87 HB2 ARG 87 9.261 -7.365 -4.200 711 HB3 ARG 87 HB3 ARG 87 8.921 -6.038 -5.312 712 HG2 ARG 87 HG2 ARG 87 11.260 -5.286 -5.151 713 HG3 ARG 87 HG3 ARG 87 11.609 -6.594 -4.019 714 HD2 ARG 87 HD2 ARG 87 11.128 -8.265 -5.706 715 HD3 ARG 87 HD3 ARG 87 10.562 -7.029 -6.830 716 HE ARG 87 HE ARG 87 13.258 -6.441 -6.067 717 HH11 ARG 87 HH11 ARG 87 11.326 -8.664 -7.861 718 HH12 ARG 87 HH12 ARG 87 12.578 -9.041 -8.996 719 HH21 ARG 87 HH21 ARG 87 14.904 -6.922 -7.540 720 HH22 ARG 87 HH22 ARG 87 14.603 -8.055 -8.815 721 H THR 88 H THR 88 11.065 -3.755 -2.584 722 HA THR 88 HA THR 88 9.799 -1.411 -3.908 723 HB THR 88 HB THR 88 11.141 -0.076 -2.520 724 HG1 THR 88 HG1 THR 88 12.955 -1.647 -1.482 725 HG21 THR 88 HG21 THR 88 11.054 -2.622 -0.892 726 HG22 THR 88 HG22 THR 88 9.614 -1.662 -1.230 727 HG23 THR 88 HG23 THR 88 10.945 -0.961 -0.310 728 H VAL 89 H VAL 89 10.764 -0.331 -5.630 729 HA VAL 89 HA VAL 89 12.988 -1.778 -7.016 730 HB VAL 89 HB VAL 89 11.139 0.378 -8.075 731 HG11 VAL 89 HG11 VAL 89 13.057 -1.565 -9.396 732 HG12 VAL 89 HG12 VAL 89 13.209 0.191 -9.340 733 HG13 VAL 89 HG13 VAL 89 11.909 -0.553 -10.272 734 HG21 VAL 89 HG21 VAL 89 9.800 -1.548 -7.486 735 HG22 VAL 89 HG22 VAL 89 10.983 -2.649 -8.192 736 HG23 VAL 89 HG23 VAL 89 10.039 -1.584 -9.233 737 H ARG 90 H ARG 90 14.971 -0.950 -6.652 738 HA ARG 90 HA ARG 90 16.673 0.598 -6.174 739 HB2 ARG 90 HB2 ARG 90 14.919 2.138 -8.103 740 HB3 ARG 90 HB3 ARG 90 16.520 2.681 -7.596 741 HG2 ARG 90 HG2 ARG 90 17.502 0.581 -8.445 742 HG3 ARG 90 HG3 ARG 90 15.903 0.043 -8.961 743 HD2 ARG 90 HD2 ARG 90 17.064 0.998 -10.876 744 HD3 ARG 90 HD3 ARG 90 15.741 2.070 -10.417 745 HE ARG 90 HE ARG 90 17.348 3.710 -9.886 746 HH11 ARG 90 HH11 ARG 90 18.719 0.547 -9.983 747 HH12 ARG 90 HH12 ARG 90 20.345 1.101 -9.762 748 HH21 ARG 90 HH21 ARG 90 19.462 4.450 -9.597 749 HH22 ARG 90 HH22 ARG 90 20.766 3.311 -9.543 750 H GLY 91 H GLY 91 14.309 0.631 -4.348 751 HA2 GLY 91 HA2 GLY 91 13.416 1.983 -2.640 752 HA3 GLY 91 HA3 GLY 91 15.008 2.743 -2.649 753 H PHE 92 H PHE 92 12.200 2.731 -4.866 754 HA PHE 92 HA PHE 92 12.101 5.694 -4.724 755 HB2 PHE 92 HB2 PHE 92 13.365 5.409 -6.716 756 HB3 PHE 92 HB3 PHE 92 12.440 3.990 -7.198 757 HD1 PHE 92 HD1 PHE 92 12.367 7.689 -6.895 758 HD2 PHE 92 HD2 PHE 92 10.325 4.199 -8.351 759 HE1 PHE 92 HE1 PHE 92 10.824 9.131 -8.198 760 HE2 PHE 92 HE2 PHE 92 8.783 5.640 -9.647 761 HZ PHE 92 HZ PHE 92 9.028 8.105 -9.571 762 H GLY 93 H GLY 93 10.485 3.086 -6.569 763 HA2 GLY 93 HA2 GLY 93 7.847 4.164 -5.636 764 HA3 GLY 93 HA3 GLY 93 8.108 3.232 -7.110 765 H TYR 94 H TYR 94 6.517 1.691 -6.449 766 HA TYR 94 HA TYR 94 7.614 -0.413 -4.685 767 HB2 TYR 94 HB2 TYR 94 5.156 1.224 -4.069 768 HB3 TYR 94 HB3 TYR 94 5.177 -0.478 -3.607 769 HD1 TYR 94 HD1 TYR 94 6.830 2.807 -3.137 770 HD2 TYR 94 HD2 TYR 94 6.591 -1.274 -1.823 771 HE1 TYR 94 HE1 TYR 94 8.195 3.366 -1.148 772 HE2 TYR 94 HE2 TYR 94 7.953 -0.716 0.168 773 HH TYR 94 HH TYR 94 8.325 1.826 1.485 774 H MET 95 H MET 95 6.456 -2.443 -4.985 775 HA MET 95 HA MET 95 4.411 -2.595 -7.099 776 HB2 MET 95 HB2 MET 95 6.434 -2.430 -8.457 777 HB3 MET 95 HB3 MET 95 7.201 -3.711 -7.526 778 HG2 MET 95 HG2 MET 95 4.563 -4.259 -8.884 779 HG3 MET 95 HG3 MET 95 6.050 -4.291 -9.829 780 HE1 MET 95 HE1 MET 95 6.579 -6.703 -10.446 781 HE2 MET 95 HE2 MET 95 4.826 -6.646 -10.214 782 HE3 MET 95 HE3 MET 95 5.756 -8.004 -9.586 783 H LEU 96 H LEU 96 3.062 -4.160 -6.431 784 HA LEU 96 HA LEU 96 3.921 -6.104 -4.392 785 HB2 LEU 96 HB2 LEU 96 1.299 -5.430 -5.738 786 HB3 LEU 96 HB3 LEU 96 1.451 -6.903 -4.781 787 HG LEU 96 HG LEU 96 2.104 -5.614 -2.819 788 HD11 LEU 96 HD11 LEU 96 1.989 -3.275 -4.738 789 HD12 LEU 96 HD12 LEU 96 3.358 -3.807 -3.761 790 HD13 LEU 96 HD13 LEU 96 1.958 -3.071 -2.986 791 HD21 LEU 96 HD21 LEU 96 -0.277 -5.895 -3.107 792 HD22 LEU 96 HD22 LEU 96 -0.347 -4.560 -4.258 793 HD23 LEU 96 HD23 LEU 96 -0.004 -4.241 -2.557 794 H ALA 97 H ALA 97 4.289 -8.283 -4.758 795 HA ALA 97 HA ALA 97 5.118 -9.175 -7.308 796 HB1 ALA 97 HB1 ALA 97 4.143 -10.761 -4.916 797 HB2 ALA 97 HB2 ALA 97 5.814 -10.354 -5.306 798 HB3 ALA 97 HB3 ALA 97 4.920 -11.482 -6.326 799 H ASN 98 H ASN 98 3.825 -9.332 -9.078 800 HA ASN 98 HA ASN 98 0.957 -9.596 -8.918 801 HB2 ASN 98 HB2 ASN 98 2.171 -8.530 -10.832 802 HB3 ASN 98 HB3 ASN 98 2.764 -10.126 -11.296 803 HD21 ASN 98 HD21 ASN 98 -0.144 -8.101 -11.104 804 HD22 ASN 98 HD22 ASN 98 -1.120 -9.110 -12.055 805 H ASN 99 H ASN 99 1.293 -11.587 -7.390 806 HA ASN 99 HA ASN 99 1.130 -13.908 -7.063 807 HB2 ASN 99 HB2 ASN 99 -0.929 -13.490 -8.388 808 HB3 ASN 99 HB3 ASN 99 -0.014 -13.771 -9.869 809 HD21 ASN 99 HD21 ASN 99 -0.054 -15.518 -6.707 810 HD22 ASN 99 HD22 ASN 99 -0.384 -17.037 -7.388 811 H ILE 100 H ILE 100 3.689 -13.116 -7.873 812 HA ILE 100 HA ILE 100 4.599 -14.708 -10.126 813 HB ILE 100 HB ILE 100 6.338 -13.635 -7.885 814 HG12 ILE 100 HG12 ILE 100 5.407 -12.141 -10.363 815 HG13 ILE 100 HG13 ILE 100 4.785 -11.849 -8.740 816 HG21 ILE 100 HG21 ILE 100 7.447 -15.104 -9.510 817 HG22 ILE 100 HG22 ILE 100 7.991 -13.449 -9.747 818 HG23 ILE 100 HG23 ILE 100 6.803 -14.150 -10.842 819 HD11 ILE 100 HD11 ILE 100 7.659 -11.516 -9.638 820 HD12 ILE 100 HD12 ILE 100 7.096 -11.322 -7.979 821 HD13 ILE 100 HD13 ILE 100 6.531 -10.222 -9.234 822 H ASP 101 H ASP 101 3.632 -15.457 -7.037 823 HA ASP 101 HA ASP 101 5.462 -17.449 -6.186 824 HB2 ASP 101 HB2 ASP 101 3.593 -16.614 -4.789 825 HB3 ASP 101 HB3 ASP 101 2.447 -17.435 -5.852 826 H THR 102 H THR 102 2.962 -17.520 -8.647 827 HA THR 102 HA THR 102 2.877 -20.385 -8.956 828 HB THR 102 HB THR 102 1.797 -19.893 -11.123 829 HG1 THR 102 HG1 THR 102 2.470 -18.152 -12.058 830 HG21 THR 102 HG21 THR 102 -0.097 -18.622 -10.253 831 HG22 THR 102 HG22 THR 102 0.899 -17.991 -8.942 832 HG23 THR 102 HG23 THR 102 0.506 -19.709 -9.002 833 H GLU 103 H GLU 103 4.273 -21.712 -10.044 834 HA GLU 103 HA GLU 103 6.818 -20.684 -10.944 835 HB2 GLU 103 HB2 GLU 103 5.521 -23.404 -11.297 836 HB3 GLU 103 HB3 GLU 103 7.195 -23.037 -11.714 837 HG2 GLU 103 HG2 GLU 103 7.560 -22.300 -9.340 838 HG3 GLU 103 HG3 GLU 103 5.933 -22.866 -8.964 Start of MODEL 11 1 H1 ASN 1 H1 ASN 1 -27.188 -5.363 -3.209 2 H2 ASN 1 H2 ASN 1 -27.021 -4.439 -1.794 3 H3 ASN 1 H3 ASN 1 -25.794 -5.519 -2.257 4 HA ASN 1 HA ASN 1 -24.976 -4.161 -3.871 5 HB2 ASN 1 HB2 ASN 1 -27.754 -2.945 -3.968 6 HB3 ASN 1 HB3 ASN 1 -26.392 -2.396 -4.947 7 HD21 ASN 1 HD21 ASN 1 -25.887 -5.654 -4.628 8 HD22 ASN 1 HD22 ASN 1 -26.698 -6.207 -6.013 9 H GLN 2 H GLN 2 -23.547 -3.151 -2.506 10 HA GLN 2 HA GLN 2 -24.408 -0.582 -1.279 11 HB2 GLN 2 HB2 GLN 2 -22.949 -2.731 0.292 12 HB3 GLN 2 HB3 GLN 2 -23.434 -1.142 0.885 13 HG2 GLN 2 HG2 GLN 2 -25.830 -1.790 0.342 14 HG3 GLN 2 HG3 GLN 2 -25.240 -3.430 0.063 15 HE21 GLN 2 HE21 GLN 2 -26.840 -3.745 2.026 16 HE22 GLN 2 HE22 GLN 2 -26.151 -3.615 3.571 17 H GLY 3 H GLY 3 -22.856 -0.834 -3.546 18 HA2 GLY 3 HA2 GLY 3 -20.789 -0.183 -4.442 19 HA3 GLY 3 HA3 GLY 3 -20.538 0.663 -2.914 20 H ASP 4 H ASP 4 -21.028 -2.818 -3.121 21 HA ASP 4 HA ASP 4 -18.829 -3.483 -1.489 22 HB2 ASP 4 HB2 ASP 4 -19.018 -5.771 -2.533 23 HB3 ASP 4 HB3 ASP 4 -20.551 -5.124 -1.944 24 H ASN 5 H ASN 5 -16.678 -4.148 -1.975 25 HA ASN 5 HA ASN 5 -15.695 -4.212 -4.709 26 HB2 ASN 5 HB2 ASN 5 -15.932 -1.748 -4.292 27 HB3 ASN 5 HB3 ASN 5 -14.798 -1.910 -2.952 28 HD21 ASN 5 HD21 ASN 5 -13.004 -0.783 -3.869 29 HD22 ASN 5 HD22 ASN 5 -12.212 -1.292 -5.280 30 H GLU 6 H GLU 6 -14.075 -5.670 -4.656 31 HA GLU 6 HA GLU 6 -12.011 -5.618 -2.600 32 HB2 GLU 6 HB2 GLU 6 -12.456 -7.889 -1.730 33 HB3 GLU 6 HB3 GLU 6 -13.798 -6.800 -1.377 34 HG2 GLU 6 HG2 GLU 6 -14.918 -7.650 -3.482 35 HG3 GLU 6 HG3 GLU 6 -13.650 -8.873 -3.580 36 H ILE 7 H ILE 7 -10.275 -7.115 -3.111 37 HA ILE 7 HA ILE 7 -10.475 -8.623 -5.660 38 HB ILE 7 HB ILE 7 -8.449 -7.523 -6.573 39 HG12 ILE 7 HG12 ILE 7 -8.801 -5.709 -4.162 40 HG13 ILE 7 HG13 ILE 7 -7.433 -6.771 -4.484 41 HG21 ILE 7 HG21 ILE 7 -10.549 -5.446 -5.893 42 HG22 ILE 7 HG22 ILE 7 -10.820 -6.728 -7.073 43 HG23 ILE 7 HG23 ILE 7 -9.552 -5.535 -7.345 44 HD11 ILE 7 HD11 ILE 7 -7.074 -5.463 -6.637 45 HD12 ILE 7 HD12 ILE 7 -6.742 -4.585 -5.146 46 HD13 ILE 7 HD13 ILE 7 -8.245 -4.297 -6.021 47 H SER 8 H SER 8 -8.478 -9.957 -5.995 48 HA SER 8 HA SER 8 -6.983 -10.528 -3.451 49 HB2 SER 8 HB2 SER 8 -8.309 -12.562 -5.269 50 HB3 SER 8 HB3 SER 8 -7.236 -12.952 -3.928 51 HG SER 8 HG SER 8 -9.502 -13.000 -3.395 52 H VAL 9 H VAL 9 -4.883 -11.214 -3.752 53 HA VAL 9 HA VAL 9 -3.870 -11.590 -6.538 54 HB VAL 9 HB VAL 9 -2.624 -9.687 -4.524 55 HG11 VAL 9 HG11 VAL 9 -0.968 -10.744 -5.959 56 HG12 VAL 9 HG12 VAL 9 -1.205 -9.082 -6.501 57 HG13 VAL 9 HG13 VAL 9 -1.945 -10.415 -7.390 58 HG21 VAL 9 HG21 VAL 9 -4.674 -8.719 -5.426 59 HG22 VAL 9 HG22 VAL 9 -4.200 -9.165 -7.066 60 HG23 VAL 9 HG23 VAL 9 -3.290 -7.937 -6.189 61 H GLY 10 H GLY 10 -3.488 -13.779 -6.028 62 HA2 GLY 10 HA2 GLY 10 -2.085 -15.528 -5.307 63 HA3 GLY 10 HA3 GLY 10 -1.026 -14.313 -4.586 64 H ASN 11 H ASN 11 -1.038 -14.154 -2.398 65 HA ASN 11 HA ASN 11 -3.178 -15.608 -0.875 66 HB2 ASN 11 HB2 ASN 11 -1.468 -15.466 1.002 67 HB3 ASN 11 HB3 ASN 11 -1.004 -16.471 -0.370 68 HD21 ASN 11 HD21 ASN 11 0.148 -14.977 -2.203 69 HD22 ASN 11 HD22 ASN 11 1.363 -13.960 -1.592 70 H LEU 12 H LEU 12 -2.575 -12.534 -1.878 71 HA LEU 12 HA LEU 12 -3.248 -11.210 0.709 72 HB2 LEU 12 HB2 LEU 12 -2.277 -10.236 -1.986 73 HB3 LEU 12 HB3 LEU 12 -2.959 -9.111 -0.815 74 HG LEU 12 HG LEU 12 -1.284 -9.908 0.862 75 HD11 LEU 12 HD11 LEU 12 -0.340 -11.519 -1.521 76 HD12 LEU 12 HD12 LEU 12 -0.720 -12.093 0.103 77 HD13 LEU 12 HD13 LEU 12 0.727 -11.129 -0.172 78 HD21 LEU 12 HD21 LEU 12 -0.265 -8.802 -1.771 79 HD22 LEU 12 HD22 LEU 12 0.681 -8.812 -0.282 80 HD23 LEU 12 HD23 LEU 12 -0.814 -7.880 -0.371 81 H ARG 13 H ARG 13 -5.369 -10.954 1.142 82 HA ARG 13 HA ARG 13 -7.326 -10.661 -1.119 83 HB2 ARG 13 HB2 ARG 13 -7.648 -11.626 1.727 84 HB3 ARG 13 HB3 ARG 13 -9.016 -11.243 0.684 85 HG2 ARG 13 HG2 ARG 13 -8.304 -12.917 -0.935 86 HG3 ARG 13 HG3 ARG 13 -6.846 -13.247 0.004 87 HD2 ARG 13 HD2 ARG 13 -8.709 -14.910 0.373 88 HD3 ARG 13 HD3 ARG 13 -8.143 -14.119 1.843 89 HE ARG 13 HE ARG 13 -10.279 -13.155 2.057 90 HH11 ARG 13 HH11 ARG 13 -9.654 -14.185 -1.173 91 HH12 ARG 13 HH12 ARG 13 -11.248 -13.820 -1.741 92 HH21 ARG 13 HH21 ARG 13 -12.366 -12.672 1.334 93 HH22 ARG 13 HH22 ARG 13 -12.785 -12.963 -0.321 94 H LEU 14 H LEU 14 -7.847 -8.571 -1.455 95 HA LEU 14 HA LEU 14 -7.700 -6.629 0.828 96 HB2 LEU 14 HB2 LEU 14 -7.631 -6.304 -2.180 97 HB3 LEU 14 HB3 LEU 14 -7.930 -4.935 -1.117 98 HG LEU 14 HG LEU 14 -5.776 -5.525 0.092 99 HD11 LEU 14 HD11 LEU 14 -5.576 -7.432 -2.255 100 HD12 LEU 14 HD12 LEU 14 -5.397 -7.796 -0.541 101 HD13 LEU 14 HD13 LEU 14 -4.156 -6.871 -1.375 102 HD21 LEU 14 HD21 LEU 14 -5.939 -3.706 -1.583 103 HD22 LEU 14 HD22 LEU 14 -5.567 -4.860 -2.862 104 HD23 LEU 14 HD23 LEU 14 -4.359 -4.488 -1.634 105 H ASN 15 H ASN 15 -9.522 -5.629 1.558 106 HA ASN 15 HA ASN 15 -12.063 -5.887 -0.020 107 HB2 ASN 15 HB2 ASN 15 -11.572 -6.677 2.860 108 HB3 ASN 15 HB3 ASN 15 -13.184 -6.222 2.305 109 HD21 ASN 15 HD21 ASN 15 -13.915 -8.476 2.655 110 HD22 ASN 15 HD22 ASN 15 -13.490 -9.695 1.553 111 H VAL 16 H VAL 16 -12.137 -3.731 -0.571 112 HA VAL 16 HA VAL 16 -11.522 -1.580 1.263 113 HB VAL 16 HB VAL 16 -13.222 -1.433 -1.239 114 HG11 VAL 16 HG11 VAL 16 -12.225 0.864 -1.332 115 HG12 VAL 16 HG12 VAL 16 -11.471 0.559 0.233 116 HG13 VAL 16 HG13 VAL 16 -13.228 0.602 0.094 117 HG21 VAL 16 HG21 VAL 16 -11.202 -2.570 -1.880 118 HG22 VAL 16 HG22 VAL 16 -10.211 -1.489 -0.903 119 HG23 VAL 16 HG23 VAL 16 -11.005 -0.884 -2.357 120 H THR 17 H THR 17 -14.409 -3.379 0.436 121 HA THR 17 HA THR 17 -16.388 -1.614 1.416 122 HB THR 17 HB THR 17 -17.381 -3.451 0.397 123 HG1 THR 17 HG1 THR 17 -17.732 -5.039 2.371 124 HG21 THR 17 HG21 THR 17 -15.163 -5.065 1.669 125 HG22 THR 17 HG22 THR 17 -15.466 -4.784 -0.044 126 HG23 THR 17 HG23 THR 17 -16.541 -5.830 0.882 127 H ARG 18 H ARG 18 -14.672 -4.226 3.168 128 HA ARG 18 HA ARG 18 -15.610 -3.074 5.759 129 HB2 ARG 18 HB2 ARG 18 -14.003 -5.600 5.273 130 HB3 ARG 18 HB3 ARG 18 -14.858 -5.143 6.747 131 HG2 ARG 18 HG2 ARG 18 -16.997 -5.146 5.390 132 HG3 ARG 18 HG3 ARG 18 -16.073 -5.857 4.067 133 HD2 ARG 18 HD2 ARG 18 -17.093 -7.674 5.280 134 HD3 ARG 18 HD3 ARG 18 -15.372 -7.690 5.664 135 HE ARG 18 HE ARG 18 -16.743 -6.097 7.604 136 HH11 ARG 18 HH11 ARG 18 -16.347 -9.340 6.496 137 HH12 ARG 18 HH12 ARG 18 -16.647 -10.047 8.048 138 HH21 ARG 18 HH21 ARG 18 -17.136 -7.004 9.636 139 HH22 ARG 18 HH22 ARG 18 -17.093 -8.724 9.826 140 H ARG 19 H ARG 19 -13.048 -2.853 3.628 141 HA ARG 19 HA ARG 19 -10.877 -2.021 3.791 142 HB2 ARG 19 HB2 ARG 19 -12.024 -0.079 4.748 143 HB3 ARG 19 HB3 ARG 19 -12.023 -0.826 6.338 144 HG2 ARG 19 HG2 ARG 19 -9.286 -0.790 5.301 145 HG3 ARG 19 HG3 ARG 19 -9.967 0.824 5.183 146 HD2 ARG 19 HD2 ARG 19 -10.340 0.964 7.518 147 HD3 ARG 19 HD3 ARG 19 -10.177 -0.774 7.744 148 HE ARG 19 HE ARG 19 -7.753 0.478 6.706 149 HH11 ARG 19 HH11 ARG 19 -9.655 -0.323 9.469 150 HH12 ARG 19 HH12 ARG 19 -8.308 -0.339 10.558 151 HH21 ARG 19 HH21 ARG 19 -5.983 0.459 8.113 152 HH22 ARG 19 HH22 ARG 19 -6.229 0.103 9.790 153 H LEU 20 H LEU 20 -10.100 -4.213 4.089 154 HA LEU 20 HA LEU 20 -8.476 -4.511 6.430 155 HB2 LEU 20 HB2 LEU 20 -11.057 -5.373 6.828 156 HB3 LEU 20 HB3 LEU 20 -10.328 -6.857 6.225 157 HG LEU 20 HG LEU 20 -9.257 -5.204 8.529 158 HD11 LEU 20 HD11 LEU 20 -11.408 -6.313 9.054 159 HD12 LEU 20 HD12 LEU 20 -10.073 -7.044 9.945 160 HD13 LEU 20 HD13 LEU 20 -10.734 -7.854 8.525 161 HD21 LEU 20 HD21 LEU 20 -7.462 -6.400 7.457 162 HD22 LEU 20 HD22 LEU 20 -8.445 -7.857 7.308 163 HD23 LEU 20 HD23 LEU 20 -7.897 -7.321 8.896 164 H VAL 21 H VAL 21 -6.702 -5.700 5.833 165 HA VAL 21 HA VAL 21 -6.877 -7.306 3.292 166 HB VAL 21 HB VAL 21 -4.412 -5.958 4.428 167 HG11 VAL 21 HG11 VAL 21 -3.628 -6.247 2.073 168 HG12 VAL 21 HG12 VAL 21 -5.116 -7.124 1.718 169 HG13 VAL 21 HG13 VAL 21 -3.960 -7.782 2.875 170 HG21 VAL 21 HG21 VAL 21 -5.940 -4.178 3.943 171 HG22 VAL 21 HG22 VAL 21 -6.472 -4.950 2.448 172 HG23 VAL 21 HG23 VAL 21 -4.846 -4.280 2.565 173 H TRP 22 H TRP 22 -6.269 -9.429 3.438 174 HA TRP 22 HA TRP 22 -5.126 -10.400 6.035 175 HB2 TRP 22 HB2 TRP 22 -6.617 -11.835 3.824 176 HB3 TRP 22 HB3 TRP 22 -5.880 -12.650 5.200 177 HD1 TRP 22 HD1 TRP 22 -7.014 -12.392 7.553 178 HE1 TRP 22 HE1 TRP 22 -9.311 -11.491 8.303 179 HE3 TRP 22 HE3 TRP 22 -8.473 -10.034 3.266 180 HZ2 TRP 22 HZ2 TRP 22 -11.481 -9.968 7.224 181 HZ3 TRP 22 HZ3 TRP 22 -10.652 -8.867 3.159 182 HH2 TRP 22 HH2 TRP 22 -12.159 -8.830 5.127 183 H LEU 23 H LEU 23 -3.030 -10.964 6.032 184 HA LEU 23 HA LEU 23 -1.623 -11.399 3.424 185 HB2 LEU 23 HB2 LEU 23 -0.858 -9.618 5.109 186 HB3 LEU 23 HB3 LEU 23 -0.384 -10.953 6.153 187 HG LEU 23 HG LEU 23 1.005 -11.846 4.253 188 HD11 LEU 23 HD11 LEU 23 -0.080 -9.373 2.936 189 HD12 LEU 23 HD12 LEU 23 0.356 -10.928 2.235 190 HD13 LEU 23 HD13 LEU 23 1.609 -9.762 2.626 191 HD21 LEU 23 HD21 LEU 23 1.679 -9.045 5.224 192 HD22 LEU 23 HD22 LEU 23 2.837 -10.236 4.629 193 HD23 LEU 23 HD23 LEU 23 1.960 -10.531 6.130 194 H GLY 24 H GLY 24 -1.542 -13.587 2.949 195 HA2 GLY 24 HA2 GLY 24 -1.094 -15.882 3.297 196 HA3 GLY 24 HA3 GLY 24 -0.253 -15.414 4.782 197 H GLU 25 H GLU 25 -3.545 -14.643 3.935 198 HA GLU 25 HA GLU 25 -5.601 -15.223 4.881 199 HB2 GLU 25 HB2 GLU 25 -4.510 -17.604 4.625 200 HB3 GLU 25 HB3 GLU 25 -4.307 -17.515 6.372 201 HG2 GLU 25 HG2 GLU 25 -6.743 -17.051 6.606 202 HG3 GLU 25 HG3 GLU 25 -6.922 -17.246 4.861 203 H THR 26 H THR 26 -2.974 -14.085 6.506 204 HA THR 26 HA THR 26 -4.326 -14.058 9.186 205 HB THR 26 HB THR 26 -2.223 -13.401 10.116 206 HG1 THR 26 HG1 THR 26 -1.794 -12.153 8.032 207 HG21 THR 26 HG21 THR 26 -2.556 -15.823 9.427 208 HG22 THR 26 HG22 THR 26 -0.876 -15.321 9.615 209 HG23 THR 26 HG23 THR 26 -1.576 -15.468 8.004 210 H ALA 27 H ALA 27 -5.067 -12.175 10.056 211 HA ALA 27 HA ALA 27 -5.534 -9.935 8.320 212 HB1 ALA 27 HB1 ALA 27 -6.447 -8.847 10.341 213 HB2 ALA 27 HB2 ALA 27 -5.762 -10.131 11.336 214 HB3 ALA 27 HB3 ALA 27 -7.043 -10.499 10.181 215 H LEU 28 H LEU 28 -3.940 -8.567 7.688 216 HA LEU 28 HA LEU 28 -1.562 -8.129 9.346 217 HB2 LEU 28 HB2 LEU 28 -1.833 -8.205 6.701 218 HB3 LEU 28 HB3 LEU 28 -2.224 -6.504 6.886 219 HG LEU 28 HG LEU 28 -0.066 -6.203 8.135 220 HD11 LEU 28 HD11 LEU 28 0.133 -9.147 7.591 221 HD12 LEU 28 HD12 LEU 28 0.725 -8.215 8.962 222 HD13 LEU 28 HD13 LEU 28 1.615 -8.205 7.448 223 HD21 LEU 28 HD21 LEU 28 -0.071 -5.540 5.846 224 HD22 LEU 28 HD22 LEU 28 -0.078 -7.211 5.278 225 HD23 LEU 28 HD23 LEU 28 1.371 -6.540 6.021 226 H ASP 29 H ASP 29 -1.224 -6.323 10.646 227 HA ASP 29 HA ASP 29 -3.562 -4.537 11.058 228 HB2 ASP 29 HB2 ASP 29 -2.215 -3.760 13.041 229 HB3 ASP 29 HB3 ASP 29 -2.622 -5.476 13.060 230 H LEU 30 H LEU 30 -3.545 -2.936 9.530 231 HA LEU 30 HA LEU 30 -1.127 -1.166 9.410 232 HB2 LEU 30 HB2 LEU 30 -1.423 -0.832 7.058 233 HB3 LEU 30 HB3 LEU 30 -1.432 -2.570 7.321 234 HG LEU 30 HG LEU 30 -3.880 -0.811 6.914 235 HD11 LEU 30 HD11 LEU 30 -2.629 -1.172 4.863 236 HD12 LEU 30 HD12 LEU 30 -4.088 -2.164 4.827 237 HD13 LEU 30 HD13 LEU 30 -2.528 -2.903 5.189 238 HD21 LEU 30 HD21 LEU 30 -3.547 -3.717 7.685 239 HD22 LEU 30 HD22 LEU 30 -4.926 -3.232 6.698 240 HD23 LEU 30 HD23 LEU 30 -4.702 -2.532 8.293 241 H THR 31 H THR 31 -1.566 0.991 9.674 242 HA THR 31 HA THR 31 -4.008 1.828 10.814 243 HB THR 31 HB THR 31 -3.154 4.190 10.005 244 HG1 THR 31 HG1 THR 31 -1.043 2.442 9.298 245 HG21 THR 31 HG21 THR 31 -2.817 3.342 12.286 246 HG22 THR 31 HG22 THR 31 -1.360 4.153 11.713 247 HG23 THR 31 HG23 THR 31 -1.435 2.392 11.741 248 HA PRO 32 HA PRO 32 -6.817 2.153 7.390 249 HB2 PRO 32 HB2 PRO 32 -8.183 4.505 7.985 250 HB3 PRO 32 HB3 PRO 32 -8.494 2.948 8.778 251 HG2 PRO 32 HG2 PRO 32 -6.810 5.239 9.721 252 HG3 PRO 32 HG3 PRO 32 -7.961 4.242 10.632 253 HD2 PRO 32 HD2 PRO 32 -5.312 3.802 10.824 254 HD3 PRO 32 HD3 PRO 32 -6.457 2.442 10.816 255 H LYS 33 H LYS 33 -5.118 5.185 8.189 256 HA LYS 33 HA LYS 33 -5.436 6.498 5.701 257 HB2 LYS 33 HB2 LYS 33 -3.004 6.524 7.522 258 HB3 LYS 33 HB3 LYS 33 -3.383 7.728 6.291 259 HG2 LYS 33 HG2 LYS 33 -5.279 8.526 7.480 260 HG3 LYS 33 HG3 LYS 33 -5.342 7.104 8.514 261 HD2 LYS 33 HD2 LYS 33 -4.445 8.860 9.863 262 HD3 LYS 33 HD3 LYS 33 -3.081 7.827 9.452 263 HE2 LYS 33 HE2 LYS 33 -2.555 10.246 9.190 264 HE3 LYS 33 HE3 LYS 33 -2.410 9.366 7.673 265 HZ1 LYS 33 HZ1 LYS 33 -3.627 11.486 7.473 266 HZ2 LYS 33 HZ2 LYS 33 -4.823 10.877 8.509 267 HZ3 LYS 33 HZ3 LYS 33 -4.555 10.144 7.001 268 H GLU 34 H GLU 34 -3.040 4.090 6.755 269 HA GLU 34 HA GLU 34 -1.495 4.092 4.344 270 HB2 GLU 34 HB2 GLU 34 -1.957 1.982 6.465 271 HB3 GLU 34 HB3 GLU 34 -0.848 1.749 5.112 272 HG2 GLU 34 HG2 GLU 34 0.415 3.745 5.782 273 HG3 GLU 34 HG3 GLU 34 -0.703 4.021 7.114 274 H TYR 35 H TYR 35 -4.435 2.366 5.311 275 HA TYR 35 HA TYR 35 -4.576 0.522 3.164 276 HB2 TYR 35 HB2 TYR 35 -6.134 0.648 5.170 277 HB3 TYR 35 HB3 TYR 35 -6.948 1.986 4.360 278 HD1 TYR 35 HD1 TYR 35 -7.894 1.595 2.004 279 HD2 TYR 35 HD2 TYR 35 -6.644 -1.607 4.587 280 HE1 TYR 35 HE1 TYR 35 -9.209 -0.013 0.653 281 HE2 TYR 35 HE2 TYR 35 -7.970 -3.210 3.232 282 HH TYR 35 HH TYR 35 -9.319 -3.476 1.510 283 H ALA 36 H ALA 36 -5.138 3.978 3.278 284 HA ALA 36 HA ALA 36 -6.525 4.166 0.739 285 HB1 ALA 36 HB1 ALA 36 -6.041 6.559 0.871 286 HB2 ALA 36 HB2 ALA 36 -4.839 6.274 2.129 287 HB3 ALA 36 HB3 ALA 36 -6.545 5.985 2.460 288 H LEU 37 H LEU 37 -3.129 4.739 1.708 289 HA LEU 37 HA LEU 37 -2.131 5.244 -0.916 290 HB2 LEU 37 HB2 LEU 37 -0.813 4.047 1.537 291 HB3 LEU 37 HB3 LEU 37 0.068 4.354 0.043 292 HG LEU 37 HG LEU 37 -0.628 6.741 0.172 293 HD11 LEU 37 HD11 LEU 37 -1.409 7.462 2.528 294 HD12 LEU 37 HD12 LEU 37 -1.860 5.780 2.756 295 HD13 LEU 37 HD13 LEU 37 -2.610 6.727 1.480 296 HD21 LEU 37 HD21 LEU 37 0.995 7.348 1.846 297 HD22 LEU 37 HD22 LEU 37 1.546 5.830 1.139 298 HD23 LEU 37 HD23 LEU 37 0.751 5.832 2.712 299 H LEU 38 H LEU 38 -2.644 2.257 0.894 300 HA LEU 38 HA LEU 38 -1.490 0.435 -0.942 301 HB2 LEU 38 HB2 LEU 38 -2.352 -0.075 1.394 302 HB3 LEU 38 HB3 LEU 38 -3.977 -0.040 0.718 303 HG LEU 38 HG LEU 38 -3.066 -1.799 -0.997 304 HD11 LEU 38 HD11 LEU 38 -0.989 -1.960 1.213 305 HD12 LEU 38 HD12 LEU 38 -0.700 -1.703 -0.507 306 HD13 LEU 38 HD13 LEU 38 -1.289 -3.259 0.062 307 HD21 LEU 38 HD21 LEU 38 -3.530 -2.407 1.935 308 HD22 LEU 38 HD22 LEU 38 -3.492 -3.643 0.677 309 HD23 LEU 38 HD23 LEU 38 -4.734 -2.391 0.646 310 H SER 39 H SER 39 -4.761 1.822 -0.795 311 HA SER 39 HA SER 39 -5.994 0.365 -2.849 312 HB2 SER 39 HB2 SER 39 -6.298 3.350 -2.421 313 HB3 SER 39 HB3 SER 39 -7.480 2.256 -3.133 314 HG SER 39 HG SER 39 -6.456 1.820 -0.542 315 H ARG 40 H ARG 40 -3.692 3.036 -3.061 316 HA ARG 40 HA ARG 40 -3.920 3.263 -5.971 317 HB2 ARG 40 HB2 ARG 40 -2.069 4.381 -3.862 318 HB3 ARG 40 HB3 ARG 40 -1.657 4.550 -5.567 319 HG2 ARG 40 HG2 ARG 40 -2.912 6.516 -4.669 320 HG3 ARG 40 HG3 ARG 40 -3.739 5.725 -6.010 321 HD2 ARG 40 HD2 ARG 40 -4.371 4.937 -3.165 322 HD3 ARG 40 HD3 ARG 40 -5.128 6.355 -3.886 323 HE ARG 40 HE ARG 40 -5.778 3.605 -4.498 324 HH11 ARG 40 HH11 ARG 40 -5.472 6.801 -5.758 325 HH12 ARG 40 HH12 ARG 40 -6.634 6.555 -7.019 326 HH21 ARG 40 HH21 ARG 40 -7.294 3.268 -6.136 327 HH22 ARG 40 HH22 ARG 40 -7.665 4.556 -7.234 328 H LEU 41 H LEU 41 -1.621 1.737 -3.702 329 HA LEU 41 HA LEU 41 0.217 0.799 -5.657 330 HB2 LEU 41 HB2 LEU 41 -0.566 -0.461 -3.014 331 HB3 LEU 41 HB3 LEU 41 0.844 -0.914 -3.964 332 HG LEU 41 HG LEU 41 0.336 1.863 -2.850 333 HD11 LEU 41 HD11 LEU 41 0.811 0.015 -1.152 334 HD12 LEU 41 HD12 LEU 41 1.952 1.356 -1.151 335 HD13 LEU 41 HD13 LEU 41 2.384 -0.169 -1.924 336 HD21 LEU 41 HD21 LEU 41 2.921 1.945 -3.386 337 HD22 LEU 41 HD22 LEU 41 1.768 2.197 -4.688 338 HD23 LEU 41 HD23 LEU 41 2.551 0.630 -4.499 339 H MET 42 H MET 42 -2.598 -0.921 -4.224 340 HA MET 42 HA MET 42 -2.267 -3.222 -5.905 341 HB2 MET 42 HB2 MET 42 -4.499 -3.858 -5.144 342 HB3 MET 42 HB3 MET 42 -3.559 -3.243 -3.787 343 HG2 MET 42 HG2 MET 42 -5.596 -2.116 -3.505 344 HG3 MET 42 HG3 MET 42 -4.669 -0.932 -4.424 345 HE1 MET 42 HE1 MET 42 -7.484 -0.199 -4.607 346 HE2 MET 42 HE2 MET 42 -7.896 -1.782 -3.936 347 HE3 MET 42 HE3 MET 42 -8.625 -1.244 -5.447 348 H MET 43 H MET 43 -4.117 -0.230 -6.274 349 HA MET 43 HA MET 43 -5.723 -0.943 -8.477 350 HB2 MET 43 HB2 MET 43 -5.939 1.231 -7.358 351 HB3 MET 43 HB3 MET 43 -4.344 1.708 -7.939 352 HG2 MET 43 HG2 MET 43 -5.083 1.706 -10.224 353 HG3 MET 43 HG3 MET 43 -6.604 0.922 -9.796 354 HE1 MET 43 HE1 MET 43 -8.164 4.147 -10.773 355 HE2 MET 43 HE2 MET 43 -8.673 2.556 -10.192 356 HE3 MET 43 HE3 MET 43 -7.388 2.691 -11.391 357 H LYS 44 H LYS 44 -2.315 -0.288 -8.266 358 HA LYS 44 HA LYS 44 -2.007 -0.793 -11.219 359 HB2 LYS 44 HB2 LYS 44 -0.512 1.028 -9.320 360 HB3 LYS 44 HB3 LYS 44 0.167 0.541 -10.873 361 HG2 LYS 44 HG2 LYS 44 -1.651 1.554 -12.079 362 HG3 LYS 44 HG3 LYS 44 -2.560 1.827 -10.591 363 HD2 LYS 44 HD2 LYS 44 -0.816 3.382 -9.803 364 HD3 LYS 44 HD3 LYS 44 0.099 3.109 -11.286 365 HE2 LYS 44 HE2 LYS 44 -1.147 5.146 -11.593 366 HE3 LYS 44 HE3 LYS 44 -1.932 3.906 -12.571 367 HZ1 LYS 44 HZ1 LYS 44 -3.065 3.751 -10.054 368 HZ2 LYS 44 HZ2 LYS 44 -3.789 4.335 -11.473 369 HZ3 LYS 44 HZ3 LYS 44 -2.991 5.408 -10.424 370 H ALA 45 H ALA 45 -2.149 -2.916 -9.378 371 HA ALA 45 HA ALA 45 0.384 -3.711 -8.329 372 HB1 ALA 45 HB1 ALA 45 -1.889 -5.482 -9.270 373 HB2 ALA 45 HB2 ALA 45 -1.788 -4.739 -7.674 374 HB3 ALA 45 HB3 ALA 45 -0.597 -5.944 -8.161 375 H GLY 46 H GLY 46 2.135 -4.599 -9.318 376 HA2 GLY 46 HA2 GLY 46 3.216 -6.029 -10.963 377 HA3 GLY 46 HA3 GLY 46 1.864 -5.762 -12.061 378 H SER 47 H SER 47 2.355 -2.808 -10.846 379 HA SER 47 HA SER 47 4.539 -2.056 -12.760 380 HB2 SER 47 HB2 SER 47 1.796 -0.813 -12.448 381 HB3 SER 47 HB3 SER 47 3.129 0.016 -13.244 382 HG SER 47 HG SER 47 2.778 -2.569 -14.077 383 HA PRO 48 HA PRO 48 5.906 0.251 -9.194 384 HB2 PRO 48 HB2 PRO 48 7.580 2.074 -10.301 385 HB3 PRO 48 HB3 PRO 48 7.951 0.336 -10.332 386 HG2 PRO 48 HG2 PRO 48 6.729 2.032 -12.484 387 HG3 PRO 48 HG3 PRO 48 8.055 0.858 -12.606 388 HD2 PRO 48 HD2 PRO 48 5.485 0.214 -13.284 389 HD3 PRO 48 HD3 PRO 48 6.611 -0.979 -12.597 390 H VAL 49 H VAL 49 4.608 1.628 -8.070 391 HA VAL 49 HA VAL 49 3.244 3.851 -9.471 392 HB VAL 49 HB VAL 49 2.973 2.772 -6.653 393 HG11 VAL 49 HG11 VAL 49 2.399 5.095 -6.560 394 HG12 VAL 49 HG12 VAL 49 0.869 4.231 -6.696 395 HG13 VAL 49 HG13 VAL 49 1.562 5.023 -8.111 396 HG21 VAL 49 HG21 VAL 49 0.700 2.100 -7.575 397 HG22 VAL 49 HG22 VAL 49 2.070 1.221 -8.257 398 HG23 VAL 49 HG23 VAL 49 1.310 2.523 -9.174 399 H HIS 50 H HIS 50 3.739 6.003 -9.092 400 HA HIS 50 HA HIS 50 6.304 6.610 -7.925 401 HB2 HIS 50 HB2 HIS 50 5.018 7.908 -9.763 402 HB3 HIS 50 HB3 HIS 50 4.111 8.639 -8.442 403 HD1 HIS 50 HD1 HIS 50 5.636 10.656 -9.897 404 HD2 HIS 50 HD2 HIS 50 7.504 8.367 -6.949 405 HE1 HIS 50 HE1 HIS 50 7.691 11.950 -9.174 406 HE2 HIS 50 HE2 HIS 50 8.831 10.566 -7.382 407 H ARG 51 H ARG 51 6.713 6.825 -5.781 408 HA ARG 51 HA ARG 51 4.843 6.508 -3.721 409 HB2 ARG 51 HB2 ARG 51 6.581 7.647 -2.254 410 HB3 ARG 51 HB3 ARG 51 7.170 6.276 -3.193 411 HG2 ARG 51 HG2 ARG 51 8.220 7.693 -4.800 412 HG3 ARG 51 HG3 ARG 51 7.381 9.124 -4.198 413 HD2 ARG 51 HD2 ARG 51 9.761 9.007 -3.445 414 HD3 ARG 51 HD3 ARG 51 8.619 9.018 -2.101 415 HE ARG 51 HE ARG 51 9.089 6.311 -2.694 416 HH11 ARG 51 HH11 ARG 51 10.849 9.121 -1.750 417 HH12 ARG 51 HH12 ARG 51 12.051 8.236 -0.871 418 HH21 ARG 51 HH21 ARG 51 10.647 5.140 -1.550 419 HH22 ARG 51 HH22 ARG 51 11.936 5.983 -0.757 420 H GLU 52 H GLU 52 5.404 9.233 -5.713 421 HA GLU 52 HA GLU 52 4.543 11.303 -3.918 422 HB2 GLU 52 HB2 GLU 52 4.516 11.081 -6.940 423 HB3 GLU 52 HB3 GLU 52 4.015 12.539 -6.083 424 HG2 GLU 52 HG2 GLU 52 6.711 11.223 -5.661 425 HG3 GLU 52 HG3 GLU 52 6.443 12.513 -6.834 426 H ILE 53 H ILE 53 2.757 9.424 -6.412 427 HA ILE 53 HA ILE 53 0.216 10.572 -5.996 428 HB ILE 53 HB ILE 53 0.871 7.684 -6.651 429 HG12 ILE 53 HG12 ILE 53 0.252 9.975 -8.540 430 HG13 ILE 53 HG13 ILE 53 1.896 9.484 -8.135 431 HG21 ILE 53 HG21 ILE 53 -1.384 7.828 -7.804 432 HG22 ILE 53 HG22 ILE 53 -1.632 9.364 -6.974 433 HG23 ILE 53 HG23 ILE 53 -1.453 7.876 -6.043 434 HD11 ILE 53 HD11 ILE 53 -0.209 7.650 -9.320 435 HD12 ILE 53 HD12 ILE 53 1.473 7.233 -8.991 436 HD13 ILE 53 HD13 ILE 53 1.087 8.421 -10.236 437 H LEU 54 H LEU 54 1.975 8.215 -4.084 438 HA LEU 54 HA LEU 54 -0.312 7.388 -2.500 439 HB2 LEU 54 HB2 LEU 54 2.582 7.259 -1.623 440 HB3 LEU 54 HB3 LEU 54 1.254 6.190 -1.171 441 HG LEU 54 HG LEU 54 2.496 6.433 -3.926 442 HD11 LEU 54 HD11 LEU 54 3.394 4.257 -3.541 443 HD12 LEU 54 HD12 LEU 54 2.421 4.029 -2.089 444 HD13 LEU 54 HD13 LEU 54 3.758 5.179 -2.083 445 HD21 LEU 54 HD21 LEU 54 0.192 5.964 -4.293 446 HD22 LEU 54 HD22 LEU 54 0.098 4.898 -2.890 447 HD23 LEU 54 HD23 LEU 54 0.971 4.388 -4.333 448 H TYR 55 H TYR 55 2.037 9.997 -2.304 449 HA TYR 55 HA TYR 55 1.365 10.708 0.433 450 HB2 TYR 55 HB2 TYR 55 3.458 11.404 -1.006 451 HB3 TYR 55 HB3 TYR 55 2.419 12.700 -1.593 452 HD1 TYR 55 HD1 TYR 55 3.353 11.045 1.652 453 HD2 TYR 55 HD2 TYR 55 2.464 14.730 -0.379 454 HE1 TYR 55 HE1 TYR 55 3.803 12.305 3.737 455 HE2 TYR 55 HE2 TYR 55 2.921 15.985 1.710 456 HH TYR 55 HH TYR 55 3.907 15.817 3.776 457 H ASN 56 H ASN 56 0.179 11.524 -2.760 458 HA ASN 56 HA ASN 56 -1.520 13.692 -2.050 459 HB2 ASN 56 HB2 ASN 56 -1.850 11.646 -4.260 460 HB3 ASN 56 HB3 ASN 56 -2.713 13.181 -4.152 461 HD21 ASN 56 HD21 ASN 56 0.524 11.754 -4.644 462 HD22 ASN 56 HD22 ASN 56 1.221 13.154 -5.306 463 H ASP 57 H ASP 57 -1.793 10.288 -1.484 464 HA ASP 57 HA ASP 57 -4.628 10.046 -1.340 465 HB2 ASP 57 HB2 ASP 57 -2.423 8.630 0.155 466 HB3 ASP 57 HB3 ASP 57 -4.118 8.159 0.267 467 H ILE 58 H ILE 58 -2.287 10.639 1.286 468 HA ILE 58 HA ILE 58 -4.424 11.305 3.162 469 HB ILE 58 HB ILE 58 -1.531 11.973 3.715 470 HG12 ILE 58 HG12 ILE 58 -2.692 9.170 3.557 471 HG13 ILE 58 HG13 ILE 58 -1.368 9.819 2.588 472 HG21 ILE 58 HG21 ILE 58 -2.103 11.352 5.951 473 HG22 ILE 58 HG22 ILE 58 -3.576 10.534 5.426 474 HG23 ILE 58 HG23 ILE 58 -3.471 12.292 5.355 475 HD11 ILE 58 HD11 ILE 58 -0.147 10.249 4.798 476 HD12 ILE 58 HD12 ILE 58 -0.317 8.561 4.315 477 HD13 ILE 58 HD13 ILE 58 -1.376 9.235 5.551 478 H TYR 59 H TYR 59 -2.025 13.139 1.301 479 HA TYR 59 HA TYR 59 -3.250 15.707 2.281 480 HB2 TYR 59 HB2 TYR 59 -0.553 15.130 1.021 481 HB3 TYR 59 HB3 TYR 59 -1.144 16.742 1.425 482 HD1 TYR 59 HD1 TYR 59 -1.416 17.446 3.756 483 HD2 TYR 59 HD2 TYR 59 0.064 13.536 2.768 484 HE1 TYR 59 HE1 TYR 59 -0.654 17.143 6.097 485 HE2 TYR 59 HE2 TYR 59 0.827 13.234 5.108 486 HH TYR 59 HH TYR 59 0.754 15.868 7.418 487 H SER 60 H SER 60 -3.443 17.428 0.611 488 HA SER 60 HA SER 60 -3.326 16.770 -2.197 489 HB2 SER 60 HB2 SER 60 -6.015 16.707 -0.811 490 HB3 SER 60 HB3 SER 60 -5.846 16.960 -2.546 491 HG SER 60 HG SER 60 -4.916 14.742 -1.032 492 H TRP 61 H TRP 61 -4.726 18.804 0.335 493 HA TRP 61 HA TRP 61 -5.017 21.110 -1.457 494 HB2 TRP 61 HB2 TRP 61 -5.237 20.855 1.558 495 HB3 TRP 61 HB3 TRP 61 -5.623 22.312 0.641 496 HD1 TRP 61 HD1 TRP 61 -6.688 18.601 0.823 497 HE1 TRP 61 HE1 TRP 61 -9.174 18.445 0.154 498 HE3 TRP 61 HE3 TRP 61 -7.581 23.478 -0.404 499 HZ2 TRP 61 HZ2 TRP 61 -11.264 20.162 -0.776 500 HZ3 TRP 61 HZ3 TRP 61 -9.825 24.189 -1.177 501 HH2 TRP 61 HH2 TRP 61 -11.665 22.539 -1.366 502 H ASP 62 H ASP 62 -2.598 19.850 0.742 503 HA ASP 62 HA ASP 62 -0.678 21.862 -0.203 504 HB2 ASP 62 HB2 ASP 62 -1.586 21.761 2.688 505 HB3 ASP 62 HB3 ASP 62 -0.084 22.530 2.173 506 H ASN 63 H ASN 63 1.113 20.674 -0.577 507 HA ASN 63 HA ASN 63 1.499 18.015 0.358 508 HB2 ASN 63 HB2 ASN 63 3.517 20.030 -0.672 509 HB3 ASN 63 HB3 ASN 63 3.847 18.311 -0.448 510 HD21 ASN 63 HD21 ASN 63 3.419 17.010 -2.239 511 HD22 ASN 63 HD22 ASN 63 2.404 17.437 -3.531 512 H GLU 64 H GLU 64 2.935 21.078 1.475 513 HA GLU 64 HA GLU 64 4.043 21.591 3.484 514 HB2 GLU 64 HB2 GLU 64 1.718 20.929 4.282 515 HB3 GLU 64 HB3 GLU 64 2.380 19.333 4.630 516 HG2 GLU 64 HG2 GLU 64 2.509 20.577 6.676 517 HG3 GLU 64 HG3 GLU 64 4.151 20.502 6.039 518 HA PRO 65 HA PRO 65 6.694 17.740 3.048 519 HB2 PRO 65 HB2 PRO 65 8.786 18.786 1.669 520 HB3 PRO 65 HB3 PRO 65 7.299 18.257 0.851 521 HG2 PRO 65 HG2 PRO 65 8.135 21.027 1.632 522 HG3 PRO 65 HG3 PRO 65 7.414 20.460 0.113 523 HD2 PRO 65 HD2 PRO 65 5.944 21.662 2.112 524 HD3 PRO 65 HD3 PRO 65 5.250 20.478 0.984 525 H ALA 66 H ALA 66 7.316 17.633 5.212 526 HA ALA 66 HA ALA 66 8.781 19.781 6.521 527 HB1 ALA 66 HB1 ALA 66 7.325 18.317 7.832 528 HB2 ALA 66 HB2 ALA 66 8.988 18.137 8.387 529 HB3 ALA 66 HB3 ALA 66 8.268 16.907 7.349 530 H THR 67 H THR 67 9.652 17.236 4.435 531 HA THR 67 HA THR 67 11.729 16.432 3.727 532 HB THR 67 HB THR 67 13.026 18.728 5.213 533 HG1 THR 67 HG1 THR 67 10.964 18.998 3.670 534 HG21 THR 67 HG21 THR 67 13.516 17.417 2.520 535 HG22 THR 67 HG22 THR 67 14.494 17.202 3.971 536 HG23 THR 67 HG23 THR 67 14.437 18.771 3.171 537 H ASN 68 H ASN 68 10.609 15.764 6.457 538 HA ASN 68 HA ASN 68 12.826 14.165 7.366 539 HB2 ASN 68 HB2 ASN 68 13.047 15.261 9.624 540 HB3 ASN 68 HB3 ASN 68 13.678 16.234 8.295 541 HD21 ASN 68 HD21 ASN 68 10.406 15.727 9.762 542 HD22 ASN 68 HD22 ASN 68 10.040 17.382 9.858 543 H THR 69 H THR 69 10.143 13.652 6.678 544 HA THR 69 HA THR 69 9.270 12.179 9.009 545 HB THR 69 HB THR 69 7.467 14.430 8.071 546 HG1 THR 69 HG1 THR 69 8.665 15.567 9.353 547 HG21 THR 69 HG21 THR 69 6.271 12.465 8.903 548 HG22 THR 69 HG22 THR 69 6.151 13.778 10.074 549 HG23 THR 69 HG23 THR 69 7.273 12.447 10.355 550 H LEU 70 H LEU 70 8.541 13.476 5.810 551 HA LEU 70 HA LEU 70 6.435 11.720 5.095 552 HB2 LEU 70 HB2 LEU 70 8.585 13.033 3.409 553 HB3 LEU 70 HB3 LEU 70 7.210 12.164 2.731 554 HG LEU 70 HG LEU 70 5.692 13.703 4.030 555 HD11 LEU 70 HD11 LEU 70 6.909 15.962 4.599 556 HD12 LEU 70 HD12 LEU 70 8.346 14.952 4.731 557 HD13 LEU 70 HD13 LEU 70 6.949 14.645 5.762 558 HD21 LEU 70 HD21 LEU 70 5.937 15.555 2.440 559 HD22 LEU 70 HD22 LEU 70 6.221 14.019 1.621 560 HD23 LEU 70 HD23 LEU 70 7.584 15.044 2.075 561 H GLU 71 H GLU 71 9.964 11.364 4.504 562 HA GLU 71 HA GLU 71 9.688 8.730 3.372 563 HB2 GLU 71 HB2 GLU 71 12.142 9.913 4.696 564 HB3 GLU 71 HB3 GLU 71 12.098 8.627 3.491 565 HG2 GLU 71 HG2 GLU 71 11.123 10.217 1.853 566 HG3 GLU 71 HG3 GLU 71 11.240 11.502 3.056 567 H VAL 72 H VAL 72 9.933 9.944 6.630 568 HA VAL 72 HA VAL 72 10.706 7.408 7.817 569 HB VAL 72 HB VAL 72 9.388 9.826 9.050 570 HG11 VAL 72 HG11 VAL 72 9.115 7.941 10.517 571 HG12 VAL 72 HG12 VAL 72 10.461 8.885 11.153 572 HG13 VAL 72 HG13 VAL 72 10.773 7.410 10.237 573 HG21 VAL 72 HG21 VAL 72 12.308 9.023 8.864 574 HG22 VAL 72 HG22 VAL 72 11.692 10.415 9.754 575 HG23 VAL 72 HG23 VAL 72 11.550 10.359 7.997 576 H HIS 73 H HIS 73 7.638 9.176 7.476 577 HA HIS 73 HA HIS 73 5.971 7.312 8.822 578 HB2 HIS 73 HB2 HIS 73 5.246 9.562 7.915 579 HB3 HIS 73 HB3 HIS 73 5.238 8.844 6.304 580 HD1 HIS 73 HD1 HIS 73 3.860 7.727 9.699 581 HD2 HIS 73 HD2 HIS 73 2.664 8.060 5.717 582 HE1 HIS 73 HE1 HIS 73 1.477 6.872 9.592 583 HE2 HIS 73 HE2 HIS 73 0.739 7.071 7.173 584 H ILE 74 H ILE 74 7.270 7.396 5.568 585 HA ILE 74 HA ILE 74 5.865 5.068 4.609 586 HB ILE 74 HB ILE 74 8.465 6.327 3.686 587 HG12 ILE 74 HG12 ILE 74 5.660 6.391 2.521 588 HG13 ILE 74 HG13 ILE 74 6.351 7.678 3.505 589 HG21 ILE 74 HG21 ILE 74 7.976 4.984 1.571 590 HG22 ILE 74 HG22 ILE 74 6.787 4.088 2.513 591 HG23 ILE 74 HG23 ILE 74 8.492 4.026 2.955 592 HD11 ILE 74 HD11 ILE 74 7.214 6.756 0.762 593 HD12 ILE 74 HD12 ILE 74 8.271 7.728 1.784 594 HD13 ILE 74 HD13 ILE 74 6.715 8.371 1.266 595 H HIS 75 H HIS 75 9.010 5.559 6.189 596 HA HIS 75 HA HIS 75 9.909 2.861 5.999 597 HB2 HIS 75 HB2 HIS 75 11.290 4.809 6.803 598 HB3 HIS 75 HB3 HIS 75 10.385 4.761 8.316 599 HD1 HIS 75 HD1 HIS 75 10.360 2.141 9.387 600 HD2 HIS 75 HD2 HIS 75 13.565 3.262 6.964 601 HE1 HIS 75 HE1 HIS 75 12.245 0.524 9.895 602 HE2 HIS 75 HE2 HIS 75 14.199 1.197 8.426 603 H ASN 76 H ASN 76 7.752 4.470 8.275 604 HA ASN 76 HA ASN 76 7.484 2.171 10.025 605 HB2 ASN 76 HB2 ASN 76 5.795 4.659 9.644 606 HB3 ASN 76 HB3 ASN 76 5.459 3.435 10.869 607 HD21 ASN 76 HD21 ASN 76 8.821 3.851 10.169 608 HD22 ASN 76 HD22 ASN 76 9.211 4.781 11.534 609 H LEU 77 H LEU 77 5.603 3.511 7.330 610 HA LEU 77 HA LEU 77 3.486 1.585 7.474 611 HB2 LEU 77 HB2 LEU 77 2.668 3.080 5.950 612 HB3 LEU 77 HB3 LEU 77 4.247 3.826 5.817 613 HG LEU 77 HG LEU 77 4.869 2.161 4.081 614 HD11 LEU 77 HD11 LEU 77 2.562 0.750 5.024 615 HD12 LEU 77 HD12 LEU 77 3.634 0.298 3.706 616 HD13 LEU 77 HD13 LEU 77 2.192 1.249 3.373 617 HD21 LEU 77 HD21 LEU 77 3.549 3.180 2.313 618 HD22 LEU 77 HD22 LEU 77 3.862 4.396 3.550 619 HD23 LEU 77 HD23 LEU 77 2.283 3.619 3.458 620 H ARG 78 H ARG 78 6.574 1.656 5.732 621 HA ARG 78 HA ARG 78 6.336 -0.615 4.128 622 HB2 ARG 78 HB2 ARG 78 8.336 0.915 4.288 623 HB3 ARG 78 HB3 ARG 78 8.792 0.062 5.764 624 HG2 ARG 78 HG2 ARG 78 8.876 -2.063 4.514 625 HG3 ARG 78 HG3 ARG 78 8.424 -1.213 3.036 626 HD2 ARG 78 HD2 ARG 78 10.469 0.242 3.359 627 HD3 ARG 78 HD3 ARG 78 10.954 -0.847 4.659 628 HE ARG 78 HE ARG 78 10.386 -2.283 2.200 629 HH11 ARG 78 HH11 ARG 78 12.675 -0.374 3.934 630 HH12 ARG 78 HH12 ARG 78 14.051 -1.053 3.130 631 HH21 ARG 78 HH21 ARG 78 12.169 -3.180 1.141 632 HH22 ARG 78 HH22 ARG 78 13.764 -2.643 1.549 633 H GLU 79 H GLU 79 7.404 -0.534 7.543 634 HA GLU 79 HA GLU 79 7.714 -3.336 7.857 635 HB2 GLU 79 HB2 GLU 79 6.911 -1.244 9.896 636 HB3 GLU 79 HB3 GLU 79 7.430 -2.882 10.293 637 HG2 GLU 79 HG2 GLU 79 9.109 -0.957 8.666 638 HG3 GLU 79 HG3 GLU 79 9.261 -1.136 10.414 639 H LYS 80 H LYS 80 4.796 -1.348 8.006 640 HA LYS 80 HA LYS 80 3.147 -3.358 9.224 641 HB2 LYS 80 HB2 LYS 80 2.691 -0.760 7.814 642 HB3 LYS 80 HB3 LYS 80 1.317 -1.859 7.854 643 HG2 LYS 80 HG2 LYS 80 1.166 -0.410 9.778 644 HG3 LYS 80 HG3 LYS 80 1.608 -2.014 10.358 645 HD2 LYS 80 HD2 LYS 80 4.028 -1.257 10.298 646 HD3 LYS 80 HD3 LYS 80 3.433 0.371 9.975 647 HE2 LYS 80 HE2 LYS 80 2.163 0.357 12.065 648 HE3 LYS 80 HE3 LYS 80 2.668 -1.303 12.383 649 HZ1 LYS 80 HZ1 LYS 80 4.986 -0.512 12.360 650 HZ2 LYS 80 HZ2 LYS 80 4.066 0.189 13.601 651 HZ3 LYS 80 HZ3 LYS 80 4.424 1.083 12.202 652 H ILE 81 H ILE 81 3.688 -2.487 5.793 653 HA ILE 81 HA ILE 81 1.900 -4.570 4.841 654 HB ILE 81 HB ILE 81 3.015 -4.075 2.608 655 HG12 ILE 81 HG12 ILE 81 4.368 -1.897 4.223 656 HG13 ILE 81 HG13 ILE 81 5.189 -3.343 3.639 657 HG21 ILE 81 HG21 ILE 81 0.960 -2.923 3.404 658 HG22 ILE 81 HG22 ILE 81 1.969 -1.868 2.414 659 HG23 ILE 81 HG23 ILE 81 1.967 -1.694 4.169 660 HD11 ILE 81 HD11 ILE 81 4.553 -2.739 1.314 661 HD12 ILE 81 HD12 ILE 81 5.552 -1.498 2.070 662 HD13 ILE 81 HD13 ILE 81 3.812 -1.259 1.920 663 H GLY 82 H GLY 82 5.358 -4.357 5.509 664 HA2 GLY 82 HA2 GLY 82 6.804 -6.206 5.912 665 HA3 GLY 82 HA3 GLY 82 5.555 -7.297 5.309 666 H LYS 83 H LYS 83 8.146 -5.130 4.384 667 HA LYS 83 HA LYS 83 8.004 -5.044 1.621 668 HB2 LYS 83 HB2 LYS 83 10.485 -5.013 1.612 669 HB3 LYS 83 HB3 LYS 83 9.818 -3.986 2.881 670 HG2 LYS 83 HG2 LYS 83 10.103 -5.901 4.486 671 HG3 LYS 83 HG3 LYS 83 10.943 -6.781 3.209 672 HD2 LYS 83 HD2 LYS 83 12.659 -5.070 3.081 673 HD3 LYS 83 HD3 LYS 83 11.782 -4.050 4.223 674 HE2 LYS 83 HE2 LYS 83 12.778 -6.831 4.894 675 HE3 LYS 83 HE3 LYS 83 13.687 -5.360 5.246 676 HZ1 LYS 83 HZ1 LYS 83 12.119 -4.651 6.763 677 HZ2 LYS 83 HZ2 LYS 83 12.139 -6.324 7.038 678 HZ3 LYS 83 HZ3 LYS 83 10.887 -5.630 6.123 679 H SER 84 H SER 84 8.341 -7.863 3.549 680 HA SER 84 HA SER 84 9.758 -9.602 1.836 681 HB2 SER 84 HB2 SER 84 9.077 -10.231 4.116 682 HB3 SER 84 HB3 SER 84 7.387 -10.237 3.620 683 HG SER 84 HG SER 84 8.301 -12.330 3.559 684 H ARG 85 H ARG 85 6.212 -9.055 1.974 685 HA ARG 85 HA ARG 85 5.877 -10.573 -0.545 686 HB2 ARG 85 HB2 ARG 85 3.767 -9.059 1.007 687 HB3 ARG 85 HB3 ARG 85 3.521 -10.360 -0.158 688 HG2 ARG 85 HG2 ARG 85 4.862 -10.592 2.555 689 HG3 ARG 85 HG3 ARG 85 3.309 -11.277 2.089 690 HD2 ARG 85 HD2 ARG 85 4.663 -12.514 0.230 691 HD3 ARG 85 HD3 ARG 85 6.068 -12.127 1.226 692 HE ARG 85 HE ARG 85 4.117 -13.276 2.928 693 HH11 ARG 85 HH11 ARG 85 6.089 -14.051 0.207 694 HH12 ARG 85 HH12 ARG 85 6.213 -15.731 0.607 695 HH21 ARG 85 HH21 ARG 85 4.267 -15.468 3.464 696 HH22 ARG 85 HH22 ARG 85 5.181 -16.534 2.450 697 H ILE 86 H ILE 86 7.056 -7.617 -0.134 698 HA ILE 86 HA ILE 86 5.733 -6.558 -2.612 699 HB ILE 86 HB ILE 86 6.491 -4.911 -0.171 700 HG12 ILE 86 HG12 ILE 86 3.837 -4.412 -0.533 701 HG13 ILE 86 HG13 ILE 86 3.883 -6.058 -1.153 702 HG21 ILE 86 HG21 ILE 86 6.903 -3.558 -2.069 703 HG22 ILE 86 HG22 ILE 86 5.276 -3.109 -1.568 704 HG23 ILE 86 HG23 ILE 86 5.505 -4.194 -2.938 705 HD11 ILE 86 HD11 ILE 86 4.900 -6.825 0.967 706 HD12 ILE 86 HD12 ILE 86 3.366 -6.010 1.263 707 HD13 ILE 86 HD13 ILE 86 4.885 -5.171 1.573 708 H ARG 87 H ARG 87 7.212 -4.946 -3.733 709 HA ARG 87 HA ARG 87 10.101 -5.291 -3.025 710 HB2 ARG 87 HB2 ARG 87 9.376 -7.024 -4.735 711 HB3 ARG 87 HB3 ARG 87 9.039 -5.688 -5.835 712 HG2 ARG 87 HG2 ARG 87 11.397 -4.915 -5.558 713 HG3 ARG 87 HG3 ARG 87 11.715 -6.336 -4.563 714 HD2 ARG 87 HD2 ARG 87 10.653 -6.488 -7.395 715 HD3 ARG 87 HD3 ARG 87 12.366 -6.596 -6.993 716 HE ARG 87 HE ARG 87 10.397 -8.698 -6.619 717 HH11 ARG 87 HH11 ARG 87 13.296 -7.244 -5.445 718 HH12 ARG 87 HH12 ARG 87 13.886 -8.698 -4.713 719 HH21 ARG 87 HH21 ARG 87 11.153 -10.605 -5.670 720 HH22 ARG 87 HH22 ARG 87 12.673 -10.600 -4.839 721 H THR 88 H THR 88 11.131 -3.385 -3.133 722 HA THR 88 HA THR 88 9.764 -1.043 -4.325 723 HB THR 88 HB THR 88 11.223 0.272 -3.043 724 HG1 THR 88 HG1 THR 88 13.219 -0.995 -2.235 725 HG21 THR 88 HG21 THR 88 11.408 -2.304 -1.474 726 HG22 THR 88 HG22 THR 88 9.892 -1.419 -1.642 727 HG23 THR 88 HG23 THR 88 11.275 -0.659 -0.855 728 H VAL 89 H VAL 89 10.545 0.075 -6.124 729 HA VAL 89 HA VAL 89 12.624 -1.340 -7.747 730 HB VAL 89 HB VAL 89 10.559 0.734 -8.536 731 HG11 VAL 89 HG11 VAL 89 12.616 -0.833 -10.115 732 HG12 VAL 89 HG12 VAL 89 12.442 0.920 -10.019 733 HG13 VAL 89 HG13 VAL 89 11.230 -0.042 -10.866 734 HG21 VAL 89 HG21 VAL 89 10.716 -2.279 -8.849 735 HG22 VAL 89 HG22 VAL 89 9.596 -1.271 -9.765 736 HG23 VAL 89 HG23 VAL 89 9.472 -1.352 -8.009 737 H ARG 90 H ARG 90 14.620 -0.513 -7.466 738 HA ARG 90 HA ARG 90 16.344 1.045 -7.113 739 HB2 ARG 90 HB2 ARG 90 14.515 2.508 -9.033 740 HB3 ARG 90 HB3 ARG 90 16.141 3.057 -8.624 741 HG2 ARG 90 HG2 ARG 90 17.050 0.878 -9.396 742 HG3 ARG 90 HG3 ARG 90 15.423 0.384 -9.864 743 HD2 ARG 90 HD2 ARG 90 16.759 2.882 -10.930 744 HD3 ARG 90 HD3 ARG 90 16.837 1.323 -11.750 745 HE ARG 90 HE ARG 90 14.104 2.093 -11.135 746 HH11 ARG 90 HH11 ARG 90 16.784 2.497 -13.269 747 HH12 ARG 90 HH12 ARG 90 15.804 2.930 -14.630 748 HH21 ARG 90 HH21 ARG 90 12.812 2.656 -12.902 749 HH22 ARG 90 HH22 ARG 90 13.557 3.020 -14.422 750 H GLY 91 H GLY 91 14.210 1.146 -5.110 751 HA2 GLY 91 HA2 GLY 91 13.395 2.571 -3.421 752 HA3 GLY 91 HA3 GLY 91 14.952 3.376 -3.606 753 H PHE 92 H PHE 92 12.006 3.156 -5.622 754 HA PHE 92 HA PHE 92 11.816 6.125 -5.625 755 HB2 PHE 92 HB2 PHE 92 12.916 5.626 -7.709 756 HB3 PHE 92 HB3 PHE 92 11.833 4.274 -8.025 757 HD1 PHE 92 HD1 PHE 92 12.019 7.982 -7.750 758 HD2 PHE 92 HD2 PHE 92 9.682 4.614 -9.037 759 HE1 PHE 92 HE1 PHE 92 10.455 9.511 -8.921 760 HE2 PHE 92 HE2 PHE 92 8.118 6.142 -10.204 761 HZ PHE 92 HZ PHE 92 8.503 8.589 -10.147 762 H GLY 93 H GLY 93 10.053 3.534 -7.317 763 HA2 GLY 93 HA2 GLY 93 7.524 4.533 -6.060 764 HA3 GLY 93 HA3 GLY 93 7.631 3.603 -7.555 765 H TYR 94 H TYR 94 6.135 2.064 -6.701 766 HA TYR 94 HA TYR 94 7.441 -0.043 -5.089 767 HB2 TYR 94 HB2 TYR 94 5.135 1.647 -4.158 768 HB3 TYR 94 HB3 TYR 94 5.073 -0.072 -3.774 769 HD1 TYR 94 HD1 TYR 94 7.035 3.053 -3.349 770 HD2 TYR 94 HD2 TYR 94 6.546 -1.038 -2.137 771 HE1 TYR 94 HE1 TYR 94 8.607 3.420 -1.470 772 HE2 TYR 94 HE2 TYR 94 8.116 -0.672 -0.256 773 HH TYR 94 HH TYR 94 9.918 2.332 0.071 774 H MET 95 H MET 95 6.448 -2.093 -5.447 775 HA MET 95 HA MET 95 4.075 -2.204 -7.218 776 HB2 MET 95 HB2 MET 95 5.119 -3.385 -8.999 777 HB3 MET 95 HB3 MET 95 6.173 -2.016 -8.674 778 HG2 MET 95 HG2 MET 95 7.724 -3.760 -8.800 779 HG3 MET 95 HG3 MET 95 7.408 -3.720 -7.066 780 HE1 MET 95 HE1 MET 95 5.913 -5.127 -10.408 781 HE2 MET 95 HE2 MET 95 6.231 -6.849 -10.164 782 HE3 MET 95 HE3 MET 95 7.565 -5.699 -10.195 783 H LEU 96 H LEU 96 2.816 -3.824 -6.570 784 HA LEU 96 HA LEU 96 3.780 -5.708 -4.530 785 HB2 LEU 96 HB2 LEU 96 1.122 -5.119 -5.834 786 HB3 LEU 96 HB3 LEU 96 1.321 -6.618 -4.929 787 HG LEU 96 HG LEU 96 1.960 -5.377 -2.929 788 HD11 LEU 96 HD11 LEU 96 3.155 -3.509 -3.867 789 HD12 LEU 96 HD12 LEU 96 1.775 -2.850 -2.991 790 HD13 LEU 96 HD13 LEU 96 1.727 -2.968 -4.751 791 HD21 LEU 96 HD21 LEU 96 -0.501 -4.164 -4.227 792 HD22 LEU 96 HD22 LEU 96 -0.170 -4.230 -2.497 793 HD23 LEU 96 HD23 LEU 96 -0.456 -5.719 -3.398 794 H ALA 97 H ALA 97 4.428 -7.785 -4.898 795 HA ALA 97 HA ALA 97 5.139 -8.704 -7.468 796 HB1 ALA 97 HB1 ALA 97 5.303 -10.957 -6.403 797 HB2 ALA 97 HB2 ALA 97 4.496 -10.309 -4.976 798 HB3 ALA 97 HB3 ALA 97 6.081 -9.697 -5.447 799 H ASN 98 H ASN 98 3.992 -9.663 -9.093 800 HA ASN 98 HA ASN 98 1.172 -9.656 -9.170 801 HB2 ASN 98 HB2 ASN 98 3.108 -11.405 -10.719 802 HB3 ASN 98 HB3 ASN 98 1.411 -11.165 -11.135 803 HD21 ASN 98 HD21 ASN 98 1.062 -8.429 -10.755 804 HD22 ASN 98 HD22 ASN 98 2.090 -7.560 -11.789 805 H ASN 99 H ASN 99 2.763 -12.778 -9.561 806 HA ASN 99 HA ASN 99 1.540 -13.888 -7.125 807 HB2 ASN 99 HB2 ASN 99 0.652 -14.862 -9.860 808 HB3 ASN 99 HB3 ASN 99 0.146 -15.517 -8.303 809 HD21 ASN 99 HD21 ASN 99 -0.828 -13.691 -6.775 810 HD22 ASN 99 HD22 ASN 99 -1.886 -12.600 -7.530 811 H ILE 100 H ILE 100 4.212 -13.753 -7.719 812 HA ILE 100 HA ILE 100 5.196 -16.051 -9.150 813 HB ILE 100 HB ILE 100 6.620 -14.536 -6.943 814 HG12 ILE 100 HG12 ILE 100 6.617 -13.921 -9.915 815 HG13 ILE 100 HG13 ILE 100 5.656 -13.032 -8.736 816 HG21 ILE 100 HG21 ILE 100 7.784 -16.554 -7.602 817 HG22 ILE 100 HG22 ILE 100 8.630 -15.193 -8.331 818 HG23 ILE 100 HG23 ILE 100 7.554 -16.188 -9.311 819 HD11 ILE 100 HD11 ILE 100 7.691 -12.395 -7.522 820 HD12 ILE 100 HD12 ILE 100 7.795 -11.882 -9.205 821 HD13 ILE 100 HD13 ILE 100 8.672 -13.313 -8.664 822 H ASP 101 H ASP 101 3.668 -15.685 -6.202 823 HA ASP 101 HA ASP 101 4.960 -17.853 -4.749 824 HB2 ASP 101 HB2 ASP 101 2.236 -16.580 -4.331 825 HB3 ASP 101 HB3 ASP 101 3.074 -17.622 -3.182 826 H THR 102 H THR 102 2.880 -17.764 -7.396 827 HA THR 102 HA THR 102 1.097 -19.914 -6.909 828 HB THR 102 HB THR 102 0.955 -18.456 -8.902 829 HG1 THR 102 HG1 THR 102 -0.103 -20.207 -9.421 830 HG21 THR 102 HG21 THR 102 3.338 -20.000 -9.948 831 HG22 THR 102 HG22 THR 102 3.466 -18.392 -9.238 832 HG23 THR 102 HG23 THR 102 2.527 -18.633 -10.710 833 H GLU 103 H GLU 103 1.510 -21.979 -8.585 834 HA GLU 103 HA GLU 103 3.481 -23.568 -7.231 835 HB2 GLU 103 HB2 GLU 103 2.221 -24.140 -9.928 836 HB3 GLU 103 HB3 GLU 103 2.893 -25.313 -8.794 837 HG2 GLU 103 HG2 GLU 103 1.168 -24.640 -7.125 838 HG3 GLU 103 HG3 GLU 103 0.464 -23.560 -8.329 Start of MODEL 12 1 H1 ASN 1 H1 ASN 1 -18.244 -0.286 -7.371 2 H2 ASN 1 H2 ASN 1 -18.125 -0.866 -8.964 3 H3 ASN 1 H3 ASN 1 -19.282 -1.518 -7.902 4 HA ASN 1 HA ASN 1 -19.774 1.194 -7.928 5 HB2 ASN 1 HB2 ASN 1 -18.332 1.175 -10.011 6 HB3 ASN 1 HB3 ASN 1 -19.530 0.110 -10.747 7 HD21 ASN 1 HD21 ASN 1 -21.223 1.152 -11.811 8 HD22 ASN 1 HD22 ASN 1 -21.676 2.769 -11.565 9 H GLN 2 H GLN 2 -20.829 -1.324 -7.053 10 HA GLN 2 HA GLN 2 -23.565 -1.070 -8.118 11 HB2 GLN 2 HB2 GLN 2 -23.693 -3.579 -8.508 12 HB3 GLN 2 HB3 GLN 2 -22.743 -2.687 -9.695 13 HG2 GLN 2 HG2 GLN 2 -21.465 -3.962 -7.264 14 HG3 GLN 2 HG3 GLN 2 -21.705 -4.854 -8.762 15 HE21 GLN 2 HE21 GLN 2 -19.100 -4.058 -7.568 16 HE22 GLN 2 HE22 GLN 2 -18.333 -3.077 -8.723 17 H GLY 3 H GLY 3 -22.591 -0.436 -5.590 18 HA2 GLY 3 HA2 GLY 3 -23.450 -0.743 -3.396 19 HA3 GLY 3 HA3 GLY 3 -24.194 -2.254 -3.920 20 H ASP 4 H ASP 4 -20.899 -1.915 -4.794 21 HA ASP 4 HA ASP 4 -19.742 -2.961 -2.346 22 HB2 ASP 4 HB2 ASP 4 -19.126 -5.193 -3.327 23 HB3 ASP 4 HB3 ASP 4 -20.854 -5.011 -3.023 24 H ASN 5 H ASN 5 -17.403 -3.831 -2.942 25 HA ASN 5 HA ASN 5 -16.168 -3.042 -5.384 26 HB2 ASN 5 HB2 ASN 5 -14.888 -1.031 -4.315 27 HB3 ASN 5 HB3 ASN 5 -16.528 -0.752 -4.897 28 HD21 ASN 5 HD21 ASN 5 -16.677 1.036 -3.276 29 HD22 ASN 5 HD22 ASN 5 -16.979 0.666 -1.647 30 H GLU 6 H GLU 6 -14.635 -4.624 -5.302 31 HA GLU 6 HA GLU 6 -12.604 -4.574 -3.204 32 HB2 GLU 6 HB2 GLU 6 -13.006 -6.853 -2.382 33 HB3 GLU 6 HB3 GLU 6 -14.427 -5.846 -2.094 34 HG2 GLU 6 HG2 GLU 6 -15.353 -6.727 -4.297 35 HG3 GLU 6 HG3 GLU 6 -14.036 -7.900 -4.285 36 H ILE 7 H ILE 7 -10.811 -5.997 -3.721 37 HA ILE 7 HA ILE 7 -10.905 -7.430 -6.322 38 HB ILE 7 HB ILE 7 -8.839 -6.275 -7.097 39 HG12 ILE 7 HG12 ILE 7 -9.389 -4.480 -4.709 40 HG13 ILE 7 HG13 ILE 7 -7.994 -5.539 -4.909 41 HG21 ILE 7 HG21 ILE 7 -9.949 -4.291 -7.882 42 HG22 ILE 7 HG22 ILE 7 -11.043 -4.284 -6.499 43 HG23 ILE 7 HG23 ILE 7 -11.188 -5.537 -7.732 44 HD11 ILE 7 HD11 ILE 7 -8.695 -3.087 -6.537 45 HD12 ILE 7 HD12 ILE 7 -7.467 -4.251 -7.039 46 HD13 ILE 7 HD13 ILE 7 -7.264 -3.346 -5.539 47 H SER 8 H SER 8 -8.896 -8.755 -6.617 48 HA SER 8 HA SER 8 -7.469 -9.366 -4.045 49 HB2 SER 8 HB2 SER 8 -9.226 -11.033 -4.238 50 HB3 SER 8 HB3 SER 8 -8.807 -11.337 -5.922 51 HG SER 8 HG SER 8 -7.586 -12.820 -5.039 52 H VAL 9 H VAL 9 -5.360 -9.928 -4.277 53 HA VAL 9 HA VAL 9 -4.251 -10.314 -7.035 54 HB VAL 9 HB VAL 9 -3.026 -8.452 -4.978 55 HG11 VAL 9 HG11 VAL 9 -2.460 -8.919 -7.922 56 HG12 VAL 9 HG12 VAL 9 -1.469 -9.510 -6.588 57 HG13 VAL 9 HG13 VAL 9 -1.616 -7.776 -6.878 58 HG21 VAL 9 HG21 VAL 9 -4.721 -7.851 -7.423 59 HG22 VAL 9 HG22 VAL 9 -3.772 -6.642 -6.557 60 HG23 VAL 9 HG23 VAL 9 -5.109 -7.460 -5.748 61 H GLY 10 H GLY 10 -3.878 -12.503 -6.520 62 HA2 GLY 10 HA2 GLY 10 -2.407 -14.221 -5.825 63 HA3 GLY 10 HA3 GLY 10 -1.458 -13.010 -4.958 64 H ASN 11 H ASN 11 -1.498 -13.297 -2.794 65 HA ASN 11 HA ASN 11 -3.806 -14.731 -1.543 66 HB2 ASN 11 HB2 ASN 11 -0.997 -14.132 -0.576 67 HB3 ASN 11 HB3 ASN 11 -2.237 -14.894 0.421 68 HD21 ASN 11 HD21 ASN 11 -0.434 -16.697 0.308 69 HD22 ASN 11 HD22 ASN 11 -0.582 -17.813 -0.963 70 H LEU 12 H LEU 12 -3.240 -11.647 -2.274 71 HA LEU 12 HA LEU 12 -3.982 -10.527 0.411 72 HB2 LEU 12 HB2 LEU 12 -3.106 -8.955 -2.025 73 HB3 LEU 12 HB3 LEU 12 -3.102 -8.450 -0.335 74 HG LEU 12 HG LEU 12 -1.341 -10.592 -1.565 75 HD11 LEU 12 HD11 LEU 12 -0.610 -7.911 -0.357 76 HD12 LEU 12 HD12 LEU 12 -0.787 -8.191 -2.089 77 HD13 LEU 12 HD13 LEU 12 0.470 -9.034 -1.185 78 HD21 LEU 12 HD21 LEU 12 -1.708 -9.621 1.283 79 HD22 LEU 12 HD22 LEU 12 -0.229 -10.424 0.754 80 HD23 LEU 12 HD23 LEU 12 -1.766 -11.278 0.680 81 H ARG 13 H ARG 13 -6.063 -9.976 0.679 82 HA ARG 13 HA ARG 13 -7.788 -9.494 -1.736 83 HB2 ARG 13 HB2 ARG 13 -8.337 -10.630 0.995 84 HB3 ARG 13 HB3 ARG 13 -9.640 -9.831 0.133 85 HG2 ARG 13 HG2 ARG 13 -9.814 -12.150 -0.400 86 HG3 ARG 13 HG3 ARG 13 -9.134 -11.382 -1.829 87 HD2 ARG 13 HD2 ARG 13 -7.963 -13.499 -1.215 88 HD3 ARG 13 HD3 ARG 13 -6.891 -12.105 -1.194 89 HE ARG 13 HE ARG 13 -6.615 -12.444 1.121 90 HH11 ARG 13 HH11 ARG 13 -9.458 -13.980 -0.080 91 HH12 ARG 13 HH12 ARG 13 -9.836 -14.755 1.421 92 HH21 ARG 13 HH21 ARG 13 -7.091 -13.448 3.090 93 HH22 ARG 13 HH22 ARG 13 -8.495 -14.455 3.216 94 H LEU 14 H LEU 14 -9.060 -7.606 -1.772 95 HA LEU 14 HA LEU 14 -8.534 -5.580 0.383 96 HB2 LEU 14 HB2 LEU 14 -7.112 -5.060 -1.546 97 HB3 LEU 14 HB3 LEU 14 -8.495 -5.170 -2.625 98 HG LEU 14 HG LEU 14 -9.537 -3.229 -1.526 99 HD11 LEU 14 HD11 LEU 14 -8.840 -3.307 0.728 100 HD12 LEU 14 HD12 LEU 14 -7.958 -1.927 0.088 101 HD13 LEU 14 HD13 LEU 14 -7.139 -3.475 0.299 102 HD21 LEU 14 HD21 LEU 14 -6.657 -2.872 -2.392 103 HD22 LEU 14 HD22 LEU 14 -7.776 -1.529 -2.156 104 HD23 LEU 14 HD23 LEU 14 -8.100 -2.740 -3.398 105 H ASN 15 H ASN 15 -10.445 -4.965 1.251 106 HA ASN 15 HA ASN 15 -12.918 -5.008 -0.473 107 HB2 ASN 15 HB2 ASN 15 -12.527 -5.631 2.465 108 HB3 ASN 15 HB3 ASN 15 -14.113 -5.292 1.773 109 HD21 ASN 15 HD21 ASN 15 -14.596 -7.622 2.406 110 HD22 ASN 15 HD22 ASN 15 -14.117 -8.860 1.349 111 H VAL 16 H VAL 16 -12.922 -2.854 -1.093 112 HA VAL 16 HA VAL 16 -12.372 -0.658 0.717 113 HB VAL 16 HB VAL 16 -13.865 -0.690 -1.919 114 HG11 VAL 16 HG11 VAL 16 -12.621 1.532 -0.274 115 HG12 VAL 16 HG12 VAL 16 -14.316 1.362 -0.731 116 HG13 VAL 16 HG13 VAL 16 -13.104 1.725 -1.959 117 HG21 VAL 16 HG21 VAL 16 -10.938 -0.293 -1.233 118 HG22 VAL 16 HG22 VAL 16 -11.634 0.099 -2.805 119 HG23 VAL 16 HG23 VAL 16 -11.632 -1.568 -2.232 120 H THR 17 H THR 17 -15.197 -2.506 -0.158 121 HA THR 17 HA THR 17 -17.196 -0.678 0.729 122 HB THR 17 HB THR 17 -18.172 -2.429 -0.446 123 HG1 THR 17 HG1 THR 17 -19.466 -3.302 0.966 124 HG21 THR 17 HG21 THR 17 -16.097 -4.175 0.894 125 HG22 THR 17 HG22 THR 17 -16.281 -3.815 -0.821 126 HG23 THR 17 HG23 THR 17 -17.446 -4.858 -0.008 127 H ARG 18 H ARG 18 -15.703 -3.447 2.457 128 HA ARG 18 HA ARG 18 -16.808 -2.421 5.021 129 HB2 ARG 18 HB2 ARG 18 -15.134 -4.896 4.483 130 HB3 ARG 18 HB3 ARG 18 -16.013 -4.520 5.967 131 HG2 ARG 18 HG2 ARG 18 -18.132 -4.454 4.560 132 HG3 ARG 18 HG3 ARG 18 -17.176 -5.126 3.238 133 HD2 ARG 18 HD2 ARG 18 -17.452 -6.405 5.973 134 HD3 ARG 18 HD3 ARG 18 -18.381 -6.878 4.552 135 HE ARG 18 HE ARG 18 -15.665 -6.992 3.806 136 HH11 ARG 18 HH11 ARG 18 -17.839 -8.415 6.073 137 HH12 ARG 18 HH12 ARG 18 -17.001 -9.930 6.127 138 HH21 ARG 18 HH21 ARG 18 -14.560 -8.962 3.862 139 HH22 ARG 18 HH22 ARG 18 -15.144 -10.239 4.876 140 H ARG 19 H ARG 19 -13.988 -2.269 3.135 141 HA ARG 19 HA ARG 19 -11.946 -1.221 3.499 142 HB2 ARG 19 HB2 ARG 19 -13.574 0.325 4.900 143 HB3 ARG 19 HB3 ARG 19 -12.793 -0.422 6.288 144 HG2 ARG 19 HG2 ARG 19 -11.404 1.431 5.955 145 HG3 ARG 19 HG3 ARG 19 -10.553 0.210 5.014 146 HD2 ARG 19 HD2 ARG 19 -11.580 1.032 2.950 147 HD3 ARG 19 HD3 ARG 19 -12.562 2.178 3.862 148 HE ARG 19 HE ARG 19 -9.780 2.537 3.132 149 HH11 ARG 19 HH11 ARG 19 -12.217 3.154 5.492 150 HH12 ARG 19 HH12 ARG 19 -11.465 4.598 6.084 151 HH21 ARG 19 HH21 ARG 19 -8.784 4.417 3.893 152 HH22 ARG 19 HH22 ARG 19 -9.522 5.313 5.178 153 H LEU 20 H LEU 20 -11.631 -3.760 3.707 154 HA LEU 20 HA LEU 20 -9.978 -4.223 6.132 155 HB2 LEU 20 HB2 LEU 20 -11.959 -6.202 4.973 156 HB3 LEU 20 HB3 LEU 20 -10.829 -6.549 6.277 157 HG LEU 20 HG LEU 20 -12.949 -4.380 6.423 158 HD11 LEU 20 HD11 LEU 20 -14.160 -6.006 7.895 159 HD12 LEU 20 HD12 LEU 20 -12.996 -7.242 7.419 160 HD13 LEU 20 HD13 LEU 20 -14.064 -6.525 6.212 161 HD21 LEU 20 HD21 LEU 20 -11.015 -5.609 8.410 162 HD22 LEU 20 HD22 LEU 20 -12.484 -4.796 8.948 163 HD23 LEU 20 HD23 LEU 20 -11.269 -3.905 8.043 164 H VAL 21 H VAL 21 -8.291 -5.838 5.770 165 HA VAL 21 HA VAL 21 -7.849 -6.662 2.937 166 HB VAL 21 HB VAL 21 -5.703 -5.312 4.597 167 HG11 VAL 21 HG11 VAL 21 -5.102 -6.914 2.703 168 HG12 VAL 21 HG12 VAL 21 -4.455 -5.283 2.548 169 HG13 VAL 21 HG13 VAL 21 -5.863 -5.763 1.604 170 HG21 VAL 21 HG21 VAL 21 -6.083 -3.385 2.952 171 HG22 VAL 21 HG22 VAL 21 -7.297 -3.590 4.213 172 HG23 VAL 21 HG23 VAL 21 -7.627 -4.148 2.573 173 H TRP 22 H TRP 22 -7.186 -8.775 2.919 174 HA TRP 22 HA TRP 22 -6.164 -9.976 5.469 175 HB2 TRP 22 HB2 TRP 22 -7.280 -11.272 2.969 176 HB3 TRP 22 HB3 TRP 22 -6.690 -12.144 4.377 177 HD1 TRP 22 HD1 TRP 22 -8.327 -12.521 6.298 178 HE1 TRP 22 HE1 TRP 22 -10.711 -11.716 6.851 179 HE3 TRP 22 HE3 TRP 22 -8.961 -9.038 2.615 180 HZ2 TRP 22 HZ2 TRP 22 -12.635 -9.844 5.863 181 HZ3 TRP 22 HZ3 TRP 22 -11.074 -7.763 2.446 182 HH2 TRP 22 HH2 TRP 22 -12.914 -8.162 4.061 183 H LEU 23 H LEU 23 -4.300 -11.355 5.348 184 HA LEU 23 HA LEU 23 -2.621 -11.195 2.893 185 HB2 LEU 23 HB2 LEU 23 -1.892 -9.270 4.150 186 HB3 LEU 23 HB3 LEU 23 -1.852 -10.189 5.648 187 HG LEU 23 HG LEU 23 -0.134 -11.417 3.572 188 HD11 LEU 23 HD11 LEU 23 0.386 -8.547 4.395 189 HD12 LEU 23 HD12 LEU 23 0.287 -9.200 2.761 190 HD13 LEU 23 HD13 LEU 23 1.656 -9.613 3.793 191 HD21 LEU 23 HD21 LEU 23 0.628 -10.265 6.274 192 HD22 LEU 23 HD22 LEU 23 1.461 -11.530 5.372 193 HD23 LEU 23 HD23 LEU 23 -0.119 -11.849 6.084 194 H GLY 24 H GLY 24 -2.180 -13.333 2.521 195 HA2 GLY 24 HA2 GLY 24 -1.522 -15.553 2.974 196 HA3 GLY 24 HA3 GLY 24 -0.814 -14.946 4.478 197 H GLU 25 H GLU 25 -4.136 -14.781 3.349 198 HA GLU 25 HA GLU 25 -6.147 -15.513 4.295 199 HB2 GLU 25 HB2 GLU 25 -4.532 -17.641 5.717 200 HB3 GLU 25 HB3 GLU 25 -6.216 -17.710 5.202 201 HG2 GLU 25 HG2 GLU 25 -5.394 -17.480 2.816 202 HG3 GLU 25 HG3 GLU 25 -3.758 -17.701 3.434 203 H THR 26 H THR 26 -3.693 -14.144 6.058 204 HA THR 26 HA THR 26 -5.230 -14.254 8.650 205 HB THR 26 HB THR 26 -3.183 -13.341 9.681 206 HG1 THR 26 HG1 THR 26 -2.431 -12.300 7.760 207 HG21 THR 26 HG21 THR 26 -1.716 -15.369 9.229 208 HG22 THR 26 HG22 THR 26 -2.907 -15.853 8.022 209 HG23 THR 26 HG23 THR 26 -3.372 -15.723 9.717 210 H ALA 27 H ALA 27 -6.073 -12.383 9.502 211 HA ALA 27 HA ALA 27 -6.647 -10.200 7.771 212 HB1 ALA 27 HB1 ALA 27 -7.979 -10.837 9.791 213 HB2 ALA 27 HB2 ALA 27 -7.591 -9.118 9.729 214 HB3 ALA 27 HB3 ALA 27 -6.686 -10.189 10.799 215 H LEU 28 H LEU 28 -5.176 -8.753 7.029 216 HA LEU 28 HA LEU 28 -2.678 -8.228 8.427 217 HB2 LEU 28 HB2 LEU 28 -2.991 -8.146 5.911 218 HB3 LEU 28 HB3 LEU 28 -3.915 -6.669 6.137 219 HG LEU 28 HG LEU 28 -1.928 -5.641 7.256 220 HD11 LEU 28 HD11 LEU 28 -0.756 -8.356 6.669 221 HD12 LEU 28 HD12 LEU 28 -0.560 -7.340 8.096 222 HD13 LEU 28 HD13 LEU 28 0.300 -6.945 6.615 223 HD21 LEU 28 HD21 LEU 28 -2.432 -5.423 4.785 224 HD22 LEU 28 HD22 LEU 28 -1.287 -6.733 4.498 225 HD23 LEU 28 HD23 LEU 28 -0.731 -5.212 5.194 226 H ASP 29 H ASP 29 -2.359 -6.663 9.967 227 HA ASP 29 HA ASP 29 -4.620 -4.814 10.584 228 HB2 ASP 29 HB2 ASP 29 -3.272 -4.389 12.677 229 HB3 ASP 29 HB3 ASP 29 -3.817 -6.055 12.484 230 H LEU 30 H LEU 30 -4.439 -3.015 9.311 231 HA LEU 30 HA LEU 30 -1.867 -1.481 9.435 232 HB2 LEU 30 HB2 LEU 30 -1.999 -0.923 7.120 233 HB3 LEU 30 HB3 LEU 30 -2.221 -2.661 7.213 234 HG LEU 30 HG LEU 30 -4.434 -0.601 6.887 235 HD11 LEU 30 HD11 LEU 30 -3.384 -2.722 4.995 236 HD12 LEU 30 HD12 LEU 30 -3.004 -1.003 4.891 237 HD13 LEU 30 HD13 LEU 30 -4.662 -1.554 4.657 238 HD21 LEU 30 HD21 LEU 30 -5.731 -2.849 6.399 239 HD22 LEU 30 HD22 LEU 30 -5.489 -2.347 8.067 240 HD23 LEU 30 HD23 LEU 30 -4.455 -3.589 7.364 241 H THR 31 H THR 31 -2.103 0.721 9.733 242 HA THR 31 HA THR 31 -4.489 1.648 10.949 243 HB THR 31 HB THR 31 -3.437 3.920 10.730 244 HG1 THR 31 HG1 THR 31 -1.957 4.178 9.285 245 HG21 THR 31 HG21 THR 31 -2.851 2.432 12.597 246 HG22 THR 31 HG22 THR 31 -1.443 3.358 12.078 247 HG23 THR 31 HG23 THR 31 -1.609 1.667 11.606 248 HA PRO 32 HA PRO 32 -7.297 2.771 7.655 249 HB2 PRO 32 HB2 PRO 32 -7.191 5.557 8.814 250 HB3 PRO 32 HB3 PRO 32 -8.606 4.601 8.320 251 HG2 PRO 32 HG2 PRO 32 -7.957 4.841 10.888 252 HG3 PRO 32 HG3 PRO 32 -8.564 3.304 10.241 253 HD2 PRO 32 HD2 PRO 32 -5.776 4.019 11.067 254 HD3 PRO 32 HD3 PRO 32 -6.591 2.438 11.066 255 H LYS 33 H LYS 33 -4.822 5.264 8.338 256 HA LYS 33 HA LYS 33 -4.765 6.525 5.821 257 HB2 LYS 33 HB2 LYS 33 -2.484 5.942 7.734 258 HB3 LYS 33 HB3 LYS 33 -2.371 7.049 6.366 259 HG2 LYS 33 HG2 LYS 33 -4.115 8.462 7.292 260 HG3 LYS 33 HG3 LYS 33 -4.411 7.307 8.593 261 HD2 LYS 33 HD2 LYS 33 -2.024 7.640 9.329 262 HD3 LYS 33 HD3 LYS 33 -1.898 8.937 8.140 263 HE2 LYS 33 HE2 LYS 33 -3.674 10.184 9.231 264 HE3 LYS 33 HE3 LYS 33 -3.973 8.851 10.347 265 HZ1 LYS 33 HZ1 LYS 33 -1.750 10.758 10.277 266 HZ2 LYS 33 HZ2 LYS 33 -1.439 9.189 10.839 267 HZ3 LYS 33 HZ3 LYS 33 -2.612 10.146 11.608 268 H GLU 34 H GLU 34 -2.884 3.697 6.918 269 HA GLU 34 HA GLU 34 -1.461 3.228 4.521 270 HB2 GLU 34 HB2 GLU 34 -2.518 1.298 6.598 271 HB3 GLU 34 HB3 GLU 34 -1.407 0.828 5.312 272 HG2 GLU 34 HG2 GLU 34 0.310 2.273 6.137 273 HG3 GLU 34 HG3 GLU 34 -0.805 3.095 7.229 274 H TYR 35 H TYR 35 -4.768 2.348 5.435 275 HA TYR 35 HA TYR 35 -5.300 0.563 3.282 276 HB2 TYR 35 HB2 TYR 35 -6.763 1.088 5.344 277 HB3 TYR 35 HB3 TYR 35 -7.348 2.478 4.433 278 HD1 TYR 35 HD1 TYR 35 -8.268 2.026 2.030 279 HD2 TYR 35 HD2 TYR 35 -7.744 -1.043 4.998 280 HE1 TYR 35 HE1 TYR 35 -9.840 0.557 0.795 281 HE2 TYR 35 HE2 TYR 35 -9.326 -2.501 3.759 282 HH TYR 35 HH TYR 35 -10.676 -2.679 2.035 283 H ALA 36 H ALA 36 -5.266 4.084 3.452 284 HA ALA 36 HA ALA 36 -6.484 4.466 0.832 285 HB1 ALA 36 HB1 ALA 36 -6.563 6.267 2.499 286 HB2 ALA 36 HB2 ALA 36 -5.666 6.810 1.081 287 HB3 ALA 36 HB3 ALA 36 -4.801 6.330 2.542 288 H LEU 37 H LEU 37 -3.155 4.801 2.085 289 HA LEU 37 HA LEU 37 -1.860 5.225 -0.399 290 HB2 LEU 37 HB2 LEU 37 -0.633 5.542 1.635 291 HB3 LEU 37 HB3 LEU 37 -0.977 3.908 2.187 292 HG LEU 37 HG LEU 37 0.469 4.064 -0.432 293 HD11 LEU 37 HD11 LEU 37 1.556 5.908 0.861 294 HD12 LEU 37 HD12 LEU 37 2.644 4.552 0.563 295 HD13 LEU 37 HD13 LEU 37 1.905 4.756 2.151 296 HD21 LEU 37 HD21 LEU 37 1.680 2.173 0.462 297 HD22 LEU 37 HD22 LEU 37 -0.016 1.939 0.879 298 HD23 LEU 37 HD23 LEU 37 1.116 2.513 2.097 299 H LEU 38 H LEU 38 -2.641 2.252 1.336 300 HA LEU 38 HA LEU 38 -1.543 0.418 -0.556 301 HB2 LEU 38 HB2 LEU 38 -2.262 -0.064 1.835 302 HB3 LEU 38 HB3 LEU 38 -3.925 -0.026 1.263 303 HG LEU 38 HG LEU 38 -3.113 -1.805 -0.492 304 HD11 LEU 38 HD11 LEU 38 -0.723 -1.704 -0.088 305 HD12 LEU 38 HD12 LEU 38 -1.303 -3.267 0.471 306 HD13 LEU 38 HD13 LEU 38 -0.957 -1.992 1.636 307 HD21 LEU 38 HD21 LEU 38 -3.589 -3.619 1.111 308 HD22 LEU 38 HD22 LEU 38 -4.701 -2.269 1.335 309 HD23 LEU 38 HD23 LEU 38 -3.355 -2.497 2.451 310 H SER 39 H SER 39 -4.849 1.694 -0.151 311 HA SER 39 HA SER 39 -6.182 0.238 -2.123 312 HB2 SER 39 HB2 SER 39 -7.406 1.767 -0.723 313 HB3 SER 39 HB3 SER 39 -6.492 3.143 -1.334 314 HG SER 39 HG SER 39 -7.526 2.991 -3.245 315 H ARG 40 H ARG 40 -4.113 3.106 -2.585 316 HA ARG 40 HA ARG 40 -4.652 3.172 -5.472 317 HB2 ARG 40 HB2 ARG 40 -4.041 5.190 -4.003 318 HB3 ARG 40 HB3 ARG 40 -2.396 4.562 -4.003 319 HG2 ARG 40 HG2 ARG 40 -2.218 5.925 -5.871 320 HG3 ARG 40 HG3 ARG 40 -2.832 4.483 -6.673 321 HD2 ARG 40 HD2 ARG 40 -4.257 7.052 -6.029 322 HD3 ARG 40 HD3 ARG 40 -4.323 6.076 -7.497 323 HE ARG 40 HE ARG 40 -5.494 4.750 -5.168 324 HH11 ARG 40 HH11 ARG 40 -5.937 6.942 -7.794 325 HH12 ARG 40 HH12 ARG 40 -7.652 6.711 -7.870 326 HH21 ARG 40 HH21 ARG 40 -7.731 4.436 -5.255 327 HH22 ARG 40 HH22 ARG 40 -8.668 5.292 -6.434 328 H LEU 41 H LEU 41 -1.984 2.115 -3.372 329 HA LEU 41 HA LEU 41 -0.178 1.454 -5.462 330 HB2 LEU 41 HB2 LEU 41 0.586 1.556 -3.163 331 HB3 LEU 41 HB3 LEU 41 -0.519 0.270 -2.690 332 HG LEU 41 HG LEU 41 0.701 -1.355 -4.017 333 HD11 LEU 41 HD11 LEU 41 2.193 1.077 -5.020 334 HD12 LEU 41 HD12 LEU 41 1.404 -0.193 -5.957 335 HD13 LEU 41 HD13 LEU 41 2.908 -0.533 -5.111 336 HD21 LEU 41 HD21 LEU 41 1.612 -1.037 -1.814 337 HD22 LEU 41 HD22 LEU 41 2.465 0.425 -2.310 338 HD23 LEU 41 HD23 LEU 41 2.984 -1.145 -2.916 339 H MET 42 H MET 42 -2.744 -0.471 -3.895 340 HA MET 42 HA MET 42 -2.164 -2.852 -5.439 341 HB2 MET 42 HB2 MET 42 -4.562 -1.969 -3.815 342 HB3 MET 42 HB3 MET 42 -4.506 -3.521 -4.652 343 HG2 MET 42 HG2 MET 42 -2.507 -4.162 -3.403 344 HG3 MET 42 HG3 MET 42 -2.458 -2.586 -2.622 345 HE1 MET 42 HE1 MET 42 -4.877 -5.621 -3.340 346 HE2 MET 42 HE2 MET 42 -5.036 -6.202 -1.677 347 HE3 MET 42 HE3 MET 42 -3.448 -6.106 -2.430 348 H MET 43 H MET 43 -4.362 -0.106 -5.817 349 HA MET 43 HA MET 43 -5.965 -1.023 -7.934 350 HB2 MET 43 HB2 MET 43 -6.259 1.185 -6.841 351 HB3 MET 43 HB3 MET 43 -4.782 1.755 -7.621 352 HG2 MET 43 HG2 MET 43 -5.758 1.494 -9.816 353 HG3 MET 43 HG3 MET 43 -7.177 0.692 -9.141 354 HE1 MET 43 HE1 MET 43 -8.119 2.545 -10.896 355 HE2 MET 43 HE2 MET 43 -9.099 3.751 -10.051 356 HE3 MET 43 HE3 MET 43 -9.215 2.050 -9.609 357 H LYS 44 H LYS 44 -2.615 -0.119 -7.877 358 HA LYS 44 HA LYS 44 -2.377 -0.659 -10.830 359 HB2 LYS 44 HB2 LYS 44 -0.934 1.252 -8.987 360 HB3 LYS 44 HB3 LYS 44 -0.194 0.734 -10.501 361 HG2 LYS 44 HG2 LYS 44 -3.020 1.816 -10.516 362 HG3 LYS 44 HG3 LYS 44 -1.662 2.935 -10.448 363 HD2 LYS 44 HD2 LYS 44 -0.719 1.872 -12.501 364 HD3 LYS 44 HD3 LYS 44 -2.150 0.848 -12.598 365 HE2 LYS 44 HE2 LYS 44 -2.252 3.873 -12.561 366 HE3 LYS 44 HE3 LYS 44 -2.273 2.910 -14.037 367 HZ1 LYS 44 HZ1 LYS 44 -4.508 3.378 -13.438 368 HZ2 LYS 44 HZ2 LYS 44 -4.264 2.871 -11.839 369 HZ3 LYS 44 HZ3 LYS 44 -4.235 1.735 -13.102 370 H ALA 45 H ALA 45 -2.412 -2.787 -9.033 371 HA ALA 45 HA ALA 45 0.214 -3.485 -8.087 372 HB1 ALA 45 HB1 ALA 45 -0.790 -5.787 -7.870 373 HB2 ALA 45 HB2 ALA 45 -2.259 -5.148 -8.608 374 HB3 ALA 45 HB3 ALA 45 -1.706 -4.518 -7.057 375 H GLY 46 H GLY 46 1.779 -4.738 -9.042 376 HA2 GLY 46 HA2 GLY 46 2.681 -6.253 -10.696 377 HA3 GLY 46 HA3 GLY 46 1.288 -5.933 -11.728 378 H SER 47 H SER 47 1.692 -2.952 -11.090 379 HA SER 47 HA SER 47 3.930 -2.472 -13.042 380 HB2 SER 47 HB2 SER 47 2.068 -1.616 -14.160 381 HB3 SER 47 HB3 SER 47 1.216 -1.258 -12.662 382 HG SER 47 HG SER 47 1.896 0.698 -13.014 383 HA PRO 48 HA PRO 48 5.839 -0.190 -9.736 384 HB2 PRO 48 HB2 PRO 48 7.366 1.626 -11.082 385 HB3 PRO 48 HB3 PRO 48 7.732 -0.113 -11.103 386 HG2 PRO 48 HG2 PRO 48 6.278 1.528 -13.148 387 HG3 PRO 48 HG3 PRO 48 7.554 0.317 -13.387 388 HD2 PRO 48 HD2 PRO 48 4.914 -0.285 -13.740 389 HD3 PRO 48 HD3 PRO 48 6.081 -1.483 -13.134 390 H VAL 49 H VAL 49 4.695 1.194 -8.438 391 HA VAL 49 HA VAL 49 3.222 3.459 -9.659 392 HB VAL 49 HB VAL 49 3.184 2.348 -6.844 393 HG11 VAL 49 HG11 VAL 49 1.036 3.731 -6.758 394 HG12 VAL 49 HG12 VAL 49 1.590 4.519 -8.234 395 HG13 VAL 49 HG13 VAL 49 2.538 4.654 -6.754 396 HG21 VAL 49 HG21 VAL 49 1.292 2.046 -9.193 397 HG22 VAL 49 HG22 VAL 49 0.940 1.505 -7.553 398 HG23 VAL 49 HG23 VAL 49 2.262 0.771 -8.458 399 H HIS 50 H HIS 50 3.860 5.565 -9.368 400 HA HIS 50 HA HIS 50 6.448 6.121 -8.223 401 HB2 HIS 50 HB2 HIS 50 5.311 7.467 -10.052 402 HB3 HIS 50 HB3 HIS 50 4.251 8.124 -8.808 403 HD1 HIS 50 HD1 HIS 50 5.679 10.336 -9.887 404 HD2 HIS 50 HD2 HIS 50 7.628 7.850 -7.157 405 HE1 HIS 50 HE1 HIS 50 7.627 11.666 -8.964 406 HE2 HIS 50 HE2 HIS 50 8.815 10.165 -7.301 407 H ARG 51 H ARG 51 6.890 6.414 -6.106 408 HA ARG 51 HA ARG 51 5.069 6.102 -4.001 409 HB2 ARG 51 HB2 ARG 51 7.613 6.054 -3.870 410 HB3 ARG 51 HB3 ARG 51 7.563 7.816 -3.843 411 HG2 ARG 51 HG2 ARG 51 6.090 7.717 -1.838 412 HG3 ARG 51 HG3 ARG 51 6.234 5.958 -1.846 413 HD2 ARG 51 HD2 ARG 51 8.438 7.988 -1.416 414 HD3 ARG 51 HD3 ARG 51 7.862 6.768 -0.281 415 HE ARG 51 HE ARG 51 8.729 5.315 -2.495 416 HH11 ARG 51 HH11 ARG 51 10.019 7.671 -0.332 417 HH12 ARG 51 HH12 ARG 51 11.640 7.073 -0.436 418 HH21 ARG 51 HH21 ARG 51 10.841 4.521 -2.643 419 HH22 ARG 51 HH22 ARG 51 12.106 5.289 -1.744 420 H GLU 52 H GLU 52 5.605 8.802 -6.040 421 HA GLU 52 HA GLU 52 4.796 10.933 -4.338 422 HB2 GLU 52 HB2 GLU 52 5.776 11.166 -6.646 423 HB3 GLU 52 HB3 GLU 52 4.216 10.665 -7.300 424 HG2 GLU 52 HG2 GLU 52 3.115 12.559 -6.248 425 HG3 GLU 52 HG3 GLU 52 4.617 13.029 -5.450 426 H ILE 53 H ILE 53 2.805 9.087 -6.698 427 HA ILE 53 HA ILE 53 0.316 10.190 -5.935 428 HB ILE 53 HB ILE 53 0.719 7.320 -6.818 429 HG12 ILE 53 HG12 ILE 53 0.650 9.859 -8.484 430 HG13 ILE 53 HG13 ILE 53 2.030 8.781 -8.295 431 HG21 ILE 53 HG21 ILE 53 -1.576 8.188 -6.097 432 HG22 ILE 53 HG22 ILE 53 -1.488 7.530 -7.729 433 HG23 ILE 53 HG23 ILE 53 -1.499 9.276 -7.483 434 HD11 ILE 53 HD11 ILE 53 1.011 8.186 -10.376 435 HD12 ILE 53 HD12 ILE 53 -0.602 8.188 -9.662 436 HD13 ILE 53 HD13 ILE 53 0.552 6.925 -9.231 437 H LEU 54 H LEU 54 2.241 7.656 -4.429 438 HA LEU 54 HA LEU 54 0.139 6.669 -2.702 439 HB2 LEU 54 HB2 LEU 54 3.133 6.646 -2.192 440 HB3 LEU 54 HB3 LEU 54 1.935 5.602 -1.445 441 HG LEU 54 HG LEU 54 2.774 5.625 -4.355 442 HD11 LEU 54 HD11 LEU 54 4.189 4.436 -2.583 443 HD12 LEU 54 HD12 LEU 54 3.620 3.427 -3.912 444 HD13 LEU 54 HD13 LEU 54 2.815 3.356 -2.346 445 HD21 LEU 54 HD21 LEU 54 0.421 4.317 -2.970 446 HD22 LEU 54 HD22 LEU 54 1.144 3.576 -4.400 447 HD23 LEU 54 HD23 LEU 54 0.453 5.192 -4.502 448 H TYR 55 H TYR 55 2.441 9.326 -2.504 449 HA TYR 55 HA TYR 55 1.880 9.905 0.293 450 HB2 TYR 55 HB2 TYR 55 3.964 10.621 -1.005 451 HB3 TYR 55 HB3 TYR 55 2.955 11.838 -1.784 452 HD1 TYR 55 HD1 TYR 55 3.719 10.521 1.653 453 HD2 TYR 55 HD2 TYR 55 2.843 13.967 -0.765 454 HE1 TYR 55 HE1 TYR 55 4.013 11.987 3.630 455 HE2 TYR 55 HE2 TYR 55 3.140 15.428 1.216 456 HH TYR 55 HH TYR 55 3.423 14.148 4.419 457 H ASN 56 H ASN 56 0.633 10.944 -2.827 458 HA ASN 56 HA ASN 56 -0.993 13.103 -1.941 459 HB2 ASN 56 HB2 ASN 56 -1.384 11.171 -4.245 460 HB3 ASN 56 HB3 ASN 56 -2.317 12.650 -4.018 461 HD21 ASN 56 HD21 ASN 56 0.942 11.411 -4.754 462 HD22 ASN 56 HD22 ASN 56 1.552 12.882 -5.340 463 H ASP 57 H ASP 57 -1.300 9.687 -1.602 464 HA ASP 57 HA ASP 57 -4.152 9.584 -1.205 465 HB2 ASP 57 HB2 ASP 57 -1.983 7.695 -0.257 466 HB3 ASP 57 HB3 ASP 57 -3.711 7.345 -0.253 467 H ILE 58 H ILE 58 -1.429 9.451 1.092 468 HA ILE 58 HA ILE 58 -3.195 9.777 3.389 469 HB ILE 58 HB ILE 58 -0.184 10.107 3.313 470 HG12 ILE 58 HG12 ILE 58 -1.813 7.578 3.744 471 HG13 ILE 58 HG13 ILE 58 -0.903 7.945 2.281 472 HG21 ILE 58 HG21 ILE 58 -0.344 9.448 5.671 473 HG22 ILE 58 HG22 ILE 58 -2.088 9.241 5.513 474 HG23 ILE 58 HG23 ILE 58 -1.375 10.846 5.375 475 HD11 ILE 58 HD11 ILE 58 1.165 8.148 3.706 476 HD12 ILE 58 HD12 ILE 58 0.476 6.524 3.662 477 HD13 ILE 58 HD13 ILE 58 0.214 7.555 5.068 478 H TYR 59 H TYR 59 -1.369 11.932 1.316 479 HA TYR 59 HA TYR 59 -2.481 14.259 2.826 480 HB2 TYR 59 HB2 TYR 59 0.439 13.851 2.115 481 HB3 TYR 59 HB3 TYR 59 -0.246 15.404 2.591 482 HD1 TYR 59 HD1 TYR 59 -1.398 15.605 4.848 483 HD2 TYR 59 HD2 TYR 59 1.009 12.215 3.762 484 HE1 TYR 59 HE1 TYR 59 -1.186 14.988 7.240 485 HE2 TYR 59 HE2 TYR 59 1.220 11.599 6.154 486 HH TYR 59 HH TYR 59 -0.013 13.699 8.708 487 H SER 60 H SER 60 -1.273 16.263 1.344 488 HA SER 60 HA SER 60 -1.149 15.920 -1.455 489 HB2 SER 60 HB2 SER 60 -3.387 15.267 -1.696 490 HB3 SER 60 HB3 SER 60 -3.916 16.237 -0.324 491 HG SER 60 HG SER 60 -2.835 17.463 -2.616 492 H TRP 61 H TRP 61 -2.104 17.936 1.260 493 HA TRP 61 HA TRP 61 -1.733 20.449 -0.187 494 HB2 TRP 61 HB2 TRP 61 -1.999 19.821 2.767 495 HB3 TRP 61 HB3 TRP 61 -1.911 21.454 2.107 496 HD1 TRP 61 HD1 TRP 61 -4.080 18.274 1.783 497 HE1 TRP 61 HE1 TRP 61 -6.486 18.997 1.210 498 HE3 TRP 61 HE3 TRP 61 -3.401 23.315 1.323 499 HZ2 TRP 61 HZ2 TRP 61 -7.933 21.397 0.633 500 HZ3 TRP 61 HZ3 TRP 61 -5.308 24.794 0.761 501 HH2 TRP 61 HH2 TRP 61 -7.571 23.843 0.416 502 H ASP 62 H ASP 62 0.339 18.176 1.302 503 HA ASP 62 HA ASP 62 2.605 18.221 1.872 504 HB2 ASP 62 HB2 ASP 62 2.462 20.308 -0.304 505 HB3 ASP 62 HB3 ASP 62 3.974 19.694 0.361 506 H ASN 63 H ASN 63 2.788 18.966 3.950 507 HA ASN 63 HA ASN 63 2.329 21.732 4.691 508 HB2 ASN 63 HB2 ASN 63 3.647 19.427 6.154 509 HB3 ASN 63 HB3 ASN 63 3.354 21.009 6.878 510 HD21 ASN 63 HD21 ASN 63 2.038 17.997 6.813 511 HD22 ASN 63 HD22 ASN 63 0.394 18.384 6.980 512 H GLU 64 H GLU 64 5.305 20.233 5.755 513 HA GLU 64 HA GLU 64 7.027 21.694 3.923 514 HB2 GLU 64 HB2 GLU 64 6.129 23.485 5.502 515 HB3 GLU 64 HB3 GLU 64 6.998 22.660 6.796 516 HG2 GLU 64 HG2 GLU 64 9.094 22.865 5.382 517 HG3 GLU 64 HG3 GLU 64 8.174 23.911 4.301 518 HA PRO 65 HA PRO 65 8.858 18.190 6.458 519 HB2 PRO 65 HB2 PRO 65 9.036 16.278 4.545 520 HB3 PRO 65 HB3 PRO 65 7.517 16.578 5.419 521 HG2 PRO 65 HG2 PRO 65 8.343 17.527 2.697 522 HG3 PRO 65 HG3 PRO 65 6.794 16.836 3.220 523 HD2 PRO 65 HD2 PRO 65 7.209 19.549 2.956 524 HD3 PRO 65 HD3 PRO 65 6.041 18.859 4.105 525 H ALA 66 H ALA 66 10.968 18.856 6.704 526 HA ALA 66 HA ALA 66 12.602 19.739 4.473 527 HB1 ALA 66 HB1 ALA 66 12.984 20.681 6.684 528 HB2 ALA 66 HB2 ALA 66 14.426 19.795 6.191 529 HB3 ALA 66 HB3 ALA 66 13.305 19.079 7.347 530 H THR 67 H THR 67 12.625 16.838 6.562 531 HA THR 67 HA THR 67 13.572 15.186 4.363 532 HB THR 67 HB THR 67 15.458 15.767 6.669 533 HG1 THR 67 HG1 THR 67 15.512 16.322 3.896 534 HG21 THR 67 HG21 THR 67 15.567 13.781 4.388 535 HG22 THR 67 HG22 THR 67 15.634 13.437 6.116 536 HG23 THR 67 HG23 THR 67 16.985 14.249 5.326 537 H ASN 68 H ASN 68 14.483 14.644 7.722 538 HA ASN 68 HA ASN 68 13.162 12.116 7.843 539 HB2 ASN 68 HB2 ASN 68 13.527 12.331 10.330 540 HB3 ASN 68 HB3 ASN 68 14.981 12.587 9.366 541 HD21 ASN 68 HD21 ASN 68 15.178 13.728 11.805 542 HD22 ASN 68 HD22 ASN 68 14.915 15.404 11.751 543 H THR 69 H THR 69 10.967 12.124 7.437 544 HA THR 69 HA THR 69 9.207 13.157 9.504 545 HB THR 69 HB THR 69 9.107 14.433 6.752 546 HG1 THR 69 HG1 THR 69 9.918 15.266 9.306 547 HG21 THR 69 HG21 THR 69 7.272 15.798 7.856 548 HG22 THR 69 HG22 THR 69 7.282 14.610 9.160 549 HG23 THR 69 HG23 THR 69 6.857 14.117 7.521 550 H LEU 70 H LEU 70 8.283 12.942 6.110 551 HA LEU 70 HA LEU 70 6.299 10.938 6.681 552 HB2 LEU 70 HB2 LEU 70 6.007 10.849 4.216 553 HB3 LEU 70 HB3 LEU 70 5.994 12.495 4.841 554 HG LEU 70 HG LEU 70 8.690 12.194 4.296 555 HD11 LEU 70 HD11 LEU 70 8.858 11.171 2.039 556 HD12 LEU 70 HD12 LEU 70 7.185 10.630 2.172 557 HD13 LEU 70 HD13 LEU 70 8.410 9.985 3.262 558 HD21 LEU 70 HD21 LEU 70 7.312 14.094 3.585 559 HD22 LEU 70 HD22 LEU 70 6.530 13.093 2.362 560 HD23 LEU 70 HD23 LEU 70 8.244 13.480 2.219 561 H GLU 71 H GLU 71 9.624 10.789 5.478 562 HA GLU 71 HA GLU 71 9.587 8.117 4.527 563 HB2 GLU 71 HB2 GLU 71 11.842 9.658 5.842 564 HB3 GLU 71 HB3 GLU 71 12.037 8.162 4.928 565 HG2 GLU 71 HG2 GLU 71 10.769 10.660 3.778 566 HG3 GLU 71 HG3 GLU 71 12.479 10.266 3.594 567 H VAL 72 H VAL 72 9.833 9.392 7.808 568 HA VAL 72 HA VAL 72 10.593 6.847 8.975 569 HB VAL 72 HB VAL 72 9.229 9.160 10.352 570 HG11 VAL 72 HG11 VAL 72 10.465 8.307 12.320 571 HG12 VAL 72 HG12 VAL 72 11.128 7.008 11.329 572 HG13 VAL 72 HG13 VAL 72 9.396 7.073 11.651 573 HG21 VAL 72 HG21 VAL 72 11.522 9.984 10.834 574 HG22 VAL 72 HG22 VAL 72 11.179 9.989 9.104 575 HG23 VAL 72 HG23 VAL 72 12.179 8.714 9.803 576 H HIS 73 H HIS 73 7.535 8.631 8.669 577 HA HIS 73 HA HIS 73 5.873 6.762 10.017 578 HB2 HIS 73 HB2 HIS 73 5.120 8.334 7.531 579 HB3 HIS 73 HB3 HIS 73 4.026 7.726 8.772 580 HD1 HIS 73 HD1 HIS 73 6.899 8.857 10.533 581 HD2 HIS 73 HD2 HIS 73 3.653 10.801 8.775 582 HE1 HIS 73 HE1 HIS 73 6.786 11.162 11.584 583 HE2 HIS 73 HE2 HIS 73 4.813 12.351 10.522 584 H ILE 74 H ILE 74 7.134 6.884 6.749 585 HA ILE 74 HA ILE 74 5.694 4.580 5.785 586 HB ILE 74 HB ILE 74 8.263 5.873 4.826 587 HG12 ILE 74 HG12 ILE 74 5.453 5.862 3.674 588 HG13 ILE 74 HG13 ILE 74 6.098 7.159 4.676 589 HG21 ILE 74 HG21 ILE 74 7.766 4.524 2.707 590 HG22 ILE 74 HG22 ILE 74 6.638 3.583 3.678 591 HG23 ILE 74 HG23 ILE 74 8.355 3.585 4.076 592 HD11 ILE 74 HD11 ILE 74 7.026 6.290 1.935 593 HD12 ILE 74 HD12 ILE 74 8.007 7.322 2.972 594 HD13 ILE 74 HD13 ILE 74 6.426 7.873 2.428 595 H HIS 75 H HIS 75 8.870 5.013 7.329 596 HA HIS 75 HA HIS 75 9.710 2.297 7.052 597 HB2 HIS 75 HB2 HIS 75 10.312 4.346 9.206 598 HB3 HIS 75 HB3 HIS 75 11.129 2.787 9.082 599 HD1 HIS 75 HD1 HIS 75 13.242 4.572 8.719 600 HD2 HIS 75 HD2 HIS 75 10.548 4.106 5.568 601 HE1 HIS 75 HE1 HIS 75 14.408 5.440 6.641 602 HE2 HIS 75 HE2 HIS 75 12.777 5.161 4.719 603 H ASN 76 H ASN 76 7.627 3.908 9.384 604 HA ASN 76 HA ASN 76 7.369 1.588 11.119 605 HB2 ASN 76 HB2 ASN 76 6.957 3.892 11.938 606 HB3 ASN 76 HB3 ASN 76 5.579 4.022 10.843 607 HD21 ASN 76 HD21 ASN 76 6.447 1.067 12.642 608 HD22 ASN 76 HD22 ASN 76 5.058 1.055 13.618 609 H LEU 77 H LEU 77 5.443 3.017 8.503 610 HA LEU 77 HA LEU 77 3.313 1.089 8.712 611 HB2 LEU 77 HB2 LEU 77 2.362 2.645 7.334 612 HB3 LEU 77 HB3 LEU 77 3.912 3.448 7.179 613 HG LEU 77 HG LEU 77 4.471 1.922 5.277 614 HD11 LEU 77 HD11 LEU 77 1.927 1.005 4.445 615 HD12 LEU 77 HD12 LEU 77 2.006 0.583 6.153 616 HD13 LEU 77 HD13 LEU 77 3.253 0.020 5.047 617 HD21 LEU 77 HD21 LEU 77 3.625 4.110 4.769 618 HD22 LEU 77 HD22 LEU 77 1.969 3.623 5.128 619 HD23 LEU 77 HD23 LEU 77 2.788 2.986 3.703 620 H ARG 78 H ARG 78 6.222 1.284 6.697 621 HA ARG 78 HA ARG 78 5.827 -0.888 4.996 622 HB2 ARG 78 HB2 ARG 78 7.797 0.686 5.027 623 HB3 ARG 78 HB3 ARG 78 8.444 -0.245 6.376 624 HG2 ARG 78 HG2 ARG 78 8.484 -2.269 4.998 625 HG3 ARG 78 HG3 ARG 78 7.764 -1.388 3.650 626 HD2 ARG 78 HD2 ARG 78 9.702 0.048 3.466 627 HD3 ARG 78 HD3 ARG 78 10.396 -0.624 4.941 628 HE ARG 78 HE ARG 78 11.172 -2.453 3.670 629 HH11 ARG 78 HH11 ARG 78 8.670 -0.720 2.046 630 HH12 ARG 78 HH12 ARG 78 8.839 -1.603 0.567 631 HH21 ARG 78 HH21 ARG 78 11.407 -3.610 1.743 632 HH22 ARG 78 HH22 ARG 78 10.387 -3.238 0.394 633 H GLU 79 H GLU 79 7.302 -1.029 8.272 634 HA GLU 79 HA GLU 79 7.627 -3.873 8.242 635 HB2 GLU 79 HB2 GLU 79 7.766 -3.628 10.755 636 HB3 GLU 79 HB3 GLU 79 8.866 -2.590 9.848 637 HG2 GLU 79 HG2 GLU 79 7.411 -0.687 10.126 638 HG3 GLU 79 HG3 GLU 79 6.144 -1.694 10.828 639 H LYS 80 H LYS 80 4.825 -1.888 8.939 640 HA LYS 80 HA LYS 80 3.373 -3.922 10.375 641 HB2 LYS 80 HB2 LYS 80 2.507 -1.412 8.927 642 HB3 LYS 80 HB3 LYS 80 1.360 -2.470 9.749 643 HG2 LYS 80 HG2 LYS 80 2.626 -2.195 11.857 644 HG3 LYS 80 HG3 LYS 80 3.748 -1.114 11.035 645 HD2 LYS 80 HD2 LYS 80 2.000 0.494 10.605 646 HD3 LYS 80 HD3 LYS 80 0.764 -0.623 11.186 647 HE2 LYS 80 HE2 LYS 80 3.027 0.435 12.902 648 HE3 LYS 80 HE3 LYS 80 1.408 1.131 12.870 649 HZ1 LYS 80 HZ1 LYS 80 1.188 -0.337 14.577 650 HZ2 LYS 80 HZ2 LYS 80 2.307 -1.441 13.941 651 HZ3 LYS 80 HZ3 LYS 80 0.741 -1.353 13.290 652 H ILE 81 H ILE 81 3.348 -2.877 6.958 653 HA ILE 81 HA ILE 81 1.378 -4.867 6.198 654 HB ILE 81 HB ILE 81 2.100 -4.248 3.854 655 HG12 ILE 81 HG12 ILE 81 3.853 -2.255 5.321 656 HG13 ILE 81 HG13 ILE 81 4.462 -3.692 4.502 657 HG21 ILE 81 HG21 ILE 81 0.292 -3.056 5.091 658 HG22 ILE 81 HG22 ILE 81 1.153 -1.998 3.974 659 HG23 ILE 81 HG23 ILE 81 1.495 -1.920 5.701 660 HD11 ILE 81 HD11 ILE 81 3.455 -2.886 2.379 661 HD12 ILE 81 HD12 ILE 81 4.645 -1.752 3.017 662 HD13 ILE 81 HD13 ILE 81 2.922 -1.424 3.205 663 H GLY 82 H GLY 82 4.831 -4.876 6.589 664 HA2 GLY 82 HA2 GLY 82 6.252 -6.775 6.560 665 HA3 GLY 82 HA3 GLY 82 4.909 -7.747 5.953 666 H LYS 83 H LYS 83 7.394 -5.440 5.041 667 HA LYS 83 HA LYS 83 6.980 -5.042 2.342 668 HB2 LYS 83 HB2 LYS 83 9.498 -5.061 2.111 669 HB3 LYS 83 HB3 LYS 83 8.886 -4.048 3.420 670 HG2 LYS 83 HG2 LYS 83 9.342 -5.818 5.046 671 HG3 LYS 83 HG3 LYS 83 9.878 -6.894 3.755 672 HD2 LYS 83 HD2 LYS 83 11.637 -5.173 3.175 673 HD3 LYS 83 HD3 LYS 83 11.182 -4.310 4.645 674 HE2 LYS 83 HE2 LYS 83 13.055 -5.720 5.202 675 HE3 LYS 83 HE3 LYS 83 11.619 -6.450 5.923 676 HZ1 LYS 83 HZ1 LYS 83 13.367 -7.505 3.951 677 HZ2 LYS 83 HZ2 LYS 83 11.772 -7.473 3.374 678 HZ3 LYS 83 HZ3 LYS 83 12.135 -8.284 4.822 679 H SER 84 H SER 84 7.561 -8.068 3.865 680 HA SER 84 HA SER 84 8.827 -9.547 1.834 681 HB2 SER 84 HB2 SER 84 7.588 -11.516 2.789 682 HB3 SER 84 HB3 SER 84 8.412 -10.541 4.000 683 HG SER 84 HG SER 84 6.036 -11.191 4.238 684 H ARG 85 H ARG 85 5.312 -8.971 2.281 685 HA ARG 85 HA ARG 85 4.693 -10.298 -0.260 686 HB2 ARG 85 HB2 ARG 85 3.127 -8.876 1.876 687 HB3 ARG 85 HB3 ARG 85 2.375 -9.064 0.294 688 HG2 ARG 85 HG2 ARG 85 1.811 -10.933 1.842 689 HG3 ARG 85 HG3 ARG 85 2.656 -11.485 0.399 690 HD2 ARG 85 HD2 ARG 85 4.319 -10.814 2.810 691 HD3 ARG 85 HD3 ARG 85 3.397 -12.318 2.829 692 HE ARG 85 HE ARG 85 4.908 -11.981 0.364 693 HH11 ARG 85 HH11 ARG 85 4.966 -12.952 3.671 694 HH12 ARG 85 HH12 ARG 85 6.289 -14.050 3.463 695 HH21 ARG 85 HH21 ARG 85 6.636 -13.407 0.074 696 HH22 ARG 85 HH22 ARG 85 7.235 -14.307 1.427 697 H ILE 86 H ILE 86 6.313 -7.555 0.154 698 HA ILE 86 HA ILE 86 5.096 -6.265 -2.268 699 HB ILE 86 HB ILE 86 6.150 -4.777 0.160 700 HG12 ILE 86 HG12 ILE 86 3.551 -3.979 -0.033 701 HG13 ILE 86 HG13 ILE 86 3.375 -5.612 -0.669 702 HG21 ILE 86 HG21 ILE 86 6.596 -3.481 -1.777 703 HG22 ILE 86 HG22 ILE 86 5.096 -2.824 -1.128 704 HG23 ILE 86 HG23 ILE 86 5.053 -3.905 -2.519 705 HD11 ILE 86 HD11 ILE 86 4.402 -6.526 1.381 706 HD12 ILE 86 HD12 ILE 86 3.012 -5.522 1.782 707 HD13 ILE 86 HD13 ILE 86 4.645 -4.896 1.995 708 H ARG 87 H ARG 87 6.666 -4.953 -3.466 709 HA ARG 87 HA ARG 87 9.542 -5.495 -2.845 710 HB2 ARG 87 HB2 ARG 87 8.114 -6.141 -5.440 711 HB3 ARG 87 HB3 ARG 87 9.870 -6.053 -5.291 712 HG2 ARG 87 HG2 ARG 87 9.785 -7.785 -3.511 713 HG3 ARG 87 HG3 ARG 87 8.039 -7.905 -3.736 714 HD2 ARG 87 HD2 ARG 87 8.489 -8.450 -6.169 715 HD3 ARG 87 HD3 ARG 87 10.198 -8.566 -5.754 716 HE ARG 87 HE ARG 87 8.631 -10.215 -3.989 717 HH11 ARG 87 HH11 ARG 87 9.868 -9.933 -7.197 718 HH12 ARG 87 HH12 ARG 87 9.930 -11.642 -7.465 719 HH21 ARG 87 HH21 ARG 87 8.707 -12.448 -4.322 720 HH22 ARG 87 HH22 ARG 87 9.274 -13.067 -5.837 721 H THR 88 H THR 88 10.640 -3.613 -2.985 722 HA THR 88 HA THR 88 9.397 -1.274 -4.294 723 HB THR 88 HB THR 88 10.954 0.026 -3.110 724 HG1 THR 88 HG1 THR 88 12.901 -1.121 -2.269 725 HG21 THR 88 HG21 THR 88 10.972 -0.798 -0.865 726 HG22 THR 88 HG22 THR 88 10.929 -2.475 -1.408 727 HG23 THR 88 HG23 THR 88 9.511 -1.447 -1.608 728 H VAL 89 H VAL 89 10.122 -0.365 -6.198 729 HA VAL 89 HA VAL 89 12.167 -1.907 -7.741 730 HB VAL 89 HB VAL 89 10.207 0.190 -8.709 731 HG11 VAL 89 HG11 VAL 89 10.700 -0.915 -10.914 732 HG12 VAL 89 HG12 VAL 89 11.962 -1.848 -10.110 733 HG13 VAL 89 HG13 VAL 89 12.093 -0.092 -10.210 734 HG21 VAL 89 HG21 VAL 89 8.957 -1.819 -9.578 735 HG22 VAL 89 HG22 VAL 89 8.961 -1.693 -7.818 736 HG23 VAL 89 HG23 VAL 89 10.035 -2.839 -8.624 737 H ARG 90 H ARG 90 14.162 -1.079 -7.870 738 HA ARG 90 HA ARG 90 15.933 0.447 -7.730 739 HB2 ARG 90 HB2 ARG 90 14.656 0.931 -9.953 740 HB3 ARG 90 HB3 ARG 90 14.091 2.389 -9.141 741 HG2 ARG 90 HG2 ARG 90 16.397 3.125 -8.780 742 HG3 ARG 90 HG3 ARG 90 17.013 1.621 -9.465 743 HD2 ARG 90 HD2 ARG 90 17.041 3.511 -11.099 744 HD3 ARG 90 HD3 ARG 90 16.045 2.157 -11.633 745 HE ARG 90 HE ARG 90 14.167 3.575 -11.500 746 HH11 ARG 90 HH11 ARG 90 16.826 4.782 -9.665 747 HH12 ARG 90 HH12 ARG 90 16.051 6.283 -9.282 748 HH21 ARG 90 HH21 ARG 90 13.141 5.527 -11.009 749 HH22 ARG 90 HH22 ARG 90 13.965 6.705 -10.042 750 H GLY 91 H GLY 91 13.926 0.550 -5.507 751 HA2 GLY 91 HA2 GLY 91 13.363 1.947 -3.694 752 HA3 GLY 91 HA3 GLY 91 14.968 2.626 -3.961 753 H PHE 92 H PHE 92 11.989 2.745 -5.912 754 HA PHE 92 HA PHE 92 11.925 5.704 -5.644 755 HB2 PHE 92 HB2 PHE 92 13.037 5.452 -7.732 756 HB3 PHE 92 HB3 PHE 92 12.048 4.067 -8.183 757 HD1 PHE 92 HD1 PHE 92 12.054 7.756 -7.733 758 HD2 PHE 92 HD2 PHE 92 9.887 4.353 -9.210 759 HE1 PHE 92 HE1 PHE 92 10.461 9.268 -8.886 760 HE2 PHE 92 HE2 PHE 92 8.295 5.864 -10.361 761 HZ PHE 92 HZ PHE 92 8.579 8.321 -10.199 762 H GLY 93 H GLY 93 10.145 3.220 -7.492 763 HA2 GLY 93 HA2 GLY 93 7.594 4.296 -6.361 764 HA3 GLY 93 HA3 GLY 93 7.745 3.304 -7.813 765 H TYR 94 H TYR 94 6.210 1.793 -7.001 766 HA TYR 94 HA TYR 94 7.404 -0.232 -5.201 767 HB2 TYR 94 HB2 TYR 94 4.943 1.399 -4.566 768 HB3 TYR 94 HB3 TYR 94 5.002 -0.284 -4.043 769 HD1 TYR 94 HD1 TYR 94 6.678 3.018 -3.774 770 HD2 TYR 94 HD2 TYR 94 6.432 -0.989 -2.247 771 HE1 TYR 94 HE1 TYR 94 8.101 3.661 -1.852 772 HE2 TYR 94 HE2 TYR 94 7.851 -0.346 -0.325 773 HH TYR 94 HH TYR 94 8.332 1.989 0.907 774 H MET 95 H MET 95 6.243 -2.291 -5.388 775 HA MET 95 HA MET 95 4.134 -2.522 -7.419 776 HB2 MET 95 HB2 MET 95 6.116 -2.334 -8.851 777 HB3 MET 95 HB3 MET 95 6.905 -3.630 -7.961 778 HG2 MET 95 HG2 MET 95 5.309 -5.247 -8.723 779 HG3 MET 95 HG3 MET 95 4.244 -3.993 -9.358 780 HE1 MET 95 HE1 MET 95 8.008 -5.098 -9.491 781 HE2 MET 95 HE2 MET 95 8.061 -5.734 -11.141 782 HE3 MET 95 HE3 MET 95 6.967 -6.441 -9.955 783 H LEU 96 H LEU 96 2.870 -4.156 -6.805 784 HA LEU 96 HA LEU 96 3.789 -6.057 -4.740 785 HB2 LEU 96 HB2 LEU 96 1.155 -5.385 -6.049 786 HB3 LEU 96 HB3 LEU 96 1.313 -6.907 -5.175 787 HG LEU 96 HG LEU 96 1.943 -5.733 -3.140 788 HD11 LEU 96 HD11 LEU 96 3.215 -3.875 -4.020 789 HD12 LEU 96 HD12 LEU 96 1.851 -3.208 -3.132 790 HD13 LEU 96 HD13 LEU 96 1.811 -3.263 -4.894 791 HD21 LEU 96 HD21 LEU 96 -0.440 -5.976 -3.488 792 HD22 LEU 96 HD22 LEU 96 -0.477 -4.560 -4.539 793 HD23 LEU 96 HD23 LEU 96 -0.155 -4.371 -2.815 794 H ALA 97 H ALA 97 4.433 -8.125 -5.164 795 HA ALA 97 HA ALA 97 5.084 -9.009 -7.766 796 HB1 ALA 97 HB1 ALA 97 4.390 -10.785 -5.407 797 HB2 ALA 97 HB2 ALA 97 5.951 -9.992 -5.620 798 HB3 ALA 97 HB3 ALA 97 5.411 -11.205 -6.782 799 H ASN 98 H ASN 98 3.825 -9.760 -9.404 800 HA ASN 98 HA ASN 98 1.022 -9.763 -9.381 801 HB2 ASN 98 HB2 ASN 98 2.812 -11.538 -11.064 802 HB3 ASN 98 HB3 ASN 98 1.143 -11.105 -11.432 803 HD21 ASN 98 HD21 ASN 98 0.735 -8.654 -11.660 804 HD22 ASN 98 HD22 ASN 98 1.976 -7.714 -12.336 805 H ASN 99 H ASN 99 2.907 -12.784 -9.538 806 HA ASN 99 HA ASN 99 1.379 -13.965 -7.331 807 HB2 ASN 99 HB2 ASN 99 0.979 -14.871 -10.197 808 HB3 ASN 99 HB3 ASN 99 0.550 -15.862 -8.801 809 HD21 ASN 99 HD21 ASN 99 -0.672 -13.523 -10.929 810 HD22 ASN 99 HD22 ASN 99 -1.995 -13.007 -9.999 811 H ILE 100 H ILE 100 4.141 -13.482 -7.766 812 HA ILE 100 HA ILE 100 5.380 -16.026 -8.576 813 HB ILE 100 HB ILE 100 6.706 -13.646 -7.247 814 HG12 ILE 100 HG12 ILE 100 6.408 -14.177 -10.221 815 HG13 ILE 100 HG13 ILE 100 5.420 -13.018 -9.334 816 HG21 ILE 100 HG21 ILE 100 8.101 -15.627 -7.272 817 HG22 ILE 100 HG22 ILE 100 8.694 -14.543 -8.524 818 HG23 ILE 100 HG23 ILE 100 7.712 -15.939 -8.962 819 HD11 ILE 100 HD11 ILE 100 7.271 -11.832 -10.371 820 HD12 ILE 100 HD12 ILE 100 8.433 -12.944 -9.646 821 HD13 ILE 100 HD13 ILE 100 7.508 -11.844 -8.623 822 H ASP 101 H ASP 101 3.969 -14.751 -5.831 823 HA ASP 101 HA ASP 101 5.600 -15.795 -3.736 824 HB2 ASP 101 HB2 ASP 101 2.594 -15.402 -3.845 825 HB3 ASP 101 HB3 ASP 101 3.512 -15.724 -2.373 826 H THR 102 H THR 102 3.165 -17.293 -5.795 827 HA THR 102 HA THR 102 3.056 -19.769 -4.267 828 HB THR 102 HB THR 102 1.729 -20.617 -6.108 829 HG1 THR 102 HG1 THR 102 1.584 -18.845 -7.888 830 HG21 THR 102 HG21 THR 102 1.138 -17.662 -5.807 831 HG22 THR 102 HG22 THR 102 0.720 -18.880 -4.602 832 HG23 THR 102 HG23 THR 102 -0.013 -18.938 -6.206 833 H GLU 103 H GLU 103 3.692 -21.887 -5.416 834 HA GLU 103 HA GLU 103 5.826 -21.799 -7.374 835 HB2 GLU 103 HB2 GLU 103 6.998 -20.987 -5.294 836 HB3 GLU 103 HB3 GLU 103 6.626 -22.540 -4.545 837 HG2 GLU 103 HG2 GLU 103 7.870 -23.719 -6.290 838 HG3 GLU 103 HG3 GLU 103 8.185 -22.197 -7.123 Start of MODEL 13 1 H1 ASN 1 H1 ASN 1 -21.746 2.230 -2.019 2 H2 ASN 1 H2 ASN 1 -23.081 2.538 -3.025 3 H3 ASN 1 H3 ASN 1 -21.727 1.712 -3.635 4 HA ASN 1 HA ASN 1 -22.164 -0.097 -2.016 5 HB2 ASN 1 HB2 ASN 1 -24.646 1.592 -1.605 6 HB3 ASN 1 HB3 ASN 1 -24.536 -0.101 -1.122 7 HD21 ASN 1 HD21 ASN 1 -21.543 1.613 -0.903 8 HD22 ASN 1 HD22 ASN 1 -21.557 1.861 0.776 9 H GLN 2 H GLN 2 -24.021 -1.727 -2.563 10 HA GLN 2 HA GLN 2 -25.194 -2.916 -4.197 11 HB2 GLN 2 HB2 GLN 2 -26.334 -0.532 -4.390 12 HB3 GLN 2 HB3 GLN 2 -25.440 -0.431 -5.905 13 HG2 GLN 2 HG2 GLN 2 -27.426 -2.589 -5.123 14 HG3 GLN 2 HG3 GLN 2 -27.656 -1.342 -6.349 15 HE21 GLN 2 HE21 GLN 2 -26.705 -1.679 -8.426 16 HE22 GLN 2 HE22 GLN 2 -25.849 -3.086 -8.835 17 H GLY 3 H GLY 3 -22.656 -3.383 -4.306 18 HA2 GLY 3 HA2 GLY 3 -21.972 -4.239 -6.840 19 HA3 GLY 3 HA3 GLY 3 -21.354 -2.587 -6.792 20 H ASP 4 H ASP 4 -20.687 -2.555 -4.003 21 HA ASP 4 HA ASP 4 -18.780 -2.984 -2.697 22 HB2 ASP 4 HB2 ASP 4 -19.207 -5.830 -3.650 23 HB3 ASP 4 HB3 ASP 4 -18.423 -5.311 -2.156 24 H ASN 5 H ASN 5 -16.548 -4.338 -2.848 25 HA ASN 5 HA ASN 5 -15.529 -4.690 -5.555 26 HB2 ASN 5 HB2 ASN 5 -15.467 -2.236 -5.409 27 HB3 ASN 5 HB3 ASN 5 -14.573 -2.337 -3.893 28 HD21 ASN 5 HD21 ASN 5 -12.517 -3.957 -4.204 29 HD22 ASN 5 HD22 ASN 5 -11.585 -3.622 -5.582 30 H GLU 6 H GLU 6 -14.072 -6.294 -5.376 31 HA GLU 6 HA GLU 6 -12.219 -6.420 -3.066 32 HB2 GLU 6 HB2 GLU 6 -14.155 -7.685 -2.274 33 HB3 GLU 6 HB3 GLU 6 -14.187 -8.624 -3.765 34 HG2 GLU 6 HG2 GLU 6 -12.091 -9.679 -3.250 35 HG3 GLU 6 HG3 GLU 6 -11.797 -8.572 -1.910 36 H ILE 7 H ILE 7 -10.324 -7.581 -3.563 37 HA ILE 7 HA ILE 7 -10.140 -9.045 -6.130 38 HB ILE 7 HB ILE 7 -8.210 -7.723 -6.906 39 HG12 ILE 7 HG12 ILE 7 -8.842 -5.984 -4.495 40 HG13 ILE 7 HG13 ILE 7 -7.370 -6.920 -4.755 41 HG21 ILE 7 HG21 ILE 7 -9.439 -5.827 -7.707 42 HG22 ILE 7 HG22 ILE 7 -10.517 -5.853 -6.312 43 HG23 ILE 7 HG23 ILE 7 -10.609 -7.131 -7.524 44 HD11 ILE 7 HD11 ILE 7 -8.313 -4.501 -6.304 45 HD12 ILE 7 HD12 ILE 7 -7.024 -5.558 -6.883 46 HD13 ILE 7 HD13 ILE 7 -6.829 -4.676 -5.368 47 H SER 8 H SER 8 -7.984 -10.164 -6.287 48 HA SER 8 HA SER 8 -6.544 -10.457 -3.686 49 HB2 SER 8 HB2 SER 8 -8.366 -12.180 -3.761 50 HB3 SER 8 HB3 SER 8 -7.658 -12.808 -5.247 51 HG SER 8 HG SER 8 -5.746 -13.210 -4.077 52 H VAL 9 H VAL 9 -4.457 -11.341 -3.915 53 HA VAL 9 HA VAL 9 -3.441 -11.893 -6.654 54 HB VAL 9 HB VAL 9 -2.203 -9.777 -4.860 55 HG11 VAL 9 HG11 VAL 9 -0.554 -10.924 -6.224 56 HG12 VAL 9 HG12 VAL 9 -0.850 -9.334 -6.931 57 HG13 VAL 9 HG13 VAL 9 -1.573 -10.770 -7.656 58 HG21 VAL 9 HG21 VAL 9 -2.923 -8.236 -6.754 59 HG22 VAL 9 HG22 VAL 9 -4.239 -8.858 -5.758 60 HG23 VAL 9 HG23 VAL 9 -3.927 -9.560 -7.345 61 H GLY 10 H GLY 10 -3.022 -14.010 -5.914 62 HA2 GLY 10 HA2 GLY 10 -1.513 -15.627 -5.074 63 HA3 GLY 10 HA3 GLY 10 -0.555 -14.321 -4.372 64 H ASN 11 H ASN 11 -0.611 -14.203 -2.186 65 HA ASN 11 HA ASN 11 -2.821 -15.597 -0.716 66 HB2 ASN 11 HB2 ASN 11 -0.198 -14.589 0.415 67 HB3 ASN 11 HB3 ASN 11 -1.309 -15.762 1.125 68 HD21 ASN 11 HD21 ASN 11 1.548 -16.218 0.454 69 HD22 ASN 11 HD22 ASN 11 1.572 -17.487 -0.673 70 H LEU 12 H LEU 12 -2.271 -12.568 -1.822 71 HA LEU 12 HA LEU 12 -3.059 -11.156 0.689 72 HB2 LEU 12 HB2 LEU 12 -2.412 -9.864 -1.969 73 HB3 LEU 12 HB3 LEU 12 -2.310 -9.165 -0.353 74 HG LEU 12 HG LEU 12 -0.535 -11.352 -1.483 75 HD11 LEU 12 HD11 LEU 12 1.213 -9.697 -1.409 76 HD12 LEU 12 HD12 LEU 12 0.170 -8.552 -0.565 77 HD13 LEU 12 HD13 LEU 12 -0.155 -8.965 -2.249 78 HD21 LEU 12 HD21 LEU 12 0.715 -10.939 0.717 79 HD22 LEU 12 HD22 LEU 12 -0.804 -11.820 0.850 80 HD23 LEU 12 HD23 LEU 12 -0.736 -10.109 1.275 81 H ARG 13 H ARG 13 -5.191 -10.867 0.995 82 HA ARG 13 HA ARG 13 -7.015 -10.634 -1.384 83 HB2 ARG 13 HB2 ARG 13 -7.510 -11.578 1.442 84 HB3 ARG 13 HB3 ARG 13 -8.805 -11.237 0.297 85 HG2 ARG 13 HG2 ARG 13 -7.950 -12.918 -1.238 86 HG3 ARG 13 HG3 ARG 13 -6.547 -13.196 -0.205 87 HD2 ARG 13 HD2 ARG 13 -8.225 -14.942 0.180 88 HD3 ARG 13 HD3 ARG 13 -8.061 -13.935 1.620 89 HE ARG 13 HE ARG 13 -10.153 -12.927 -0.090 90 HH11 ARG 13 HH11 ARG 13 -9.300 -15.413 2.143 91 HH12 ARG 13 HH12 ARG 13 -10.928 -15.677 2.675 92 HH21 ARG 13 HH21 ARG 13 -12.282 -13.258 0.594 93 HH22 ARG 13 HH22 ARG 13 -12.615 -14.457 1.799 94 H LEU 14 H LEU 14 -7.640 -8.582 -1.760 95 HA LEU 14 HA LEU 14 -7.659 -6.613 0.513 96 HB2 LEU 14 HB2 LEU 14 -7.280 -6.325 -2.474 97 HB3 LEU 14 HB3 LEU 14 -7.786 -4.947 -1.506 98 HG LEU 14 HG LEU 14 -5.763 -5.385 -0.020 99 HD11 LEU 14 HD11 LEU 14 -3.901 -6.647 -1.237 100 HD12 LEU 14 HD12 LEU 14 -5.153 -7.292 -2.296 101 HD13 LEU 14 HD13 LEU 14 -5.189 -7.644 -0.572 102 HD21 LEU 14 HD21 LEU 14 -5.421 -4.659 -2.942 103 HD22 LEU 14 HD22 LEU 14 -4.165 -4.410 -1.729 104 HD23 LEU 14 HD23 LEU 14 -5.704 -3.560 -1.591 105 H ASN 15 H ASN 15 -9.574 -5.942 1.221 106 HA ASN 15 HA ASN 15 -12.000 -6.195 -0.553 107 HB2 ASN 15 HB2 ASN 15 -11.639 -6.807 2.389 108 HB3 ASN 15 HB3 ASN 15 -13.231 -6.447 1.721 109 HD21 ASN 15 HD21 ASN 15 -10.465 -8.366 0.407 110 HD22 ASN 15 HD22 ASN 15 -11.380 -9.771 0.140 111 H VAL 16 H VAL 16 -12.070 -4.065 -1.222 112 HA VAL 16 HA VAL 16 -11.636 -1.818 0.550 113 HB VAL 16 HB VAL 16 -13.137 -1.865 -2.076 114 HG11 VAL 16 HG11 VAL 16 -13.349 0.219 -0.792 115 HG12 VAL 16 HG12 VAL 16 -12.330 0.481 -2.207 116 HG13 VAL 16 HG13 VAL 16 -11.596 0.303 -0.614 117 HG21 VAL 16 HG21 VAL 16 -10.876 -1.253 -3.040 118 HG22 VAL 16 HG22 VAL 16 -10.994 -2.913 -2.455 119 HG23 VAL 16 HG23 VAL 16 -10.168 -1.693 -1.486 120 H THR 17 H THR 17 -14.409 -3.764 -0.338 121 HA THR 17 HA THR 17 -16.453 -1.935 0.454 122 HB THR 17 HB THR 17 -17.333 -3.746 -0.722 123 HG1 THR 17 HG1 THR 17 -17.537 -4.611 1.970 124 HG21 THR 17 HG21 THR 17 -15.409 -5.437 0.884 125 HG22 THR 17 HG22 THR 17 -15.437 -5.172 -0.856 126 HG23 THR 17 HG23 THR 17 -16.691 -6.144 -0.093 127 H ARG 18 H ARG 18 -14.842 -4.551 2.302 128 HA ARG 18 HA ARG 18 -16.063 -3.503 4.815 129 HB2 ARG 18 HB2 ARG 18 -14.305 -5.947 4.441 130 HB3 ARG 18 HB3 ARG 18 -15.327 -5.563 5.829 131 HG2 ARG 18 HG2 ARG 18 -17.311 -5.619 4.240 132 HG3 ARG 18 HG3 ARG 18 -16.219 -6.287 3.027 133 HD2 ARG 18 HD2 ARG 18 -17.297 -8.150 4.109 134 HD3 ARG 18 HD3 ARG 18 -15.634 -8.102 4.694 135 HE ARG 18 HE ARG 18 -16.476 -7.636 6.845 136 HH11 ARG 18 HH11 ARG 18 -18.792 -6.967 4.379 137 HH12 ARG 18 HH12 ARG 18 -20.070 -6.610 5.491 138 HH21 ARG 18 HH21 ARG 18 -18.133 -7.171 8.311 139 HH22 ARG 18 HH22 ARG 18 -19.698 -6.726 7.717 140 H ARG 19 H ARG 19 -13.320 -3.157 2.942 141 HA ARG 19 HA ARG 19 -11.217 -2.229 3.310 142 HB2 ARG 19 HB2 ARG 19 -12.579 -1.139 5.800 143 HB3 ARG 19 HB3 ARG 19 -11.023 -0.609 5.184 144 HG2 ARG 19 HG2 ARG 19 -12.450 0.999 4.251 145 HG3 ARG 19 HG3 ARG 19 -12.338 -0.170 2.940 146 HD2 ARG 19 HD2 ARG 19 -14.483 -1.108 3.492 147 HD3 ARG 19 HD3 ARG 19 -14.553 -0.226 5.013 148 HE ARG 19 HE ARG 19 -14.317 1.597 2.796 149 HH11 ARG 19 HH11 ARG 19 -16.453 -0.529 4.472 150 HH12 ARG 19 HH12 ARG 19 -17.880 0.355 4.046 151 HH21 ARG 19 HH21 ARG 19 -16.168 2.764 2.233 152 HH22 ARG 19 HH22 ARG 19 -17.719 2.220 2.779 153 H LEU 20 H LEU 20 -10.603 -4.551 3.688 154 HA LEU 20 HA LEU 20 -9.115 -4.780 6.174 155 HB2 LEU 20 HB2 LEU 20 -11.661 -5.752 6.292 156 HB3 LEU 20 HB3 LEU 20 -10.848 -7.177 5.657 157 HG LEU 20 HG LEU 20 -10.030 -5.662 8.149 158 HD11 LEU 20 HD11 LEU 20 -11.452 -8.317 7.793 159 HD12 LEU 20 HD12 LEU 20 -12.151 -6.845 8.468 160 HD13 LEU 20 HD13 LEU 20 -10.863 -7.688 9.331 161 HD21 LEU 20 HD21 LEU 20 -8.100 -6.716 7.175 162 HD22 LEU 20 HD22 LEU 20 -9.006 -8.184 6.815 163 HD23 LEU 20 HD23 LEU 20 -8.630 -7.766 8.487 164 H VAL 21 H VAL 21 -7.195 -5.734 5.665 165 HA VAL 21 HA VAL 21 -7.019 -7.321 3.116 166 HB VAL 21 HB VAL 21 -4.770 -5.835 4.496 167 HG11 VAL 21 HG11 VAL 21 -3.753 -6.004 2.231 168 HG12 VAL 21 HG12 VAL 21 -5.155 -6.928 1.691 169 HG13 VAL 21 HG13 VAL 21 -4.087 -7.589 2.929 170 HG21 VAL 21 HG21 VAL 21 -5.172 -4.136 2.632 171 HG22 VAL 21 HG22 VAL 21 -6.359 -4.141 3.932 172 HG23 VAL 21 HG23 VAL 21 -6.739 -4.905 2.387 173 H TRP 22 H TRP 22 -6.155 -9.351 3.212 174 HA TRP 22 HA TRP 22 -5.218 -10.354 5.885 175 HB2 TRP 22 HB2 TRP 22 -6.427 -11.789 3.507 176 HB3 TRP 22 HB3 TRP 22 -5.726 -12.619 4.891 177 HD1 TRP 22 HD1 TRP 22 -7.072 -12.664 7.120 178 HE1 TRP 22 HE1 TRP 22 -9.466 -11.955 7.759 179 HE3 TRP 22 HE3 TRP 22 -8.332 -9.979 2.962 180 HZ2 TRP 22 HZ2 TRP 22 -11.630 -10.447 6.653 181 HZ3 TRP 22 HZ3 TRP 22 -10.560 -8.918 2.787 182 HH2 TRP 22 HH2 TRP 22 -12.212 -9.147 4.621 183 H LEU 23 H LEU 23 -3.151 -11.055 6.041 184 HA LEU 23 HA LEU 23 -1.474 -11.208 3.549 185 HB2 LEU 23 HB2 LEU 23 -0.771 -9.400 4.984 186 HB3 LEU 23 HB3 LEU 23 -0.826 -10.430 6.407 187 HG LEU 23 HG LEU 23 0.958 -11.543 4.325 188 HD11 LEU 23 HD11 LEU 23 1.666 -8.829 5.493 189 HD12 LEU 23 HD12 LEU 23 1.320 -9.153 3.795 190 HD13 LEU 23 HD13 LEU 23 2.748 -9.857 4.554 191 HD21 LEU 23 HD21 LEU 23 1.034 -12.316 6.644 192 HD22 LEU 23 HD22 LEU 23 1.386 -10.683 7.209 193 HD23 LEU 23 HD23 LEU 23 2.570 -11.556 6.240 194 H GLY 24 H GLY 24 -1.267 -13.380 3.060 195 HA2 GLY 24 HA2 GLY 24 -0.665 -15.639 3.403 196 HA3 GLY 24 HA3 GLY 24 0.019 -15.152 4.960 197 H GLU 25 H GLU 25 -3.251 -14.644 3.827 198 HA GLU 25 HA GLU 25 -5.319 -15.409 4.592 199 HB2 GLU 25 HB2 GLU 25 -4.000 -17.680 4.428 200 HB3 GLU 25 HB3 GLU 25 -3.961 -17.592 6.186 201 HG2 GLU 25 HG2 GLU 25 -6.456 -17.316 6.172 202 HG3 GLU 25 HG3 GLU 25 -6.432 -17.588 4.430 203 H THR 26 H THR 26 -2.918 -14.120 6.497 204 HA THR 26 HA THR 26 -4.549 -14.226 9.018 205 HB THR 26 HB THR 26 -2.599 -13.354 10.147 206 HG1 THR 26 HG1 THR 26 -0.663 -13.129 8.766 207 HG21 THR 26 HG21 THR 26 -1.874 -15.559 8.199 208 HG22 THR 26 HG22 THR 26 -2.652 -15.774 9.766 209 HG23 THR 26 HG23 THR 26 -0.992 -15.184 9.679 210 H ALA 27 H ALA 27 -5.506 -12.399 9.836 211 HA ALA 27 HA ALA 27 -6.154 -10.245 8.123 212 HB1 ALA 27 HB1 ALA 27 -7.484 -10.755 10.105 213 HB2 ALA 27 HB2 ALA 27 -6.910 -9.090 10.203 214 HB3 ALA 27 HB3 ALA 27 -6.124 -10.351 11.154 215 H LEU 28 H LEU 28 -4.702 -8.836 7.276 216 HA LEU 28 HA LEU 28 -2.186 -8.215 8.600 217 HB2 LEU 28 HB2 LEU 28 -2.472 -8.265 6.114 218 HB3 LEU 28 HB3 LEU 28 -3.514 -6.854 6.234 219 HG LEU 28 HG LEU 28 -1.642 -5.568 7.237 220 HD11 LEU 28 HD11 LEU 28 -0.182 -7.056 8.295 221 HD12 LEU 28 HD12 LEU 28 0.701 -6.748 6.806 222 HD13 LEU 28 HD13 LEU 28 -0.241 -8.224 6.979 223 HD21 LEU 28 HD21 LEU 28 -2.085 -5.665 4.750 224 HD22 LEU 28 HD22 LEU 28 -0.829 -6.898 4.634 225 HD23 LEU 28 HD23 LEU 28 -0.419 -5.269 5.168 226 H ASP 29 H ASP 29 -1.868 -6.594 10.076 227 HA ASP 29 HA ASP 29 -4.142 -4.787 10.696 228 HB2 ASP 29 HB2 ASP 29 -1.482 -5.148 12.097 229 HB3 ASP 29 HB3 ASP 29 -2.857 -4.219 12.697 230 H LEU 30 H LEU 30 -4.117 -3.188 9.146 231 HA LEU 30 HA LEU 30 -1.666 -1.458 8.995 232 HB2 LEU 30 HB2 LEU 30 -2.093 -1.021 6.685 233 HB3 LEU 30 HB3 LEU 30 -2.163 -2.765 6.880 234 HG LEU 30 HG LEU 30 -4.549 -0.889 6.692 235 HD11 LEU 30 HD11 LEU 30 -3.502 -1.197 4.549 236 HD12 LEU 30 HD12 LEU 30 -4.941 -2.214 4.587 237 HD13 LEU 30 HD13 LEU 30 -3.348 -2.933 4.814 238 HD21 LEU 30 HD21 LEU 30 -5.362 -2.625 8.062 239 HD22 LEU 30 HD22 LEU 30 -4.303 -3.835 7.336 240 HD23 LEU 30 HD23 LEU 30 -5.718 -3.251 6.459 241 H THR 31 H THR 31 -1.990 0.674 9.449 242 HA THR 31 HA THR 31 -4.377 1.523 10.695 243 HB THR 31 HB THR 31 -3.447 3.797 10.552 244 HG1 THR 31 HG1 THR 31 -1.495 2.623 8.867 245 HG21 THR 31 HG21 THR 31 -1.387 1.625 11.030 246 HG22 THR 31 HG22 THR 31 -2.489 2.309 12.225 247 HG23 THR 31 HG23 THR 31 -1.207 3.305 11.537 248 HA PRO 32 HA PRO 32 -7.307 2.385 7.418 249 HB2 PRO 32 HB2 PRO 32 -7.434 5.161 8.596 250 HB3 PRO 32 HB3 PRO 32 -8.764 4.088 8.110 251 HG2 PRO 32 HG2 PRO 32 -8.110 4.372 10.674 252 HG3 PRO 32 HG3 PRO 32 -8.596 2.794 10.024 253 HD2 PRO 32 HD2 PRO 32 -5.867 3.729 10.831 254 HD3 PRO 32 HD3 PRO 32 -6.549 2.086 10.818 255 H LYS 33 H LYS 33 -5.137 5.147 8.105 256 HA LYS 33 HA LYS 33 -5.197 6.351 5.558 257 HB2 LYS 33 HB2 LYS 33 -2.770 6.150 7.364 258 HB3 LYS 33 HB3 LYS 33 -3.088 7.395 6.155 259 HG2 LYS 33 HG2 LYS 33 -5.080 8.119 7.414 260 HG3 LYS 33 HG3 LYS 33 -4.773 6.871 8.622 261 HD2 LYS 33 HD2 LYS 33 -2.552 7.902 9.081 262 HD3 LYS 33 HD3 LYS 33 -2.942 9.190 7.940 263 HE2 LYS 33 HE2 LYS 33 -3.483 10.020 10.130 264 HE3 LYS 33 HE3 LYS 33 -5.013 9.654 9.333 265 HZ1 LYS 33 HZ1 LYS 33 -3.913 7.404 10.723 266 HZ2 LYS 33 HZ2 LYS 33 -5.471 8.070 10.805 267 HZ3 LYS 33 HZ3 LYS 33 -4.220 8.718 11.756 268 H GLU 34 H GLU 34 -3.255 3.608 6.707 269 HA GLU 34 HA GLU 34 -1.622 3.440 4.348 270 HB2 GLU 34 HB2 GLU 34 -0.946 2.329 6.421 271 HB3 GLU 34 HB3 GLU 34 -2.386 1.318 6.382 272 HG2 GLU 34 HG2 GLU 34 -0.351 0.130 5.560 273 HG3 GLU 34 HG3 GLU 34 -1.613 0.221 4.337 274 H TYR 35 H TYR 35 -4.787 2.098 5.212 275 HA TYR 35 HA TYR 35 -5.017 0.254 3.057 276 HB2 TYR 35 HB2 TYR 35 -6.625 0.634 5.071 277 HB3 TYR 35 HB3 TYR 35 -7.363 1.885 4.074 278 HD1 TYR 35 HD1 TYR 35 -8.064 1.206 1.649 279 HD2 TYR 35 HD2 TYR 35 -7.275 -1.629 4.785 280 HE1 TYR 35 HE1 TYR 35 -9.324 -0.529 0.403 281 HE2 TYR 35 HE2 TYR 35 -8.545 -3.356 3.536 282 HH TYR 35 HH TYR 35 -9.363 -3.878 1.457 283 H ALA 36 H ALA 36 -5.443 3.744 3.211 284 HA ALA 36 HA ALA 36 -6.624 4.016 0.578 285 HB1 ALA 36 HB1 ALA 36 -5.058 6.014 2.247 286 HB2 ALA 36 HB2 ALA 36 -6.811 5.820 2.252 287 HB3 ALA 36 HB3 ALA 36 -5.992 6.409 0.804 288 H LEU 37 H LEU 37 -3.340 4.572 1.854 289 HA LEU 37 HA LEU 37 -2.006 5.084 -0.570 290 HB2 LEU 37 HB2 LEU 37 -1.162 5.053 1.905 291 HB3 LEU 37 HB3 LEU 37 -0.821 3.352 1.623 292 HG LEU 37 HG LEU 37 0.236 5.592 -0.128 293 HD11 LEU 37 HD11 LEU 37 2.421 5.076 1.088 294 HD12 LEU 37 HD12 LEU 37 1.448 4.210 2.277 295 HD13 LEU 37 HD13 LEU 37 1.206 5.939 2.030 296 HD21 LEU 37 HD21 LEU 37 0.333 3.548 -1.351 297 HD22 LEU 37 HD22 LEU 37 0.768 2.613 0.077 298 HD23 LEU 37 HD23 LEU 37 1.940 3.704 -0.658 299 H LEU 38 H LEU 38 -2.579 1.992 1.064 300 HA LEU 38 HA LEU 38 -1.463 0.257 -0.856 301 HB2 LEU 38 HB2 LEU 38 -2.329 -0.315 1.462 302 HB3 LEU 38 HB3 LEU 38 -3.953 -0.258 0.787 303 HG LEU 38 HG LEU 38 -3.058 -1.977 -0.967 304 HD11 LEU 38 HD11 LEU 38 -1.265 -3.457 0.048 305 HD12 LEU 38 HD12 LEU 38 -0.953 -2.175 1.213 306 HD13 LEU 38 HD13 LEU 38 -0.687 -1.891 -0.506 307 HD21 LEU 38 HD21 LEU 38 -3.554 -3.845 0.588 308 HD22 LEU 38 HD22 LEU 38 -4.700 -2.518 0.782 309 HD23 LEU 38 HD23 LEU 38 -3.397 -2.736 1.950 310 H SER 39 H SER 39 -4.724 1.675 -0.696 311 HA SER 39 HA SER 39 -5.972 0.232 -2.748 312 HB2 SER 39 HB2 SER 39 -6.301 3.216 -2.357 313 HB3 SER 39 HB3 SER 39 -7.492 2.075 -2.972 314 HG SER 39 HG SER 39 -6.579 1.255 -0.588 315 H ARG 40 H ARG 40 -3.620 2.849 -2.987 316 HA ARG 40 HA ARG 40 -3.938 3.122 -5.883 317 HB2 ARG 40 HB2 ARG 40 -2.017 4.198 -3.820 318 HB3 ARG 40 HB3 ARG 40 -1.683 4.419 -5.535 319 HG2 ARG 40 HG2 ARG 40 -4.280 5.243 -4.197 320 HG3 ARG 40 HG3 ARG 40 -2.926 6.337 -4.462 321 HD2 ARG 40 HD2 ARG 40 -4.077 6.797 -6.414 322 HD3 ARG 40 HD3 ARG 40 -3.240 5.362 -7.001 323 HE ARG 40 HE ARG 40 -5.320 4.258 -7.037 324 HH11 ARG 40 HH11 ARG 40 -5.375 7.035 -4.992 325 HH12 ARG 40 HH12 ARG 40 -7.075 6.930 -4.675 326 HH21 ARG 40 HH21 ARG 40 -7.538 4.110 -6.638 327 HH22 ARG 40 HH22 ARG 40 -8.299 5.276 -5.608 328 H LEU 41 H LEU 41 -1.581 1.544 -3.709 329 HA LEU 41 HA LEU 41 0.201 0.671 -5.740 330 HB2 LEU 41 HB2 LEU 41 -0.440 -0.939 -3.264 331 HB3 LEU 41 HB3 LEU 41 1.080 -0.857 -4.152 332 HG LEU 41 HG LEU 41 -0.183 1.362 -2.524 333 HD11 LEU 41 HD11 LEU 41 2.286 -0.358 -2.183 334 HD12 LEU 41 HD12 LEU 41 0.905 -0.227 -1.095 335 HD13 LEU 41 HD13 LEU 41 2.020 1.126 -1.271 336 HD21 LEU 41 HD21 LEU 41 0.849 2.463 -4.367 337 HD22 LEU 41 HD22 LEU 41 2.204 1.334 -4.389 338 HD23 LEU 41 HD23 LEU 41 2.059 2.516 -3.088 339 H MET 42 H MET 42 -2.636 -1.031 -4.350 340 HA MET 42 HA MET 42 -2.345 -3.294 -6.115 341 HB2 MET 42 HB2 MET 42 -4.579 -3.927 -5.331 342 HB3 MET 42 HB3 MET 42 -3.587 -3.403 -3.973 343 HG2 MET 42 HG2 MET 42 -5.587 -2.246 -3.572 344 HG3 MET 42 HG3 MET 42 -4.663 -1.038 -4.462 345 HE1 MET 42 HE1 MET 42 -7.388 -0.132 -4.616 346 HE2 MET 42 HE2 MET 42 -7.861 -1.682 -3.908 347 HE3 MET 42 HE3 MET 42 -8.620 -1.119 -5.394 348 H MET 43 H MET 43 -3.845 -0.158 -6.429 349 HA MET 43 HA MET 43 -5.655 -0.747 -8.550 350 HB2 MET 43 HB2 MET 43 -5.695 1.404 -7.348 351 HB3 MET 43 HB3 MET 43 -4.114 1.810 -8.014 352 HG2 MET 43 HG2 MET 43 -4.982 1.881 -10.254 353 HG3 MET 43 HG3 MET 43 -6.522 1.189 -9.742 354 HE1 MET 43 HE1 MET 43 -7.837 2.401 -7.600 355 HE2 MET 43 HE2 MET 43 -8.485 2.441 -9.246 356 HE3 MET 43 HE3 MET 43 -8.535 3.887 -8.239 357 H LYS 44 H LYS 44 -2.205 -0.145 -8.458 358 HA LYS 44 HA LYS 44 -2.029 -0.631 -11.425 359 HB2 LYS 44 HB2 LYS 44 -0.326 1.036 -9.553 360 HB3 LYS 44 HB3 LYS 44 0.205 0.581 -11.173 361 HG2 LYS 44 HG2 LYS 44 -1.723 1.699 -12.165 362 HG3 LYS 44 HG3 LYS 44 -2.368 2.067 -10.565 363 HD2 LYS 44 HD2 LYS 44 -0.418 3.467 -10.070 364 HD3 LYS 44 HD3 LYS 44 0.291 3.060 -11.634 365 HE2 LYS 44 HE2 LYS 44 -0.769 5.206 -11.883 366 HE3 LYS 44 HE3 LYS 44 -1.783 4.030 -12.717 367 HZ1 LYS 44 HZ1 LYS 44 -3.345 5.087 -11.475 368 HZ2 LYS 44 HZ2 LYS 44 -2.272 5.469 -10.219 369 HZ3 LYS 44 HZ3 LYS 44 -2.890 3.892 -10.357 370 H ALA 45 H ALA 45 -2.191 -2.730 -9.465 371 HA ALA 45 HA ALA 45 0.304 -3.725 -8.583 372 HB1 ALA 45 HB1 ALA 45 -1.990 -4.654 -8.029 373 HB2 ALA 45 HB2 ALA 45 -0.769 -5.870 -8.402 374 HB3 ALA 45 HB3 ALA 45 -1.977 -5.433 -9.611 375 H GLY 46 H GLY 46 2.059 -4.285 -9.746 376 HA2 GLY 46 HA2 GLY 46 3.061 -5.793 -11.431 377 HA3 GLY 46 HA3 GLY 46 1.707 -5.441 -12.501 378 H SER 47 H SER 47 2.277 -2.551 -11.160 379 HA SER 47 HA SER 47 4.450 -1.774 -13.085 380 HB2 SER 47 HB2 SER 47 1.751 -0.489 -12.625 381 HB3 SER 47 HB3 SER 47 3.087 0.393 -13.355 382 HG SER 47 HG SER 47 2.328 -2.151 -14.302 383 HA PRO 48 HA PRO 48 6.039 0.264 -9.453 384 HB2 PRO 48 HB2 PRO 48 7.737 2.086 -10.507 385 HB3 PRO 48 HB3 PRO 48 8.035 0.342 -10.678 386 HG2 PRO 48 HG2 PRO 48 6.782 2.235 -12.642 387 HG3 PRO 48 HG3 PRO 48 8.059 1.030 -12.912 388 HD2 PRO 48 HD2 PRO 48 5.440 0.520 -13.510 389 HD3 PRO 48 HD3 PRO 48 6.552 -0.755 -12.962 390 H VAL 49 H VAL 49 4.835 1.628 -8.177 391 HA VAL 49 HA VAL 49 3.425 3.913 -9.391 392 HB VAL 49 HB VAL 49 3.470 2.794 -6.577 393 HG11 VAL 49 HG11 VAL 49 2.011 5.175 -7.753 394 HG12 VAL 49 HG12 VAL 49 3.025 5.128 -6.311 395 HG13 VAL 49 HG13 VAL 49 1.444 4.349 -6.300 396 HG21 VAL 49 HG21 VAL 49 1.063 2.274 -7.211 397 HG22 VAL 49 HG22 VAL 49 2.285 1.346 -8.076 398 HG23 VAL 49 HG23 VAL 49 1.484 2.706 -8.864 399 H HIS 50 H HIS 50 4.118 6.003 -9.260 400 HA HIS 50 HA HIS 50 6.739 6.588 -8.237 401 HB2 HIS 50 HB2 HIS 50 5.589 7.854 -10.087 402 HB3 HIS 50 HB3 HIS 50 4.519 8.552 -8.876 403 HD1 HIS 50 HD1 HIS 50 5.566 10.903 -9.576 404 HD2 HIS 50 HD2 HIS 50 8.240 8.279 -7.735 405 HE1 HIS 50 HE1 HIS 50 7.572 12.284 -8.884 406 HE2 HIS 50 HE2 HIS 50 9.200 10.697 -7.761 407 H ARG 51 H ARG 51 7.294 7.137 -6.198 408 HA ARG 51 HA ARG 51 5.628 6.847 -3.982 409 HB2 ARG 51 HB2 ARG 51 7.407 8.223 -2.759 410 HB3 ARG 51 HB3 ARG 51 7.974 6.782 -3.601 411 HG2 ARG 51 HG2 ARG 51 8.798 8.067 -5.446 412 HG3 ARG 51 HG3 ARG 51 7.985 9.526 -4.878 413 HD2 ARG 51 HD2 ARG 51 10.186 8.089 -3.365 414 HD3 ARG 51 HD3 ARG 51 10.433 9.519 -4.369 415 HE ARG 51 HE ARG 51 8.372 10.050 -2.449 416 HH11 ARG 51 HH11 ARG 51 11.765 9.542 -2.795 417 HH12 ARG 51 HH12 ARG 51 12.185 10.516 -1.425 418 HH21 ARG 51 HH21 ARG 51 8.901 11.323 -0.660 419 HH22 ARG 51 HH22 ARG 51 10.562 11.524 -0.217 420 H GLU 52 H GLU 52 6.000 9.516 -6.126 421 HA GLU 52 HA GLU 52 4.993 11.561 -4.346 422 HB2 GLU 52 HB2 GLU 52 6.349 11.961 -6.442 423 HB3 GLU 52 HB3 GLU 52 4.907 11.552 -7.373 424 HG2 GLU 52 HG2 GLU 52 3.667 13.353 -6.192 425 HG3 GLU 52 HG3 GLU 52 5.150 13.788 -5.341 426 H ILE 53 H ILE 53 3.490 9.360 -6.686 427 HA ILE 53 HA ILE 53 0.880 10.626 -6.534 428 HB ILE 53 HB ILE 53 1.709 7.897 -7.545 429 HG12 ILE 53 HG12 ILE 53 0.991 10.405 -9.092 430 HG13 ILE 53 HG13 ILE 53 2.650 9.989 -8.667 431 HG21 ILE 53 HG21 ILE 53 -0.908 9.419 -7.705 432 HG22 ILE 53 HG22 ILE 53 -0.644 7.792 -7.077 433 HG23 ILE 53 HG23 ILE 53 -0.507 8.101 -8.807 434 HD11 ILE 53 HD11 ILE 53 0.761 8.244 -10.272 435 HD12 ILE 53 HD12 ILE 53 2.427 7.844 -9.854 436 HD13 ILE 53 HD13 ILE 53 2.090 9.195 -10.936 437 H LEU 54 H LEU 54 2.366 7.890 -4.835 438 HA LEU 54 HA LEU 54 -0.159 7.114 -3.582 439 HB2 LEU 54 HB2 LEU 54 1.158 5.544 -2.288 440 HB3 LEU 54 HB3 LEU 54 1.688 5.501 -3.961 441 HG LEU 54 HG LEU 54 3.484 7.220 -3.241 442 HD11 LEU 54 HD11 LEU 54 3.968 6.356 -0.610 443 HD12 LEU 54 HD12 LEU 54 2.245 6.697 -0.624 444 HD13 LEU 54 HD13 LEU 54 3.390 7.941 -1.098 445 HD21 LEU 54 HD21 LEU 54 4.930 5.304 -2.329 446 HD22 LEU 54 HD22 LEU 54 4.138 5.005 -3.877 447 HD23 LEU 54 HD23 LEU 54 3.476 4.309 -2.399 448 H TYR 55 H TYR 55 2.316 9.422 -2.938 449 HA TYR 55 HA TYR 55 1.925 9.694 -0.105 450 HB2 TYR 55 HB2 TYR 55 3.857 10.686 -1.323 451 HB3 TYR 55 HB3 TYR 55 2.757 11.835 -2.086 452 HD1 TYR 55 HD1 TYR 55 3.596 10.528 1.338 453 HD2 TYR 55 HD2 TYR 55 2.494 13.937 -1.042 454 HE1 TYR 55 HE1 TYR 55 3.752 11.978 3.339 455 HE2 TYR 55 HE2 TYR 55 2.655 15.384 0.965 456 HH TYR 55 HH TYR 55 2.413 14.744 3.717 457 H ASN 56 H ASN 56 0.226 11.021 -2.894 458 HA ASN 56 HA ASN 56 -1.280 13.009 -1.529 459 HB2 ASN 56 HB2 ASN 56 -2.401 11.396 -3.827 460 HB3 ASN 56 HB3 ASN 56 -2.670 13.098 -3.444 461 HD21 ASN 56 HD21 ASN 56 0.087 10.893 -4.217 462 HD22 ASN 56 HD22 ASN 56 0.912 12.031 -5.170 463 H ASP 57 H ASP 57 -1.550 9.562 -1.583 464 HA ASP 57 HA ASP 57 -4.283 9.242 -0.896 465 HB2 ASP 57 HB2 ASP 57 -1.884 7.602 -0.050 466 HB3 ASP 57 HB3 ASP 57 -3.562 7.087 0.124 467 H ILE 58 H ILE 58 -1.494 9.307 1.333 468 HA ILE 58 HA ILE 58 -3.192 9.524 3.665 469 HB ILE 58 HB ILE 58 -0.236 10.143 3.409 470 HG12 ILE 58 HG12 ILE 58 -1.567 7.572 4.314 471 HG13 ILE 58 HG13 ILE 58 -0.982 7.824 2.670 472 HG21 ILE 58 HG21 ILE 58 -1.122 11.038 5.467 473 HG22 ILE 58 HG22 ILE 58 -0.298 9.531 5.869 474 HG23 ILE 58 HG23 ILE 58 -2.058 9.573 5.763 475 HD11 ILE 58 HD11 ILE 58 0.652 6.655 4.224 476 HD12 ILE 58 HD12 ILE 58 0.777 8.175 5.109 477 HD13 ILE 58 HD13 ILE 58 1.280 8.094 3.420 478 H TYR 59 H TYR 59 -1.381 11.868 1.729 479 HA TYR 59 HA TYR 59 -2.524 14.100 3.394 480 HB2 TYR 59 HB2 TYR 59 -0.107 13.975 1.571 481 HB3 TYR 59 HB3 TYR 59 -0.724 15.469 2.275 482 HD1 TYR 59 HD1 TYR 59 0.902 12.237 2.978 483 HD2 TYR 59 HD2 TYR 59 -0.546 15.910 4.671 484 HE1 TYR 59 HE1 TYR 59 2.120 11.747 5.082 485 HE2 TYR 59 HE2 TYR 59 0.673 15.420 6.774 486 HH TYR 59 HH TYR 59 1.570 12.770 7.802 487 H SER 60 H SER 60 -3.950 15.483 2.444 488 HA SER 60 HA SER 60 -4.922 14.894 -0.245 489 HB2 SER 60 HB2 SER 60 -5.604 17.089 1.733 490 HB3 SER 60 HB3 SER 60 -6.423 16.866 0.190 491 HG SER 60 HG SER 60 -7.624 15.670 1.517 492 H TRP 61 H TRP 61 -2.190 15.606 -0.303 493 HA TRP 61 HA TRP 61 -0.697 17.061 -1.377 494 HB2 TRP 61 HB2 TRP 61 -2.342 16.554 -3.234 495 HB3 TRP 61 HB3 TRP 61 -3.180 18.047 -2.812 496 HD1 TRP 61 HD1 TRP 61 0.459 16.982 -3.622 497 HE1 TRP 61 HE1 TRP 61 1.535 18.845 -5.041 498 HE3 TRP 61 HE3 TRP 61 -3.407 20.316 -3.781 499 HZ2 TRP 61 HZ2 TRP 61 0.848 21.410 -6.104 500 HZ3 TRP 61 HZ3 TRP 61 -3.169 22.459 -5.002 501 HH2 TRP 61 HH2 TRP 61 -1.048 23.009 -6.163 502 H ASP 62 H ASP 62 -1.573 17.980 1.115 503 HA ASP 62 HA ASP 62 -2.456 20.765 0.885 504 HB2 ASP 62 HB2 ASP 62 -3.003 19.263 2.840 505 HB3 ASP 62 HB3 ASP 62 -1.305 19.355 3.305 506 H ASN 63 H ASN 63 0.579 19.036 1.341 507 HA ASN 63 HA ASN 63 2.798 19.779 1.273 508 HB2 ASN 63 HB2 ASN 63 1.771 22.355 0.058 509 HB3 ASN 63 HB3 ASN 63 3.311 21.542 -0.226 510 HD21 ASN 63 HD21 ASN 63 1.985 18.844 -0.407 511 HD22 ASN 63 HD22 ASN 63 1.220 18.822 -1.922 512 H GLU 64 H GLU 64 3.844 20.400 3.084 513 HA GLU 64 HA GLU 64 3.799 23.022 4.150 514 HB2 GLU 64 HB2 GLU 64 1.554 21.397 4.995 515 HB3 GLU 64 HB3 GLU 64 2.574 21.683 6.398 516 HG2 GLU 64 HG2 GLU 64 1.632 23.899 4.553 517 HG3 GLU 64 HG3 GLU 64 0.784 23.428 6.025 518 HA PRO 65 HA PRO 65 6.338 20.225 7.009 519 HB2 PRO 65 HB2 PRO 65 6.051 17.554 7.089 520 HB3 PRO 65 HB3 PRO 65 4.850 18.619 7.853 521 HG2 PRO 65 HG2 PRO 65 4.713 17.202 5.219 522 HG3 PRO 65 HG3 PRO 65 3.452 17.407 6.450 523 HD2 PRO 65 HD2 PRO 65 3.702 18.993 4.159 524 HD3 PRO 65 HD3 PRO 65 2.823 19.478 5.623 525 H ALA 66 H ALA 66 7.829 20.976 5.246 526 HA ALA 66 HA ALA 66 8.683 19.085 3.201 527 HB1 ALA 66 HB1 ALA 66 10.365 20.750 2.653 528 HB2 ALA 66 HB2 ALA 66 10.101 21.578 4.189 529 HB3 ALA 66 HB3 ALA 66 8.839 21.580 2.958 530 H THR 67 H THR 67 9.470 19.634 6.517 531 HA THR 67 HA THR 67 12.171 18.713 6.554 532 HB THR 67 HB THR 67 11.809 18.293 8.929 533 HG1 THR 67 HG1 THR 67 9.130 18.926 8.833 534 HG21 THR 67 HG21 THR 67 11.901 20.657 8.073 535 HG22 THR 67 HG22 THR 67 11.025 20.482 9.594 536 HG23 THR 67 HG23 THR 67 10.138 20.672 8.082 537 H ASN 68 H ASN 68 12.693 16.524 7.759 538 HA ASN 68 HA ASN 68 11.682 14.391 6.051 539 HB2 ASN 68 HB2 ASN 68 13.545 14.390 8.441 540 HB3 ASN 68 HB3 ASN 68 13.168 12.950 7.494 541 HD21 ASN 68 HD21 ASN 68 13.187 15.850 5.627 542 HD22 ASN 68 HD22 ASN 68 14.721 15.651 4.928 543 H THR 69 H THR 69 9.659 13.611 6.437 544 HA THR 69 HA THR 69 9.045 12.375 8.991 545 HB THR 69 HB THR 69 7.318 14.727 8.174 546 HG1 THR 69 HG1 THR 69 9.396 15.370 8.921 547 HG21 THR 69 HG21 THR 69 7.423 12.988 10.653 548 HG22 THR 69 HG22 THR 69 6.156 12.977 9.427 549 HG23 THR 69 HG23 THR 69 6.379 14.395 10.450 550 H LEU 70 H LEU 70 7.948 13.510 5.839 551 HA LEU 70 HA LEU 70 5.646 11.763 5.707 552 HB2 LEU 70 HB2 LEU 70 6.098 12.227 3.099 553 HB3 LEU 70 HB3 LEU 70 5.416 13.471 4.140 554 HG LEU 70 HG LEU 70 8.423 13.307 3.975 555 HD11 LEU 70 HD11 LEU 70 6.697 14.544 1.808 556 HD12 LEU 70 HD12 LEU 70 7.733 13.129 1.617 557 HD13 LEU 70 HD13 LEU 70 8.448 14.707 1.949 558 HD21 LEU 70 HD21 LEU 70 6.646 15.761 3.871 559 HD22 LEU 70 HD22 LEU 70 8.310 15.631 4.440 560 HD23 LEU 70 HD23 LEU 70 6.994 14.957 5.399 561 H GLU 71 H GLU 71 8.942 11.564 4.325 562 HA GLU 71 HA GLU 71 8.535 8.922 3.234 563 HB2 GLU 71 HB2 GLU 71 10.321 10.586 2.525 564 HB3 GLU 71 HB3 GLU 71 11.184 10.168 4.005 565 HG2 GLU 71 HG2 GLU 71 12.090 8.773 2.274 566 HG3 GLU 71 HG3 GLU 71 11.057 7.738 3.258 567 H VAL 72 H VAL 72 9.615 10.144 6.352 568 HA VAL 72 HA VAL 72 10.618 7.592 7.283 569 HB VAL 72 HB VAL 72 9.600 9.876 8.976 570 HG11 VAL 72 HG11 VAL 72 10.081 7.824 10.207 571 HG12 VAL 72 HG12 VAL 72 11.336 9.014 10.552 572 HG13 VAL 72 HG13 VAL 72 11.656 7.694 9.428 573 HG21 VAL 72 HG21 VAL 72 11.190 10.745 7.308 574 HG22 VAL 72 HG22 VAL 72 12.343 9.481 7.738 575 HG23 VAL 72 HG23 VAL 72 11.929 10.733 8.910 576 H HIS 73 H HIS 73 7.535 9.307 7.528 577 HA HIS 73 HA HIS 73 6.224 7.498 9.289 578 HB2 HIS 73 HB2 HIS 73 5.308 9.716 8.427 579 HB3 HIS 73 HB3 HIS 73 4.932 8.886 6.917 580 HD1 HIS 73 HD1 HIS 73 2.574 8.105 6.856 581 HD2 HIS 73 HD2 HIS 73 4.107 8.002 10.735 582 HE1 HIS 73 HE1 HIS 73 0.711 7.242 8.343 583 HE2 HIS 73 HE2 HIS 73 1.633 7.176 10.704 584 H ILE 74 H ILE 74 6.763 7.462 5.806 585 HA ILE 74 HA ILE 74 5.230 5.102 5.250 586 HB ILE 74 HB ILE 74 7.635 6.261 3.808 587 HG12 ILE 74 HG12 ILE 74 4.665 6.353 3.175 588 HG13 ILE 74 HG13 ILE 74 5.549 7.660 3.958 589 HG21 ILE 74 HG21 ILE 74 7.489 3.937 3.182 590 HG22 ILE 74 HG22 ILE 74 6.730 4.847 1.880 591 HG23 ILE 74 HG23 ILE 74 5.732 4.015 3.071 592 HD11 ILE 74 HD11 ILE 74 7.121 7.580 1.910 593 HD12 ILE 74 HD12 ILE 74 5.513 8.259 1.666 594 HD13 ILE 74 HD13 ILE 74 5.864 6.611 1.145 595 H HIS 75 H HIS 75 8.560 5.611 6.340 596 HA HIS 75 HA HIS 75 9.425 2.896 6.036 597 HB2 HIS 75 HB2 HIS 75 10.947 4.819 6.560 598 HB3 HIS 75 HB3 HIS 75 10.265 4.867 8.186 599 HD1 HIS 75 HD1 HIS 75 11.285 3.325 9.881 600 HD2 HIS 75 HD2 HIS 75 12.248 2.202 5.980 601 HE1 HIS 75 HE1 HIS 75 12.940 1.415 10.072 602 HE2 HIS 75 HE2 HIS 75 13.532 0.724 7.705 603 H ASN 76 H ASN 76 7.523 4.546 8.480 604 HA ASN 76 HA ASN 76 7.582 2.370 10.398 605 HB2 ASN 76 HB2 ASN 76 7.052 4.715 11.040 606 HB3 ASN 76 HB3 ASN 76 5.565 4.616 10.096 607 HD21 ASN 76 HD21 ASN 76 3.764 3.528 11.034 608 HD22 ASN 76 HD22 ASN 76 3.802 2.825 12.578 609 H LEU 77 H LEU 77 5.329 3.407 7.855 610 HA LEU 77 HA LEU 77 3.414 1.299 8.408 611 HB2 LEU 77 HB2 LEU 77 3.825 2.859 5.842 612 HB3 LEU 77 HB3 LEU 77 2.385 1.951 6.294 613 HG LEU 77 HG LEU 77 3.482 4.330 7.821 614 HD11 LEU 77 HD11 LEU 77 1.023 4.149 6.061 615 HD12 LEU 77 HD12 LEU 77 2.558 4.845 5.541 616 HD13 LEU 77 HD13 LEU 77 1.653 5.591 6.857 617 HD21 LEU 77 HD21 LEU 77 1.044 4.167 8.781 618 HD22 LEU 77 HD22 LEU 77 2.267 3.064 9.399 619 HD23 LEU 77 HD23 LEU 77 1.099 2.504 8.202 620 H ARG 78 H ARG 78 6.145 1.655 6.139 621 HA ARG 78 HA ARG 78 5.763 -0.593 4.539 622 HB2 ARG 78 HB2 ARG 78 7.602 1.005 4.220 623 HB3 ARG 78 HB3 ARG 78 8.364 0.441 5.705 624 HG2 ARG 78 HG2 ARG 78 8.757 -1.741 4.773 625 HG3 ARG 78 HG3 ARG 78 7.758 -1.382 3.365 626 HD2 ARG 78 HD2 ARG 78 9.340 0.247 2.562 627 HD3 ARG 78 HD3 ARG 78 10.267 0.165 4.061 628 HE ARG 78 HE ARG 78 10.069 -2.404 2.682 629 HH11 ARG 78 HH11 ARG 78 11.723 0.604 2.995 630 HH12 ARG 78 HH12 ARG 78 13.215 0.004 2.352 631 HH21 ARG 78 HH21 ARG 78 12.008 -3.207 1.842 632 HH22 ARG 78 HH22 ARG 78 13.376 -2.154 1.700 633 H GLU 79 H GLU 79 7.492 -0.506 7.684 634 HA GLU 79 HA GLU 79 7.950 -3.334 7.752 635 HB2 GLU 79 HB2 GLU 79 8.246 -2.950 10.241 636 HB3 GLU 79 HB3 GLU 79 9.242 -1.924 9.210 637 HG2 GLU 79 HG2 GLU 79 7.695 -0.073 9.463 638 HG3 GLU 79 HG3 GLU 79 6.565 -1.092 10.357 639 H LYS 80 H LYS 80 5.129 -1.402 8.505 640 HA LYS 80 HA LYS 80 3.832 -3.367 10.157 641 HB2 LYS 80 HB2 LYS 80 3.299 -0.840 9.894 642 HB3 LYS 80 HB3 LYS 80 2.388 -1.319 8.466 643 HG2 LYS 80 HG2 LYS 80 0.712 -1.418 10.096 644 HG3 LYS 80 HG3 LYS 80 1.282 -3.084 10.120 645 HD2 LYS 80 HD2 LYS 80 2.709 -2.592 12.060 646 HD3 LYS 80 HD3 LYS 80 2.234 -0.895 12.002 647 HE2 LYS 80 HE2 LYS 80 0.875 -1.932 13.686 648 HE3 LYS 80 HE3 LYS 80 -0.167 -1.670 12.287 649 HZ1 LYS 80 HZ1 LYS 80 -0.380 -3.908 13.257 650 HZ2 LYS 80 HZ2 LYS 80 1.245 -4.213 12.880 651 HZ3 LYS 80 HZ3 LYS 80 0.124 -3.940 11.634 652 H ILE 81 H ILE 81 3.568 -2.578 6.686 653 HA ILE 81 HA ILE 81 1.640 -4.678 6.175 654 HB ILE 81 HB ILE 81 2.248 -4.197 3.748 655 HG12 ILE 81 HG12 ILE 81 3.879 -1.968 4.988 656 HG13 ILE 81 HG13 ILE 81 4.592 -3.444 4.341 657 HG21 ILE 81 HG21 ILE 81 1.201 -1.964 3.780 658 HG22 ILE 81 HG22 ILE 81 1.522 -1.834 5.510 659 HG23 ILE 81 HG23 ILE 81 0.392 -3.048 4.911 660 HD11 ILE 81 HD11 ILE 81 4.608 -1.628 2.661 661 HD12 ILE 81 HD12 ILE 81 2.853 -1.510 2.781 662 HD13 ILE 81 HD13 ILE 81 3.596 -2.976 2.141 663 H GLY 82 H GLY 82 5.086 -4.588 6.448 664 HA2 GLY 82 HA2 GLY 82 6.533 -6.477 6.480 665 HA3 GLY 82 HA3 GLY 82 5.216 -7.477 5.858 666 H LYS 83 H LYS 83 7.633 -5.090 4.973 667 HA LYS 83 HA LYS 83 7.255 -4.703 2.276 668 HB2 LYS 83 HB2 LYS 83 9.705 -4.510 2.054 669 HB3 LYS 83 HB3 LYS 83 9.126 -3.722 3.522 670 HG2 LYS 83 HG2 LYS 83 9.651 -5.858 4.769 671 HG3 LYS 83 HG3 LYS 83 10.438 -6.442 3.302 672 HD2 LYS 83 HD2 LYS 83 11.961 -4.505 3.336 673 HD3 LYS 83 HD3 LYS 83 11.172 -3.907 4.797 674 HE2 LYS 83 HE2 LYS 83 11.810 -5.996 5.976 675 HE3 LYS 83 HE3 LYS 83 12.646 -6.543 4.523 676 HZ1 LYS 83 HZ1 LYS 83 13.303 -4.233 6.249 677 HZ2 LYS 83 HZ2 LYS 83 13.923 -4.384 4.678 678 HZ3 LYS 83 HZ3 LYS 83 14.283 -5.562 5.848 679 H SER 84 H SER 84 7.916 -7.711 3.795 680 HA SER 84 HA SER 84 9.237 -9.120 1.726 681 HB2 SER 84 HB2 SER 84 7.266 -10.066 3.815 682 HB3 SER 84 HB3 SER 84 8.154 -11.159 2.758 683 HG SER 84 HG SER 84 9.011 -9.645 4.908 684 H ARG 85 H ARG 85 5.701 -8.818 2.308 685 HA ARG 85 HA ARG 85 5.052 -10.358 -0.058 686 HB2 ARG 85 HB2 ARG 85 3.469 -8.614 1.829 687 HB3 ARG 85 HB3 ARG 85 2.718 -9.266 0.373 688 HG2 ARG 85 HG2 ARG 85 2.385 -10.725 2.383 689 HG3 ARG 85 HG3 ARG 85 3.224 -11.542 1.068 690 HD2 ARG 85 HD2 ARG 85 5.329 -11.367 2.153 691 HD3 ARG 85 HD3 ARG 85 4.734 -10.162 3.296 692 HE ARG 85 HE ARG 85 3.157 -12.381 3.805 693 HH11 ARG 85 HH11 ARG 85 6.533 -11.724 3.570 694 HH12 ARG 85 HH12 ARG 85 6.984 -12.930 4.729 695 HH21 ARG 85 HH21 ARG 85 3.726 -13.960 5.320 696 HH22 ARG 85 HH22 ARG 85 5.395 -14.195 5.721 697 H ILE 86 H ILE 86 6.599 -7.545 -0.080 698 HA ILE 86 HA ILE 86 5.420 -6.779 -2.703 699 HB ILE 86 HB ILE 86 4.219 -5.341 -1.171 700 HG12 ILE 86 HG12 ILE 86 6.508 -3.700 -2.301 701 HG13 ILE 86 HG13 ILE 86 5.203 -4.345 -3.294 702 HG21 ILE 86 HG21 ILE 86 6.956 -4.660 -0.072 703 HG22 ILE 86 HG22 ILE 86 5.671 -5.536 0.761 704 HG23 ILE 86 HG23 ILE 86 5.463 -3.830 0.368 705 HD11 ILE 86 HD11 ILE 86 4.998 -2.341 -1.037 706 HD12 ILE 86 HD12 ILE 86 3.586 -3.159 -1.705 707 HD13 ILE 86 HD13 ILE 86 4.563 -2.111 -2.728 708 H ARG 87 H ARG 87 6.896 -5.336 -3.919 709 HA ARG 87 HA ARG 87 9.768 -5.686 -3.077 710 HB2 ARG 87 HB2 ARG 87 9.115 -7.018 -5.070 711 HB3 ARG 87 HB3 ARG 87 8.614 -5.531 -5.878 712 HG2 ARG 87 HG2 ARG 87 10.860 -4.661 -5.837 713 HG3 ARG 87 HG3 ARG 87 11.407 -5.975 -4.795 714 HD2 ARG 87 HD2 ARG 87 11.074 -7.601 -6.545 715 HD3 ARG 87 HD3 ARG 87 10.273 -6.411 -7.570 716 HE ARG 87 HE ARG 87 12.879 -5.441 -6.964 717 HH11 ARG 87 HH11 ARG 87 11.256 -7.979 -8.643 718 HH12 ARG 87 HH12 ARG 87 12.499 -8.164 -9.835 719 HH21 ARG 87 HH21 ARG 87 14.510 -5.669 -8.511 720 HH22 ARG 87 HH22 ARG 87 14.341 -6.857 -9.761 721 H THR 88 H THR 88 10.963 -3.854 -2.915 722 HA THR 88 HA THR 88 9.680 -1.258 -3.620 723 HB THR 88 HB THR 88 11.146 -0.266 -2.071 724 HG1 THR 88 HG1 THR 88 12.831 -2.456 -1.821 725 HG21 THR 88 HG21 THR 88 11.015 -3.082 -0.978 726 HG22 THR 88 HG22 THR 88 9.603 -2.028 -1.053 727 HG23 THR 88 HG23 THR 88 10.996 -1.567 -0.075 728 H VAL 89 H VAL 89 10.596 0.137 -5.134 729 HA VAL 89 HA VAL 89 12.704 -1.042 -6.904 730 HB VAL 89 HB VAL 89 10.852 1.311 -7.387 731 HG11 VAL 89 HG11 VAL 89 12.839 1.435 -8.763 732 HG12 VAL 89 HG12 VAL 89 11.517 0.853 -9.776 733 HG13 VAL 89 HG13 VAL 89 12.725 -0.278 -9.165 734 HG21 VAL 89 HG21 VAL 89 10.668 -1.582 -8.293 735 HG22 VAL 89 HG22 VAL 89 9.605 -0.281 -8.827 736 HG23 VAL 89 HG23 VAL 89 9.593 -0.791 -7.139 737 H ARG 90 H ARG 90 14.573 -0.453 -5.711 738 HA ARG 90 HA ARG 90 16.243 0.980 -4.881 739 HB2 ARG 90 HB2 ARG 90 15.260 2.804 -7.088 740 HB3 ARG 90 HB3 ARG 90 16.889 2.712 -6.417 741 HG2 ARG 90 HG2 ARG 90 16.953 0.292 -7.199 742 HG3 ARG 90 HG3 ARG 90 15.460 0.622 -8.078 743 HD2 ARG 90 HD2 ARG 90 17.253 0.962 -9.635 744 HD3 ARG 90 HD3 ARG 90 16.676 2.565 -9.183 745 HE ARG 90 HE ARG 90 18.777 2.966 -8.197 746 HH11 ARG 90 HH11 ARG 90 18.174 -0.404 -8.618 747 HH12 ARG 90 HH12 ARG 90 19.758 -0.886 -8.109 748 HH21 ARG 90 HH21 ARG 90 20.849 2.354 -7.529 749 HH22 ARG 90 HH22 ARG 90 21.271 0.675 -7.493 750 H GLY 91 H GLY 91 13.578 1.310 -3.656 751 HA2 GLY 91 HA2 GLY 91 12.605 2.759 -2.088 752 HA3 GLY 91 HA3 GLY 91 14.095 3.699 -2.157 753 H PHE 92 H PHE 92 13.025 3.459 -5.277 754 HA PHE 92 HA PHE 92 12.148 6.222 -5.330 755 HB2 PHE 92 HB2 PHE 92 13.359 5.435 -7.251 756 HB3 PHE 92 HB3 PHE 92 12.285 4.052 -7.441 757 HD1 PHE 92 HD1 PHE 92 12.412 7.781 -7.589 758 HD2 PHE 92 HD2 PHE 92 10.280 4.226 -8.721 759 HE1 PHE 92 HE1 PHE 92 10.939 9.129 -9.063 760 HE2 PHE 92 HE2 PHE 92 8.809 5.575 -10.190 761 HZ PHE 92 HZ PHE 92 9.136 8.025 -10.361 762 H GLY 93 H GLY 93 10.429 3.572 -6.921 763 HA2 GLY 93 HA2 GLY 93 7.857 4.611 -5.785 764 HA3 GLY 93 HA3 GLY 93 8.019 3.693 -7.281 765 H TYR 94 H TYR 94 6.517 2.114 -6.565 766 HA TYR 94 HA TYR 94 7.724 0.015 -4.870 767 HB2 TYR 94 HB2 TYR 94 5.263 1.602 -4.133 768 HB3 TYR 94 HB3 TYR 94 5.351 -0.098 -3.678 769 HD1 TYR 94 HD1 TYR 94 6.939 3.224 -3.273 770 HD2 TYR 94 HD2 TYR 94 6.882 -0.869 -1.978 771 HE1 TYR 94 HE1 TYR 94 8.393 3.808 -1.356 772 HE2 TYR 94 HE2 TYR 94 8.331 -0.286 -0.059 773 HH TYR 94 HH TYR 94 8.901 2.907 0.910 774 H MET 95 H MET 95 6.404 -2.031 -5.060 775 HA MET 95 HA MET 95 4.358 -2.120 -7.157 776 HB2 MET 95 HB2 MET 95 6.293 -1.900 -8.591 777 HB3 MET 95 HB3 MET 95 7.153 -3.155 -7.709 778 HG2 MET 95 HG2 MET 95 4.497 -3.810 -8.981 779 HG3 MET 95 HG3 MET 95 5.949 -3.753 -9.981 780 HE1 MET 95 HE1 MET 95 7.017 -6.278 -10.455 781 HE2 MET 95 HE2 MET 95 5.290 -5.940 -10.630 782 HE3 MET 95 HE3 MET 95 5.826 -7.429 -9.855 783 H LEU 96 H LEU 96 3.050 -3.771 -6.674 784 HA LEU 96 HA LEU 96 3.805 -5.720 -4.620 785 HB2 LEU 96 HB2 LEU 96 1.314 -5.118 -6.215 786 HB3 LEU 96 HB3 LEU 96 1.425 -6.640 -5.332 787 HG LEU 96 HG LEU 96 1.791 -5.454 -3.236 788 HD11 LEU 96 HD11 LEU 96 1.743 -2.978 -4.984 789 HD12 LEU 96 HD12 LEU 96 3.079 -3.547 -3.986 790 HD13 LEU 96 HD13 LEU 96 1.612 -2.941 -3.227 791 HD21 LEU 96 HD21 LEU 96 -0.534 -5.788 -3.876 792 HD22 LEU 96 HD22 LEU 96 -0.506 -4.331 -4.869 793 HD23 LEU 96 HD23 LEU 96 -0.381 -4.205 -3.114 794 H ALA 97 H ALA 97 4.236 -7.911 -4.945 795 HA ALA 97 HA ALA 97 5.213 -8.667 -7.578 796 HB1 ALA 97 HB1 ALA 97 6.240 -9.472 -5.448 797 HB2 ALA 97 HB2 ALA 97 5.782 -10.794 -6.524 798 HB3 ALA 97 HB3 ALA 97 4.776 -10.404 -5.129 799 H ASN 98 H ASN 98 3.938 -9.426 -9.188 800 HA ASN 98 HA ASN 98 1.173 -9.913 -8.999 801 HB2 ASN 98 HB2 ASN 98 2.509 -9.622 -11.124 802 HB3 ASN 98 HB3 ASN 98 3.046 -11.293 -10.941 803 HD21 ASN 98 HD21 ASN 98 0.383 -9.267 -11.931 804 HD22 ASN 98 HD22 ASN 98 -0.682 -10.523 -12.346 805 H ASN 99 H ASN 99 3.850 -11.986 -8.171 806 HA ASN 99 HA ASN 99 2.119 -13.853 -6.816 807 HB2 ASN 99 HB2 ASN 99 2.711 -15.841 -8.254 808 HB3 ASN 99 HB3 ASN 99 1.623 -14.690 -9.030 809 HD21 ASN 99 HD21 ASN 99 4.005 -16.598 -9.965 810 HD22 ASN 99 HD22 ASN 99 4.854 -15.596 -11.039 811 H ILE 100 H ILE 100 3.429 -14.096 -5.064 812 HA ILE 100 HA ILE 100 6.308 -13.955 -5.227 813 HB ILE 100 HB ILE 100 4.651 -15.103 -2.961 814 HG12 ILE 100 HG12 ILE 100 5.533 -12.224 -3.342 815 HG13 ILE 100 HG13 ILE 100 3.908 -12.796 -3.711 816 HG21 ILE 100 HG21 ILE 100 7.015 -15.541 -2.699 817 HG22 ILE 100 HG22 ILE 100 6.602 -14.218 -1.614 818 HG23 ILE 100 HG23 ILE 100 7.424 -13.883 -3.137 819 HD11 ILE 100 HD11 ILE 100 3.724 -13.621 -1.347 820 HD12 ILE 100 HD12 ILE 100 3.889 -11.870 -1.473 821 HD13 ILE 100 HD13 ILE 100 5.275 -12.855 -1.009 822 H ASP 101 H ASP 101 4.072 -16.353 -5.880 823 HA ASP 101 HA ASP 101 6.067 -18.293 -6.588 824 HB2 ASP 101 HB2 ASP 101 5.366 -20.041 -4.894 825 HB3 ASP 101 HB3 ASP 101 6.298 -18.704 -4.222 826 H THR 102 H THR 102 2.814 -17.262 -6.171 827 HA THR 102 HA THR 102 1.537 -19.642 -7.238 828 HB THR 102 HB THR 102 0.415 -16.826 -7.296 829 HG1 THR 102 HG1 THR 102 1.304 -17.477 -5.216 830 HG21 THR 102 HG21 THR 102 -1.721 -18.063 -6.954 831 HG22 THR 102 HG22 THR 102 -0.829 -19.582 -7.046 832 HG23 THR 102 HG23 THR 102 -0.913 -18.522 -8.452 833 H GLU 103 H GLU 103 3.527 -19.366 -8.962 834 HA GLU 103 HA GLU 103 2.918 -17.612 -11.205 835 HB2 GLU 103 HB2 GLU 103 4.732 -18.870 -12.356 836 HB3 GLU 103 HB3 GLU 103 5.228 -18.281 -10.772 837 HG2 GLU 103 HG2 GLU 103 5.999 -20.515 -10.788 838 HG3 GLU 103 HG3 GLU 103 4.487 -20.616 -9.891 Start of MODEL 14 1 H1 ASN 1 H1 ASN 1 -25.804 -5.992 -5.748 2 H2 ASN 1 H2 ASN 1 -25.122 -5.153 -4.437 3 H3 ASN 1 H3 ASN 1 -24.587 -6.720 -4.817 4 HA ASN 1 HA ASN 1 -22.934 -5.688 -5.892 5 HB2 ASN 1 HB2 ASN 1 -25.282 -5.226 -7.756 6 HB3 ASN 1 HB3 ASN 1 -23.595 -5.015 -8.230 7 HD21 ASN 1 HD21 ASN 1 -22.478 -7.243 -6.772 8 HD22 ASN 1 HD22 ASN 1 -23.061 -8.673 -7.477 9 H GLN 2 H GLN 2 -22.610 -3.516 -7.469 10 HA GLN 2 HA GLN 2 -22.166 -1.215 -7.242 11 HB2 GLN 2 HB2 GLN 2 -24.621 -1.326 -7.938 12 HB3 GLN 2 HB3 GLN 2 -25.022 -1.095 -6.236 13 HG2 GLN 2 HG2 GLN 2 -25.040 1.087 -7.231 14 HG3 GLN 2 HG3 GLN 2 -23.550 0.985 -6.295 15 HE21 GLN 2 HE21 GLN 2 -21.662 1.501 -7.419 16 HE22 GLN 2 HE22 GLN 2 -21.515 1.527 -9.110 17 H GLY 3 H GLY 3 -20.926 -2.248 -5.213 18 HA2 GLY 3 HA2 GLY 3 -20.783 -0.380 -3.173 19 HA3 GLY 3 HA3 GLY 3 -21.991 -1.533 -2.600 20 H ASP 4 H ASP 4 -20.805 -3.856 -3.842 21 HA ASP 4 HA ASP 4 -18.789 -4.458 -1.814 22 HB2 ASP 4 HB2 ASP 4 -19.684 -6.111 -4.197 23 HB3 ASP 4 HB3 ASP 4 -18.790 -6.698 -2.795 24 H ASN 5 H ASN 5 -16.562 -4.725 -2.161 25 HA ASN 5 HA ASN 5 -15.438 -4.590 -4.867 26 HB2 ASN 5 HB2 ASN 5 -15.107 -2.319 -2.886 27 HB3 ASN 5 HB3 ASN 5 -14.038 -2.561 -4.268 28 HD21 ASN 5 HD21 ASN 5 -14.910 -2.173 -6.417 29 HD22 ASN 5 HD22 ASN 5 -16.402 -1.397 -6.647 30 H GLU 6 H GLU 6 -13.810 -6.042 -4.780 31 HA GLU 6 HA GLU 6 -11.801 -5.947 -2.663 32 HB2 GLU 6 HB2 GLU 6 -12.165 -8.287 -1.908 33 HB3 GLU 6 HB3 GLU 6 -13.532 -7.245 -1.511 34 HG2 GLU 6 HG2 GLU 6 -14.666 -8.029 -3.606 35 HG3 GLU 6 HG3 GLU 6 -13.342 -9.170 -3.845 36 H ILE 7 H ILE 7 -9.966 -7.297 -3.174 37 HA ILE 7 HA ILE 7 -9.998 -8.829 -5.701 38 HB ILE 7 HB ILE 7 -8.061 -7.564 -6.620 39 HG12 ILE 7 HG12 ILE 7 -8.667 -5.709 -4.293 40 HG13 ILE 7 HG13 ILE 7 -7.180 -6.623 -4.553 41 HG21 ILE 7 HG21 ILE 7 -10.382 -5.691 -6.083 42 HG22 ILE 7 HG22 ILE 7 -10.500 -7.055 -7.196 43 HG23 ILE 7 HG23 ILE 7 -9.351 -5.757 -7.512 44 HD11 ILE 7 HD11 ILE 7 -6.724 -4.395 -5.298 45 HD12 ILE 7 HD12 ILE 7 -8.236 -4.311 -6.196 46 HD13 ILE 7 HD13 ILE 7 -6.934 -5.362 -6.755 47 H SER 8 H SER 8 -7.838 -9.958 -5.987 48 HA SER 8 HA SER 8 -6.297 -10.250 -3.437 49 HB2 SER 8 HB2 SER 8 -6.485 -12.667 -3.505 50 HB3 SER 8 HB3 SER 8 -8.108 -11.984 -3.497 51 HG SER 8 HG SER 8 -7.864 -12.117 -5.898 52 H VAL 9 H VAL 9 -4.219 -11.149 -3.721 53 HA VAL 9 HA VAL 9 -3.246 -11.634 -6.484 54 HB VAL 9 HB VAL 9 -2.036 -9.520 -4.668 55 HG11 VAL 9 HG11 VAL 9 -1.299 -10.574 -7.411 56 HG12 VAL 9 HG12 VAL 9 -0.315 -10.618 -5.948 57 HG13 VAL 9 HG13 VAL 9 -0.650 -9.078 -6.740 58 HG21 VAL 9 HG21 VAL 9 -2.707 -8.001 -6.601 59 HG22 VAL 9 HG22 VAL 9 -4.044 -8.616 -5.631 60 HG23 VAL 9 HG23 VAL 9 -3.690 -9.336 -7.201 61 H GLY 10 H GLY 10 -2.785 -13.765 -5.796 62 HA2 GLY 10 HA2 GLY 10 -1.248 -15.380 -5.006 63 HA3 GLY 10 HA3 GLY 10 -0.293 -14.075 -4.298 64 H ASN 11 H ASN 11 -0.303 -14.008 -2.110 65 HA ASN 11 HA ASN 11 -2.450 -15.471 -0.624 66 HB2 ASN 11 HB2 ASN 11 -0.843 -15.257 1.299 67 HB3 ASN 11 HB3 ASN 11 -0.204 -16.177 -0.065 68 HD21 ASN 11 HD21 ASN 11 1.633 -15.334 -1.164 69 HD22 ASN 11 HD22 ASN 11 2.398 -13.884 -0.724 70 H LEU 12 H LEU 12 -2.000 -12.409 -1.697 71 HA LEU 12 HA LEU 12 -2.823 -11.057 0.838 72 HB2 LEU 12 HB2 LEU 12 -2.174 -9.790 -1.837 73 HB3 LEU 12 HB3 LEU 12 -2.269 -8.996 -0.267 74 HG LEU 12 HG LEU 12 -0.241 -11.129 -1.010 75 HD11 LEU 12 HD11 LEU 12 1.367 -9.335 -1.159 76 HD12 LEU 12 HD12 LEU 12 0.178 -8.156 -0.609 77 HD13 LEU 12 HD13 LEU 12 0.003 -8.910 -2.193 78 HD21 LEU 12 HD21 LEU 12 0.854 -10.168 1.131 79 HD22 LEU 12 HD22 LEU 12 -0.546 -11.214 1.351 80 HD23 LEU 12 HD23 LEU 12 -0.727 -9.464 1.476 81 H ARG 13 H ARG 13 -4.956 -10.930 1.159 82 HA ARG 13 HA ARG 13 -6.814 -10.708 -1.190 83 HB2 ARG 13 HB2 ARG 13 -7.083 -11.871 1.569 84 HB3 ARG 13 HB3 ARG 13 -8.522 -11.364 0.685 85 HG2 ARG 13 HG2 ARG 13 -7.847 -12.841 -1.195 86 HG3 ARG 13 HG3 ARG 13 -6.450 -13.371 -0.257 87 HD2 ARG 13 HD2 ARG 13 -8.180 -15.022 0.048 88 HD3 ARG 13 HD3 ARG 13 -8.060 -14.106 1.550 89 HE ARG 13 HE ARG 13 -10.024 -12.894 -0.151 90 HH11 ARG 13 HH11 ARG 13 -9.385 -15.666 1.797 91 HH12 ARG 13 HH12 ARG 13 -11.051 -15.947 2.178 92 HH21 ARG 13 HH21 ARG 13 -12.202 -13.243 0.339 93 HH22 ARG 13 HH22 ARG 13 -12.646 -14.575 1.352 94 H LEU 14 H LEU 14 -7.619 -8.711 -1.499 95 HA LEU 14 HA LEU 14 -7.529 -6.736 0.752 96 HB2 LEU 14 HB2 LEU 14 -6.276 -6.072 -1.222 97 HB3 LEU 14 HB3 LEU 14 -7.659 -6.398 -2.257 98 HG LEU 14 HG LEU 14 -8.914 -4.563 -1.235 99 HD11 LEU 14 HD11 LEU 14 -7.585 -3.045 0.380 100 HD12 LEU 14 HD12 LEU 14 -6.510 -4.426 0.599 101 HD13 LEU 14 HD13 LEU 14 -8.213 -4.552 1.038 102 HD21 LEU 14 HD21 LEU 14 -7.391 -2.674 -1.894 103 HD22 LEU 14 HD22 LEU 14 -7.489 -3.960 -3.096 104 HD23 LEU 14 HD23 LEU 14 -6.082 -3.846 -2.040 105 H ASN 15 H ASN 15 -9.407 -5.869 1.525 106 HA ASN 15 HA ASN 15 -11.961 -6.294 -0.004 107 HB2 ASN 15 HB2 ASN 15 -11.304 -7.020 2.850 108 HB3 ASN 15 HB3 ASN 15 -12.947 -6.518 2.460 109 HD21 ASN 15 HD21 ASN 15 -11.036 -8.223 0.033 110 HD22 ASN 15 HD22 ASN 15 -11.894 -9.683 0.121 111 H VAL 16 H VAL 16 -12.116 -4.145 -0.647 112 HA VAL 16 HA VAL 16 -11.614 -1.903 1.114 113 HB VAL 16 HB VAL 16 -13.254 -2.003 -1.429 114 HG11 VAL 16 HG11 VAL 16 -12.507 0.411 -1.546 115 HG12 VAL 16 HG12 VAL 16 -11.893 0.234 0.099 116 HG13 VAL 16 HG13 VAL 16 -13.619 0.057 -0.223 117 HG21 VAL 16 HG21 VAL 16 -10.992 -2.903 -1.790 118 HG22 VAL 16 HG22 VAL 16 -10.292 -1.487 -1.005 119 HG23 VAL 16 HG23 VAL 16 -11.144 -1.314 -2.539 120 H THR 17 H THR 17 -14.381 -3.899 0.373 121 HA THR 17 HA THR 17 -16.423 -2.160 1.338 122 HB THR 17 HB THR 17 -17.372 -3.955 0.211 123 HG1 THR 17 HG1 THR 17 -17.185 -5.006 2.838 124 HG21 THR 17 HG21 THR 17 -15.137 -5.590 1.427 125 HG22 THR 17 HG22 THR 17 -15.437 -5.239 -0.273 126 HG23 THR 17 HG23 THR 17 -16.496 -6.345 0.600 127 H ARG 18 H ARG 18 -14.765 -4.875 2.997 128 HA ARG 18 HA ARG 18 -15.836 -3.967 5.600 129 HB2 ARG 18 HB2 ARG 18 -13.847 -6.187 5.033 130 HB3 ARG 18 HB3 ARG 18 -14.806 -5.962 6.496 131 HG2 ARG 18 HG2 ARG 18 -16.880 -6.250 5.138 132 HG3 ARG 18 HG3 ARG 18 -15.875 -6.587 3.729 133 HD2 ARG 18 HD2 ARG 18 -16.513 -8.711 4.672 134 HD3 ARG 18 HD3 ARG 18 -14.808 -8.460 5.050 135 HE ARG 18 HE ARG 18 -16.519 -7.472 7.168 136 HH11 ARG 18 HH11 ARG 18 -15.113 -10.266 5.716 137 HH12 ARG 18 HH12 ARG 18 -15.117 -11.191 7.180 138 HH21 ARG 18 HH21 ARG 18 -16.531 -8.665 9.088 139 HH22 ARG 18 HH22 ARG 18 -15.919 -10.285 9.089 140 H ARG 19 H ARG 19 -13.178 -3.355 3.616 141 HA ARG 19 HA ARG 19 -11.207 -2.157 3.936 142 HB2 ARG 19 HB2 ARG 19 -12.953 -0.673 5.177 143 HB3 ARG 19 HB3 ARG 19 -12.267 -1.340 6.654 144 HG2 ARG 19 HG2 ARG 19 -10.929 0.557 6.407 145 HG3 ARG 19 HG3 ARG 19 -9.952 -0.621 5.536 146 HD2 ARG 19 HD2 ARG 19 -10.118 1.368 4.169 147 HD3 ARG 19 HD3 ARG 19 -11.106 0.123 3.410 148 HE ARG 19 HE ARG 19 -12.859 1.503 5.085 149 HH11 ARG 19 HH11 ARG 19 -10.687 2.221 2.503 150 HH12 ARG 19 HH12 ARG 19 -11.620 3.558 1.915 151 HH21 ARG 19 HH21 ARG 19 -14.088 3.243 4.331 152 HH22 ARG 19 HH22 ARG 19 -13.545 4.136 2.949 153 H LEU 20 H LEU 20 -10.338 -4.436 4.178 154 HA LEU 20 HA LEU 20 -8.595 -4.560 6.467 155 HB2 LEU 20 HB2 LEU 20 -10.654 -5.442 7.510 156 HB3 LEU 20 HB3 LEU 20 -10.795 -6.641 6.227 157 HG LEU 20 HG LEU 20 -8.637 -7.636 6.922 158 HD11 LEU 20 HD11 LEU 20 -7.355 -5.922 7.896 159 HD12 LEU 20 HD12 LEU 20 -7.863 -6.839 9.308 160 HD13 LEU 20 HD13 LEU 20 -8.694 -5.342 8.887 161 HD21 LEU 20 HD21 LEU 20 -9.455 -8.649 8.983 162 HD22 LEU 20 HD22 LEU 20 -10.812 -8.403 7.884 163 HD23 LEU 20 HD23 LEU 20 -10.564 -7.303 9.240 164 H VAL 21 H VAL 21 -6.954 -6.239 6.145 165 HA VAL 21 HA VAL 21 -7.070 -7.639 3.495 166 HB VAL 21 HB VAL 21 -4.578 -6.295 4.570 167 HG11 VAL 21 HG11 VAL 21 -5.343 -7.124 1.754 168 HG12 VAL 21 HG12 VAL 21 -4.428 -8.151 2.857 169 HG13 VAL 21 HG13 VAL 21 -3.754 -6.612 2.321 170 HG21 VAL 21 HG21 VAL 21 -6.016 -4.446 4.234 171 HG22 VAL 21 HG22 VAL 21 -6.782 -5.176 2.823 172 HG23 VAL 21 HG23 VAL 21 -5.131 -4.567 2.716 173 H TRP 22 H TRP 22 -6.345 -9.732 3.582 174 HA TRP 22 HA TRP 22 -5.297 -10.727 6.202 175 HB2 TRP 22 HB2 TRP 22 -6.517 -12.145 3.820 176 HB3 TRP 22 HB3 TRP 22 -5.829 -12.983 5.207 177 HD1 TRP 22 HD1 TRP 22 -7.003 -12.520 7.610 178 HE1 TRP 22 HE1 TRP 22 -9.457 -11.976 8.179 179 HE3 TRP 22 HE3 TRP 22 -8.658 -10.984 3.022 180 HZ2 TRP 22 HZ2 TRP 22 -11.809 -11.020 6.866 181 HZ3 TRP 22 HZ3 TRP 22 -11.006 -10.270 2.716 182 HH2 TRP 22 HH2 TRP 22 -12.583 -10.282 4.628 183 H LEU 23 H LEU 23 -3.148 -11.013 6.329 184 HA LEU 23 HA LEU 23 -1.527 -11.317 3.830 185 HB2 LEU 23 HB2 LEU 23 -0.850 -9.495 5.283 186 HB3 LEU 23 HB3 LEU 23 -0.826 -10.564 6.680 187 HG LEU 23 HG LEU 23 0.907 -11.602 4.527 188 HD11 LEU 23 HD11 LEU 23 1.297 -9.308 3.892 189 HD12 LEU 23 HD12 LEU 23 2.690 -9.830 4.839 190 HD13 LEU 23 HD13 LEU 23 1.455 -8.809 5.575 191 HD21 LEU 23 HD21 LEU 23 1.064 -12.361 6.852 192 HD22 LEU 23 HD22 LEU 23 1.436 -10.723 7.388 193 HD23 LEU 23 HD23 LEU 23 2.582 -11.602 6.376 194 H GLY 24 H GLY 24 -1.271 -13.485 3.341 195 HA2 GLY 24 HA2 GLY 24 -0.685 -15.746 3.684 196 HA3 GLY 24 HA3 GLY 24 0.070 -15.237 5.202 197 H GLU 25 H GLU 25 -3.247 -14.858 4.123 198 HA GLU 25 HA GLU 25 -5.287 -15.550 5.020 199 HB2 GLU 25 HB2 GLU 25 -3.768 -17.732 6.469 200 HB3 GLU 25 HB3 GLU 25 -5.460 -17.724 5.986 201 HG2 GLU 25 HG2 GLU 25 -3.078 -17.766 4.108 202 HG3 GLU 25 HG3 GLU 25 -4.173 -19.108 4.434 203 H THR 26 H THR 26 -2.877 -14.164 6.774 204 HA THR 26 HA THR 26 -4.403 -14.263 9.366 205 HB THR 26 HB THR 26 -2.427 -13.427 10.449 206 HG1 THR 26 HG1 THR 26 -1.866 -12.593 7.975 207 HG21 THR 26 HG21 THR 26 -1.403 -15.489 8.500 208 HG22 THR 26 HG22 THR 26 -2.576 -15.904 9.748 209 HG23 THR 26 HG23 THR 26 -0.985 -15.292 10.198 210 H ALA 27 H ALA 27 -5.321 -12.426 10.179 211 HA ALA 27 HA ALA 27 -5.937 -10.269 8.442 212 HB1 ALA 27 HB1 ALA 27 -7.314 -10.779 10.392 213 HB2 ALA 27 HB2 ALA 27 -6.734 -9.118 10.504 214 HB3 ALA 27 HB3 ALA 27 -5.977 -10.384 11.472 215 H LEU 28 H LEU 28 -4.469 -8.848 7.646 216 HA LEU 28 HA LEU 28 -1.955 -8.287 8.959 217 HB2 LEU 28 HB2 LEU 28 -2.414 -8.170 6.458 218 HB3 LEU 28 HB3 LEU 28 -3.309 -6.688 6.762 219 HG LEU 28 HG LEU 28 -1.277 -5.647 7.704 220 HD11 LEU 28 HD11 LEU 28 0.126 -7.276 8.596 221 HD12 LEU 28 HD12 LEU 28 0.921 -7.033 7.048 222 HD13 LEU 28 HD13 LEU 28 -0.156 -8.404 7.275 223 HD21 LEU 28 HD21 LEU 28 -1.696 -5.294 5.355 224 HD22 LEU 28 HD22 LEU 28 -1.053 -6.883 4.943 225 HD23 LEU 28 HD23 LEU 28 0.028 -5.619 5.519 226 H ASP 29 H ASP 29 -1.626 -6.812 10.578 227 HA ASP 29 HA ASP 29 -3.882 -5.017 11.332 228 HB2 ASP 29 HB2 ASP 29 -1.311 -5.556 12.836 229 HB3 ASP 29 HB3 ASP 29 -2.790 -4.831 13.466 230 H LEU 30 H LEU 30 -3.764 -3.130 10.172 231 HA LEU 30 HA LEU 30 -1.324 -1.469 10.530 232 HB2 LEU 30 HB2 LEU 30 -1.148 -0.894 8.211 233 HB3 LEU 30 HB3 LEU 30 -1.191 -2.650 8.290 234 HG LEU 30 HG LEU 30 -3.510 -0.821 7.570 235 HD11 LEU 30 HD11 LEU 30 -2.069 -2.920 5.931 236 HD12 LEU 30 HD12 LEU 30 -1.708 -1.196 5.856 237 HD13 LEU 30 HD13 LEU 30 -3.296 -1.786 5.369 238 HD21 LEU 30 HD21 LEU 30 -4.558 -2.635 8.671 239 HD22 LEU 30 HD22 LEU 30 -3.354 -3.797 8.114 240 HD23 LEU 30 HD23 LEU 30 -4.554 -3.155 6.992 241 H THR 31 H THR 31 -1.763 0.799 10.415 242 HA THR 31 HA THR 31 -4.338 1.546 11.401 243 HB THR 31 HB THR 31 -3.283 3.941 10.519 244 HG1 THR 31 HG1 THR 31 -1.090 3.767 10.481 245 HG21 THR 31 HG21 THR 31 -1.989 3.944 12.725 246 HG22 THR 31 HG22 THR 31 -2.549 2.285 12.944 247 HG23 THR 31 HG23 THR 31 -3.715 3.605 12.844 248 HA PRO 32 HA PRO 32 -6.811 1.980 7.775 249 HB2 PRO 32 HB2 PRO 32 -8.095 4.416 8.191 250 HB3 PRO 32 HB3 PRO 32 -8.544 2.903 9.004 251 HG2 PRO 32 HG2 PRO 32 -6.813 5.136 10.004 252 HG3 PRO 32 HG3 PRO 32 -8.086 4.234 10.853 253 HD2 PRO 32 HD2 PRO 32 -5.492 3.653 11.269 254 HD3 PRO 32 HD3 PRO 32 -6.709 2.357 11.198 255 H LYS 33 H LYS 33 -4.985 4.949 8.572 256 HA LYS 33 HA LYS 33 -5.117 6.206 6.044 257 HB2 LYS 33 HB2 LYS 33 -2.626 6.149 7.771 258 HB3 LYS 33 HB3 LYS 33 -3.156 7.431 6.683 259 HG2 LYS 33 HG2 LYS 33 -4.538 6.572 9.243 260 HG3 LYS 33 HG3 LYS 33 -3.628 8.061 8.998 261 HD2 LYS 33 HD2 LYS 33 -5.295 8.544 7.074 262 HD3 LYS 33 HD3 LYS 33 -6.283 7.265 7.784 263 HE2 LYS 33 HE2 LYS 33 -7.015 9.390 8.695 264 HE3 LYS 33 HE3 LYS 33 -6.195 8.489 9.971 265 HZ1 LYS 33 HZ1 LYS 33 -4.214 9.891 8.698 266 HZ2 LYS 33 HZ2 LYS 33 -4.898 10.255 10.207 267 HZ3 LYS 33 HZ3 LYS 33 -5.505 10.990 8.799 268 H GLU 34 H GLU 34 -3.066 3.555 7.166 269 HA GLU 34 HA GLU 34 -1.429 3.483 4.785 270 HB2 GLU 34 HB2 GLU 34 -1.975 1.069 6.521 271 HB3 GLU 34 HB3 GLU 34 -0.488 1.506 5.679 272 HG2 GLU 34 HG2 GLU 34 -1.672 2.887 8.101 273 HG3 GLU 34 HG3 GLU 34 -0.196 1.927 8.055 274 H TYR 35 H TYR 35 -4.428 1.918 5.803 275 HA TYR 35 HA TYR 35 -4.717 0.051 3.701 276 HB2 TYR 35 HB2 TYR 35 -6.221 0.366 5.745 277 HB3 TYR 35 HB3 TYR 35 -6.984 1.692 4.869 278 HD1 TYR 35 HD1 TYR 35 -8.073 1.234 2.625 279 HD2 TYR 35 HD2 TYR 35 -6.748 -1.914 5.235 280 HE1 TYR 35 HE1 TYR 35 -9.495 -0.391 1.395 281 HE2 TYR 35 HE2 TYR 35 -8.171 -3.530 4.001 282 HH TYR 35 HH TYR 35 -9.356 -3.047 1.049 283 H ALA 36 H ALA 36 -5.054 3.533 3.740 284 HA ALA 36 HA ALA 36 -6.464 3.732 1.208 285 HB1 ALA 36 HB1 ALA 36 -4.681 5.891 2.365 286 HB2 ALA 36 HB2 ALA 36 -6.255 5.529 3.073 287 HB3 ALA 36 HB3 ALA 36 -6.149 6.074 1.402 288 H LEU 37 H LEU 37 -3.064 4.201 2.181 289 HA LEU 37 HA LEU 37 -2.095 4.581 -0.504 290 HB2 LEU 37 HB2 LEU 37 -0.426 3.407 1.733 291 HB3 LEU 37 HB3 LEU 37 0.099 4.431 0.407 292 HG LEU 37 HG LEU 37 -1.816 5.451 2.527 293 HD11 LEU 37 HD11 LEU 37 0.103 6.400 3.702 294 HD12 LEU 37 HD12 LEU 37 1.206 5.664 2.541 295 HD13 LEU 37 HD13 LEU 37 0.263 4.647 3.628 296 HD21 LEU 37 HD21 LEU 37 -1.209 7.602 1.727 297 HD22 LEU 37 HD22 LEU 37 -1.414 6.640 0.269 298 HD23 LEU 37 HD23 LEU 37 0.201 6.983 0.872 299 H LEU 38 H LEU 38 -2.518 1.753 1.557 300 HA LEU 38 HA LEU 38 -1.167 -0.152 -0.034 301 HB2 LEU 38 HB2 LEU 38 -2.448 -0.270 2.329 302 HB3 LEU 38 HB3 LEU 38 -3.729 -0.947 1.333 303 HG LEU 38 HG LEU 38 -0.872 -1.976 1.430 304 HD11 LEU 38 HD11 LEU 38 -2.004 -3.943 2.576 305 HD12 LEU 38 HD12 LEU 38 -3.428 -2.917 2.751 306 HD13 LEU 38 HD13 LEU 38 -1.913 -2.464 3.531 307 HD21 LEU 38 HD21 LEU 38 -2.049 -3.978 0.288 308 HD22 LEU 38 HD22 LEU 38 -1.771 -2.543 -0.695 309 HD23 LEU 38 HD23 LEU 38 -3.375 -2.858 -0.032 310 H SER 39 H SER 39 -4.520 1.027 -0.246 311 HA SER 39 HA SER 39 -5.381 -0.732 -2.315 312 HB2 SER 39 HB2 SER 39 -7.169 0.856 -2.697 313 HB3 SER 39 HB3 SER 39 -6.865 0.790 -0.964 314 HG SER 39 HG SER 39 -6.688 2.883 -1.221 315 H ARG 40 H ARG 40 -3.902 2.498 -2.472 316 HA ARG 40 HA ARG 40 -3.927 2.824 -5.284 317 HB2 ARG 40 HB2 ARG 40 -1.745 3.667 -3.355 318 HB3 ARG 40 HB3 ARG 40 -2.039 4.358 -4.948 319 HG2 ARG 40 HG2 ARG 40 -4.046 4.384 -2.672 320 HG3 ARG 40 HG3 ARG 40 -2.989 5.733 -3.076 321 HD2 ARG 40 HD2 ARG 40 -4.022 5.508 -5.479 322 HD3 ARG 40 HD3 ARG 40 -5.302 4.615 -4.655 323 HE ARG 40 HE ARG 40 -4.829 7.063 -3.259 324 HH11 ARG 40 HH11 ARG 40 -6.072 5.771 -6.204 325 HH12 ARG 40 HH12 ARG 40 -7.199 7.064 -6.451 326 HH21 ARG 40 HH21 ARG 40 -6.293 8.758 -3.564 327 HH22 ARG 40 HH22 ARG 40 -7.322 8.755 -4.957 328 H LEU 41 H LEU 41 -1.438 1.304 -3.228 329 HA LEU 41 HA LEU 41 0.301 0.571 -5.359 330 HB2 LEU 41 HB2 LEU 41 -0.162 -0.745 -2.670 331 HB3 LEU 41 HB3 LEU 41 1.177 -1.130 -3.740 332 HG LEU 41 HG LEU 41 0.652 1.693 -2.773 333 HD11 LEU 41 HD11 LEU 41 2.543 1.197 -1.130 334 HD12 LEU 41 HD12 LEU 41 2.277 -0.511 -1.482 335 HD13 LEU 41 HD13 LEU 41 0.991 0.449 -0.758 336 HD21 LEU 41 HD21 LEU 41 2.983 0.270 -4.094 337 HD22 LEU 41 HD22 LEU 41 3.211 1.776 -3.210 338 HD23 LEU 41 HD23 LEU 41 2.158 1.737 -4.616 339 H MET 42 H MET 42 -2.480 -1.153 -3.930 340 HA MET 42 HA MET 42 -2.049 -3.528 -5.540 341 HB2 MET 42 HB2 MET 42 -4.395 -2.512 -3.919 342 HB3 MET 42 HB3 MET 42 -4.440 -4.039 -4.799 343 HG2 MET 42 HG2 MET 42 -2.211 -3.426 -2.852 344 HG3 MET 42 HG3 MET 42 -3.737 -4.127 -2.313 345 HE1 MET 42 HE1 MET 42 -3.446 -6.714 -1.757 346 HE2 MET 42 HE2 MET 42 -2.043 -5.719 -1.340 347 HE3 MET 42 HE3 MET 42 -1.817 -7.297 -2.089 348 H MET 43 H MET 43 -4.031 -0.613 -5.866 349 HA MET 43 HA MET 43 -5.651 -1.411 -8.036 350 HB2 MET 43 HB2 MET 43 -4.482 1.274 -7.265 351 HB3 MET 43 HB3 MET 43 -5.535 1.098 -8.669 352 HG2 MET 43 HG2 MET 43 -7.374 0.389 -7.338 353 HG3 MET 43 HG3 MET 43 -6.350 0.096 -5.933 354 HE1 MET 43 HE1 MET 43 -8.363 1.191 -4.931 355 HE2 MET 43 HE2 MET 43 -9.164 2.177 -6.162 356 HE3 MET 43 HE3 MET 43 -8.548 2.927 -4.692 357 H LYS 44 H LYS 44 -2.285 -0.524 -7.894 358 HA LYS 44 HA LYS 44 -2.019 -0.995 -10.859 359 HB2 LYS 44 HB2 LYS 44 -0.583 0.891 -8.980 360 HB3 LYS 44 HB3 LYS 44 0.097 0.444 -10.545 361 HG2 LYS 44 HG2 LYS 44 -1.831 1.338 -11.707 362 HG3 LYS 44 HG3 LYS 44 -2.675 1.617 -10.183 363 HD2 LYS 44 HD2 LYS 44 -0.833 3.191 -9.523 364 HD3 LYS 44 HD3 LYS 44 -0.151 2.997 -11.138 365 HE2 LYS 44 HE2 LYS 44 -2.970 3.962 -10.575 366 HE3 LYS 44 HE3 LYS 44 -1.606 5.022 -10.935 367 HZ1 LYS 44 HZ1 LYS 44 -2.948 3.072 -12.692 368 HZ2 LYS 44 HZ2 LYS 44 -1.344 3.535 -12.996 369 HZ3 LYS 44 HZ3 LYS 44 -2.578 4.704 -12.989 370 H ALA 45 H ALA 45 -2.002 -3.186 -9.154 371 HA ALA 45 HA ALA 45 0.639 -3.829 -8.201 372 HB1 ALA 45 HB1 ALA 45 -0.236 -6.030 -7.791 373 HB2 ALA 45 HB2 ALA 45 -1.554 -5.780 -8.936 374 HB3 ALA 45 HB3 ALA 45 -1.525 -4.888 -7.415 375 H GLY 46 H GLY 46 2.338 -4.611 -9.326 376 HA2 GLY 46 HA2 GLY 46 3.298 -6.131 -11.004 377 HA3 GLY 46 HA3 GLY 46 1.896 -5.840 -12.031 378 H SER 47 H SER 47 2.330 -2.876 -10.985 379 HA SER 47 HA SER 47 4.489 -2.152 -12.949 380 HB2 SER 47 HB2 SER 47 3.059 -0.050 -13.313 381 HB3 SER 47 HB3 SER 47 2.429 -1.545 -13.999 382 HG SER 47 HG SER 47 0.788 -1.390 -12.705 383 HA PRO 48 HA PRO 48 6.104 0.081 -9.451 384 HB2 PRO 48 HB2 PRO 48 7.620 2.008 -10.642 385 HB3 PRO 48 HB3 PRO 48 8.064 0.287 -10.706 386 HG2 PRO 48 HG2 PRO 48 6.648 1.942 -12.769 387 HG3 PRO 48 HG3 PRO 48 7.992 0.801 -12.980 388 HD2 PRO 48 HD2 PRO 48 5.407 0.094 -13.501 389 HD3 PRO 48 HD3 PRO 48 6.595 -1.073 -12.877 390 H VAL 49 H VAL 49 4.841 1.374 -8.173 391 HA VAL 49 HA VAL 49 3.298 3.585 -9.394 392 HB VAL 49 HB VAL 49 3.273 2.411 -6.602 393 HG11 VAL 49 HG11 VAL 49 2.547 4.692 -6.442 394 HG12 VAL 49 HG12 VAL 49 1.081 3.713 -6.479 395 HG13 VAL 49 HG13 VAL 49 1.607 4.565 -7.930 396 HG21 VAL 49 HG21 VAL 49 2.398 0.835 -8.208 397 HG22 VAL 49 HG22 VAL 49 1.462 2.097 -9.010 398 HG23 VAL 49 HG23 VAL 49 1.024 1.570 -7.384 399 H HIS 50 H HIS 50 3.796 5.733 -9.031 400 HA HIS 50 HA HIS 50 6.347 6.364 -7.809 401 HB2 HIS 50 HB2 HIS 50 5.191 7.626 -9.732 402 HB3 HIS 50 HB3 HIS 50 4.164 8.349 -8.499 403 HD1 HIS 50 HD1 HIS 50 5.100 10.717 -8.677 404 HD2 HIS 50 HD2 HIS 50 8.076 7.886 -7.924 405 HE1 HIS 50 HE1 HIS 50 7.213 12.009 -8.145 406 HE2 HIS 50 HE2 HIS 50 9.022 10.297 -7.682 407 H ARG 51 H ARG 51 6.684 6.719 -5.690 408 HA ARG 51 HA ARG 51 4.804 6.338 -3.671 409 HB2 ARG 51 HB2 ARG 51 6.413 7.212 -2.125 410 HB3 ARG 51 HB3 ARG 51 7.319 6.402 -3.397 411 HG2 ARG 51 HG2 ARG 51 6.875 9.400 -3.145 412 HG3 ARG 51 HG3 ARG 51 8.378 8.536 -2.861 413 HD2 ARG 51 HD2 ARG 51 8.141 7.703 -5.303 414 HD3 ARG 51 HD3 ARG 51 6.966 9.007 -5.483 415 HE ARG 51 HE ARG 51 9.833 9.332 -5.332 416 HH11 ARG 51 HH11 ARG 51 6.776 10.679 -4.471 417 HH12 ARG 51 HH12 ARG 51 7.355 12.310 -4.440 418 HH21 ARG 51 HH21 ARG 51 10.604 11.457 -5.296 419 HH22 ARG 51 HH22 ARG 51 9.521 12.751 -4.907 420 H GLU 52 H GLU 52 5.124 9.012 -5.736 421 HA GLU 52 HA GLU 52 4.147 11.075 -4.004 422 HB2 GLU 52 HB2 GLU 52 5.248 11.285 -6.340 423 HB3 GLU 52 HB3 GLU 52 3.638 10.973 -6.987 424 HG2 GLU 52 HG2 GLU 52 2.826 12.879 -5.481 425 HG3 GLU 52 HG3 GLU 52 4.526 13.269 -5.227 426 H ILE 53 H ILE 53 2.431 8.948 -6.356 427 HA ILE 53 HA ILE 53 -0.161 9.976 -5.916 428 HB ILE 53 HB ILE 53 0.426 7.042 -6.374 429 HG12 ILE 53 HG12 ILE 53 1.873 8.192 -7.920 430 HG13 ILE 53 HG13 ILE 53 0.462 7.659 -8.826 431 HG21 ILE 53 HG21 ILE 53 -1.746 8.849 -7.469 432 HG22 ILE 53 HG22 ILE 53 -1.939 7.826 -6.047 433 HG23 ILE 53 HG23 ILE 53 -1.645 7.096 -7.626 434 HD11 ILE 53 HD11 ILE 53 1.110 10.447 -7.859 435 HD12 ILE 53 HD12 ILE 53 -0.518 9.993 -8.365 436 HD13 ILE 53 HD13 ILE 53 0.817 9.907 -9.512 437 H LEU 54 H LEU 54 1.736 7.710 -4.014 438 HA LEU 54 HA LEU 54 -0.408 6.811 -2.314 439 HB2 LEU 54 HB2 LEU 54 2.497 7.104 -1.491 440 HB3 LEU 54 HB3 LEU 54 1.321 5.932 -0.910 441 HG LEU 54 HG LEU 54 2.460 6.062 -3.715 442 HD11 LEU 54 HD11 LEU 54 3.931 5.193 -1.797 443 HD12 LEU 54 HD12 LEU 54 3.682 4.094 -3.153 444 HD13 LEU 54 HD13 LEU 54 2.777 3.866 -1.656 445 HD21 LEU 54 HD21 LEU 54 1.239 3.793 -3.863 446 HD22 LEU 54 HD22 LEU 54 0.235 5.240 -3.935 447 HD23 LEU 54 HD23 LEU 54 0.342 4.314 -2.437 448 H TYR 55 H TYR 55 2.033 9.339 -1.969 449 HA TYR 55 HA TYR 55 1.163 10.356 0.549 450 HB2 TYR 55 HB2 TYR 55 3.285 10.995 -0.753 451 HB3 TYR 55 HB3 TYR 55 2.265 12.097 -1.675 452 HD1 TYR 55 HD1 TYR 55 3.101 11.155 1.856 453 HD2 TYR 55 HD2 TYR 55 1.888 14.282 -0.833 454 HE1 TYR 55 HE1 TYR 55 3.269 12.805 3.697 455 HE2 TYR 55 HE2 TYR 55 2.056 15.930 1.012 456 HH TYR 55 HH TYR 55 3.085 14.933 4.279 457 H ASN 56 H ASN 56 0.047 10.973 -2.726 458 HA ASN 56 HA ASN 56 -1.712 13.138 -2.103 459 HB2 ASN 56 HB2 ASN 56 -1.735 11.117 -4.358 460 HB3 ASN 56 HB3 ASN 56 -2.812 12.510 -4.283 461 HD21 ASN 56 HD21 ASN 56 0.414 11.478 -5.091 462 HD22 ASN 56 HD22 ASN 56 1.029 13.014 -5.473 463 H ASP 57 H ASP 57 -2.011 9.704 -1.615 464 HA ASP 57 HA ASP 57 -4.829 9.456 -1.720 465 HB2 ASP 57 HB2 ASP 57 -2.920 7.668 -1.246 466 HB3 ASP 57 HB3 ASP 57 -3.309 8.008 0.439 467 H ILE 58 H ILE 58 -2.808 10.164 1.142 468 HA ILE 58 HA ILE 58 -5.227 11.098 2.602 469 HB ILE 58 HB ILE 58 -2.377 10.951 3.611 470 HG12 ILE 58 HG12 ILE 58 -2.949 8.723 2.863 471 HG13 ILE 58 HG13 ILE 58 -3.101 8.754 4.617 472 HG21 ILE 58 HG21 ILE 58 -5.071 10.967 5.001 473 HG22 ILE 58 HG22 ILE 58 -3.918 12.301 4.958 474 HG23 ILE 58 HG23 ILE 58 -3.511 10.811 5.808 475 HD11 ILE 58 HD11 ILE 58 -5.287 8.728 2.537 476 HD12 ILE 58 HD12 ILE 58 -5.610 9.300 4.174 477 HD13 ILE 58 HD13 ILE 58 -5.060 7.647 3.910 478 H TYR 59 H TYR 59 -2.161 12.346 1.327 479 HA TYR 59 HA TYR 59 -2.891 15.100 2.239 480 HB2 TYR 59 HB2 TYR 59 -0.342 14.134 0.912 481 HB3 TYR 59 HB3 TYR 59 -0.612 15.703 1.668 482 HD1 TYR 59 HD1 TYR 59 -0.994 15.862 4.134 483 HD2 TYR 59 HD2 TYR 59 0.163 12.184 2.239 484 HE1 TYR 59 HE1 TYR 59 -0.329 14.934 6.337 485 HE2 TYR 59 HE2 TYR 59 0.828 11.258 4.440 486 HH TYR 59 HH TYR 59 1.579 12.240 6.694 487 H SER 60 H SER 60 -1.906 16.720 0.392 488 HA SER 60 HA SER 60 -2.378 15.994 -2.347 489 HB2 SER 60 HB2 SER 60 -4.484 17.370 -2.631 490 HB3 SER 60 HB3 SER 60 -4.712 15.861 -1.753 491 HG SER 60 HG SER 60 -5.031 16.949 0.056 492 H TRP 61 H TRP 61 -2.149 18.451 0.150 493 HA TRP 61 HA TRP 61 -0.439 20.084 -1.595 494 HB2 TRP 61 HB2 TRP 61 -1.870 22.152 -1.129 495 HB3 TRP 61 HB3 TRP 61 -2.533 21.009 -2.297 496 HD1 TRP 61 HD1 TRP 61 -4.765 19.836 -1.728 497 HE1 TRP 61 HE1 TRP 61 -6.420 19.984 0.244 498 HE3 TRP 61 HE3 TRP 61 -1.971 22.560 1.568 499 HZ2 TRP 61 HZ2 TRP 61 -6.543 21.109 2.871 500 HZ3 TRP 61 HZ3 TRP 61 -2.880 23.155 3.795 501 HH2 TRP 61 HH2 TRP 61 -5.160 22.435 4.450 502 H ASP 62 H ASP 62 -1.498 18.993 1.423 503 HA ASP 62 HA ASP 62 -0.445 21.151 3.061 504 HB2 ASP 62 HB2 ASP 62 -2.172 19.464 3.809 505 HB3 ASP 62 HB3 ASP 62 -0.883 18.260 3.851 506 H ASN 63 H ASN 63 1.209 19.531 0.942 507 HA ASN 63 HA ASN 63 3.264 18.066 2.142 508 HB2 ASN 63 HB2 ASN 63 3.453 20.048 -0.145 509 HB3 ASN 63 HB3 ASN 63 4.709 18.880 0.268 510 HD21 ASN 63 HD21 ASN 63 1.278 19.098 -0.755 511 HD22 ASN 63 HD22 ASN 63 1.228 17.555 -1.459 512 H GLU 64 H GLU 64 4.464 21.119 0.971 513 HA GLU 64 HA GLU 64 5.886 22.678 2.001 514 HB2 GLU 64 HB2 GLU 64 3.648 23.197 3.084 515 HB3 GLU 64 HB3 GLU 64 4.157 22.191 4.442 516 HG2 GLU 64 HG2 GLU 64 6.198 23.630 4.670 517 HG3 GLU 64 HG3 GLU 64 5.540 24.687 3.421 518 HA PRO 65 HA PRO 65 8.151 18.941 3.838 519 HB2 PRO 65 HB2 PRO 65 10.243 20.577 2.402 520 HB3 PRO 65 HB3 PRO 65 10.102 18.810 2.541 521 HG2 PRO 65 HG2 PRO 65 9.352 20.020 0.314 522 HG3 PRO 65 HG3 PRO 65 8.371 18.700 0.984 523 HD2 PRO 65 HD2 PRO 65 7.827 21.656 1.027 524 HD3 PRO 65 HD3 PRO 65 6.678 20.302 0.917 525 H ALA 66 H ALA 66 7.634 20.035 5.928 526 HA ALA 66 HA ALA 66 9.385 22.228 6.808 527 HB1 ALA 66 HB1 ALA 66 7.301 20.550 8.231 528 HB2 ALA 66 HB2 ALA 66 7.131 22.214 7.672 529 HB3 ALA 66 HB3 ALA 66 8.213 21.841 9.014 530 H THR 67 H THR 67 9.086 18.733 7.320 531 HA THR 67 HA THR 67 11.890 18.546 8.073 532 HB THR 67 HB THR 67 9.788 17.968 10.187 533 HG1 THR 67 HG1 THR 67 11.041 19.656 11.267 534 HG21 THR 67 HG21 THR 67 11.889 17.655 11.604 535 HG22 THR 67 HG22 THR 67 12.788 17.592 10.087 536 HG23 THR 67 HG23 THR 67 11.552 16.382 10.434 537 H ASN 68 H ASN 68 12.505 16.241 8.421 538 HA ASN 68 HA ASN 68 11.398 14.484 6.533 539 HB2 ASN 68 HB2 ASN 68 12.716 13.641 9.129 540 HB3 ASN 68 HB3 ASN 68 12.651 12.722 7.625 541 HD21 ASN 68 HD21 ASN 68 14.574 14.894 9.401 542 HD22 ASN 68 HD22 ASN 68 15.608 15.384 8.147 543 H THR 69 H THR 69 9.511 13.359 6.487 544 HA THR 69 HA THR 69 8.334 12.200 8.871 545 HB THR 69 HB THR 69 6.856 14.491 7.543 546 HG1 THR 69 HG1 THR 69 8.362 14.243 9.895 547 HG21 THR 69 HG21 THR 69 6.176 12.628 9.828 548 HG22 THR 69 HG22 THR 69 5.307 12.814 8.305 549 HG23 THR 69 HG23 THR 69 5.293 14.117 9.493 550 H LEU 70 H LEU 70 7.662 13.316 5.558 551 HA LEU 70 HA LEU 70 5.638 11.452 4.933 552 HB2 LEU 70 HB2 LEU 70 7.579 12.016 2.721 553 HB3 LEU 70 HB3 LEU 70 5.830 12.209 2.759 554 HG LEU 70 HG LEU 70 6.392 14.206 4.435 555 HD11 LEU 70 HD11 LEU 70 8.888 14.306 2.724 556 HD12 LEU 70 HD12 LEU 70 8.911 13.511 4.294 557 HD13 LEU 70 HD13 LEU 70 8.509 15.222 4.183 558 HD21 LEU 70 HD21 LEU 70 6.860 14.379 1.438 559 HD22 LEU 70 HD22 LEU 70 6.500 15.746 2.495 560 HD23 LEU 70 HD23 LEU 70 5.298 14.482 2.249 561 H GLU 71 H GLU 71 9.173 11.126 4.450 562 HA GLU 71 HA GLU 71 8.983 8.390 3.549 563 HB2 GLU 71 HB2 GLU 71 10.896 10.004 3.109 564 HB3 GLU 71 HB3 GLU 71 11.405 9.726 4.773 565 HG2 GLU 71 HG2 GLU 71 12.656 8.190 3.420 566 HG3 GLU 71 HG3 GLU 71 11.413 7.236 4.229 567 H VAL 72 H VAL 72 9.223 9.898 6.713 568 HA VAL 72 HA VAL 72 10.065 7.489 8.086 569 HB VAL 72 HB VAL 72 8.604 9.871 9.227 570 HG11 VAL 72 HG11 VAL 72 10.485 7.831 10.451 571 HG12 VAL 72 HG12 VAL 72 8.744 7.921 10.719 572 HG13 VAL 72 HG13 VAL 72 9.794 9.212 11.301 573 HG21 VAL 72 HG21 VAL 72 11.552 9.421 8.691 574 HG22 VAL 72 HG22 VAL 72 10.943 10.678 9.767 575 HG23 VAL 72 HG23 VAL 72 10.536 10.713 8.051 576 H HIS 73 H HIS 73 6.936 9.144 7.699 577 HA HIS 73 HA HIS 73 5.349 7.286 9.144 578 HB2 HIS 73 HB2 HIS 73 4.535 9.470 8.156 579 HB3 HIS 73 HB3 HIS 73 4.537 8.689 6.574 580 HD1 HIS 73 HD1 HIS 73 3.057 8.061 10.043 581 HD2 HIS 73 HD2 HIS 73 2.158 7.398 6.023 582 HE1 HIS 73 HE1 HIS 73 0.747 7.017 9.986 583 HE2 HIS 73 HE2 HIS 73 0.192 6.610 7.545 584 H ILE 74 H ILE 74 6.625 7.272 5.884 585 HA ILE 74 HA ILE 74 5.294 4.824 5.076 586 HB ILE 74 HB ILE 74 7.717 6.268 3.968 587 HG12 ILE 74 HG12 ILE 74 4.917 5.965 2.843 588 HG13 ILE 74 HG13 ILE 74 5.405 7.333 3.843 589 HG21 ILE 74 HG21 ILE 74 7.260 4.787 1.934 590 HG22 ILE 74 HG22 ILE 74 6.254 3.799 2.991 591 HG23 ILE 74 HG23 ILE 74 7.978 3.968 3.320 592 HD11 ILE 74 HD11 ILE 74 7.046 8.028 2.246 593 HD12 ILE 74 HD12 ILE 74 5.569 7.710 1.339 594 HD13 ILE 74 HD13 ILE 74 6.881 6.534 1.326 595 H HIS 75 H HIS 75 8.506 5.610 6.382 596 HA HIS 75 HA HIS 75 9.543 2.953 6.282 597 HB2 HIS 75 HB2 HIS 75 10.903 4.998 6.771 598 HB3 HIS 75 HB3 HIS 75 10.135 5.087 8.356 599 HD1 HIS 75 HD1 HIS 75 11.832 2.298 6.353 600 HD2 HIS 75 HD2 HIS 75 11.751 3.867 10.217 601 HE1 HIS 75 HE1 HIS 75 13.437 0.899 7.730 602 HE2 HIS 75 HE2 HIS 75 13.394 1.845 10.083 603 H ASN 76 H ASN 76 7.489 4.614 8.618 604 HA ASN 76 HA ASN 76 7.572 2.472 10.574 605 HB2 ASN 76 HB2 ASN 76 5.590 4.736 10.189 606 HB3 ASN 76 HB3 ASN 76 5.655 3.677 11.599 607 HD21 ASN 76 HD21 ASN 76 6.054 5.975 12.629 608 HD22 ASN 76 HD22 ASN 76 7.676 6.464 12.747 609 H LEU 77 H LEU 77 5.343 3.414 7.965 610 HA LEU 77 HA LEU 77 3.423 1.349 8.572 611 HB2 LEU 77 HB2 LEU 77 2.207 2.379 6.926 612 HB3 LEU 77 HB3 LEU 77 3.511 3.549 6.880 613 HG LEU 77 HG LEU 77 4.609 2.123 5.090 614 HD11 LEU 77 HD11 LEU 77 3.797 0.046 4.719 615 HD12 LEU 77 HD12 LEU 77 2.335 0.755 4.050 616 HD13 LEU 77 HD13 LEU 77 2.406 0.329 5.758 617 HD21 LEU 77 HD21 LEU 77 1.840 2.991 4.247 618 HD22 LEU 77 HD22 LEU 77 3.344 3.099 3.339 619 HD23 LEU 77 HD23 LEU 77 3.064 4.171 4.706 620 H ARG 78 H ARG 78 6.184 1.522 6.366 621 HA ARG 78 HA ARG 78 5.940 -0.894 4.996 622 HB2 ARG 78 HB2 ARG 78 7.751 0.800 4.677 623 HB3 ARG 78 HB3 ARG 78 8.508 0.220 6.158 624 HG2 ARG 78 HG2 ARG 78 8.736 -2.026 5.185 625 HG3 ARG 78 HG3 ARG 78 7.944 -1.476 3.707 626 HD2 ARG 78 HD2 ARG 78 10.595 -0.525 4.823 627 HD3 ARG 78 HD3 ARG 78 10.332 -1.425 3.330 628 HE ARG 78 HE ARG 78 8.818 0.893 3.028 629 HH11 ARG 78 HH11 ARG 78 12.092 0.063 3.727 630 HH12 ARG 78 HH12 ARG 78 12.750 1.482 2.982 631 HH21 ARG 78 HH21 ARG 78 9.660 2.751 2.053 632 HH22 ARG 78 HH22 ARG 78 11.374 3.002 2.034 633 H GLU 79 H GLU 79 7.542 -0.442 8.171 634 HA GLU 79 HA GLU 79 8.151 -3.198 8.559 635 HB2 GLU 79 HB2 GLU 79 7.596 -1.078 10.654 636 HB3 GLU 79 HB3 GLU 79 8.439 -2.603 10.927 637 HG2 GLU 79 HG2 GLU 79 10.227 -1.955 9.427 638 HG3 GLU 79 HG3 GLU 79 9.352 -0.503 8.942 639 H LYS 80 H LYS 80 5.169 -1.416 9.066 640 HA LYS 80 HA LYS 80 3.953 -3.404 10.770 641 HB2 LYS 80 HB2 LYS 80 2.803 -1.136 9.134 642 HB3 LYS 80 HB3 LYS 80 1.824 -2.167 10.178 643 HG2 LYS 80 HG2 LYS 80 3.217 -1.538 12.114 644 HG3 LYS 80 HG3 LYS 80 4.199 -0.506 11.074 645 HD2 LYS 80 HD2 LYS 80 2.131 0.785 10.492 646 HD3 LYS 80 HD3 LYS 80 1.246 -0.179 11.676 647 HE2 LYS 80 HE2 LYS 80 2.899 0.571 13.419 648 HE3 LYS 80 HE3 LYS 80 3.593 1.660 12.217 649 HZ1 LYS 80 HZ1 LYS 80 1.417 2.139 13.850 650 HZ2 LYS 80 HZ2 LYS 80 0.776 1.932 12.293 651 HZ3 LYS 80 HZ3 LYS 80 1.974 3.106 12.569 652 H ILE 81 H ILE 81 3.678 -2.700 7.266 653 HA ILE 81 HA ILE 81 1.814 -4.882 6.852 654 HB ILE 81 HB ILE 81 2.265 -4.430 4.414 655 HG12 ILE 81 HG12 ILE 81 3.975 -2.182 5.508 656 HG13 ILE 81 HG13 ILE 81 4.630 -3.650 4.787 657 HG21 ILE 81 HG21 ILE 81 0.495 -3.255 5.727 658 HG22 ILE 81 HG22 ILE 81 1.156 -2.258 4.430 659 HG23 ILE 81 HG23 ILE 81 1.659 -1.982 6.097 660 HD11 ILE 81 HD11 ILE 81 2.795 -1.662 3.418 661 HD12 ILE 81 HD12 ILE 81 3.384 -3.160 2.700 662 HD13 ILE 81 HD13 ILE 81 4.518 -1.871 3.103 663 H GLY 82 H GLY 82 5.274 -4.615 6.927 664 HA2 GLY 82 HA2 GLY 82 6.813 -6.430 6.943 665 HA3 GLY 82 HA3 GLY 82 5.507 -7.521 6.469 666 H LYS 83 H LYS 83 7.715 -5.059 5.286 667 HA LYS 83 HA LYS 83 7.127 -4.884 2.597 668 HB2 LYS 83 HB2 LYS 83 9.640 -4.677 2.230 669 HB3 LYS 83 HB3 LYS 83 8.958 -3.610 3.456 670 HG2 LYS 83 HG2 LYS 83 9.689 -5.081 5.235 671 HG3 LYS 83 HG3 LYS 83 10.214 -6.297 4.070 672 HD2 LYS 83 HD2 LYS 83 11.844 -4.634 3.147 673 HD3 LYS 83 HD3 LYS 83 11.383 -3.525 4.439 674 HE2 LYS 83 HE2 LYS 83 12.131 -5.106 6.130 675 HE3 LYS 83 HE3 LYS 83 12.468 -6.319 4.895 676 HZ1 LYS 83 HZ1 LYS 83 14.506 -5.467 4.853 677 HZ2 LYS 83 HZ2 LYS 83 14.055 -4.094 5.741 678 HZ3 LYS 83 HZ3 LYS 83 13.839 -4.122 4.056 679 H SER 84 H SER 84 8.027 -7.757 4.239 680 HA SER 84 HA SER 84 9.427 -9.250 2.342 681 HB2 SER 84 HB2 SER 84 8.513 -11.217 3.380 682 HB3 SER 84 HB3 SER 84 8.685 -10.005 4.647 683 HG SER 84 HG SER 84 6.585 -9.922 4.835 684 H ARG 85 H ARG 85 5.892 -8.731 2.516 685 HA ARG 85 HA ARG 85 5.486 -10.206 -0.007 686 HB2 ARG 85 HB2 ARG 85 3.483 -8.497 1.488 687 HB3 ARG 85 HB3 ARG 85 3.149 -9.792 0.339 688 HG2 ARG 85 HG2 ARG 85 4.435 -10.099 3.069 689 HG3 ARG 85 HG3 ARG 85 2.814 -10.618 2.611 690 HD2 ARG 85 HD2 ARG 85 4.054 -12.610 2.432 691 HD3 ARG 85 HD3 ARG 85 4.055 -12.022 0.770 692 HE ARG 85 HE ARG 85 6.341 -11.042 2.269 693 HH11 ARG 85 HH11 ARG 85 4.967 -13.704 0.561 694 HH12 ARG 85 HH12 ARG 85 6.497 -14.379 0.113 695 HH21 ARG 85 HH21 ARG 85 8.349 -11.910 1.691 696 HH22 ARG 85 HH22 ARG 85 8.411 -13.364 0.753 697 H ILE 86 H ILE 86 6.880 -7.338 0.439 698 HA ILE 86 HA ILE 86 5.487 -6.000 -1.873 699 HB ILE 86 HB ILE 86 7.210 -4.702 0.254 700 HG12 ILE 86 HG12 ILE 86 5.205 -5.543 1.339 701 HG13 ILE 86 HG13 ILE 86 5.049 -3.801 1.144 702 HG21 ILE 86 HG21 ILE 86 6.012 -2.633 -0.646 703 HG22 ILE 86 HG22 ILE 86 5.483 -3.643 -1.990 704 HG23 ILE 86 HG23 ILE 86 7.203 -3.368 -1.717 705 HD11 ILE 86 HD11 ILE 86 3.650 -5.997 -0.370 706 HD12 ILE 86 HD12 ILE 86 3.807 -4.393 -1.081 707 HD13 ILE 86 HD13 ILE 86 2.953 -4.602 0.444 708 H ARG 87 H ARG 87 6.945 -4.791 -3.305 709 HA ARG 87 HA ARG 87 9.796 -5.727 -3.317 710 HB2 ARG 87 HB2 ARG 87 8.360 -7.060 -4.932 711 HB3 ARG 87 HB3 ARG 87 8.041 -5.551 -5.785 712 HG2 ARG 87 HG2 ARG 87 10.451 -5.232 -6.158 713 HG3 ARG 87 HG3 ARG 87 10.791 -6.724 -5.282 714 HD2 ARG 87 HD2 ARG 87 9.684 -8.055 -6.942 715 HD3 ARG 87 HD3 ARG 87 9.010 -6.628 -7.729 716 HE ARG 87 HE ARG 87 11.052 -6.385 -8.873 717 HH11 ARG 87 HH11 ARG 87 11.392 -8.319 -6.038 718 HH12 ARG 87 HH12 ARG 87 13.044 -8.731 -6.357 719 HH21 ARG 87 HH21 ARG 87 13.205 -6.913 -9.305 720 HH22 ARG 87 HH22 ARG 87 14.070 -7.935 -8.206 721 H THR 88 H THR 88 10.886 -3.825 -3.015 722 HA THR 88 HA THR 88 9.777 -1.287 -4.035 723 HB THR 88 HB THR 88 11.331 -0.228 -2.639 724 HG1 THR 88 HG1 THR 88 13.253 -0.911 -3.276 725 HG21 THR 88 HG21 THR 88 11.252 -2.926 -1.282 726 HG22 THR 88 HG22 THR 88 9.816 -1.911 -1.409 727 HG23 THR 88 HG23 THR 88 11.233 -1.329 -0.537 728 H VAL 89 H VAL 89 10.564 -0.159 -5.764 729 HA VAL 89 HA VAL 89 12.644 -1.488 -7.457 730 HB VAL 89 HB VAL 89 10.755 0.762 -8.192 731 HG11 VAL 89 HG11 VAL 89 12.390 -1.191 -9.842 732 HG12 VAL 89 HG12 VAL 89 12.745 0.523 -9.626 733 HG13 VAL 89 HG13 VAL 89 11.291 0.027 -10.493 734 HG21 VAL 89 HG21 VAL 89 10.468 -2.246 -8.448 735 HG22 VAL 89 HG22 VAL 89 9.485 -1.098 -9.355 736 HG23 VAL 89 HG23 VAL 89 9.393 -1.138 -7.595 737 H ARG 90 H ARG 90 14.599 -0.718 -6.659 738 HA ARG 90 HA ARG 90 16.296 0.833 -6.168 739 HB2 ARG 90 HB2 ARG 90 14.768 2.588 -8.110 740 HB3 ARG 90 HB3 ARG 90 16.485 2.681 -7.721 741 HG2 ARG 90 HG2 ARG 90 15.130 0.298 -9.029 742 HG3 ARG 90 HG3 ARG 90 16.061 1.522 -9.887 743 HD2 ARG 90 HD2 ARG 90 17.979 0.915 -8.220 744 HD3 ARG 90 HD3 ARG 90 17.043 -0.551 -7.928 745 HE ARG 90 HE ARG 90 17.734 -1.321 -10.041 746 HH11 ARG 90 HH11 ARG 90 18.033 2.104 -9.759 747 HH12 ARG 90 HH12 ARG 90 18.800 2.298 -11.301 748 HH21 ARG 90 HH21 ARG 90 18.734 -1.086 -12.055 749 HH22 ARG 90 HH22 ARG 90 19.195 0.492 -12.600 750 H GLY 91 H GLY 91 13.751 0.936 -4.577 751 HA2 GLY 91 HA2 GLY 91 12.873 2.285 -2.866 752 HA3 GLY 91 HA3 GLY 91 14.356 3.234 -2.990 753 H PHE 92 H PHE 92 13.061 3.164 -6.024 754 HA PHE 92 HA PHE 92 12.211 5.923 -5.890 755 HB2 PHE 92 HB2 PHE 92 13.233 5.244 -7.934 756 HB3 PHE 92 HB3 PHE 92 12.204 3.822 -8.066 757 HD1 PHE 92 HD1 PHE 92 12.051 7.569 -7.985 758 HD2 PHE 92 HD2 PHE 92 10.218 3.929 -9.355 759 HE1 PHE 92 HE1 PHE 92 10.422 8.885 -9.314 760 HE2 PHE 92 HE2 PHE 92 8.592 5.248 -10.680 761 HZ PHE 92 HZ PHE 92 8.691 7.724 -10.660 762 H GLY 93 H GLY 93 10.271 3.518 -7.569 763 HA2 GLY 93 HA2 GLY 93 7.847 4.542 -6.171 764 HA3 GLY 93 HA3 GLY 93 7.863 3.583 -7.651 765 H TYR 94 H TYR 94 6.414 2.026 -6.796 766 HA TYR 94 HA TYR 94 7.727 -0.022 -5.117 767 HB2 TYR 94 HB2 TYR 94 5.321 1.593 -4.267 768 HB3 TYR 94 HB3 TYR 94 5.450 -0.089 -3.753 769 HD1 TYR 94 HD1 TYR 94 7.045 3.254 -3.596 770 HD2 TYR 94 HD2 TYR 94 7.102 -0.785 -2.139 771 HE1 TYR 94 HE1 TYR 94 8.628 3.917 -1.814 772 HE2 TYR 94 HE2 TYR 94 8.683 -0.122 -0.354 773 HH TYR 94 HH TYR 94 9.865 1.529 0.533 774 H MET 95 H MET 95 6.504 -2.061 -5.192 775 HA MET 95 HA MET 95 4.260 -2.270 -7.070 776 HB2 MET 95 HB2 MET 95 6.295 -2.069 -8.548 777 HB3 MET 95 HB3 MET 95 6.889 -3.564 -7.834 778 HG2 MET 95 HG2 MET 95 4.876 -4.749 -8.591 779 HG3 MET 95 HG3 MET 95 4.235 -3.252 -9.266 780 HE1 MET 95 HE1 MET 95 7.090 -5.605 -9.028 781 HE2 MET 95 HE2 MET 95 7.761 -5.780 -10.656 782 HE3 MET 95 HE3 MET 95 6.190 -6.475 -10.268 783 H LEU 96 H LEU 96 3.064 -3.996 -6.508 784 HA LEU 96 HA LEU 96 4.137 -5.885 -4.483 785 HB2 LEU 96 HB2 LEU 96 1.394 -5.216 -5.559 786 HB3 LEU 96 HB3 LEU 96 1.643 -6.723 -4.677 787 HG LEU 96 HG LEU 96 2.462 -5.510 -2.732 788 HD11 LEU 96 HD11 LEU 96 2.202 -3.098 -4.544 789 HD12 LEU 96 HD12 LEU 96 3.647 -3.678 -3.716 790 HD13 LEU 96 HD13 LEU 96 2.331 -2.962 -2.790 791 HD21 LEU 96 HD21 LEU 96 -0.098 -4.391 -3.909 792 HD22 LEU 96 HD22 LEU 96 0.400 -4.124 -2.239 793 HD23 LEU 96 HD23 LEU 96 0.065 -5.758 -2.806 794 H ALA 97 H ALA 97 4.698 -7.964 -4.964 795 HA ALA 97 HA ALA 97 5.174 -8.817 -7.610 796 HB1 ALA 97 HB1 ALA 97 5.388 -11.100 -6.637 797 HB2 ALA 97 HB2 ALA 97 4.693 -10.498 -5.131 798 HB3 ALA 97 HB3 ALA 97 6.251 -9.887 -5.691 799 H ASN 98 H ASN 98 3.654 -9.124 -9.159 800 HA ASN 98 HA ASN 98 0.880 -9.747 -8.490 801 HB2 ASN 98 HB2 ASN 98 1.537 -8.326 -10.447 802 HB3 ASN 98 HB3 ASN 98 2.242 -9.757 -11.202 803 HD21 ASN 98 HD21 ASN 98 0.271 -8.729 -12.715 804 HD22 ASN 98 HD22 ASN 98 -1.185 -9.587 -12.551 805 H ASN 99 H ASN 99 0.742 -11.805 -7.581 806 HA ASN 99 HA ASN 99 0.834 -14.150 -7.465 807 HB2 ASN 99 HB2 ASN 99 0.606 -13.725 -10.460 808 HB3 ASN 99 HB3 ASN 99 0.416 -15.289 -9.665 809 HD21 ASN 99 HD21 ASN 99 -1.548 -15.687 -8.494 810 HD22 ASN 99 HD22 ASN 99 -2.848 -14.593 -8.487 811 H ILE 100 H ILE 100 2.942 -14.494 -6.683 812 HA ILE 100 HA ILE 100 5.330 -14.270 -8.193 813 HB ILE 100 HB ILE 100 4.813 -16.272 -5.974 814 HG12 ILE 100 HG12 ILE 100 5.779 -13.407 -5.719 815 HG13 ILE 100 HG13 ILE 100 4.117 -13.904 -5.410 816 HG21 ILE 100 HG21 ILE 100 7.305 -14.927 -7.061 817 HG22 ILE 100 HG22 ILE 100 6.938 -16.651 -7.056 818 HG23 ILE 100 HG23 ILE 100 7.272 -15.820 -5.541 819 HD11 ILE 100 HD11 ILE 100 4.935 -15.500 -3.689 820 HD12 ILE 100 HD12 ILE 100 5.351 -13.830 -3.302 821 HD13 ILE 100 HD13 ILE 100 6.577 -14.915 -3.957 822 H ASP 101 H ASP 101 2.781 -16.415 -8.484 823 HA ASP 101 HA ASP 101 4.237 -18.728 -9.470 824 HB2 ASP 101 HB2 ASP 101 1.343 -17.945 -9.928 825 HB3 ASP 101 HB3 ASP 101 2.040 -19.545 -10.182 826 H THR 102 H THR 102 2.709 -15.899 -10.940 827 HA THR 102 HA THR 102 2.773 -15.099 -13.149 828 HB THR 102 HB THR 102 5.408 -16.597 -13.222 829 HG1 THR 102 HG1 THR 102 5.628 -15.306 -11.520 830 HG21 THR 102 HG21 THR 102 4.335 -14.187 -14.711 831 HG22 THR 102 HG22 THR 102 4.723 -15.763 -15.398 832 HG23 THR 102 HG23 THR 102 6.012 -14.731 -14.779 833 H GLU 103 H GLU 103 0.986 -16.554 -13.748 834 HA GLU 103 HA GLU 103 1.304 -19.198 -14.706 835 HB2 GLU 103 HB2 GLU 103 -0.780 -18.715 -16.046 836 HB3 GLU 103 HB3 GLU 103 -0.913 -18.312 -14.335 837 HG2 GLU 103 HG2 GLU 103 -0.406 -15.955 -14.840 838 HG3 GLU 103 HG3 GLU 103 -0.257 -16.350 -16.552 Start of MODEL 15 1 H1 ASN 1 H1 ASN 1 -22.931 -7.614 -9.902 2 H2 ASN 1 H2 ASN 1 -22.582 -6.186 -10.752 3 H3 ASN 1 H3 ASN 1 -23.525 -6.128 -9.340 4 HA ASN 1 HA ASN 1 -21.583 -6.967 -8.071 5 HB2 ASN 1 HB2 ASN 1 -20.267 -6.466 -10.756 6 HB3 ASN 1 HB3 ASN 1 -19.376 -6.670 -9.247 7 HD21 ASN 1 HD21 ASN 1 -21.808 -8.367 -11.294 8 HD22 ASN 1 HD22 ASN 1 -21.295 -9.928 -10.866 9 H GLN 2 H GLN 2 -22.839 -4.418 -9.834 10 HA GLN 2 HA GLN 2 -20.970 -2.335 -9.089 11 HB2 GLN 2 HB2 GLN 2 -22.708 -2.249 -10.972 12 HB3 GLN 2 HB3 GLN 2 -23.909 -1.950 -9.716 13 HG2 GLN 2 HG2 GLN 2 -22.675 0.044 -8.982 14 HG3 GLN 2 HG3 GLN 2 -21.430 -0.267 -10.191 15 HE21 GLN 2 HE21 GLN 2 -24.798 0.772 -9.760 16 HE22 GLN 2 HE22 GLN 2 -24.995 1.371 -11.335 17 H GLY 3 H GLY 3 -21.150 -3.581 -6.766 18 HA2 GLY 3 HA2 GLY 3 -22.517 -1.645 -5.024 19 HA3 GLY 3 HA3 GLY 3 -23.126 -3.298 -4.909 20 H ASP 4 H ASP 4 -19.792 -2.946 -5.706 21 HA ASP 4 HA ASP 4 -18.718 -2.831 -3.036 22 HB2 ASP 4 HB2 ASP 4 -17.957 -5.221 -2.927 23 HB3 ASP 4 HB3 ASP 4 -19.706 -5.039 -2.786 24 H ASN 5 H ASN 5 -16.310 -3.619 -3.119 25 HA ASN 5 HA ASN 5 -15.105 -3.703 -5.786 26 HB2 ASN 5 HB2 ASN 5 -15.477 -1.287 -5.539 27 HB3 ASN 5 HB3 ASN 5 -14.676 -1.310 -3.968 28 HD21 ASN 5 HD21 ASN 5 -13.609 -3.151 -6.839 29 HD22 ASN 5 HD22 ASN 5 -12.138 -2.325 -7.023 30 H GLU 6 H GLU 6 -13.422 -5.070 -5.566 31 HA GLU 6 HA GLU 6 -11.570 -4.885 -3.309 32 HB2 GLU 6 HB2 GLU 6 -11.957 -7.148 -2.458 33 HB3 GLU 6 HB3 GLU 6 -13.450 -6.216 -2.351 34 HG2 GLU 6 HG2 GLU 6 -14.090 -7.206 -4.611 35 HG3 GLU 6 HG3 GLU 6 -12.725 -8.306 -4.416 36 H ILE 7 H ILE 7 -9.644 -6.137 -3.690 37 HA ILE 7 HA ILE 7 -9.466 -7.571 -6.311 38 HB ILE 7 HB ILE 7 -7.401 -5.567 -5.349 39 HG12 ILE 7 HG12 ILE 7 -9.339 -5.258 -7.661 40 HG13 ILE 7 HG13 ILE 7 -9.589 -4.517 -6.082 41 HG21 ILE 7 HG21 ILE 7 -7.713 -7.245 -7.849 42 HG22 ILE 7 HG22 ILE 7 -6.378 -7.255 -6.700 43 HG23 ILE 7 HG23 ILE 7 -6.612 -5.873 -7.760 44 HD11 ILE 7 HD11 ILE 7 -7.186 -4.054 -7.868 45 HD12 ILE 7 HD12 ILE 7 -7.453 -3.312 -6.292 46 HD13 ILE 7 HD13 ILE 7 -8.524 -2.928 -7.640 47 H SER 8 H SER 8 -7.575 -8.997 -6.379 48 HA SER 8 HA SER 8 -6.305 -9.616 -3.747 49 HB2 SER 8 HB2 SER 8 -7.828 -11.608 -5.454 50 HB3 SER 8 HB3 SER 8 -6.810 -12.034 -4.082 51 HG SER 8 HG SER 8 -8.987 -10.216 -3.954 52 H VAL 9 H VAL 9 -4.307 -10.591 -3.928 53 HA VAL 9 HA VAL 9 -3.269 -11.260 -6.647 54 HB VAL 9 HB VAL 9 -1.810 -9.407 -4.739 55 HG11 VAL 9 HG11 VAL 9 -0.372 -10.750 -6.219 56 HG12 VAL 9 HG12 VAL 9 -0.351 -9.056 -6.712 57 HG13 VAL 9 HG13 VAL 9 -1.310 -10.226 -7.618 58 HG21 VAL 9 HG21 VAL 9 -2.319 -7.669 -6.503 59 HG22 VAL 9 HG22 VAL 9 -3.731 -8.209 -5.594 60 HG23 VAL 9 HG23 VAL 9 -3.447 -8.818 -7.224 61 H GLY 10 H GLY 10 -3.109 -13.434 -6.015 62 HA2 GLY 10 HA2 GLY 10 -1.808 -15.243 -5.212 63 HA3 GLY 10 HA3 GLY 10 -0.792 -14.091 -4.343 64 H ASN 11 H ASN 11 -0.955 -14.270 -2.172 65 HA ASN 11 HA ASN 11 -3.430 -15.458 -0.980 66 HB2 ASN 11 HB2 ASN 11 -1.983 -15.681 1.058 67 HB3 ASN 11 HB3 ASN 11 -1.363 -16.563 -0.338 68 HD21 ASN 11 HD21 ASN 11 0.240 -15.147 -1.743 69 HD22 ASN 11 HD22 ASN 11 1.347 -14.203 -0.869 70 H LEU 12 H LEU 12 -2.545 -12.473 -1.816 71 HA LEU 12 HA LEU 12 -3.257 -11.146 0.758 72 HB2 LEU 12 HB2 LEU 12 -1.226 -10.318 -0.184 73 HB3 LEU 12 HB3 LEU 12 -1.915 -10.256 -1.800 74 HG LEU 12 HG LEU 12 -3.372 -8.426 -1.154 75 HD11 LEU 12 HD11 LEU 12 -2.209 -8.932 1.597 76 HD12 LEU 12 HD12 LEU 12 -3.907 -8.893 1.128 77 HD13 LEU 12 HD13 LEU 12 -2.975 -7.401 1.174 78 HD21 LEU 12 HD21 LEU 12 -1.664 -6.713 -0.746 79 HD22 LEU 12 HD22 LEU 12 -1.050 -7.922 -1.874 80 HD23 LEU 12 HD23 LEU 12 -0.538 -7.950 -0.188 81 H ARG 13 H ARG 13 -5.247 -10.339 0.951 82 HA ARG 13 HA ARG 13 -6.923 -9.853 -1.502 83 HB2 ARG 13 HB2 ARG 13 -7.786 -10.933 1.195 84 HB3 ARG 13 HB3 ARG 13 -8.880 -10.510 -0.120 85 HG2 ARG 13 HG2 ARG 13 -7.658 -12.149 -1.580 86 HG3 ARG 13 HG3 ARG 13 -6.734 -12.649 -0.162 87 HD2 ARG 13 HD2 ARG 13 -9.757 -12.742 -0.381 88 HD3 ARG 13 HD3 ARG 13 -8.688 -14.132 -0.571 89 HE ARG 13 HE ARG 13 -8.020 -13.043 1.913 90 HH11 ARG 13 HH11 ARG 13 -10.832 -14.236 0.312 91 HH12 ARG 13 HH12 ARG 13 -11.581 -14.803 1.766 92 HH21 ARG 13 HH21 ARG 13 -8.983 -13.776 3.821 93 HH22 ARG 13 HH22 ARG 13 -10.534 -14.544 3.753 94 H LEU 14 H LEU 14 -7.876 -7.865 -1.594 95 HA LEU 14 HA LEU 14 -7.800 -6.120 0.853 96 HB2 LEU 14 HB2 LEU 14 -5.982 -5.531 -0.716 97 HB3 LEU 14 HB3 LEU 14 -7.161 -5.325 -2.007 98 HG LEU 14 HG LEU 14 -7.777 -3.776 0.472 99 HD11 LEU 14 HD11 LEU 14 -5.337 -3.123 -1.201 100 HD12 LEU 14 HD12 LEU 14 -5.382 -3.460 0.529 101 HD13 LEU 14 HD13 LEU 14 -6.118 -1.986 -0.100 102 HD21 LEU 14 HD21 LEU 14 -7.612 -3.051 -2.474 103 HD22 LEU 14 HD22 LEU 14 -8.204 -1.985 -1.202 104 HD23 LEU 14 HD23 LEU 14 -9.076 -3.467 -1.586 105 H ASN 15 H ASN 15 -9.810 -5.495 1.372 106 HA ASN 15 HA ASN 15 -11.919 -5.361 -0.771 107 HB2 ASN 15 HB2 ASN 15 -12.098 -5.888 2.206 108 HB3 ASN 15 HB3 ASN 15 -13.503 -5.619 1.176 109 HD21 ASN 15 HD21 ASN 15 -14.316 -7.806 1.355 110 HD22 ASN 15 HD22 ASN 15 -13.499 -9.129 0.676 111 H VAL 16 H VAL 16 -12.052 -3.243 -1.402 112 HA VAL 16 HA VAL 16 -11.541 -1.000 0.362 113 HB VAL 16 HB VAL 16 -13.042 -1.025 -2.269 114 HG11 VAL 16 HG11 VAL 16 -13.313 1.067 -1.097 115 HG12 VAL 16 HG12 VAL 16 -12.120 1.325 -2.370 116 HG13 VAL 16 HG13 VAL 16 -11.596 1.125 -0.698 117 HG21 VAL 16 HG21 VAL 16 -10.803 -2.096 -2.447 118 HG22 VAL 16 HG22 VAL 16 -10.078 -0.650 -1.746 119 HG23 VAL 16 HG23 VAL 16 -10.874 -0.563 -3.317 120 H THR 17 H THR 17 -14.374 -2.840 -0.544 121 HA THR 17 HA THR 17 -16.330 -0.935 0.325 122 HB THR 17 HB THR 17 -17.372 -2.585 -0.931 123 HG1 THR 17 HG1 THR 17 -18.074 -2.596 1.444 124 HG21 THR 17 HG21 THR 17 -16.751 -5.052 -0.632 125 HG22 THR 17 HG22 THR 17 -15.401 -4.486 0.347 126 HG23 THR 17 HG23 THR 17 -15.518 -4.014 -1.345 127 H ARG 18 H ARG 18 -15.027 -3.846 1.968 128 HA ARG 18 HA ARG 18 -16.192 -2.968 4.529 129 HB2 ARG 18 HB2 ARG 18 -14.289 -5.262 3.950 130 HB3 ARG 18 HB3 ARG 18 -15.241 -5.032 5.418 131 HG2 ARG 18 HG2 ARG 18 -17.318 -5.115 3.990 132 HG3 ARG 18 HG3 ARG 18 -16.292 -5.570 2.628 133 HD2 ARG 18 HD2 ARG 18 -17.270 -7.560 3.733 134 HD3 ARG 18 HD3 ARG 18 -15.511 -7.549 3.855 135 HE ARG 18 HE ARG 18 -16.560 -6.268 6.167 136 HH11 ARG 18 HH11 ARG 18 -16.444 -9.333 4.590 137 HH12 ARG 18 HH12 ARG 18 -16.544 -10.243 6.060 138 HH21 ARG 18 HH21 ARG 18 -16.691 -7.439 8.096 139 HH22 ARG 18 HH22 ARG 18 -16.684 -9.170 8.045 140 H ARG 19 H ARG 19 -13.272 -2.613 2.765 141 HA ARG 19 HA ARG 19 -11.309 -1.454 3.252 142 HB2 ARG 19 HB2 ARG 19 -13.178 0.016 4.452 143 HB3 ARG 19 HB3 ARG 19 -12.431 -0.583 5.924 144 HG2 ARG 19 HG2 ARG 19 -10.878 0.785 3.698 145 HG3 ARG 19 HG3 ARG 19 -11.530 1.633 5.094 146 HD2 ARG 19 HD2 ARG 19 -9.467 -0.585 5.127 147 HD3 ARG 19 HD3 ARG 19 -9.215 1.104 5.551 148 HE ARG 19 HE ARG 19 -11.274 -0.000 7.213 149 HH11 ARG 19 HH11 ARG 19 -7.882 -0.058 6.594 150 HH12 ARG 19 HH12 ARG 19 -7.456 -0.444 8.229 151 HH21 ARG 19 HH21 ARG 19 -10.737 -0.503 9.350 152 HH22 ARG 19 HH22 ARG 19 -9.073 -0.697 9.788 153 H LEU 20 H LEU 20 -10.768 -3.890 3.556 154 HA LEU 20 HA LEU 20 -9.306 -4.177 6.099 155 HB2 LEU 20 HB2 LEU 20 -11.370 -6.159 5.094 156 HB3 LEU 20 HB3 LEU 20 -10.131 -6.589 6.268 157 HG LEU 20 HG LEU 20 -12.175 -4.374 6.649 158 HD11 LEU 20 HD11 LEU 20 -13.239 -6.576 6.615 159 HD12 LEU 20 HD12 LEU 20 -13.211 -5.947 8.261 160 HD13 LEU 20 HD13 LEU 20 -12.055 -7.186 7.771 161 HD21 LEU 20 HD21 LEU 20 -10.428 -3.770 8.088 162 HD22 LEU 20 HD22 LEU 20 -9.888 -5.434 8.312 163 HD23 LEU 20 HD23 LEU 20 -11.335 -4.851 9.135 164 H VAL 21 H VAL 21 -7.620 -5.852 5.926 165 HA VAL 21 HA VAL 21 -7.056 -6.802 3.149 166 HB VAL 21 HB VAL 21 -5.012 -5.423 4.908 167 HG11 VAL 21 HG11 VAL 21 -4.959 -6.422 2.046 168 HG12 VAL 21 HG12 VAL 21 -4.055 -7.091 3.405 169 HG13 VAL 21 HG13 VAL 21 -3.674 -5.478 2.800 170 HG21 VAL 21 HG21 VAL 21 -5.141 -3.636 3.116 171 HG22 VAL 21 HG22 VAL 21 -6.557 -3.746 4.159 172 HG23 VAL 21 HG23 VAL 21 -6.606 -4.428 2.533 173 H TRP 22 H TRP 22 -6.449 -8.915 3.194 174 HA TRP 22 HA TRP 22 -5.658 -10.125 5.820 175 HB2 TRP 22 HB2 TRP 22 -6.730 -11.352 3.263 176 HB3 TRP 22 HB3 TRP 22 -6.216 -12.281 4.671 177 HD1 TRP 22 HD1 TRP 22 -7.835 -12.452 6.676 178 HE1 TRP 22 HE1 TRP 22 -10.215 -11.579 7.144 179 HE3 TRP 22 HE3 TRP 22 -8.390 -9.243 2.740 180 HZ2 TRP 22 HZ2 TRP 22 -12.104 -9.760 6.002 181 HZ3 TRP 22 HZ3 TRP 22 -10.486 -7.955 2.457 182 HH2 TRP 22 HH2 TRP 22 -12.342 -8.207 4.081 183 H LEU 23 H LEU 23 -3.789 -11.400 5.942 184 HA LEU 23 HA LEU 23 -1.938 -11.414 3.586 185 HB2 LEU 23 HB2 LEU 23 -1.251 -9.580 5.074 186 HB3 LEU 23 HB3 LEU 23 -1.264 -10.670 6.457 187 HG LEU 23 HG LEU 23 0.559 -11.990 5.430 188 HD11 LEU 23 HD11 LEU 23 0.131 -10.029 3.175 189 HD12 LEU 23 HD12 LEU 23 0.321 -11.781 3.099 190 HD13 LEU 23 HD13 LEU 23 1.717 -10.760 3.421 191 HD21 LEU 23 HD21 LEU 23 1.109 -10.100 6.922 192 HD22 LEU 23 HD22 LEU 23 1.113 -9.005 5.538 193 HD23 LEU 23 HD23 LEU 23 2.328 -10.276 5.662 194 H GLY 24 H GLY 24 -2.056 -13.624 3.194 195 HA2 GLY 24 HA2 GLY 24 -1.538 -15.897 3.583 196 HA3 GLY 24 HA3 GLY 24 -0.806 -15.412 5.117 197 H GLU 25 H GLU 25 -4.089 -14.808 3.993 198 HA GLU 25 HA GLU 25 -6.171 -15.488 4.806 199 HB2 GLU 25 HB2 GLU 25 -4.903 -17.799 4.781 200 HB3 GLU 25 HB3 GLU 25 -4.863 -17.601 6.531 201 HG2 GLU 25 HG2 GLU 25 -7.337 -17.294 6.522 202 HG3 GLU 25 HG3 GLU 25 -7.342 -17.606 4.786 203 H THR 26 H THR 26 -3.591 -14.453 6.744 204 HA THR 26 HA THR 26 -5.232 -14.216 9.214 205 HB THR 26 HB THR 26 -3.209 -13.415 10.271 206 HG1 THR 26 HG1 THR 26 -2.406 -12.143 8.614 207 HG21 THR 26 HG21 THR 26 -2.397 -15.634 8.383 208 HG22 THR 26 HG22 THR 26 -3.471 -15.887 9.758 209 HG23 THR 26 HG23 THR 26 -1.813 -15.349 10.022 210 H ALA 27 H ALA 27 -5.980 -12.240 9.999 211 HA ALA 27 HA ALA 27 -6.498 -10.167 8.089 212 HB1 ALA 27 HB1 ALA 27 -8.007 -10.468 9.947 213 HB2 ALA 27 HB2 ALA 27 -7.272 -8.873 10.113 214 HB3 ALA 27 HB3 ALA 27 -6.706 -10.214 11.110 215 H LEU 28 H LEU 28 -5.014 -8.752 7.326 216 HA LEU 28 HA LEU 28 -2.505 -8.249 8.709 217 HB2 LEU 28 HB2 LEU 28 -2.823 -8.244 6.193 218 HB3 LEU 28 HB3 LEU 28 -3.705 -6.736 6.371 219 HG LEU 28 HG LEU 28 -1.702 -5.696 7.403 220 HD11 LEU 28 HD11 LEU 28 0.494 -7.131 6.864 221 HD12 LEU 28 HD12 LEU 28 -0.617 -8.481 7.073 222 HD13 LEU 28 HD13 LEU 28 -0.371 -7.331 8.384 223 HD21 LEU 28 HD21 LEU 28 -2.008 -5.370 5.038 224 HD22 LEU 28 HD22 LEU 28 -1.401 -6.985 4.674 225 HD23 LEU 28 HD23 LEU 28 -0.302 -5.745 5.273 226 H ASP 29 H ASP 29 -2.110 -6.613 10.162 227 HA ASP 29 HA ASP 29 -4.344 -4.732 10.775 228 HB2 ASP 29 HB2 ASP 29 -2.964 -4.247 12.818 229 HB3 ASP 29 HB3 ASP 29 -3.479 -5.928 12.682 230 H LEU 30 H LEU 30 -4.182 -3.012 9.388 231 HA LEU 30 HA LEU 30 -1.636 -1.432 9.450 232 HB2 LEU 30 HB2 LEU 30 -1.784 -0.968 7.110 233 HB3 LEU 30 HB3 LEU 30 -1.958 -2.706 7.276 234 HG LEU 30 HG LEU 30 -4.225 -0.721 6.866 235 HD11 LEU 30 HD11 LEU 30 -3.031 -2.852 5.071 236 HD12 LEU 30 HD12 LEU 30 -2.854 -1.109 4.868 237 HD13 LEU 30 HD13 LEU 30 -4.438 -1.862 4.685 238 HD21 LEU 30 HD21 LEU 30 -4.166 -3.686 7.468 239 HD22 LEU 30 HD22 LEU 30 -5.459 -3.025 6.466 240 HD23 LEU 30 HD23 LEU 30 -5.241 -2.445 8.110 241 H THR 31 H THR 31 -1.931 0.779 9.689 242 HA THR 31 HA THR 31 -4.397 1.662 10.808 243 HB THR 31 HB THR 31 -3.401 3.895 10.795 244 HG1 THR 31 HG1 THR 31 -2.253 2.964 8.599 245 HG21 THR 31 HG21 THR 31 -1.352 1.718 11.289 246 HG22 THR 31 HG22 THR 31 -2.556 2.283 12.446 247 HG23 THR 31 HG23 THR 31 -1.264 3.362 11.919 248 HA PRO 32 HA PRO 32 -7.047 2.657 7.347 249 HB2 PRO 32 HB2 PRO 32 -7.088 5.455 8.479 250 HB3 PRO 32 HB3 PRO 32 -8.444 4.455 7.915 251 HG2 PRO 32 HG2 PRO 32 -7.953 4.736 10.514 252 HG3 PRO 32 HG3 PRO 32 -8.478 3.177 9.848 253 HD2 PRO 32 HD2 PRO 32 -5.765 3.976 10.830 254 HD3 PRO 32 HD3 PRO 32 -6.533 2.371 10.790 255 H LYS 33 H LYS 33 -4.675 5.219 8.138 256 HA LYS 33 HA LYS 33 -4.527 6.464 5.617 257 HB2 LYS 33 HB2 LYS 33 -2.494 6.025 7.811 258 HB3 LYS 33 HB3 LYS 33 -2.046 6.874 6.335 259 HG2 LYS 33 HG2 LYS 33 -2.731 8.493 8.025 260 HG3 LYS 33 HG3 LYS 33 -3.917 8.474 6.721 261 HD2 LYS 33 HD2 LYS 33 -5.477 7.219 8.010 262 HD3 LYS 33 HD3 LYS 33 -4.259 6.789 9.213 263 HE2 LYS 33 HE2 LYS 33 -5.770 8.574 10.037 264 HE3 LYS 33 HE3 LYS 33 -4.102 9.137 9.917 265 HZ1 LYS 33 HZ1 LYS 33 -6.029 10.550 8.936 266 HZ2 LYS 33 HZ2 LYS 33 -5.904 9.483 7.623 267 HZ3 LYS 33 HZ3 LYS 33 -4.562 10.414 8.090 268 H GLU 34 H GLU 34 -2.696 3.637 6.806 269 HA GLU 34 HA GLU 34 -1.091 3.203 4.525 270 HB2 GLU 34 HB2 GLU 34 -2.354 1.196 6.407 271 HB3 GLU 34 HB3 GLU 34 -1.096 0.800 5.240 272 HG2 GLU 34 HG2 GLU 34 0.448 2.317 6.301 273 HG3 GLU 34 HG3 GLU 34 -0.803 2.925 7.378 274 H TYR 35 H TYR 35 -4.385 2.029 5.213 275 HA TYR 35 HA TYR 35 -4.717 0.452 2.901 276 HB2 TYR 35 HB2 TYR 35 -6.297 0.737 4.926 277 HB3 TYR 35 HB3 TYR 35 -6.945 2.136 4.073 278 HD1 TYR 35 HD1 TYR 35 -7.776 1.793 1.644 279 HD2 TYR 35 HD2 TYR 35 -7.026 -1.449 4.363 280 HE1 TYR 35 HE1 TYR 35 -9.147 0.284 0.229 281 HE2 TYR 35 HE2 TYR 35 -8.409 -2.950 2.947 282 HH TYR 35 HH TYR 35 -9.569 -3.151 1.092 283 H ALA 36 H ALA 36 -4.767 3.949 3.260 284 HA ALA 36 HA ALA 36 -6.037 4.458 0.694 285 HB1 ALA 36 HB1 ALA 36 -4.265 6.297 2.328 286 HB2 ALA 36 HB2 ALA 36 -5.999 6.103 2.583 287 HB3 ALA 36 HB3 ALA 36 -5.402 6.777 1.067 288 H LEU 37 H LEU 37 -2.645 4.786 1.829 289 HA LEU 37 HA LEU 37 -1.530 5.342 -0.729 290 HB2 LEU 37 HB2 LEU 37 -0.151 5.697 1.171 291 HB3 LEU 37 HB3 LEU 37 -0.431 4.078 1.794 292 HG LEU 37 HG LEU 37 0.853 4.191 -0.916 293 HD11 LEU 37 HD11 LEU 37 3.075 4.716 -0.055 294 HD12 LEU 37 HD12 LEU 37 2.423 4.951 1.566 295 HD13 LEU 37 HD13 LEU 37 1.993 6.068 0.273 296 HD21 LEU 37 HD21 LEU 37 2.235 2.387 0.057 297 HD22 LEU 37 HD22 LEU 37 0.524 2.056 0.314 298 HD23 LEU 37 HD23 LEU 37 1.507 2.674 1.637 299 H LEU 38 H LEU 38 -2.148 2.310 0.964 300 HA LEU 38 HA LEU 38 -1.055 0.545 -0.980 301 HB2 LEU 38 HB2 LEU 38 -1.591 -0.228 1.251 302 HB3 LEU 38 HB3 LEU 38 -3.283 0.202 1.041 303 HG LEU 38 HG LEU 38 -3.589 -1.537 -0.617 304 HD11 LEU 38 HD11 LEU 38 -0.579 -1.780 -0.421 305 HD12 LEU 38 HD12 LEU 38 -1.572 -1.566 -1.862 306 HD13 LEU 38 HD13 LEU 38 -1.569 -3.112 -1.022 307 HD21 LEU 38 HD21 LEU 38 -2.009 -2.503 1.787 308 HD22 LEU 38 HD22 LEU 38 -3.028 -3.529 0.777 309 HD23 LEU 38 HD23 LEU 38 -3.750 -2.227 1.723 310 H SER 39 H SER 39 -4.341 1.862 -0.591 311 HA SER 39 HA SER 39 -5.680 0.436 -2.587 312 HB2 SER 39 HB2 SER 39 -5.976 3.351 -1.828 313 HB3 SER 39 HB3 SER 39 -7.119 2.471 -2.837 314 HG SER 39 HG SER 39 -7.930 1.690 -1.075 315 H ARG 40 H ARG 40 -3.474 3.210 -3.010 316 HA ARG 40 HA ARG 40 -4.061 3.420 -5.863 317 HB2 ARG 40 HB2 ARG 40 -3.190 5.307 -4.386 318 HB3 ARG 40 HB3 ARG 40 -1.632 4.489 -4.403 319 HG2 ARG 40 HG2 ARG 40 -1.619 6.172 -6.145 320 HG3 ARG 40 HG3 ARG 40 -1.654 4.586 -6.908 321 HD2 ARG 40 HD2 ARG 40 -3.827 4.870 -7.698 322 HD3 ARG 40 HD3 ARG 40 -4.294 5.924 -6.364 323 HE ARG 40 HE ARG 40 -3.115 6.776 -8.884 324 HH11 ARG 40 HH11 ARG 40 -3.465 7.406 -5.513 325 HH12 ARG 40 HH12 ARG 40 -3.234 9.116 -5.673 326 HH21 ARG 40 HH21 ARG 40 -2.818 9.004 -9.113 327 HH22 ARG 40 HH22 ARG 40 -2.868 10.020 -7.711 328 H LEU 41 H LEU 41 -1.511 1.907 -3.901 329 HA LEU 41 HA LEU 41 0.195 1.148 -6.034 330 HB2 LEU 41 HB2 LEU 41 -0.392 -0.082 -3.339 331 HB3 LEU 41 HB3 LEU 41 0.744 -0.846 -4.443 332 HG LEU 41 HG LEU 41 0.965 2.055 -3.577 333 HD11 LEU 41 HD11 LEU 41 1.208 0.782 -1.569 334 HD12 LEU 41 HD12 LEU 41 2.845 1.152 -2.102 335 HD13 LEU 41 HD13 LEU 41 2.167 -0.453 -2.380 336 HD21 LEU 41 HD21 LEU 41 3.465 1.431 -4.228 337 HD22 LEU 41 HD22 LEU 41 2.317 1.855 -5.488 338 HD23 LEU 41 HD23 LEU 41 2.698 0.163 -5.178 339 H MET 42 H MET 42 -2.650 -0.535 -4.669 340 HA MET 42 HA MET 42 -2.441 -2.801 -6.421 341 HB2 MET 42 HB2 MET 42 -4.756 -1.620 -4.869 342 HB3 MET 42 HB3 MET 42 -4.887 -3.113 -5.799 343 HG2 MET 42 HG2 MET 42 -2.783 -2.686 -3.665 344 HG3 MET 42 HG3 MET 42 -4.349 -3.426 -3.337 345 HE1 MET 42 HE1 MET 42 -3.985 -5.766 -2.728 346 HE2 MET 42 HE2 MET 42 -2.356 -5.157 -2.401 347 HE3 MET 42 HE3 MET 42 -2.576 -6.696 -3.230 348 H MET 43 H MET 43 -3.840 0.391 -6.761 349 HA MET 43 HA MET 43 -5.551 -0.123 -8.978 350 HB2 MET 43 HB2 MET 43 -5.453 2.015 -7.622 351 HB3 MET 43 HB3 MET 43 -3.979 2.422 -8.501 352 HG2 MET 43 HG2 MET 43 -5.240 2.214 -10.643 353 HG3 MET 43 HG3 MET 43 -6.712 1.924 -9.717 354 HE1 MET 43 HE1 MET 43 -7.343 5.465 -11.035 355 HE2 MET 43 HE2 MET 43 -7.734 3.741 -11.093 356 HE3 MET 43 HE3 MET 43 -6.288 4.347 -11.895 357 H LYS 44 H LYS 44 -2.101 0.436 -8.713 358 HA LYS 44 HA LYS 44 -1.795 -0.095 -11.665 359 HB2 LYS 44 HB2 LYS 44 -0.274 1.762 -9.818 360 HB3 LYS 44 HB3 LYS 44 0.338 1.279 -11.400 361 HG2 LYS 44 HG2 LYS 44 -1.708 2.171 -12.463 362 HG3 LYS 44 HG3 LYS 44 -2.308 2.667 -10.880 363 HD2 LYS 44 HD2 LYS 44 -0.452 4.203 -10.595 364 HD3 LYS 44 HD3 LYS 44 0.306 3.625 -12.079 365 HE2 LYS 44 HE2 LYS 44 -1.484 4.510 -13.428 366 HE3 LYS 44 HE3 LYS 44 -2.446 4.887 -11.999 367 HZ1 LYS 44 HZ1 LYS 44 0.161 6.058 -11.905 368 HZ2 LYS 44 HZ2 LYS 44 -1.357 6.786 -11.701 369 HZ3 LYS 44 HZ3 LYS 44 -0.721 6.575 -13.262 370 H ALA 45 H ALA 45 -1.876 -2.242 -9.882 371 HA ALA 45 HA ALA 45 0.717 -2.942 -8.861 372 HB1 ALA 45 HB1 ALA 45 -0.289 -5.296 -8.843 373 HB2 ALA 45 HB2 ALA 45 -1.751 -4.563 -9.505 374 HB3 ALA 45 HB3 ALA 45 -1.158 -4.074 -7.920 375 H GLY 46 H GLY 46 2.398 -3.994 -9.838 376 HA2 GLY 46 HA2 GLY 46 3.389 -5.473 -11.491 377 HA3 GLY 46 HA3 GLY 46 2.030 -5.158 -12.568 378 H SER 47 H SER 47 2.498 -2.187 -11.595 379 HA SER 47 HA SER 47 4.692 -1.574 -13.561 380 HB2 SER 47 HB2 SER 47 3.445 0.261 -14.350 381 HB3 SER 47 HB3 SER 47 2.196 -0.949 -14.078 382 HG SER 47 HG SER 47 1.622 1.026 -13.128 383 HA PRO 48 HA PRO 48 6.541 0.509 -10.075 384 HB2 PRO 48 HB2 PRO 48 8.209 2.283 -11.279 385 HB3 PRO 48 HB3 PRO 48 8.485 0.530 -11.379 386 HG2 PRO 48 HG2 PRO 48 7.189 2.345 -13.384 387 HG3 PRO 48 HG3 PRO 48 8.417 1.089 -13.643 388 HD2 PRO 48 HD2 PRO 48 5.758 0.637 -14.107 389 HD3 PRO 48 HD3 PRO 48 6.856 -0.647 -13.551 390 H VAL 49 H VAL 49 5.425 1.913 -8.789 391 HA VAL 49 HA VAL 49 4.121 4.291 -10.000 392 HB VAL 49 HB VAL 49 3.819 3.078 -7.244 393 HG11 VAL 49 HG11 VAL 49 1.728 4.531 -7.275 394 HG12 VAL 49 HG12 VAL 49 2.393 5.318 -8.706 395 HG13 VAL 49 HG13 VAL 49 3.251 5.413 -7.169 396 HG21 VAL 49 HG21 VAL 49 3.022 1.665 -9.181 397 HG22 VAL 49 HG22 VAL 49 1.930 2.981 -9.612 398 HG23 VAL 49 HG23 VAL 49 1.743 2.151 -8.068 399 H HIS 50 H HIS 50 4.726 6.361 -9.439 400 HA HIS 50 HA HIS 50 7.275 6.694 -8.036 401 HB2 HIS 50 HB2 HIS 50 6.535 8.076 -10.033 402 HB3 HIS 50 HB3 HIS 50 5.361 8.851 -8.972 403 HD1 HIS 50 HD1 HIS 50 7.098 10.918 -9.848 404 HD2 HIS 50 HD2 HIS 50 8.437 8.348 -6.846 405 HE1 HIS 50 HE1 HIS 50 8.997 12.112 -8.672 406 HE2 HIS 50 HE2 HIS 50 9.817 10.557 -6.845 407 H ARG 51 H ARG 51 7.431 7.048 -5.878 408 HA ARG 51 HA ARG 51 5.326 6.919 -4.044 409 HB2 ARG 51 HB2 ARG 51 7.669 6.675 -3.363 410 HB3 ARG 51 HB3 ARG 51 7.978 8.367 -3.749 411 HG2 ARG 51 HG2 ARG 51 6.521 9.122 -1.995 412 HG3 ARG 51 HG3 ARG 51 5.896 7.495 -1.729 413 HD2 ARG 51 HD2 ARG 51 7.497 7.982 0.016 414 HD3 ARG 51 HD3 ARG 51 8.213 6.784 -1.058 415 HE ARG 51 HE ARG 51 9.048 9.610 -0.785 416 HH11 ARG 51 HH11 ARG 51 9.253 6.602 -2.492 417 HH12 ARG 51 HH12 ARG 51 10.747 7.005 -3.265 418 HH21 ARG 51 HH21 ARG 51 10.994 10.126 -1.790 419 HH22 ARG 51 HH22 ARG 51 11.730 8.990 -2.870 420 H GLU 52 H GLU 52 6.225 9.467 -6.122 421 HA GLU 52 HA GLU 52 5.234 11.703 -4.611 422 HB2 GLU 52 HB2 GLU 52 6.643 11.823 -6.724 423 HB3 GLU 52 HB3 GLU 52 5.192 11.389 -7.629 424 HG2 GLU 52 HG2 GLU 52 4.030 13.355 -6.607 425 HG3 GLU 52 HG3 GLU 52 5.559 13.819 -5.859 426 H ILE 53 H ILE 53 3.774 9.379 -6.828 427 HA ILE 53 HA ILE 53 1.141 10.600 -6.801 428 HB ILE 53 HB ILE 53 1.922 7.754 -7.496 429 HG12 ILE 53 HG12 ILE 53 1.532 10.120 -9.355 430 HG13 ILE 53 HG13 ILE 53 3.116 9.596 -8.784 431 HG21 ILE 53 HG21 ILE 53 -0.170 7.879 -8.873 432 HG22 ILE 53 HG22 ILE 53 -0.512 9.446 -8.139 433 HG23 ILE 53 HG23 ILE 53 -0.476 7.993 -7.141 434 HD11 ILE 53 HD11 ILE 53 2.802 7.398 -9.781 435 HD12 ILE 53 HD12 ILE 53 2.522 8.632 -11.011 436 HD13 ILE 53 HD13 ILE 53 1.155 7.814 -10.255 437 H LEU 54 H LEU 54 2.750 8.080 -4.918 438 HA LEU 54 HA LEU 54 0.338 7.259 -3.501 439 HB2 LEU 54 HB2 LEU 54 3.225 6.937 -2.621 440 HB3 LEU 54 HB3 LEU 54 1.839 5.996 -2.081 441 HG LEU 54 HG LEU 54 2.884 6.071 -4.925 442 HD11 LEU 54 HD11 LEU 54 3.024 3.807 -2.916 443 HD12 LEU 54 HD12 LEU 54 4.357 4.926 -3.201 444 HD13 LEU 54 HD13 LEU 54 3.791 3.881 -4.504 445 HD21 LEU 54 HD21 LEU 54 1.339 3.963 -5.010 446 HD22 LEU 54 HD22 LEU 54 0.581 5.550 -5.082 447 HD23 LEU 54 HD23 LEU 54 0.585 4.641 -3.570 448 H TYR 55 H TYR 55 2.709 9.781 -3.160 449 HA TYR 55 HA TYR 55 2.376 10.384 -0.396 450 HB2 TYR 55 HB2 TYR 55 3.956 11.373 -2.359 451 HB3 TYR 55 HB3 TYR 55 2.746 12.647 -2.346 452 HD1 TYR 55 HD1 TYR 55 5.358 10.920 -0.391 453 HD2 TYR 55 HD2 TYR 55 2.504 14.132 -0.420 454 HE1 TYR 55 HE1 TYR 55 6.456 11.913 1.600 455 HE2 TYR 55 HE2 TYR 55 3.603 15.123 1.573 456 HH TYR 55 HH TYR 55 5.729 13.472 3.511 457 H ASN 56 H ASN 56 0.499 11.287 -3.240 458 HA ASN 56 HA ASN 56 -1.191 13.233 -2.070 459 HB2 ASN 56 HB2 ASN 56 -2.103 11.234 -4.150 460 HB3 ASN 56 HB3 ASN 56 -2.636 12.903 -3.935 461 HD21 ASN 56 HD21 ASN 56 0.443 11.100 -4.515 462 HD22 ASN 56 HD22 ASN 56 1.081 12.251 -5.589 463 H ASP 57 H ASP 57 -1.206 9.754 -1.832 464 HA ASP 57 HA ASP 57 -3.892 9.471 -0.863 465 HB2 ASP 57 HB2 ASP 57 -1.455 7.728 -0.454 466 HB3 ASP 57 HB3 ASP 57 -3.098 7.263 -0.019 467 H ILE 58 H ILE 58 -0.788 9.484 0.898 468 HA ILE 58 HA ILE 58 -2.062 9.581 3.489 469 HB ILE 58 HB ILE 58 0.759 10.463 2.833 470 HG12 ILE 58 HG12 ILE 58 0.465 8.290 1.807 471 HG13 ILE 58 HG13 ILE 58 1.365 8.064 3.304 472 HG21 ILE 58 HG21 ILE 58 1.197 9.655 5.129 473 HG22 ILE 58 HG22 ILE 58 -0.509 9.245 5.304 474 HG23 ILE 58 HG23 ILE 58 -0.021 10.930 5.117 475 HD11 ILE 58 HD11 ILE 58 -0.244 6.363 3.429 476 HD12 ILE 58 HD12 ILE 58 -1.498 7.359 2.696 477 HD13 ILE 58 HD13 ILE 58 -1.006 7.643 4.363 478 H TYR 59 H TYR 59 -1.023 12.036 1.205 479 HA TYR 59 HA TYR 59 -0.802 14.284 2.851 480 HB2 TYR 59 HB2 TYR 59 -0.810 13.894 0.159 481 HB3 TYR 59 HB3 TYR 59 -2.375 14.673 0.327 482 HD1 TYR 59 HD1 TYR 59 -1.734 16.484 2.682 483 HD2 TYR 59 HD2 TYR 59 0.465 15.603 -0.904 484 HE1 TYR 59 HE1 TYR 59 -0.610 18.686 2.831 485 HE2 TYR 59 HE2 TYR 59 1.588 17.809 -0.752 486 HH TYR 59 HH TYR 59 0.639 20.194 1.668 487 H SER 60 H SER 60 -3.832 13.478 1.138 488 HA SER 60 HA SER 60 -6.062 13.884 1.747 489 HB2 SER 60 HB2 SER 60 -5.315 12.199 3.513 490 HB3 SER 60 HB3 SER 60 -5.071 13.569 4.592 491 HG SER 60 HG SER 60 -7.409 13.967 3.572 492 H TRP 61 H TRP 61 -3.814 16.080 2.020 493 HA TRP 61 HA TRP 61 -3.745 18.349 2.621 494 HB2 TRP 61 HB2 TRP 61 -6.767 18.140 2.633 495 HB3 TRP 61 HB3 TRP 61 -5.784 19.561 2.275 496 HD1 TRP 61 HD1 TRP 61 -3.773 18.612 0.220 497 HE1 TRP 61 HE1 TRP 61 -4.479 17.745 -2.103 498 HE3 TRP 61 HE3 TRP 61 -8.616 17.317 1.196 499 HZ2 TRP 61 HZ2 TRP 61 -6.792 16.646 -3.379 500 HZ3 TRP 61 HZ3 TRP 61 -10.045 16.363 -0.588 501 HH2 TRP 61 HH2 TRP 61 -9.141 16.025 -2.872 502 H ASP 62 H ASP 62 -3.327 16.769 4.811 503 HA ASP 62 HA ASP 62 -4.440 18.429 6.969 504 HB2 ASP 62 HB2 ASP 62 -6.165 16.651 6.647 505 HB3 ASP 62 HB3 ASP 62 -4.926 15.434 6.961 506 H ASN 63 H ASN 63 -2.393 15.744 5.940 507 HA ASN 63 HA ASN 63 -0.942 15.375 8.354 508 HB2 ASN 63 HB2 ASN 63 -0.102 15.058 5.462 509 HB3 ASN 63 HB3 ASN 63 0.909 14.568 6.823 510 HD21 ASN 63 HD21 ASN 63 0.610 12.437 7.479 511 HD22 ASN 63 HD22 ASN 63 -0.793 11.520 7.210 512 H GLU 64 H GLU 64 -0.589 17.762 5.777 513 HA GLU 64 HA GLU 64 0.770 19.674 5.636 514 HB2 GLU 64 HB2 GLU 64 -0.614 20.147 7.700 515 HB3 GLU 64 HB3 GLU 64 0.727 19.523 8.661 516 HG2 GLU 64 HG2 GLU 64 2.224 21.223 7.760 517 HG3 GLU 64 HG3 GLU 64 0.960 21.803 6.676 518 HA PRO 65 HA PRO 65 4.505 16.863 6.206 519 HB2 PRO 65 HB2 PRO 65 5.163 18.646 3.863 520 HB3 PRO 65 HB3 PRO 65 5.536 16.924 4.100 521 HG2 PRO 65 HG2 PRO 65 3.530 17.630 2.531 522 HG3 PRO 65 HG3 PRO 65 3.348 16.258 3.643 523 HD2 PRO 65 HD2 PRO 65 2.211 19.030 3.876 524 HD3 PRO 65 HD3 PRO 65 1.509 17.479 4.394 525 H ALA 66 H ALA 66 5.450 17.710 8.067 526 HA ALA 66 HA ALA 66 6.262 20.525 8.220 527 HB1 ALA 66 HB1 ALA 66 5.485 19.417 10.246 528 HB2 ALA 66 HB2 ALA 66 7.188 19.837 10.441 529 HB3 ALA 66 HB3 ALA 66 6.724 18.173 10.080 530 H THR 67 H THR 67 8.007 17.390 8.258 531 HA THR 67 HA THR 67 10.121 18.397 6.571 532 HB THR 67 HB THR 67 10.718 19.616 8.638 533 HG1 THR 67 HG1 THR 67 12.589 19.181 7.800 534 HG21 THR 67 HG21 THR 67 9.634 17.903 10.158 535 HG22 THR 67 HG22 THR 67 11.221 18.463 10.684 536 HG23 THR 67 HG23 THR 67 11.055 16.889 9.906 537 H ASN 68 H ASN 68 12.182 16.692 7.765 538 HA ASN 68 HA ASN 68 11.581 14.224 6.507 539 HB2 ASN 68 HB2 ASN 68 13.519 14.673 8.798 540 HB3 ASN 68 HB3 ASN 68 13.565 13.353 7.629 541 HD21 ASN 68 HD21 ASN 68 13.460 14.341 5.191 542 HD22 ASN 68 HD22 ASN 68 14.562 15.604 4.917 543 H THR 69 H THR 69 9.644 13.287 7.172 544 HA THR 69 HA THR 69 9.684 11.791 9.649 545 HB THR 69 HB THR 69 7.698 14.073 9.402 546 HG1 THR 69 HG1 THR 69 9.670 13.577 11.371 547 HG21 THR 69 HG21 THR 69 7.041 13.267 11.716 548 HG22 THR 69 HG22 THR 69 7.987 11.814 11.394 549 HG23 THR 69 HG23 THR 69 6.585 12.195 10.393 550 H LEU 70 H LEU 70 7.819 13.051 6.918 551 HA LEU 70 HA LEU 70 5.741 11.090 7.006 552 HB2 LEU 70 HB2 LEU 70 6.886 12.828 4.816 553 HB3 LEU 70 HB3 LEU 70 5.574 11.702 4.493 554 HG LEU 70 HG LEU 70 4.914 14.116 5.049 555 HD11 LEU 70 HD11 LEU 70 3.412 12.024 5.242 556 HD12 LEU 70 HD12 LEU 70 2.908 13.469 6.110 557 HD13 LEU 70 HD13 LEU 70 3.679 12.150 6.980 558 HD21 LEU 70 HD21 LEU 70 6.552 14.343 6.948 559 HD22 LEU 70 HD22 LEU 70 5.517 13.271 7.893 560 HD23 LEU 70 HD23 LEU 70 4.906 14.826 7.345 561 H GLU 71 H GLU 71 8.807 11.181 5.106 562 HA GLU 71 HA GLU 71 8.421 8.607 3.924 563 HB2 GLU 71 HB2 GLU 71 10.113 10.305 3.170 564 HB3 GLU 71 HB3 GLU 71 11.050 9.950 4.622 565 HG2 GLU 71 HG2 GLU 71 11.331 7.636 3.942 566 HG3 GLU 71 HG3 GLU 71 10.256 7.872 2.564 567 H VAL 72 H VAL 72 9.772 9.664 7.000 568 HA VAL 72 HA VAL 72 10.820 7.079 7.747 569 HB VAL 72 HB VAL 72 9.886 9.371 9.483 570 HG11 VAL 72 HG11 VAL 72 11.520 8.332 11.120 571 HG12 VAL 72 HG12 VAL 72 11.600 6.938 10.042 572 HG13 VAL 72 HG13 VAL 72 10.073 7.371 10.812 573 HG21 VAL 72 HG21 VAL 72 12.299 9.971 9.545 574 HG22 VAL 72 HG22 VAL 72 11.642 10.062 7.912 575 HG23 VAL 72 HG23 VAL 72 12.630 8.681 8.389 576 H HIS 73 H HIS 73 7.723 8.712 8.071 577 HA HIS 73 HA HIS 73 6.467 6.859 9.845 578 HB2 HIS 73 HB2 HIS 73 5.506 9.083 9.067 579 HB3 HIS 73 HB3 HIS 73 5.128 8.302 7.531 580 HD1 HIS 73 HD1 HIS 73 4.584 5.550 9.433 581 HD2 HIS 73 HD2 HIS 73 2.559 9.197 9.364 582 HE1 HIS 73 HE1 HIS 73 2.280 5.111 10.394 583 HE2 HIS 73 HE2 HIS 73 1.040 7.324 10.357 584 H ILE 74 H ILE 74 6.974 6.906 6.355 585 HA ILE 74 HA ILE 74 5.456 4.551 5.771 586 HB ILE 74 HB ILE 74 7.856 5.693 4.315 587 HG12 ILE 74 HG12 ILE 74 4.885 5.911 3.725 588 HG13 ILE 74 HG13 ILE 74 5.825 7.168 4.525 589 HG21 ILE 74 HG21 ILE 74 6.879 4.349 2.384 590 HG22 ILE 74 HG22 ILE 74 5.845 3.551 3.566 591 HG23 ILE 74 HG23 ILE 74 7.595 3.380 3.668 592 HD11 ILE 74 HD11 ILE 74 7.374 7.080 2.466 593 HD12 ILE 74 HD12 ILE 74 5.784 7.805 2.240 594 HD13 ILE 74 HD13 ILE 74 6.086 6.157 1.693 595 H HIS 75 H HIS 75 8.788 5.098 6.812 596 HA HIS 75 HA HIS 75 9.664 2.390 6.478 597 HB2 HIS 75 HB2 HIS 75 11.165 4.354 6.965 598 HB3 HIS 75 HB3 HIS 75 10.557 4.342 8.620 599 HD1 HIS 75 HD1 HIS 75 12.387 3.348 10.006 600 HD2 HIS 75 HD2 HIS 75 11.803 1.220 6.465 601 HE1 HIS 75 HE1 HIS 75 13.915 1.330 10.121 602 HE2 HIS 75 HE2 HIS 75 13.569 0.028 7.971 603 H ASN 76 H ASN 76 7.873 4.023 9.016 604 HA ASN 76 HA ASN 76 7.968 1.753 10.850 605 HB2 ASN 76 HB2 ASN 76 7.668 4.050 11.694 606 HB3 ASN 76 HB3 ASN 76 6.151 4.182 10.802 607 HD21 ASN 76 HD21 ASN 76 7.256 3.633 13.865 608 HD22 ASN 76 HD22 ASN 76 6.009 2.644 14.453 609 H LEU 77 H LEU 77 5.616 3.089 8.549 610 HA LEU 77 HA LEU 77 3.587 1.115 9.169 611 HB2 LEU 77 HB2 LEU 77 2.275 2.372 7.764 612 HB3 LEU 77 HB3 LEU 77 3.594 3.517 7.886 613 HG LEU 77 HG LEU 77 4.578 2.371 5.800 614 HD11 LEU 77 HD11 LEU 77 2.351 0.613 6.194 615 HD12 LEU 77 HD12 LEU 77 3.536 0.589 4.896 616 HD13 LEU 77 HD13 LEU 77 2.045 1.498 4.701 617 HD21 LEU 77 HD21 LEU 77 1.937 3.634 5.095 618 HD22 LEU 77 HD22 LEU 77 3.527 3.903 4.397 619 HD23 LEU 77 HD23 LEU 77 3.123 4.600 5.959 620 H ARG 78 H ARG 78 6.107 1.377 6.743 621 HA ARG 78 HA ARG 78 5.434 -0.808 5.091 622 HB2 ARG 78 HB2 ARG 78 7.244 0.831 4.625 623 HB3 ARG 78 HB3 ARG 78 8.219 0.079 5.888 624 HG2 ARG 78 HG2 ARG 78 8.273 -2.020 4.692 625 HG3 ARG 78 HG3 ARG 78 7.119 -1.424 3.499 626 HD2 ARG 78 HD2 ARG 78 9.304 -1.256 2.502 627 HD3 ARG 78 HD3 ARG 78 8.807 0.382 2.919 628 HE ARG 78 HE ARG 78 10.221 -0.527 5.147 629 HH11 ARG 78 HH11 ARG 78 10.749 -0.162 1.759 630 HH12 ARG 78 HH12 ARG 78 12.447 0.136 1.921 631 HH21 ARG 78 HH21 ARG 78 12.436 -0.139 5.377 632 HH22 ARG 78 HH22 ARG 78 13.402 0.148 3.969 633 H GLU 79 H GLU 79 7.489 -0.815 8.025 634 HA GLU 79 HA GLU 79 8.083 -3.601 7.949 635 HB2 GLU 79 HB2 GLU 79 7.905 -1.687 10.289 636 HB3 GLU 79 HB3 GLU 79 8.562 -3.320 10.398 637 HG2 GLU 79 HG2 GLU 79 10.295 -2.791 8.782 638 HG3 GLU 79 HG3 GLU 79 9.586 -1.202 8.486 639 H LYS 80 H LYS 80 5.112 -2.029 8.687 640 HA LYS 80 HA LYS 80 4.118 -4.214 10.387 641 HB2 LYS 80 HB2 LYS 80 2.818 -1.707 9.300 642 HB3 LYS 80 HB3 LYS 80 1.971 -2.893 10.293 643 HG2 LYS 80 HG2 LYS 80 3.562 -2.561 12.117 644 HG3 LYS 80 HG3 LYS 80 4.512 -1.463 11.121 645 HD2 LYS 80 HD2 LYS 80 3.154 -0.083 12.542 646 HD3 LYS 80 HD3 LYS 80 2.453 0.004 10.929 647 HE2 LYS 80 HE2 LYS 80 0.636 -1.398 11.516 648 HE3 LYS 80 HE3 LYS 80 1.453 -2.013 12.953 649 HZ1 LYS 80 HZ1 LYS 80 0.431 0.741 12.538 650 HZ2 LYS 80 HZ2 LYS 80 1.337 0.247 13.884 651 HZ3 LYS 80 HZ3 LYS 80 -0.196 -0.429 13.599 652 H ILE 81 H ILE 81 3.593 -3.011 7.078 653 HA ILE 81 HA ILE 81 1.575 -5.052 6.520 654 HB ILE 81 HB ILE 81 1.892 -4.172 4.121 655 HG12 ILE 81 HG12 ILE 81 3.473 -2.038 5.578 656 HG13 ILE 81 HG13 ILE 81 4.218 -3.302 4.603 657 HG21 ILE 81 HG21 ILE 81 1.187 -2.173 6.292 658 HG22 ILE 81 HG22 ILE 81 0.095 -3.404 5.659 659 HG23 ILE 81 HG23 ILE 81 0.664 -2.106 4.610 660 HD11 ILE 81 HD11 ILE 81 2.277 -1.173 3.668 661 HD12 ILE 81 HD12 ILE 81 2.781 -2.538 2.672 662 HD13 ILE 81 HD13 ILE 81 3.969 -1.349 3.204 663 H GLY 82 H GLY 82 5.004 -4.917 6.462 664 HA2 GLY 82 HA2 GLY 82 6.498 -6.684 5.960 665 HA3 GLY 82 HA3 GLY 82 5.126 -7.652 5.414 666 H LYS 83 H LYS 83 7.389 -5.144 4.492 667 HA LYS 83 HA LYS 83 6.610 -4.413 1.945 668 HB2 LYS 83 HB2 LYS 83 9.082 -4.322 1.390 669 HB3 LYS 83 HB3 LYS 83 8.618 -3.492 2.873 670 HG2 LYS 83 HG2 LYS 83 9.376 -5.330 4.240 671 HG3 LYS 83 HG3 LYS 83 9.618 -6.350 2.828 672 HD2 LYS 83 HD2 LYS 83 11.800 -5.610 3.361 673 HD3 LYS 83 HD3 LYS 83 11.315 -4.551 2.042 674 HE2 LYS 83 HE2 LYS 83 12.377 -3.304 3.915 675 HE3 LYS 83 HE3 LYS 83 10.717 -2.789 3.641 676 HZ1 LYS 83 HZ1 LYS 83 11.140 -4.974 5.527 677 HZ2 LYS 83 HZ2 LYS 83 10.014 -3.705 5.572 678 HZ3 LYS 83 HZ3 LYS 83 11.627 -3.425 6.026 679 H SER 84 H SER 84 7.393 -7.600 2.956 680 HA SER 84 HA SER 84 8.459 -8.813 0.674 681 HB2 SER 84 HB2 SER 84 7.207 -10.861 1.392 682 HB3 SER 84 HB3 SER 84 8.076 -10.083 2.711 683 HG SER 84 HG SER 84 6.221 -9.426 3.562 684 H ARG 85 H ARG 85 5.026 -8.072 1.353 685 HA ARG 85 HA ARG 85 4.145 -9.112 -1.225 686 HB2 ARG 85 HB2 ARG 85 2.649 -7.160 0.539 687 HB3 ARG 85 HB3 ARG 85 1.975 -8.316 -0.608 688 HG2 ARG 85 HG2 ARG 85 3.422 -8.968 1.976 689 HG3 ARG 85 HG3 ARG 85 1.705 -9.190 1.643 690 HD2 ARG 85 HD2 ARG 85 4.049 -10.717 0.510 691 HD3 ARG 85 HD3 ARG 85 2.605 -11.347 1.303 692 HE ARG 85 HE ARG 85 1.631 -10.080 -0.968 693 HH11 ARG 85 HH11 ARG 85 3.996 -12.481 -0.240 694 HH12 ARG 85 HH12 ARG 85 3.791 -13.327 -1.739 695 HH21 ARG 85 HH21 ARG 85 1.350 -11.170 -2.928 696 HH22 ARG 85 HH22 ARG 85 2.294 -12.584 -3.259 697 H ILE 86 H ILE 86 6.109 -6.620 -0.720 698 HA ILE 86 HA ILE 86 5.041 -5.071 -3.048 699 HB ILE 86 HB ILE 86 6.044 -3.917 -0.419 700 HG12 ILE 86 HG12 ILE 86 3.443 -3.434 -1.902 701 HG13 ILE 86 HG13 ILE 86 3.613 -4.631 -0.622 702 HG21 ILE 86 HG21 ILE 86 7.025 -2.567 -2.137 703 HG22 ILE 86 HG22 ILE 86 5.586 -1.695 -1.623 704 HG23 ILE 86 HG23 ILE 86 5.563 -2.627 -3.119 705 HD11 ILE 86 HD11 ILE 86 4.360 -2.849 0.929 706 HD12 ILE 86 HD12 ILE 86 2.741 -2.538 0.303 707 HD13 ILE 86 HD13 ILE 86 4.123 -1.657 -0.349 708 H ARG 87 H ARG 87 6.603 -4.850 -4.565 709 HA ARG 87 HA ARG 87 9.419 -5.517 -3.843 710 HB2 ARG 87 HB2 ARG 87 8.329 -6.705 -5.751 711 HB3 ARG 87 HB3 ARG 87 8.125 -5.158 -6.566 712 HG2 ARG 87 HG2 ARG 87 10.118 -6.271 -7.429 713 HG3 ARG 87 HG3 ARG 87 10.599 -4.838 -6.530 714 HD2 ARG 87 HD2 ARG 87 11.495 -6.091 -4.763 715 HD3 ARG 87 HD3 ARG 87 10.465 -7.486 -5.092 716 HE ARG 87 HE ARG 87 13.062 -6.985 -6.270 717 HH11 ARG 87 HH11 ARG 87 9.908 -8.287 -6.776 718 HH12 ARG 87 HH12 ARG 87 10.429 -9.433 -7.966 719 HH21 ARG 87 HH21 ARG 87 13.758 -8.475 -7.820 720 HH22 ARG 87 HH22 ARG 87 12.607 -9.539 -8.556 721 H THR 88 H THR 88 10.229 -3.582 -2.984 722 HA THR 88 HA THR 88 9.648 -0.985 -4.080 723 HB THR 88 HB THR 88 11.182 -0.149 -2.507 724 HG1 THR 88 HG1 THR 88 13.105 -0.946 -2.419 725 HG21 THR 88 HG21 THR 88 10.809 -1.361 -0.484 726 HG22 THR 88 HG22 THR 88 10.658 -2.892 -1.347 727 HG23 THR 88 HG23 THR 88 9.396 -1.669 -1.494 728 H VAL 89 H VAL 89 10.545 0.033 -5.805 729 HA VAL 89 HA VAL 89 12.717 -1.369 -7.307 730 HB VAL 89 HB VAL 89 10.893 0.892 -8.169 731 HG11 VAL 89 HG11 VAL 89 12.864 -0.880 -9.638 732 HG12 VAL 89 HG12 VAL 89 12.918 0.876 -9.479 733 HG13 VAL 89 HG13 VAL 89 11.658 0.116 -10.453 734 HG21 VAL 89 HG21 VAL 89 9.697 -1.242 -7.665 735 HG22 VAL 89 HG22 VAL 89 10.765 -2.076 -8.794 736 HG23 VAL 89 HG23 VAL 89 9.656 -0.837 -9.381 737 H ARG 90 H ARG 90 14.710 -0.659 -6.753 738 HA ARG 90 HA ARG 90 16.454 0.800 -6.157 739 HB2 ARG 90 HB2 ARG 90 14.891 2.509 -8.114 740 HB3 ARG 90 HB3 ARG 90 16.535 2.857 -7.573 741 HG2 ARG 90 HG2 ARG 90 17.369 0.815 -8.542 742 HG3 ARG 90 HG3 ARG 90 15.734 0.246 -8.882 743 HD2 ARG 90 HD2 ARG 90 16.813 1.153 -10.917 744 HD3 ARG 90 HD3 ARG 90 15.400 2.103 -10.459 745 HE ARG 90 HE ARG 90 16.841 3.928 -10.080 746 HH11 ARG 90 HH11 ARG 90 18.535 0.925 -10.063 747 HH12 ARG 90 HH12 ARG 90 20.100 1.657 -9.939 748 HH21 ARG 90 HH21 ARG 90 18.874 4.900 -9.919 749 HH22 ARG 90 HH22 ARG 90 20.291 3.907 -9.857 750 H GLY 91 H GLY 91 13.763 1.024 -4.656 751 HA2 GLY 91 HA2 GLY 91 12.986 2.324 -2.861 752 HA3 GLY 91 HA3 GLY 91 14.561 3.118 -2.869 753 H PHE 92 H PHE 92 13.486 3.444 -5.940 754 HA PHE 92 HA PHE 92 12.798 6.238 -5.571 755 HB2 PHE 92 HB2 PHE 92 13.986 5.788 -7.575 756 HB3 PHE 92 HB3 PHE 92 12.988 4.389 -7.955 757 HD1 PHE 92 HD1 PHE 92 12.962 8.113 -7.705 758 HD2 PHE 92 HD2 PHE 92 10.984 4.621 -9.238 759 HE1 PHE 92 HE1 PHE 92 11.457 9.554 -9.054 760 HE2 PHE 92 HE2 PHE 92 9.480 6.060 -10.582 761 HZ PHE 92 HZ PHE 92 9.712 8.525 -10.490 762 H GLY 93 H GLY 93 10.982 3.868 -7.502 763 HA2 GLY 93 HA2 GLY 93 8.437 5.021 -6.451 764 HA3 GLY 93 HA3 GLY 93 8.611 4.057 -7.917 765 H TYR 94 H TYR 94 7.018 2.546 -7.255 766 HA TYR 94 HA TYR 94 8.049 0.467 -5.426 767 HB2 TYR 94 HB2 TYR 94 5.608 2.159 -4.881 768 HB3 TYR 94 HB3 TYR 94 5.639 0.483 -4.331 769 HD1 TYR 94 HD1 TYR 94 7.150 3.826 -3.955 770 HD2 TYR 94 HD2 TYR 94 7.207 -0.252 -2.616 771 HE1 TYR 94 HE1 TYR 94 8.525 4.483 -2.004 772 HE2 TYR 94 HE2 TYR 94 8.580 0.402 -0.664 773 HH TYR 94 HH TYR 94 9.346 2.157 0.538 774 H MET 95 H MET 95 6.779 -1.537 -5.643 775 HA MET 95 HA MET 95 4.740 -1.678 -7.742 776 HB2 MET 95 HB2 MET 95 6.937 -1.525 -8.997 777 HB3 MET 95 HB3 MET 95 7.375 -3.068 -8.273 778 HG2 MET 95 HG2 MET 95 5.321 -4.082 -9.241 779 HG3 MET 95 HG3 MET 95 4.952 -2.542 -10.017 780 HE1 MET 95 HE1 MET 95 6.609 -5.968 -10.646 781 HE2 MET 95 HE2 MET 95 7.530 -5.172 -9.362 782 HE3 MET 95 HE3 MET 95 8.290 -5.515 -10.915 783 H LEU 96 H LEU 96 3.478 -3.439 -7.421 784 HA LEU 96 HA LEU 96 4.258 -5.350 -5.274 785 HB2 LEU 96 HB2 LEU 96 1.669 -4.586 -6.634 786 HB3 LEU 96 HB3 LEU 96 1.773 -6.105 -5.745 787 HG LEU 96 HG LEU 96 2.404 -4.931 -3.710 788 HD11 LEU 96 HD11 LEU 96 3.747 -3.128 -4.561 789 HD12 LEU 96 HD12 LEU 96 2.374 -2.391 -3.740 790 HD13 LEU 96 HD13 LEU 96 2.400 -2.488 -5.501 791 HD21 LEU 96 HD21 LEU 96 -0.021 -5.104 -4.330 792 HD22 LEU 96 HD22 LEU 96 0.084 -3.490 -5.034 793 HD23 LEU 96 HD23 LEU 96 0.333 -3.714 -3.303 794 H ALA 97 H ALA 97 4.880 -7.409 -5.740 795 HA ALA 97 HA ALA 97 5.222 -8.221 -8.513 796 HB1 ALA 97 HB1 ALA 97 6.032 -10.366 -7.473 797 HB2 ALA 97 HB2 ALA 97 5.622 -9.696 -5.894 798 HB3 ALA 97 HB3 ALA 97 6.867 -8.930 -6.881 799 H ASN 98 H ASN 98 3.697 -9.212 -9.733 800 HA ASN 98 HA ASN 98 1.176 -10.093 -8.531 801 HB2 ASN 98 HB2 ASN 98 2.138 -10.396 -11.392 802 HB3 ASN 98 HB3 ASN 98 0.473 -10.514 -10.820 803 HD21 ASN 98 HD21 ASN 98 1.322 -8.570 -12.797 804 HD22 ASN 98 HD22 ASN 98 1.134 -7.027 -12.115 805 H ASN 99 H ASN 99 1.257 -12.016 -7.436 806 HA ASN 99 HA ASN 99 1.715 -14.277 -6.979 807 HB2 ASN 99 HB2 ASN 99 1.571 -14.413 -10.008 808 HB3 ASN 99 HB3 ASN 99 1.434 -15.787 -8.909 809 HD21 ASN 99 HD21 ASN 99 -0.721 -15.177 -10.645 810 HD22 ASN 99 HD22 ASN 99 -2.025 -14.593 -9.727 811 H ILE 100 H ILE 100 3.830 -14.134 -6.163 812 HA ILE 100 HA ILE 100 6.159 -13.917 -7.858 813 HB ILE 100 HB ILE 100 6.159 -15.173 -5.102 814 HG12 ILE 100 HG12 ILE 100 5.888 -12.227 -5.792 815 HG13 ILE 100 HG13 ILE 100 4.719 -13.207 -4.913 816 HG21 ILE 100 HG21 ILE 100 8.091 -13.194 -6.347 817 HG22 ILE 100 HG22 ILE 100 8.272 -14.935 -6.534 818 HG23 ILE 100 HG23 ILE 100 8.352 -14.211 -4.932 819 HD11 ILE 100 HD11 ILE 100 7.475 -12.362 -4.005 820 HD12 ILE 100 HD12 ILE 100 6.565 -13.641 -3.201 821 HD13 ILE 100 HD13 ILE 100 5.925 -11.998 -3.248 822 H ASP 101 H ASP 101 3.931 -16.256 -7.674 823 HA ASP 101 HA ASP 101 3.860 -18.431 -8.528 824 HB2 ASP 101 HB2 ASP 101 5.843 -17.438 -9.980 825 HB3 ASP 101 HB3 ASP 101 6.854 -18.455 -8.956 826 H THR 102 H THR 102 3.985 -18.031 -5.800 827 HA THR 102 HA THR 102 5.066 -20.591 -4.910 828 HB THR 102 HB THR 102 6.236 -18.078 -3.682 829 HG1 THR 102 HG1 THR 102 8.130 -18.718 -4.766 830 HG21 THR 102 HG21 THR 102 7.787 -19.745 -2.648 831 HG22 THR 102 HG22 THR 102 6.812 -21.035 -3.352 832 HG23 THR 102 HG23 THR 102 6.111 -19.957 -2.144 833 H GLU 103 H GLU 103 4.098 -21.229 -2.953 834 HA GLU 103 HA GLU 103 2.723 -19.347 -1.223 835 HB2 GLU 103 HB2 GLU 103 1.170 -19.470 -3.200 836 HB3 GLU 103 HB3 GLU 103 0.991 -21.197 -2.888 837 HG2 GLU 103 HG2 GLU 103 0.133 -20.717 -0.634 838 HG3 GLU 103 HG3 GLU 103 0.338 -18.988 -0.916
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