NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
549000 | 2lv7 | 18557 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 31.624 -15.095 3.641 2 H2 MET 1 HT2 MET 1 32.004 -15.233 2.000 3 H3 MET 1 HT3 MET 1 30.697 -16.095 2.639 4 HA MET 1 HA MET 1 30.903 -13.149 2.434 5 HB2 MET 1 HB2 MET 1 29.170 -15.119 0.927 6 HB3 MET 1 HB1 MET 1 29.092 -13.370 0.776 7 HG2 MET 1 HG2 MET 1 31.340 -13.317 -0.120 8 HG3 MET 1 HG1 MET 1 31.487 -15.061 0.097 9 HE1 MET 1 HE1 MET 1 32.063 -13.513 -2.639 10 HE2 MET 1 HE2 MET 1 31.289 -14.578 -3.812 11 HE3 MET 1 HE3 MET 1 32.231 -15.263 -2.488 12 HA PRO 2 HA PRO 2 27.798 -13.193 5.608 13 HB2 PRO 2 HB2 PRO 2 26.889 -10.674 5.407 14 HB3 PRO 2 HB1 PRO 2 28.514 -11.030 6.007 15 HG2 PRO 2 HG2 PRO 2 27.654 -10.126 3.285 16 HG3 PRO 2 HG1 PRO 2 29.032 -9.585 4.261 17 HD2 PRO 2 HD2 PRO 2 29.238 -11.396 2.222 18 HD3 PRO 2 HD1 PRO 2 30.342 -11.349 3.611 19 H PHE 3 HN PHE 3 25.625 -13.523 5.852 20 HA PHE 3 HA PHE 3 24.093 -14.126 3.544 21 HB2 PHE 3 HB2 PHE 3 23.295 -13.894 6.451 22 HB3 PHE 3 HB1 PHE 3 22.239 -14.504 5.181 23 HD1 PHE 3 HD2 PHE 3 25.384 -15.137 7.008 24 HD2 PHE 3 HD1 PHE 3 22.406 -16.722 4.415 25 HE1 PHE 3 HE2 PHE 3 26.316 -17.393 7.324 26 HE2 PHE 3 HE1 PHE 3 23.332 -18.980 4.725 27 HZ PHE 3 HZ PHE 3 25.290 -19.318 6.180 28 H HIS 4 HN HIS 4 24.801 -11.193 4.919 29 HA HIS 4 HA HIS 4 22.336 -9.838 4.819 30 HB2 HIS 4 HB2 HIS 4 24.486 -9.043 5.908 31 HB3 HIS 4 HB1 HIS 4 25.041 -8.602 4.297 32 HD1 HIS 4 HD1 HIS 4 24.040 -6.501 3.235 33 HD2 HIS 4 HD2 HIS 4 22.429 -7.414 6.955 34 HE1 HIS 4 HE1 HIS 4 22.719 -4.471 3.912 35 HE2 HIS 4 HE2 HIS 4 21.844 -5.006 6.213 36 HA PRO 5 HA PRO 5 21.873 -9.732 0.373 37 HB2 PRO 5 HB2 PRO 5 19.676 -8.172 0.249 38 HB3 PRO 5 HB1 PRO 5 19.608 -9.856 0.784 39 HG2 PRO 5 HG2 PRO 5 19.655 -7.349 2.422 40 HG3 PRO 5 HG1 PRO 5 18.653 -8.799 2.625 41 HD2 PRO 5 HD2 PRO 5 20.891 -8.327 4.096 42 HD3 PRO 5 HD1 PRO 5 20.329 -9.960 3.688 43 H VAL 6 HN VAL 6 23.006 -8.543 -1.004 44 HA VAL 6 HA VAL 6 24.005 -6.797 -2.059 45 HB VAL 6 HB VAL 6 21.995 -5.044 -0.643 46 HG11 VAL 6 HG11 VAL 6 23.837 -3.817 -1.659 47 HG12 VAL 6 HG12 VAL 6 22.337 -3.540 -2.544 48 HG13 VAL 6 HG13 VAL 6 23.553 -4.639 -3.193 49 HG21 VAL 6 HG21 VAL 6 20.833 -6.821 -1.810 50 HG22 VAL 6 HG22 VAL 6 21.764 -6.502 -3.273 51 HG23 VAL 6 HG23 VAL 6 20.623 -5.298 -2.674 52 H THR 7 HN THR 7 26.004 -6.344 -1.435 53 HA THR 7 HA THR 7 26.378 -4.859 1.081 54 HB THR 7 HB THR 7 28.589 -5.972 1.309 55 HG1 THR 7 HG1 THR 7 29.277 -7.072 -0.353 56 HG21 THR 7 HG21 THR 7 26.666 -6.811 2.557 57 HG22 THR 7 HG22 THR 7 27.720 -8.139 2.072 58 HG23 THR 7 HG23 THR 7 26.218 -7.840 1.197 59 H ALA 8 HN ALA 8 28.406 -5.749 -1.722 60 HA ALA 8 HA ALA 8 28.591 -3.122 -2.747 61 HB1 ALA 8 HB1 ALA 8 30.894 -2.584 -2.120 62 HB2 ALA 8 HB2 ALA 8 30.953 -4.020 -1.097 63 HB3 ALA 8 HB3 ALA 8 29.852 -2.700 -0.702 64 H ALA 9 HN ALA 9 28.886 -3.502 -4.838 65 HA ALA 9 HA ALA 9 30.220 -5.929 -5.716 66 HB1 ALA 9 HB1 ALA 9 28.108 -5.258 -6.767 67 HB2 ALA 9 HB2 ALA 9 29.423 -5.335 -7.939 68 HB3 ALA 9 HB3 ALA 9 28.868 -3.773 -7.337 69 H LEU 10 HN LEU 10 30.785 -2.500 -5.570 70 HA LEU 10 HA LEU 10 33.124 -2.634 -7.285 71 HB2 LEU 10 HB2 LEU 10 31.870 -0.373 -5.729 72 HB3 LEU 10 HB1 LEU 10 33.323 -0.197 -6.689 73 HG LEU 10 HG LEU 10 31.504 0.647 -7.972 74 HD11 LEU 10 HD11 LEU 10 32.211 -2.103 -8.982 75 HD12 LEU 10 HD12 LEU 10 33.153 -0.632 -9.227 76 HD13 LEU 10 HD13 LEU 10 31.549 -0.782 -9.945 77 HD21 LEU 10 HD21 LEU 10 30.112 -1.999 -7.589 78 HD22 LEU 10 HD22 LEU 10 29.510 -0.607 -8.489 79 HD23 LEU 10 HD23 LEU 10 29.705 -0.508 -6.739 80 H MET 11 HN MET 11 34.642 -0.654 -5.826 81 HA MET 11 HA MET 11 36.273 -0.473 -4.257 82 HB2 MET 11 HB2 MET 11 34.598 -2.426 -2.669 83 HB3 MET 11 HB1 MET 11 35.922 -1.457 -2.040 84 HG2 MET 11 HG2 MET 11 34.688 0.573 -2.473 85 HG3 MET 11 HG1 MET 11 33.379 -0.351 -3.207 86 HE1 MET 11 HE1 MET 11 31.639 0.846 -1.672 87 HE2 MET 11 HE2 MET 11 32.887 1.782 -0.849 88 HE3 MET 11 HE3 MET 11 31.704 0.871 0.090 89 H TYR 12 HN TYR 12 38.100 -1.294 -5.052 90 HA TYR 12 HA TYR 12 38.415 -4.165 -5.384 91 HB2 TYR 12 HB2 TYR 12 40.427 -1.988 -5.975 92 HB3 TYR 12 HB1 TYR 12 40.447 -3.645 -6.567 93 HD1 TYR 12 HD2 TYR 12 38.691 -4.373 -8.213 94 HD2 TYR 12 HD1 TYR 12 39.221 -0.300 -7.104 95 HE1 TYR 12 HE2 TYR 12 37.442 -3.674 -10.212 96 HE2 TYR 12 HE1 TYR 12 37.972 0.412 -9.099 97 HH TYR 12 HH TYR 12 36.114 -1.693 -10.955 98 H ARG 13 HN ARG 13 40.132 -1.522 -3.725 99 HA ARG 13 HA ARG 13 40.617 -3.106 -1.407 100 HB2 ARG 13 HB2 ARG 13 42.317 -4.066 -2.933 101 HB3 ARG 13 HB1 ARG 13 43.011 -2.463 -3.139 102 HG2 ARG 13 HG2 ARG 13 43.401 -2.423 -0.659 103 HG3 ARG 13 HG1 ARG 13 42.933 -4.124 -0.635 104 HD2 ARG 13 HD2 ARG 13 45.236 -2.899 -2.148 105 HD3 ARG 13 HD1 ARG 13 45.339 -3.944 -0.732 106 HE ARG 13 HE ARG 13 43.943 -5.227 -2.843 107 HH11 ARG 13 HH11 ARG 13 47.138 -4.332 -1.778 108 HH12 ARG 13 HH12 ARG 13 47.925 -5.609 -2.645 109 HH21 ARG 13 HH21 ARG 13 44.970 -6.912 -3.986 110 HH22 ARG 13 HH22 ARG 13 46.692 -7.075 -3.899 111 H GLY 14 HN GLY 14 42.155 -0.439 -3.216 112 HA2 GLY 14 HA2 GLY 14 42.629 1.096 -0.851 113 HA3 GLY 14 HA1 GLY 14 42.838 1.644 -2.506 114 H ILE 15 HN ILE 15 40.462 1.138 0.052 115 HA ILE 15 HA ILE 15 39.133 3.577 -0.534 116 HB ILE 15 HB ILE 15 38.197 2.260 -2.379 117 HG12 ILE 15 HG12 ILE 15 35.778 2.567 -1.814 118 HG13 ILE 15 HG11 ILE 15 36.251 2.883 -0.147 119 HG21 ILE 15 HG21 ILE 15 36.757 0.340 -1.945 120 HG22 ILE 15 HG22 ILE 15 37.131 0.440 -0.225 121 HG23 ILE 15 HG23 ILE 15 38.401 0.044 -1.383 122 HD11 ILE 15 HD11 ILE 15 37.517 4.832 -0.872 123 HD12 ILE 15 HD12 ILE 15 35.827 4.943 -1.362 124 HD13 ILE 15 HD13 ILE 15 37.062 4.510 -2.545 125 H TYR 16 HN TYR 16 37.795 4.217 1.135 126 HA TYR 16 HA TYR 16 38.171 2.980 3.633 127 HB2 TYR 16 HB2 TYR 16 36.094 5.026 2.826 128 HB3 TYR 16 HB1 TYR 16 36.544 4.621 4.480 129 HD1 TYR 16 HD2 TYR 16 38.745 5.283 5.364 130 HD2 TYR 16 HD1 TYR 16 37.488 6.432 1.465 131 HE1 TYR 16 HE2 TYR 16 40.518 6.986 5.300 132 HE2 TYR 16 HE1 TYR 16 39.259 8.136 1.390 133 HH TYR 16 HH TYR 16 41.815 8.231 3.598 134 H THR 17 HN THR 17 34.911 3.672 2.452 135 HA THR 17 HA THR 17 34.047 0.977 2.301 136 HB THR 17 HB THR 17 34.312 1.016 4.730 137 HG1 THR 17 HG1 THR 17 31.779 0.905 5.077 138 HG21 THR 17 HG21 THR 17 32.352 3.316 4.682 139 HG22 THR 17 HG22 THR 17 34.066 3.434 5.079 140 HG23 THR 17 HG23 THR 17 32.981 2.519 6.125 141 H VAL 18 HN VAL 18 33.689 4.227 1.861 142 HA VAL 18 HA VAL 18 30.814 4.301 1.602 143 HB VAL 18 HB VAL 18 31.202 6.602 0.709 144 HG11 VAL 18 HG11 VAL 18 30.790 6.217 3.080 145 HG12 VAL 18 HG12 VAL 18 31.923 7.548 2.849 146 HG13 VAL 18 HG13 VAL 18 32.514 5.963 3.349 147 HG21 VAL 18 HG21 VAL 18 33.389 6.296 -0.283 148 HG22 VAL 18 HG22 VAL 18 34.087 5.945 1.298 149 HG23 VAL 18 HG23 VAL 18 33.467 7.558 0.947 150 HA PRO 19 HA PRO 19 31.090 3.032 -2.685 151 HB2 PRO 19 HB2 PRO 19 28.471 2.505 -3.028 152 HB3 PRO 19 HB1 PRO 19 29.537 1.446 -2.103 153 HG2 PRO 19 HG2 PRO 19 27.425 3.270 -1.162 154 HG3 PRO 19 HG1 PRO 19 28.110 1.841 -0.375 155 HD2 PRO 19 HD2 PRO 19 28.723 4.596 0.118 156 HD3 PRO 19 HD1 PRO 19 29.428 3.165 0.892 157 H ASN 20 HN ASN 20 28.136 4.914 -1.951 158 HA ASN 20 HA ASN 20 28.906 6.870 -3.984 159 HB2 ASN 20 HB2 ASN 20 26.206 5.503 -3.959 160 HB3 ASN 20 HB1 ASN 20 26.708 6.787 -5.054 161 HD21 ASN 20 HD21 ASN 20 28.199 6.330 -6.683 162 HD22 ASN 20 HD22 ASN 20 28.529 4.711 -7.188 163 H LEU 21 HN LEU 21 29.209 7.628 -1.557 164 HA LEU 21 HA LEU 21 26.761 8.710 -0.439 165 HB2 LEU 21 HB2 LEU 21 27.979 9.221 1.498 166 HB3 LEU 21 HB1 LEU 21 28.559 7.660 0.965 167 HG LEU 21 HG LEU 21 30.495 8.741 1.626 168 HD11 LEU 21 HD11 LEU 21 30.768 7.825 -0.613 169 HD12 LEU 21 HD12 LEU 21 31.782 9.248 -0.372 170 HD13 LEU 21 HD13 LEU 21 30.293 9.374 -1.309 171 HD21 LEU 21 HD21 LEU 21 29.650 11.249 0.201 172 HD22 LEU 21 HD22 LEU 21 31.025 11.038 1.286 173 HD23 LEU 21 HD23 LEU 21 29.379 10.944 1.915 174 H LEU 22 HN LEU 22 28.902 9.656 -2.760 175 HA LEU 22 HA LEU 22 28.750 12.502 -2.110 176 HB2 LEU 22 HB2 LEU 22 30.402 12.876 -3.751 177 HB3 LEU 22 HB1 LEU 22 30.897 11.436 -2.884 178 HG LEU 22 HG LEU 22 29.471 11.351 -5.542 179 HD11 LEU 22 HD11 LEU 22 31.582 12.525 -5.814 180 HD12 LEU 22 HD12 LEU 22 31.667 10.916 -6.533 181 HD13 LEU 22 HD13 LEU 22 32.429 11.227 -4.973 182 HD21 LEU 22 HD21 LEU 22 29.288 9.307 -4.259 183 HD22 LEU 22 HD22 LEU 22 31.030 9.292 -3.984 184 HD23 LEU 22 HD23 LEU 22 30.391 9.067 -5.613 185 H SER 23 HN SER 23 26.875 10.281 -3.666 186 HA SER 23 HA SER 23 25.925 12.213 -5.670 187 HB2 SER 23 HB2 SER 23 24.798 10.277 -6.733 188 HB3 SER 23 HB1 SER 23 26.543 10.052 -6.612 189 HG SER 23 HG SER 23 24.492 8.850 -5.091 190 H GLU 24 HN GLU 24 24.534 9.702 -3.542 191 HA GLU 24 HA GLU 24 22.358 11.579 -2.914 192 HB2 GLU 24 HB2 GLU 24 22.121 8.671 -3.670 193 HB3 GLU 24 HB1 GLU 24 20.844 9.534 -2.826 194 HG2 GLU 24 HG2 GLU 24 20.271 9.554 -5.108 195 HG3 GLU 24 HG1 GLU 24 20.843 11.177 -4.724 196 H GLN 25 HN GLN 25 24.458 8.997 -1.912 197 HA GLN 25 HA GLN 25 25.046 8.175 0.119 198 HB2 GLN 25 HB2 GLN 25 25.477 10.556 0.601 199 HB3 GLN 25 HB1 GLN 25 23.823 10.726 1.170 200 HG2 GLN 25 HG2 GLN 25 24.273 9.112 2.952 201 HG3 GLN 25 HG1 GLN 25 25.934 8.955 2.384 202 HE21 GLN 25 HE21 GLN 25 23.630 10.996 3.993 203 HE22 GLN 25 HE22 GLN 25 24.770 12.130 4.626 204 H ARG 26 HN ARG 26 22.408 9.841 1.626 205 HA ARG 26 HA ARG 26 21.336 7.440 2.699 206 HB2 ARG 26 HB2 ARG 26 21.296 9.578 3.894 207 HB3 ARG 26 HB1 ARG 26 20.237 10.252 2.666 208 HG2 ARG 26 HG2 ARG 26 18.504 8.640 3.281 209 HG3 ARG 26 HG1 ARG 26 19.569 7.988 4.532 210 HD2 ARG 26 HD2 ARG 26 19.654 10.204 5.584 211 HD3 ARG 26 HD1 ARG 26 18.547 10.816 4.358 212 HE ARG 26 HE ARG 26 17.056 8.896 5.324 213 HH11 ARG 26 HH11 ARG 26 19.137 11.076 7.072 214 HH12 ARG 26 HH12 ARG 26 18.195 11.017 8.524 215 HH21 ARG 26 HH21 ARG 26 15.805 8.817 7.234 216 HH22 ARG 26 HH22 ARG 26 16.302 9.737 8.615 217 HA PRO 27 HA PRO 27 18.568 6.593 -0.716 218 HB2 PRO 27 HB2 PRO 27 17.328 4.441 0.303 219 HB3 PRO 27 HB1 PRO 27 19.015 4.378 -0.221 220 HG2 PRO 27 HG2 PRO 27 17.900 4.652 2.543 221 HG3 PRO 27 HG1 PRO 27 19.247 3.649 1.975 222 HD2 PRO 27 HD2 PRO 27 19.568 6.069 3.217 223 HD3 PRO 27 HD1 PRO 27 20.738 5.385 2.073 224 H VAL 28 HN VAL 28 16.417 6.920 -1.257 225 HA VAL 28 HA VAL 28 14.718 8.006 0.892 226 HB VAL 28 HB VAL 28 14.329 8.563 -2.033 227 HG11 VAL 28 HG11 VAL 28 12.480 9.088 -0.555 228 HG12 VAL 28 HG12 VAL 28 13.203 10.567 -1.187 229 HG13 VAL 28 HG13 VAL 28 13.546 10.055 0.465 230 HG21 VAL 28 HG21 VAL 28 16.052 10.141 -0.121 231 HG22 VAL 28 HG22 VAL 28 15.604 10.641 -1.752 232 HG23 VAL 28 HG23 VAL 28 16.618 9.218 -1.514 233 H ASP 29 HN ASP 29 13.217 6.582 1.498 234 HA ASP 29 HA ASP 29 11.250 5.621 -0.267 235 HB2 ASP 29 HB2 ASP 29 11.731 3.206 -0.182 236 HB3 ASP 29 HB1 ASP 29 12.997 4.095 -1.025 237 H ILE 30 HN ILE 30 9.503 5.605 0.968 238 HA ILE 30 HA ILE 30 9.570 5.710 3.772 239 HB ILE 30 HB ILE 30 7.129 4.778 2.299 240 HG12 ILE 30 HG12 ILE 30 8.031 6.609 0.947 241 HG13 ILE 30 HG11 ILE 30 6.588 7.137 1.805 242 HG21 ILE 30 HG21 ILE 30 6.003 6.182 3.982 243 HG22 ILE 30 HG22 ILE 30 7.576 6.573 4.679 244 HG23 ILE 30 HG23 ILE 30 6.988 4.910 4.705 245 HD11 ILE 30 HD11 ILE 30 7.991 8.262 3.459 246 HD12 ILE 30 HD12 ILE 30 8.294 8.856 1.827 247 HD13 ILE 30 HD13 ILE 30 9.431 7.742 2.585 248 HA PRO 31 HA PRO 31 10.102 1.363 4.687 249 HB2 PRO 31 HB2 PRO 31 9.515 1.505 7.346 250 HB3 PRO 31 HB1 PRO 31 11.074 1.985 6.670 251 HG2 PRO 31 HG2 PRO 31 8.736 3.690 7.435 252 HG3 PRO 31 HG1 PRO 31 10.464 3.961 7.730 253 HD2 PRO 31 HD2 PRO 31 9.145 5.206 5.739 254 HD3 PRO 31 HD1 PRO 31 10.843 4.711 5.576 255 H GLU 32 HN GLU 32 8.822 -0.426 5.085 256 HA GLU 32 HA GLU 32 6.192 -0.443 4.339 257 HB2 GLU 32 HB2 GLU 32 7.693 -2.431 4.567 258 HB3 GLU 32 HB1 GLU 32 7.419 -2.383 6.302 259 HG2 GLU 32 HG2 GLU 32 5.047 -2.774 5.959 260 HG3 GLU 32 HG1 GLU 32 5.290 -2.776 4.213 261 H ASP 33 HN ASP 33 7.379 0.799 7.230 262 HA ASP 33 HA ASP 33 5.410 0.205 9.105 263 HB2 ASP 33 HB2 ASP 33 7.040 2.723 8.727 264 HB3 ASP 33 HB1 ASP 33 6.022 2.424 10.132 265 H GLU 34 HN GLU 34 5.290 2.221 6.303 266 HA GLU 34 HA GLU 34 2.838 3.549 7.139 267 HB2 GLU 34 HB2 GLU 34 3.067 4.918 5.233 268 HB3 GLU 34 HB1 GLU 34 4.709 4.679 5.811 269 HG2 GLU 34 HG2 GLU 34 5.042 4.323 3.598 270 HG3 GLU 34 HG1 GLU 34 4.647 2.678 4.089 271 H LEU 35 HN LEU 35 3.894 0.868 5.254 272 HA LEU 35 HA LEU 35 1.603 0.576 3.600 273 HB2 LEU 35 HB2 LEU 35 3.816 -0.487 3.170 274 HB3 LEU 35 HB1 LEU 35 3.517 -1.569 4.518 275 HG LEU 35 HG LEU 35 1.270 -1.949 3.009 276 HD11 LEU 35 HD11 LEU 35 2.093 -0.579 1.191 277 HD12 LEU 35 HD12 LEU 35 2.025 -2.271 0.700 278 HD13 LEU 35 HD13 LEU 35 3.574 -1.534 1.112 279 HD21 LEU 35 HD21 LEU 35 2.613 -3.689 4.036 280 HD22 LEU 35 HD22 LEU 35 3.887 -3.437 2.842 281 HD23 LEU 35 HD23 LEU 35 2.316 -4.060 2.338 282 H GLU 36 HN GLU 36 2.493 -0.700 6.772 283 HA GLU 36 HA GLU 36 0.384 -2.525 7.064 284 HB2 GLU 36 HB2 GLU 36 0.847 -2.433 9.457 285 HB3 GLU 36 HB1 GLU 36 2.343 -2.505 8.537 286 HG2 GLU 36 HG2 GLU 36 2.713 -0.151 8.866 287 HG3 GLU 36 HG1 GLU 36 1.151 0.016 9.666 288 H GLU 37 HN GLU 37 0.397 0.898 7.120 289 HA GLU 37 HA GLU 37 -1.946 1.227 8.745 290 HB2 GLU 37 HB2 GLU 37 -0.229 2.999 8.492 291 HB3 GLU 37 HB1 GLU 37 -0.673 3.162 6.799 292 HG2 GLU 37 HG2 GLU 37 -2.928 3.842 7.462 293 HG3 GLU 37 HG1 GLU 37 -2.467 3.695 9.157 294 H ILE 38 HN ILE 38 -1.275 0.683 5.383 295 HA ILE 38 HA ILE 38 -3.686 1.583 4.259 296 HB ILE 38 HB ILE 38 -1.926 -0.690 3.319 297 HG12 ILE 38 HG12 ILE 38 -1.933 2.217 2.475 298 HG13 ILE 38 HG11 ILE 38 -0.774 1.513 3.598 299 HG21 ILE 38 HG21 ILE 38 -3.988 0.941 1.836 300 HG22 ILE 38 HG22 ILE 38 -4.134 -0.756 2.295 301 HG23 ILE 38 HG23 ILE 38 -2.918 -0.263 1.116 302 HD11 ILE 38 HD11 ILE 38 0.005 0.008 1.833 303 HD12 ILE 38 HD12 ILE 38 0.175 1.705 1.381 304 HD13 ILE 38 HD13 ILE 38 -1.142 0.742 0.712 305 H ARG 39 HN ARG 39 -2.736 -1.608 5.493 306 HA ARG 39 HA ARG 39 -5.153 -2.921 4.877 307 HB2 ARG 39 HB2 ARG 39 -3.099 -3.532 7.008 308 HB3 ARG 39 HB1 ARG 39 -4.407 -4.611 6.545 309 HG2 ARG 39 HG2 ARG 39 -3.005 -5.498 5.077 310 HG3 ARG 39 HG1 ARG 39 -3.160 -4.004 4.151 311 HD2 ARG 39 HD2 ARG 39 -0.815 -4.573 4.541 312 HD3 ARG 39 HD1 ARG 39 -1.250 -3.058 5.331 313 HE ARG 39 HE ARG 39 -1.543 -4.620 7.376 314 HH11 ARG 39 HH11 ARG 39 0.873 -4.937 4.884 315 HH12 ARG 39 HH12 ARG 39 2.037 -5.678 5.929 316 HH21 ARG 39 HH21 ARG 39 -0.015 -5.594 8.758 317 HH22 ARG 39 HH22 ARG 39 1.534 -6.051 8.130 318 H GLU 40 HN GLU 40 -3.994 -2.079 8.136 319 HA GLU 40 HA GLU 40 -6.181 -2.515 9.626 320 HB2 GLU 40 HB2 GLU 40 -4.088 -1.689 10.550 321 HB3 GLU 40 HB1 GLU 40 -4.371 -0.108 9.837 322 HG2 GLU 40 HG2 GLU 40 -6.345 0.174 11.254 323 HG3 GLU 40 HG1 GLU 40 -6.043 -1.406 11.977 324 H ALA 41 HN ALA 41 -5.874 0.105 7.327 325 HA ALA 41 HA ALA 41 -8.046 1.651 8.311 326 HB1 ALA 41 HB1 ALA 41 -6.868 1.643 5.541 327 HB2 ALA 41 HB2 ALA 41 -6.252 2.574 6.907 328 HB3 ALA 41 HB3 ALA 41 -7.860 2.909 6.264 329 H PHE 42 HN PHE 42 -8.023 0.284 5.033 330 HA PHE 42 HA PHE 42 -10.871 0.108 5.050 331 HB2 PHE 42 HB2 PHE 42 -8.731 -0.523 3.057 332 HB3 PHE 42 HB1 PHE 42 -10.390 -1.032 2.765 333 HD1 PHE 42 HD1 PHE 42 -8.544 2.029 3.850 334 HD2 PHE 42 HD2 PHE 42 -11.716 0.376 1.544 335 HE1 PHE 42 HE1 PHE 42 -9.090 4.272 3.000 336 HE2 PHE 42 HE2 PHE 42 -12.265 2.617 0.688 337 HZ PHE 42 HZ PHE 42 -10.956 4.568 1.417 338 H LYS 43 HN LYS 43 -8.371 -2.101 5.867 339 HA LYS 43 HA LYS 43 -9.759 -4.498 5.256 340 HB2 LYS 43 HB2 LYS 43 -7.213 -3.989 5.938 341 HB3 LYS 43 HB1 LYS 43 -7.822 -4.522 7.498 342 HG2 LYS 43 HG2 LYS 43 -6.844 -6.372 6.286 343 HG3 LYS 43 HG1 LYS 43 -8.579 -6.614 6.478 344 HD2 LYS 43 HD2 LYS 43 -7.841 -7.213 4.222 345 HD3 LYS 43 HD1 LYS 43 -8.953 -5.844 4.192 346 HE2 LYS 43 HE2 LYS 43 -7.059 -4.307 3.981 347 HE3 LYS 43 HE1 LYS 43 -5.944 -5.674 4.030 348 HZ1 LYS 43 HZ1 LYS 43 -6.367 -4.910 1.765 349 HZ2 LYS 43 HZ2 LYS 43 -8.017 -5.234 1.948 350 HZ3 LYS 43 HZ3 LYS 43 -6.898 -6.501 1.984 351 H VAL 44 HN VAL 44 -9.557 -2.511 8.214 352 HA VAL 44 HA VAL 44 -11.007 -4.347 9.818 353 HB VAL 44 HB VAL 44 -11.394 -2.500 11.378 354 HG11 VAL 44 HG11 VAL 44 -8.598 -2.660 10.270 355 HG12 VAL 44 HG12 VAL 44 -9.303 -3.673 11.528 356 HG13 VAL 44 HG13 VAL 44 -9.021 -1.959 11.831 357 HG21 VAL 44 HG21 VAL 44 -10.083 -0.765 9.292 358 HG22 VAL 44 HG22 VAL 44 -10.546 -0.264 10.917 359 HG23 VAL 44 HG23 VAL 44 -11.785 -0.719 9.748 360 H PHE 45 HN PHE 45 -12.002 -1.742 7.650 361 HA PHE 45 HA PHE 45 -14.683 -1.579 8.492 362 HB2 PHE 45 HB2 PHE 45 -13.449 -1.059 5.780 363 HB3 PHE 45 HB1 PHE 45 -15.135 -0.728 6.159 364 HD1 PHE 45 HD2 PHE 45 -15.272 0.561 8.612 365 HD2 PHE 45 HD1 PHE 45 -12.157 0.823 5.731 366 HE1 PHE 45 HE2 PHE 45 -14.645 2.769 9.497 367 HE2 PHE 45 HE1 PHE 45 -11.519 3.028 6.610 368 HZ PHE 45 HZ PHE 45 -12.765 4.006 8.496 369 H ASP 46 HN ASP 46 -13.010 -4.054 6.861 370 HA ASP 46 HA ASP 46 -15.230 -5.219 5.489 371 HB2 ASP 46 HB2 ASP 46 -12.915 -5.674 4.803 372 HB3 ASP 46 HB1 ASP 46 -12.598 -6.443 6.354 373 H ARG 47 HN ARG 47 -16.942 -5.552 6.842 374 HA ARG 47 HA ARG 47 -16.807 -6.503 9.471 375 HB2 ARG 47 HB2 ARG 47 -19.116 -6.842 7.554 376 HB3 ARG 47 HB1 ARG 47 -19.193 -6.859 9.310 377 HG2 ARG 47 HG2 ARG 47 -18.374 -4.489 9.277 378 HG3 ARG 47 HG1 ARG 47 -18.580 -4.518 7.525 379 HD2 ARG 47 HD2 ARG 47 -20.743 -5.008 9.570 380 HD3 ARG 47 HD1 ARG 47 -20.521 -3.531 8.634 381 HE ARG 47 HE ARG 47 -20.837 -5.157 6.646 382 HH11 ARG 47 HH11 ARG 47 -22.457 -5.351 9.727 383 HH12 ARG 47 HH12 ARG 47 -23.878 -6.099 9.077 384 HH21 ARG 47 HH21 ARG 47 -22.702 -6.146 5.785 385 HH22 ARG 47 HH22 ARG 47 -24.016 -6.552 6.838 386 H ASP 48 HN ASP 48 -17.077 -8.238 6.404 387 HA ASP 48 HA ASP 48 -17.498 -10.782 7.659 388 HB2 ASP 48 HB2 ASP 48 -16.631 -10.196 4.822 389 HB3 ASP 48 HB1 ASP 48 -17.297 -11.711 5.422 390 H GLY 49 HN GLY 49 -14.747 -8.873 6.902 391 HA2 GLY 49 HA2 GLY 49 -12.495 -9.234 7.152 392 HA3 GLY 49 HA1 GLY 49 -12.947 -10.497 8.285 393 H ASN 50 HN ASN 50 -14.205 -10.926 5.148 394 HA ASN 50 HA ASN 50 -12.705 -13.315 4.755 395 HB2 ASN 50 HB2 ASN 50 -13.857 -13.231 2.453 396 HB3 ASN 50 HB1 ASN 50 -14.881 -13.382 3.878 397 HD21 ASN 50 HD21 ASN 50 -16.646 -12.538 2.776 398 HD22 ASN 50 HD22 ASN 50 -16.778 -10.855 2.407 399 H GLY 51 HN GLY 51 -11.819 -10.175 4.361 400 HA2 GLY 51 HA2 GLY 51 -9.644 -9.584 3.598 401 HA3 GLY 51 HA1 GLY 51 -9.693 -10.947 2.490 402 H PHE 52 HN PHE 52 -12.634 -9.703 2.122 403 HA PHE 52 HA PHE 52 -11.778 -7.748 0.089 404 HB2 PHE 52 HB2 PHE 52 -14.240 -9.438 -0.240 405 HB3 PHE 52 HB1 PHE 52 -13.307 -8.592 -1.469 406 HD1 PHE 52 HD1 PHE 52 -11.160 -9.512 -2.244 407 HD2 PHE 52 HD2 PHE 52 -13.668 -11.635 0.458 408 HE1 PHE 52 HE1 PHE 52 -9.933 -11.586 -2.741 409 HE2 PHE 52 HE2 PHE 52 -12.445 -13.713 -0.032 410 HZ PHE 52 HZ PHE 52 -10.574 -13.690 -1.633 411 H ILE 53 HN ILE 53 -13.198 -6.004 -0.321 412 HA ILE 53 HA ILE 53 -15.120 -5.502 1.857 413 HB ILE 53 HB ILE 53 -13.568 -3.477 0.238 414 HG12 ILE 53 HG12 ILE 53 -13.272 -3.902 3.192 415 HG13 ILE 53 HG11 ILE 53 -12.407 -4.953 2.075 416 HG21 ILE 53 HG21 ILE 53 -15.735 -2.618 0.884 417 HG22 ILE 53 HG22 ILE 53 -14.477 -1.848 1.852 418 HG23 ILE 53 HG23 ILE 53 -15.470 -3.126 2.552 419 HD11 ILE 53 HD11 ILE 53 -12.188 -1.961 2.256 420 HD12 ILE 53 HD12 ILE 53 -11.370 -2.967 1.060 421 HD13 ILE 53 HD13 ILE 53 -10.988 -3.146 2.773 422 H SER 54 HN SER 54 -17.182 -5.453 1.274 423 HA SER 54 HA SER 54 -17.911 -5.290 -1.526 424 HB2 SER 54 HB2 SER 54 -19.537 -5.738 0.985 425 HB3 SER 54 HB1 SER 54 -20.231 -5.691 -0.634 426 HG SER 54 HG SER 54 -19.395 -7.598 -1.063 427 H LYS 55 HN LYS 55 -20.108 -3.969 -1.865 428 HA LYS 55 HA LYS 55 -19.433 -1.262 -1.750 429 HB2 LYS 55 HB2 LYS 55 -21.991 -2.732 -2.307 430 HB3 LYS 55 HB1 LYS 55 -21.951 -0.976 -2.278 431 HG2 LYS 55 HG2 LYS 55 -20.570 -0.847 -4.141 432 HG3 LYS 55 HG1 LYS 55 -20.035 -2.519 -3.981 433 HD2 LYS 55 HD2 LYS 55 -22.850 -1.692 -4.678 434 HD3 LYS 55 HD1 LYS 55 -21.621 -2.132 -5.864 435 HE2 LYS 55 HE2 LYS 55 -22.707 -3.899 -3.675 436 HE3 LYS 55 HE1 LYS 55 -23.078 -4.022 -5.394 437 HZ1 LYS 55 HZ1 LYS 55 -21.403 -5.632 -4.707 438 HZ2 LYS 55 HZ2 LYS 55 -20.387 -4.384 -4.189 439 HZ3 LYS 55 HZ3 LYS 55 -20.767 -4.539 -5.830 440 H GLN 56 HN GLN 56 -22.005 -2.945 0.061 441 HA GLN 56 HA GLN 56 -22.819 -0.845 1.662 442 HB2 GLN 56 HB2 GLN 56 -22.760 -3.811 2.189 443 HB3 GLN 56 HB1 GLN 56 -23.482 -2.669 3.314 444 HG2 GLN 56 HG2 GLN 56 -25.234 -3.554 2.004 445 HG3 GLN 56 HG1 GLN 56 -24.962 -1.903 1.449 446 HE21 GLN 56 HE21 GLN 56 -25.872 -2.273 -0.550 447 HE22 GLN 56 HE22 GLN 56 -25.103 -3.231 -1.764 448 H GLU 57 HN GLU 57 -20.004 -2.898 1.990 449 HA GLU 57 HA GLU 57 -19.403 -2.067 4.675 450 HB2 GLU 57 HB2 GLU 57 -17.695 -3.471 2.610 451 HB3 GLU 57 HB1 GLU 57 -17.264 -3.256 4.300 452 HG2 GLU 57 HG2 GLU 57 -19.117 -4.629 4.996 453 HG3 GLU 57 HG1 GLU 57 -19.682 -4.761 3.331 454 H LEU 58 HN LEU 58 -18.101 -1.349 1.460 455 HA LEU 58 HA LEU 58 -16.124 0.469 2.238 456 HB2 LEU 58 HB2 LEU 58 -16.675 -0.659 -0.061 457 HB3 LEU 58 HB1 LEU 58 -17.661 0.762 -0.323 458 HG LEU 58 HG LEU 58 -15.353 0.811 -1.336 459 HD11 LEU 58 HD11 LEU 58 -16.748 2.823 -0.905 460 HD12 LEU 58 HD12 LEU 58 -15.011 3.127 -0.896 461 HD13 LEU 58 HD13 LEU 58 -15.895 3.026 0.625 462 HD21 LEU 58 HD21 LEU 58 -13.470 1.312 0.088 463 HD22 LEU 58 HD22 LEU 58 -14.181 -0.229 0.564 464 HD23 LEU 58 HD23 LEU 58 -14.491 1.219 1.523 465 H GLY 59 HN GLY 59 -19.569 0.796 1.867 466 HA2 GLY 59 HA2 GLY 59 -19.734 3.611 1.665 467 HA3 GLY 59 HA1 GLY 59 -21.013 2.546 2.231 468 H THR 60 HN THR 60 -18.999 1.532 4.292 469 HA THR 60 HA THR 60 -19.696 3.485 6.326 470 HB THR 60 HB THR 60 -18.204 0.878 6.687 471 HG1 THR 60 HG1 THR 60 -20.916 1.103 7.328 472 HG21 THR 60 HG21 THR 60 -19.008 1.044 8.999 473 HG22 THR 60 HG22 THR 60 -19.769 2.590 8.623 474 HG23 THR 60 HG23 THR 60 -18.013 2.434 8.565 475 H ALA 61 HN ALA 61 -17.005 2.516 4.424 476 HA ALA 61 HA ALA 61 -14.944 3.536 6.123 477 HB1 ALA 61 HB1 ALA 61 -14.507 1.808 4.447 478 HB2 ALA 61 HB2 ALA 61 -13.482 3.222 4.199 479 HB3 ALA 61 HB3 ALA 61 -14.885 2.958 3.164 480 H MET 62 HN MET 62 -16.506 4.750 3.162 481 HA MET 62 HA MET 62 -15.112 7.162 2.975 482 HB2 MET 62 HB2 MET 62 -17.940 6.556 2.098 483 HB3 MET 62 HB1 MET 62 -16.970 7.918 1.553 484 HG2 MET 62 HG2 MET 62 -15.374 6.392 0.534 485 HG3 MET 62 HG1 MET 62 -16.313 5.015 1.107 486 HE1 MET 62 HE1 MET 62 -17.890 8.048 -1.996 487 HE2 MET 62 HE2 MET 62 -16.273 8.136 -1.300 488 HE3 MET 62 HE3 MET 62 -17.686 8.420 -0.285 489 H ARG 63 HN ARG 63 -18.276 6.509 4.492 490 HA ARG 63 HA ARG 63 -18.882 9.089 5.301 491 HB2 ARG 63 HB2 ARG 63 -20.333 8.085 6.986 492 HB3 ARG 63 HB1 ARG 63 -20.463 7.222 5.460 493 HG2 ARG 63 HG2 ARG 63 -19.080 5.439 6.294 494 HG3 ARG 63 HG1 ARG 63 -18.781 6.326 7.789 495 HD2 ARG 63 HD2 ARG 63 -20.478 4.585 8.088 496 HD3 ARG 63 HD1 ARG 63 -21.137 6.196 8.363 497 HE ARG 63 HE ARG 63 -21.619 5.584 5.706 498 HH11 ARG 63 HH11 ARG 63 -22.493 4.320 8.834 499 HH12 ARG 63 HH12 ARG 63 -24.023 3.707 8.303 500 HH21 ARG 63 HH21 ARG 63 -23.631 4.779 4.996 501 HH22 ARG 63 HH22 ARG 63 -24.670 3.968 6.120 502 H SER 64 HN SER 64 -16.688 6.765 6.734 503 HA SER 64 HA SER 64 -16.349 7.940 9.248 504 HB2 SER 64 HB2 SER 64 -15.461 5.720 8.705 505 HB3 SER 64 HB1 SER 64 -14.317 6.442 7.575 506 HG SER 64 HG SER 64 -13.995 7.691 9.864 507 H LEU 65 HN LEU 65 -14.778 8.599 6.156 508 HA LEU 65 HA LEU 65 -12.981 10.553 7.211 509 HB2 LEU 65 HB2 LEU 65 -13.872 10.311 4.345 510 HB3 LEU 65 HB1 LEU 65 -12.367 10.974 4.949 511 HG LEU 65 HG LEU 65 -13.165 8.063 5.034 512 HD11 LEU 65 HD11 LEU 65 -11.103 9.488 3.360 513 HD12 LEU 65 HD12 LEU 65 -12.650 8.870 2.782 514 HD13 LEU 65 HD13 LEU 65 -11.419 7.753 3.372 515 HD21 LEU 65 HD21 LEU 65 -10.851 7.689 5.774 516 HD22 LEU 65 HD22 LEU 65 -11.776 8.640 6.936 517 HD23 LEU 65 HD23 LEU 65 -10.613 9.434 5.873 518 H GLY 66 HN GLY 66 -16.274 10.555 6.243 519 HA2 GLY 66 HA2 GLY 66 -17.564 12.488 7.094 520 HA3 GLY 66 HA1 GLY 66 -16.309 13.506 6.403 521 H TYR 67 HN TYR 67 -17.163 10.748 4.573 522 HA TYR 67 HA TYR 67 -18.906 12.375 2.841 523 HB2 TYR 67 HB2 TYR 67 -16.994 10.294 1.789 524 HB3 TYR 67 HB1 TYR 67 -17.857 11.534 0.887 525 HD1 TYR 67 HD1 TYR 67 -17.215 13.991 1.381 526 HD2 TYR 67 HD2 TYR 67 -14.808 10.662 2.487 527 HE1 TYR 67 HE1 TYR 67 -15.256 15.470 1.550 528 HE2 TYR 67 HE2 TYR 67 -12.844 12.131 2.660 529 HH TYR 67 HH TYR 67 -12.076 14.291 1.799 530 H MET 68 HN MET 68 -20.803 11.450 3.620 531 HA MET 68 HA MET 68 -21.095 8.581 3.721 532 HB2 MET 68 HB2 MET 68 -23.467 9.131 4.337 533 HB3 MET 68 HB1 MET 68 -22.246 9.803 5.408 534 HG2 MET 68 HG2 MET 68 -22.455 11.964 4.242 535 HG3 MET 68 HG1 MET 68 -23.738 11.275 3.249 536 HE1 MET 68 HE1 MET 68 -24.152 13.944 4.858 537 HE2 MET 68 HE2 MET 68 -25.734 13.679 5.590 538 HE3 MET 68 HE3 MET 68 -25.440 13.183 3.924 539 HA PRO 69 HA PRO 69 -22.559 8.648 -0.553 540 HB2 PRO 69 HB2 PRO 69 -21.835 6.178 -1.210 541 HB3 PRO 69 HB1 PRO 69 -20.613 7.430 -0.951 542 HG2 PRO 69 HG2 PRO 69 -21.450 5.197 0.841 543 HG3 PRO 69 HG1 PRO 69 -19.835 5.875 0.571 544 HD2 PRO 69 HD2 PRO 69 -21.555 6.485 2.705 545 HD3 PRO 69 HD1 PRO 69 -20.113 7.401 2.229 546 H ASN 70 HN ASN 70 -24.380 7.884 -1.559 547 HA ASN 70 HA ASN 70 -26.337 6.562 0.117 548 HB2 ASN 70 HB2 ASN 70 -26.576 7.531 -2.739 549 HB3 ASN 70 HB1 ASN 70 -27.904 7.056 -1.686 550 HD21 ASN 70 HD21 ASN 70 -26.953 9.609 -3.068 551 HD22 ASN 70 HD22 ASN 70 -27.095 10.805 -1.834 552 H GLU 71 HN GLU 71 -27.742 4.847 -0.965 553 HA GLU 71 HA GLU 71 -26.169 2.594 -1.558 554 HB2 GLU 71 HB2 GLU 71 -28.296 1.472 -2.082 555 HB3 GLU 71 HB1 GLU 71 -28.399 2.387 -0.585 556 HG2 GLU 71 HG2 GLU 71 -29.341 3.503 -3.203 557 HG3 GLU 71 HG1 GLU 71 -30.374 2.517 -2.170 558 H VAL 72 HN VAL 72 -27.159 5.188 -3.484 559 HA VAL 72 HA VAL 72 -27.038 3.720 -5.998 560 HB VAL 72 HB VAL 72 -27.262 6.703 -5.783 561 HG11 VAL 72 HG11 VAL 72 -26.965 5.749 -7.995 562 HG12 VAL 72 HG12 VAL 72 -28.581 6.436 -7.830 563 HG13 VAL 72 HG13 VAL 72 -28.352 4.689 -7.743 564 HG21 VAL 72 HG21 VAL 72 -29.480 4.710 -5.352 565 HG22 VAL 72 HG22 VAL 72 -29.735 6.418 -5.707 566 HG23 VAL 72 HG23 VAL 72 -28.909 5.941 -4.224 567 H GLU 73 HN GLU 73 -25.048 5.768 -4.017 568 HA GLU 73 HA GLU 73 -23.183 6.325 -6.177 569 HB2 GLU 73 HB2 GLU 73 -23.012 7.093 -3.263 570 HB3 GLU 73 HB1 GLU 73 -22.007 7.711 -4.566 571 HG2 GLU 73 HG2 GLU 73 -24.971 8.124 -4.245 572 HG3 GLU 73 HG1 GLU 73 -23.706 9.320 -3.969 573 H LEU 74 HN LEU 74 -23.105 4.604 -3.043 574 HA LEU 74 HA LEU 74 -20.435 3.855 -3.096 575 HB2 LEU 74 HB2 LEU 74 -20.892 2.513 -1.318 576 HB3 LEU 74 HB1 LEU 74 -22.323 3.521 -1.297 577 HG LEU 74 HG LEU 74 -22.157 0.736 -2.447 578 HD11 LEU 74 HD11 LEU 74 -23.503 0.066 -0.568 579 HD12 LEU 74 HD12 LEU 74 -23.561 1.725 0.026 580 HD13 LEU 74 HD13 LEU 74 -22.033 0.845 0.018 581 HD21 LEU 74 HD21 LEU 74 -23.765 2.047 -3.667 582 HD22 LEU 74 HD22 LEU 74 -24.478 2.627 -2.164 583 HD23 LEU 74 HD23 LEU 74 -24.607 0.923 -2.601 584 H GLU 75 HN GLU 75 -22.912 2.869 -5.182 585 HA GLU 75 HA GLU 75 -21.802 0.302 -5.857 586 HB2 GLU 75 HB2 GLU 75 -23.879 1.975 -7.280 587 HB3 GLU 75 HB1 GLU 75 -23.476 0.310 -7.671 588 HG2 GLU 75 HG2 GLU 75 -24.203 -0.363 -5.414 589 HG3 GLU 75 HG1 GLU 75 -24.680 1.305 -5.101 590 H VAL 76 HN VAL 76 -21.702 3.568 -7.215 591 HA VAL 76 HA VAL 76 -20.227 2.709 -9.539 592 HB VAL 76 HB VAL 76 -20.152 5.023 -10.199 593 HG11 VAL 76 HG11 VAL 76 -22.235 3.839 -10.603 594 HG12 VAL 76 HG12 VAL 76 -22.549 5.539 -10.258 595 HG13 VAL 76 HG13 VAL 76 -22.835 4.319 -9.017 596 HG21 VAL 76 HG21 VAL 76 -19.674 5.954 -7.947 597 HG22 VAL 76 HG22 VAL 76 -21.371 5.718 -7.531 598 HG23 VAL 76 HG23 VAL 76 -20.927 6.835 -8.820 599 H ILE 77 HN ILE 77 -19.464 3.687 -6.355 600 HA ILE 77 HA ILE 77 -16.811 4.632 -6.963 601 HB ILE 77 HB ILE 77 -18.086 3.953 -4.312 602 HG12 ILE 77 HG12 ILE 77 -17.445 6.740 -5.038 603 HG13 ILE 77 HG11 ILE 77 -18.722 5.997 -5.996 604 HG21 ILE 77 HG21 ILE 77 -15.489 5.358 -4.931 605 HG22 ILE 77 HG22 ILE 77 -15.676 3.789 -4.147 606 HG23 ILE 77 HG23 ILE 77 -16.230 5.253 -3.334 607 HD11 ILE 77 HD11 ILE 77 -18.663 6.213 -2.998 608 HD12 ILE 77 HD12 ILE 77 -19.941 5.467 -3.957 609 HD13 ILE 77 HD13 ILE 77 -19.628 7.196 -4.098 610 H ILE 78 HN ILE 78 -18.281 1.618 -5.902 611 HA ILE 78 HA ILE 78 -15.836 0.349 -5.185 612 HB ILE 78 HB ILE 78 -18.633 -0.606 -5.637 613 HG12 ILE 78 HG12 ILE 78 -17.947 0.393 -3.476 614 HG13 ILE 78 HG11 ILE 78 -18.451 -1.284 -3.311 615 HG21 ILE 78 HG21 ILE 78 -16.216 -2.384 -5.363 616 HG22 ILE 78 HG22 ILE 78 -17.401 -2.368 -6.670 617 HG23 ILE 78 HG23 ILE 78 -17.870 -2.917 -5.061 618 HD11 ILE 78 HD11 ILE 78 -16.064 -1.945 -3.306 619 HD12 ILE 78 HD12 ILE 78 -16.521 -0.912 -1.954 620 HD13 ILE 78 HD13 ILE 78 -15.634 -0.235 -3.319 621 H GLN 79 HN GLN 79 -17.550 0.751 -8.215 622 HA GLN 79 HA GLN 79 -16.170 -1.382 -9.552 623 HB2 GLN 79 HB2 GLN 79 -17.176 -0.442 -11.603 624 HB3 GLN 79 HB1 GLN 79 -18.364 -0.727 -10.338 625 HG2 GLN 79 HG2 GLN 79 -18.370 1.637 -9.787 626 HG3 GLN 79 HG1 GLN 79 -17.138 1.938 -11.011 627 HE21 GLN 79 HE21 GLN 79 -20.471 1.138 -10.429 628 HE22 GLN 79 HE22 GLN 79 -21.040 1.465 -12.027 629 H ARG 80 HN ARG 80 -15.270 1.676 -8.536 630 HA ARG 80 HA ARG 80 -13.528 2.339 -10.731 631 HB2 ARG 80 HB2 ARG 80 -13.654 3.458 -7.923 632 HB3 ARG 80 HB1 ARG 80 -12.732 4.142 -9.254 633 HG2 ARG 80 HG2 ARG 80 -15.716 3.802 -9.333 634 HG3 ARG 80 HG1 ARG 80 -14.922 5.261 -8.737 635 HD2 ARG 80 HD2 ARG 80 -15.445 5.698 -10.992 636 HD3 ARG 80 HD1 ARG 80 -13.719 5.346 -10.965 637 HE ARG 80 HE ARG 80 -15.226 3.000 -11.494 638 HH11 ARG 80 HH11 ARG 80 -14.087 5.946 -12.968 639 HH12 ARG 80 HH12 ARG 80 -14.086 5.294 -14.572 640 HH21 ARG 80 HH21 ARG 80 -15.230 2.136 -13.604 641 HH22 ARG 80 HH22 ARG 80 -14.735 3.130 -14.934 642 H LEU 81 HN LEU 81 -13.294 0.723 -7.645 643 HA LEU 81 HA LEU 81 -10.399 0.436 -7.896 644 HB2 LEU 81 HB2 LEU 81 -12.339 -0.341 -5.716 645 HB3 LEU 81 HB1 LEU 81 -10.634 -0.740 -5.673 646 HG LEU 81 HG LEU 81 -11.039 1.180 -4.279 647 HD11 LEU 81 HD11 LEU 81 -9.501 2.792 -5.276 648 HD12 LEU 81 HD12 LEU 81 -9.675 1.995 -6.839 649 HD13 LEU 81 HD13 LEU 81 -8.931 1.137 -5.490 650 HD21 LEU 81 HD21 LEU 81 -13.105 1.946 -5.380 651 HD22 LEU 81 HD22 LEU 81 -12.141 2.560 -6.723 652 HD23 LEU 81 HD23 LEU 81 -11.954 3.255 -5.114 653 H ASP 82 HN ASP 82 -13.358 -1.467 -7.859 654 HA ASP 82 HA ASP 82 -12.061 -3.991 -8.144 655 HB2 ASP 82 HB2 ASP 82 -14.283 -3.799 -7.135 656 HB3 ASP 82 HB1 ASP 82 -14.932 -3.188 -8.653 657 H MET 83 HN MET 83 -10.654 -3.634 -9.927 658 HA MET 83 HA MET 83 -11.694 -2.946 -12.508 659 HB2 MET 83 HB2 MET 83 -9.398 -3.505 -13.298 660 HB3 MET 83 HB1 MET 83 -9.434 -2.322 -11.997 661 HG2 MET 83 HG2 MET 83 -8.861 -4.076 -10.394 662 HG3 MET 83 HG1 MET 83 -8.815 -5.254 -11.704 663 HE1 MET 83 HE1 MET 83 -7.601 -1.524 -11.716 664 HE2 MET 83 HE2 MET 83 -5.888 -1.705 -11.336 665 HE3 MET 83 HE3 MET 83 -7.106 -2.084 -10.118 666 H ASP 84 HN ASP 84 -10.772 -5.937 -10.883 667 HA ASP 84 HA ASP 84 -11.005 -7.579 -13.194 668 HB2 ASP 84 HB2 ASP 84 -10.907 -9.462 -11.610 669 HB3 ASP 84 HB1 ASP 84 -9.647 -8.271 -11.295 670 H GLY 85 HN GLY 85 -13.281 -6.365 -10.872 671 HA2 GLY 85 HA2 GLY 85 -15.598 -6.340 -11.074 672 HA3 GLY 85 HA1 GLY 85 -15.462 -7.419 -12.452 673 H ASP 86 HN ASP 86 -14.708 -7.579 -8.961 674 HA ASP 86 HA ASP 86 -16.036 -10.210 -8.920 675 HB2 ASP 86 HB2 ASP 86 -14.625 -10.820 -7.054 676 HB3 ASP 86 HB1 ASP 86 -13.611 -10.240 -8.371 677 H GLY 87 HN GLY 87 -16.733 -7.146 -8.257 678 HA2 GLY 87 HA2 GLY 87 -18.569 -6.322 -7.088 679 HA3 GLY 87 HA1 GLY 87 -18.715 -7.874 -6.277 680 H GLN 88 HN GLN 88 -15.712 -7.577 -5.668 681 HA GLN 88 HA GLN 88 -15.956 -5.617 -3.486 682 HB2 GLN 88 HB2 GLN 88 -14.712 -8.365 -3.278 683 HB3 GLN 88 HB1 GLN 88 -14.759 -7.159 -2.000 684 HG2 GLN 88 HG2 GLN 88 -17.204 -7.277 -1.985 685 HG3 GLN 88 HG1 GLN 88 -17.145 -8.505 -3.248 686 HE21 GLN 88 HE21 GLN 88 -16.577 -7.802 0.101 687 HE22 GLN 88 HE22 GLN 88 -16.398 -9.437 0.627 688 H VAL 89 HN VAL 89 -13.794 -5.031 -2.548 689 HA VAL 89 HA VAL 89 -11.865 -4.726 -4.741 690 HB VAL 89 HB VAL 89 -12.000 -3.171 -2.156 691 HG11 VAL 89 HG11 VAL 89 -10.481 -2.673 -4.715 692 HG12 VAL 89 HG12 VAL 89 -9.791 -3.183 -3.174 693 HG13 VAL 89 HG13 VAL 89 -10.532 -1.590 -3.324 694 HG21 VAL 89 HG21 VAL 89 -13.065 -2.471 -4.890 695 HG22 VAL 89 HG22 VAL 89 -12.957 -1.355 -3.529 696 HG23 VAL 89 HG23 VAL 89 -14.013 -2.764 -3.432 697 H ASP 90 HN ASP 90 -9.884 -5.579 -4.648 698 HA ASP 90 HA ASP 90 -9.200 -7.202 -2.325 699 HB2 ASP 90 HB2 ASP 90 -7.945 -7.029 -5.070 700 HB3 ASP 90 HB1 ASP 90 -7.421 -8.125 -3.796 701 H PHE 91 HN PHE 91 -7.137 -7.120 -1.326 702 HA PHE 91 HA PHE 91 -6.255 -4.656 -0.518 703 HB2 PHE 91 HB2 PHE 91 -5.646 -6.614 0.718 704 HB3 PHE 91 HB1 PHE 91 -4.764 -7.278 -0.652 705 HD1 PHE 91 HD1 PHE 91 -4.773 -4.147 1.388 706 HD2 PHE 91 HD2 PHE 91 -2.483 -7.183 -0.522 707 HE1 PHE 91 HE1 PHE 91 -2.706 -3.112 2.229 708 HE2 PHE 91 HE2 PHE 91 -0.412 -6.154 0.316 709 HZ PHE 91 HZ PHE 91 -0.521 -4.116 1.694 710 H GLU 92 HN GLU 92 -4.558 -6.720 -2.888 711 HA GLU 92 HA GLU 92 -2.491 -5.082 -3.580 712 HB2 GLU 92 HB2 GLU 92 -4.111 -6.825 -5.441 713 HB3 GLU 92 HB1 GLU 92 -2.513 -6.182 -5.795 714 HG2 GLU 92 HG2 GLU 92 -1.609 -7.420 -3.877 715 HG3 GLU 92 HG1 GLU 92 -3.209 -8.099 -3.581 716 H GLU 93 HN GLU 93 -5.583 -5.160 -5.370 717 HA GLU 93 HA GLU 93 -5.167 -3.130 -7.137 718 HB2 GLU 93 HB2 GLU 93 -7.711 -3.763 -5.635 719 HB3 GLU 93 HB1 GLU 93 -7.629 -2.740 -7.063 720 HG2 GLU 93 HG2 GLU 93 -6.920 -4.572 -8.420 721 HG3 GLU 93 HG1 GLU 93 -6.740 -5.612 -7.008 722 H PHE 94 HN PHE 94 -6.132 -2.784 -3.750 723 HA PHE 94 HA PHE 94 -6.342 0.091 -3.980 724 HB2 PHE 94 HB2 PHE 94 -7.884 -1.162 -2.535 725 HB3 PHE 94 HB1 PHE 94 -6.528 -1.696 -1.548 726 HD1 PHE 94 HD2 PHE 94 -8.201 1.403 -2.753 727 HD2 PHE 94 HD1 PHE 94 -5.924 -0.473 0.313 728 HE1 PHE 94 HE2 PHE 94 -8.437 3.413 -1.353 729 HE2 PHE 94 HE1 PHE 94 -6.156 1.533 1.719 730 HZ PHE 94 HZ PHE 94 -7.414 3.480 0.886 731 H VAL 95 HN VAL 95 -3.873 -2.178 -3.137 732 HA VAL 95 HA VAL 95 -2.369 -0.356 -1.498 733 HB VAL 95 HB VAL 95 -2.289 -2.983 -1.546 734 HG11 VAL 95 HG11 VAL 95 -1.510 -3.000 -3.946 735 HG12 VAL 95 HG12 VAL 95 -0.550 -3.957 -2.822 736 HG13 VAL 95 HG13 VAL 95 0.034 -2.382 -3.362 737 HG21 VAL 95 HG21 VAL 95 -0.067 -2.901 -0.517 738 HG22 VAL 95 HG22 VAL 95 -1.096 -1.579 0.036 739 HG23 VAL 95 HG23 VAL 95 0.164 -1.275 -1.160 740 H THR 96 HN THR 96 -2.484 -1.166 -4.903 741 HA THR 96 HA THR 96 0.006 0.071 -5.565 742 HB THR 96 HB THR 96 -2.335 -0.564 -7.371 743 HG1 THR 96 HG1 THR 96 -1.600 -2.466 -6.447 744 HG21 THR 96 HG21 THR 96 -0.662 -0.550 -9.163 745 HG22 THR 96 HG22 THR 96 0.579 -0.078 -8.002 746 HG23 THR 96 HG23 THR 96 -0.754 1.019 -8.362 747 H LEU 97 HN LEU 97 -3.410 1.038 -5.842 748 HA LEU 97 HA LEU 97 -2.855 3.590 -6.951 749 HB2 LEU 97 HB2 LEU 97 -5.290 2.672 -5.421 750 HB3 LEU 97 HB1 LEU 97 -5.190 4.110 -6.419 751 HG LEU 97 HG LEU 97 -4.949 1.269 -7.413 752 HD11 LEU 97 HD11 LEU 97 -7.212 1.815 -6.716 753 HD12 LEU 97 HD12 LEU 97 -7.110 1.701 -8.473 754 HD13 LEU 97 HD13 LEU 97 -7.174 3.282 -7.693 755 HD21 LEU 97 HD21 LEU 97 -5.042 2.290 -9.645 756 HD22 LEU 97 HD22 LEU 97 -3.609 2.793 -8.747 757 HD23 LEU 97 HD23 LEU 97 -4.981 3.890 -8.906 758 H LEU 98 HN LEU 98 -2.495 2.357 -3.821 759 HA LEU 98 HA LEU 98 -2.886 4.867 -2.438 760 HB2 LEU 98 HB2 LEU 98 -3.004 2.258 -1.659 761 HB3 LEU 98 HB1 LEU 98 -1.410 2.704 -1.087 762 HG LEU 98 HG LEU 98 -3.155 2.938 0.643 763 HD11 LEU 98 HD11 LEU 98 -1.934 5.556 -0.210 764 HD12 LEU 98 HD12 LEU 98 -1.135 4.306 0.745 765 HD13 LEU 98 HD13 LEU 98 -2.532 5.160 1.401 766 HD21 LEU 98 HD21 LEU 98 -4.243 5.139 -1.106 767 HD22 LEU 98 HD22 LEU 98 -4.822 4.682 0.496 768 HD23 LEU 98 HD23 LEU 98 -5.003 3.567 -0.859 769 H GLY 99 HN GLY 99 -0.408 3.367 -4.194 770 HA2 GLY 99 HA2 GLY 99 1.587 5.197 -3.002 771 HA3 GLY 99 HA1 GLY 99 2.001 3.590 -3.583 772 HA PRO 100 HA PRO 100 2.821 6.918 -6.876 773 HB2 PRO 100 HB2 PRO 100 5.270 5.245 -7.091 774 HB3 PRO 100 HB1 PRO 100 5.100 7.003 -7.131 775 HG2 PRO 100 HG2 PRO 100 6.076 5.779 -4.977 776 HG3 PRO 100 HG1 PRO 100 4.997 7.178 -4.821 777 HD2 PRO 100 HD2 PRO 100 4.406 4.272 -4.438 778 HD3 PRO 100 HD1 PRO 100 3.807 5.675 -3.529 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -44.698 -22.244 -22.146 2 H2 MET 1 HT2 MET 1 -43.348 -23.241 -22.355 3 H3 MET 1 HT3 MET 1 -44.732 -23.484 -23.296 4 HA MET 1 HA MET 1 -42.993 -22.394 -24.562 5 HB2 MET 1 HB2 MET 1 -45.332 -20.577 -23.950 6 HB3 MET 1 HB1 MET 1 -44.342 -20.533 -25.402 7 HG2 MET 1 HG2 MET 1 -45.096 -22.833 -25.925 8 HG3 MET 1 HG1 MET 1 -46.174 -22.753 -24.533 9 HE1 MET 1 HE1 MET 1 -46.555 -20.091 -28.282 10 HE2 MET 1 HE2 MET 1 -45.366 -21.381 -28.107 11 HE3 MET 1 HE3 MET 1 -45.238 -19.925 -27.122 12 HA PRO 2 HA PRO 2 -40.764 -19.771 -21.523 13 HB2 PRO 2 HB2 PRO 2 -38.338 -20.061 -22.732 14 HB3 PRO 2 HB1 PRO 2 -38.987 -21.221 -21.568 15 HG2 PRO 2 HG2 PRO 2 -38.995 -21.337 -24.561 16 HG3 PRO 2 HG1 PRO 2 -38.635 -22.622 -23.393 17 HD2 PRO 2 HD2 PRO 2 -41.026 -22.442 -24.618 18 HD3 PRO 2 HD1 PRO 2 -40.870 -23.014 -22.944 19 H PHE 3 HN PHE 3 -40.610 -17.630 -21.695 20 HA PHE 3 HA PHE 3 -40.835 -16.383 -24.298 21 HB2 PHE 3 HB2 PHE 3 -40.787 -15.235 -21.501 22 HB3 PHE 3 HB1 PHE 3 -40.993 -14.270 -22.959 23 HD1 PHE 3 HD2 PHE 3 -42.519 -16.917 -20.887 24 HD2 PHE 3 HD1 PHE 3 -43.085 -14.110 -24.035 25 HE1 PHE 3 HE2 PHE 3 -44.944 -17.318 -20.803 26 HE2 PHE 3 HE1 PHE 3 -45.512 -14.505 -23.956 27 HZ PHE 3 HZ PHE 3 -46.445 -16.112 -22.339 28 H HIS 4 HN HIS 4 -38.339 -17.320 -22.250 29 HA HIS 4 HA HIS 4 -36.515 -15.230 -23.160 30 HB2 HIS 4 HB2 HIS 4 -34.898 -16.346 -21.585 31 HB3 HIS 4 HB1 HIS 4 -36.342 -15.690 -20.822 32 HD1 HIS 4 HD1 HIS 4 -34.615 -18.910 -21.596 33 HD2 HIS 4 HD2 HIS 4 -38.079 -17.594 -19.714 34 HE1 HIS 4 HE1 HIS 4 -35.504 -20.907 -20.352 35 HE2 HIS 4 HE2 HIS 4 -37.641 -20.107 -19.284 36 HA PRO 5 HA PRO 5 -35.223 -17.987 -26.466 37 HB2 PRO 5 HB2 PRO 5 -33.090 -15.997 -26.871 38 HB3 PRO 5 HB1 PRO 5 -34.350 -16.532 -27.986 39 HG2 PRO 5 HG2 PRO 5 -34.404 -14.093 -26.867 40 HG3 PRO 5 HG1 PRO 5 -35.889 -15.008 -27.188 41 HD2 PRO 5 HD2 PRO 5 -34.418 -14.629 -24.607 42 HD3 PRO 5 HD1 PRO 5 -36.167 -14.610 -24.920 43 H VAL 6 HN VAL 6 -33.829 -19.655 -26.447 44 HA VAL 6 HA VAL 6 -31.910 -19.859 -24.320 45 HB VAL 6 HB VAL 6 -33.146 -21.837 -24.908 46 HG11 VAL 6 HG11 VAL 6 -31.880 -21.657 -27.639 47 HG12 VAL 6 HG12 VAL 6 -33.565 -21.298 -27.264 48 HG13 VAL 6 HG13 VAL 6 -32.946 -22.937 -27.065 49 HG21 VAL 6 HG21 VAL 6 -31.321 -23.434 -25.227 50 HG22 VAL 6 HG22 VAL 6 -30.873 -22.168 -24.084 51 HG23 VAL 6 HG23 VAL 6 -30.259 -22.122 -25.737 52 H THR 7 HN THR 7 -29.931 -19.087 -24.395 53 HA THR 7 HA THR 7 -28.098 -19.625 -26.462 54 HB THR 7 HB THR 7 -29.215 -17.978 -27.791 55 HG1 THR 7 HG1 THR 7 -26.703 -17.617 -26.881 56 HG21 THR 7 HG21 THR 7 -28.929 -16.082 -25.458 57 HG22 THR 7 HG22 THR 7 -30.432 -16.839 -25.983 58 HG23 THR 7 HG23 THR 7 -29.606 -15.692 -27.039 59 H ALA 8 HN ALA 8 -26.142 -19.606 -25.556 60 HA ALA 8 HA ALA 8 -25.372 -17.582 -23.648 61 HB1 ALA 8 HB1 ALA 8 -26.589 -19.170 -22.226 62 HB2 ALA 8 HB2 ALA 8 -24.873 -19.107 -21.823 63 HB3 ALA 8 HB3 ALA 8 -25.511 -20.460 -22.757 64 H ALA 9 HN ALA 9 -23.439 -17.029 -24.389 65 HA ALA 9 HA ALA 9 -21.781 -18.853 -25.863 66 HB1 ALA 9 HB1 ALA 9 -21.225 -16.042 -24.920 67 HB2 ALA 9 HB2 ALA 9 -21.903 -16.497 -26.482 68 HB3 ALA 9 HB3 ALA 9 -20.250 -16.955 -26.072 69 H LEU 10 HN LEU 10 -21.558 -17.206 -22.725 70 HA LEU 10 HA LEU 10 -20.274 -17.573 -20.885 71 HB2 LEU 10 HB2 LEU 10 -20.213 -20.397 -21.949 72 HB3 LEU 10 HB1 LEU 10 -19.786 -19.915 -20.319 73 HG LEU 10 HG LEU 10 -22.531 -19.680 -21.558 74 HD11 LEU 10 HD11 LEU 10 -23.135 -21.432 -19.949 75 HD12 LEU 10 HD12 LEU 10 -21.442 -21.562 -19.470 76 HD13 LEU 10 HD13 LEU 10 -21.929 -21.986 -21.111 77 HD21 LEU 10 HD21 LEU 10 -22.138 -17.902 -19.956 78 HD22 LEU 10 HD22 LEU 10 -21.561 -19.070 -18.768 79 HD23 LEU 10 HD23 LEU 10 -23.247 -19.095 -19.279 80 H MET 11 HN MET 11 -18.471 -16.369 -21.280 81 HA MET 11 HA MET 11 -16.430 -16.882 -23.078 82 HB2 MET 11 HB2 MET 11 -15.016 -15.453 -21.611 83 HB3 MET 11 HB1 MET 11 -16.590 -14.752 -21.962 84 HG2 MET 11 HG2 MET 11 -17.407 -15.372 -19.787 85 HG3 MET 11 HG1 MET 11 -15.909 -16.231 -19.433 86 HE1 MET 11 HE1 MET 11 -16.244 -12.795 -21.310 87 HE2 MET 11 HE2 MET 11 -16.123 -11.650 -19.975 88 HE3 MET 11 HE3 MET 11 -17.530 -12.703 -20.108 89 H TYR 12 HN TYR 12 -14.703 -18.189 -23.144 90 HA TYR 12 HA TYR 12 -14.520 -20.341 -21.253 91 HB2 TYR 12 HB2 TYR 12 -14.121 -20.653 -23.682 92 HB3 TYR 12 HB1 TYR 12 -12.682 -19.648 -23.556 93 HD1 TYR 12 HD2 TYR 12 -10.680 -20.480 -22.413 94 HD2 TYR 12 HD1 TYR 12 -14.131 -22.926 -22.873 95 HE1 TYR 12 HE2 TYR 12 -9.340 -22.465 -21.853 96 HE2 TYR 12 HE1 TYR 12 -12.801 -24.918 -22.316 97 HH TYR 12 HH TYR 12 -10.434 -25.626 -22.363 98 H ARG 13 HN ARG 13 -12.776 -17.379 -21.901 99 HA ARG 13 HA ARG 13 -11.545 -17.414 -19.331 100 HB2 ARG 13 HB2 ARG 13 -10.055 -18.985 -20.547 101 HB3 ARG 13 HB1 ARG 13 -9.712 -17.719 -21.717 102 HG2 ARG 13 HG2 ARG 13 -8.706 -16.356 -19.969 103 HG3 ARG 13 HG1 ARG 13 -9.074 -17.602 -18.775 104 HD2 ARG 13 HD2 ARG 13 -7.242 -17.871 -21.156 105 HD3 ARG 13 HD1 ARG 13 -6.758 -17.767 -19.464 106 HE ARG 13 HE ARG 13 -8.482 -19.932 -19.693 107 HH11 ARG 13 HH11 ARG 13 -5.349 -18.967 -20.878 108 HH12 ARG 13 HH12 ARG 13 -4.757 -20.589 -21.011 109 HH21 ARG 13 HH21 ARG 13 -7.709 -22.070 -19.865 110 HH22 ARG 13 HH22 ARG 13 -6.099 -22.352 -20.434 111 H GLY 14 HN GLY 14 -11.685 -15.356 -18.746 112 HA2 GLY 14 HA2 GLY 14 -10.733 -13.279 -20.559 113 HA3 GLY 14 HA1 GLY 14 -12.417 -13.177 -20.072 114 H ILE 15 HN ILE 15 -9.670 -14.224 -18.107 115 HA ILE 15 HA ILE 15 -10.149 -11.894 -16.369 116 HB ILE 15 HB ILE 15 -10.852 -13.954 -15.274 117 HG12 ILE 15 HG12 ILE 15 -9.421 -13.808 -13.246 118 HG13 ILE 15 HG11 ILE 15 -8.271 -12.834 -14.156 119 HG21 ILE 15 HG21 ILE 15 -8.017 -14.892 -15.692 120 HG22 ILE 15 HG22 ILE 15 -9.452 -15.525 -16.498 121 HG23 ILE 15 HG23 ILE 15 -9.257 -15.731 -14.758 122 HD11 ILE 15 HD11 ILE 15 -9.698 -11.458 -12.748 123 HD12 ILE 15 HD12 ILE 15 -11.126 -12.088 -13.568 124 HD13 ILE 15 HD13 ILE 15 -9.961 -11.108 -14.456 125 H TYR 16 HN TYR 16 -8.444 -10.684 -15.750 126 HA TYR 16 HA TYR 16 -6.068 -10.738 -17.227 127 HB2 TYR 16 HB2 TYR 16 -6.684 -9.381 -14.597 128 HB3 TYR 16 HB1 TYR 16 -5.247 -9.068 -15.565 129 HD1 TYR 16 HD2 TYR 16 -8.936 -8.788 -15.518 130 HD2 TYR 16 HD1 TYR 16 -5.324 -7.615 -17.433 131 HE1 TYR 16 HE2 TYR 16 -10.172 -7.087 -16.793 132 HE2 TYR 16 HE1 TYR 16 -6.550 -5.909 -18.714 133 HH TYR 16 HH TYR 16 -8.847 -5.468 -19.465 134 H THR 17 HN THR 17 -4.482 -12.166 -17.127 135 HA THR 17 HA THR 17 -3.696 -13.228 -14.493 136 HB THR 17 HB THR 17 -3.602 -14.734 -17.116 137 HG1 THR 17 HG1 THR 17 -5.168 -16.053 -15.682 138 HG21 THR 17 HG21 THR 17 -3.013 -16.662 -15.704 139 HG22 THR 17 HG22 THR 17 -2.970 -15.604 -14.293 140 HG23 THR 17 HG23 THR 17 -1.806 -15.379 -15.599 141 H VAL 18 HN VAL 18 -1.946 -11.948 -14.109 142 HA VAL 18 HA VAL 18 -0.021 -11.371 -16.172 143 HB VAL 18 HB VAL 18 1.262 -10.287 -14.287 144 HG11 VAL 18 HG11 VAL 18 -0.198 -9.008 -15.742 145 HG12 VAL 18 HG12 VAL 18 -0.305 -8.404 -14.088 146 HG13 VAL 18 HG13 VAL 18 -1.592 -9.420 -14.742 147 HG21 VAL 18 HG21 VAL 18 0.433 -11.581 -12.421 148 HG22 VAL 18 HG22 VAL 18 -1.215 -11.040 -12.735 149 HG23 VAL 18 HG23 VAL 18 0.003 -9.887 -12.193 150 HA PRO 19 HA PRO 19 2.209 -15.145 -15.087 151 HB2 PRO 19 HB2 PRO 19 3.623 -15.367 -17.351 152 HB3 PRO 19 HB1 PRO 19 1.901 -15.753 -17.293 153 HG2 PRO 19 HG2 PRO 19 3.265 -13.318 -18.345 154 HG3 PRO 19 HG1 PRO 19 1.852 -14.175 -18.981 155 HD2 PRO 19 HD2 PRO 19 1.765 -11.862 -17.451 156 HD3 PRO 19 HD1 PRO 19 0.417 -12.993 -17.669 157 H ASN 20 HN ASN 20 3.933 -12.515 -16.793 158 HA ASN 20 HA ASN 20 5.948 -12.523 -14.677 159 HB2 ASN 20 HB2 ASN 20 6.450 -13.925 -16.948 160 HB3 ASN 20 HB1 ASN 20 7.065 -12.340 -17.406 161 HD21 ASN 20 HD21 ASN 20 7.434 -15.065 -15.305 162 HD22 ASN 20 HD22 ASN 20 8.993 -14.644 -14.692 163 H LEU 21 HN LEU 21 4.905 -10.510 -14.156 164 HA LEU 21 HA LEU 21 5.622 -8.326 -15.999 165 HB2 LEU 21 HB2 LEU 21 3.229 -8.769 -14.296 166 HB3 LEU 21 HB1 LEU 21 3.778 -7.123 -14.553 167 HG LEU 21 HG LEU 21 3.736 -7.740 -17.065 168 HD11 LEU 21 HD11 LEU 21 2.021 -9.909 -15.890 169 HD12 LEU 21 HD12 LEU 21 3.428 -10.090 -16.937 170 HD13 LEU 21 HD13 LEU 21 1.937 -9.396 -17.575 171 HD21 LEU 21 HD21 LEU 21 2.277 -6.111 -16.082 172 HD22 LEU 21 HD22 LEU 21 1.232 -7.377 -15.440 173 HD23 LEU 21 HD23 LEU 21 1.352 -7.131 -17.182 174 H LEU 22 HN LEU 22 7.322 -9.515 -13.967 175 HA LEU 22 HA LEU 22 7.530 -7.297 -12.048 176 HB2 LEU 22 HB2 LEU 22 8.857 -8.772 -10.652 177 HB3 LEU 22 HB1 LEU 22 7.311 -9.508 -11.025 178 HG LEU 22 HG LEU 22 9.721 -10.201 -12.665 179 HD11 LEU 22 HD11 LEU 22 10.426 -10.483 -10.352 180 HD12 LEU 22 HD12 LEU 22 10.197 -12.047 -11.134 181 HD13 LEU 22 HD13 LEU 22 8.979 -11.434 -10.015 182 HD21 LEU 22 HD21 LEU 22 7.537 -10.956 -13.431 183 HD22 LEU 22 HD22 LEU 22 7.230 -11.702 -11.863 184 HD23 LEU 22 HD23 LEU 22 8.515 -12.324 -12.899 185 H SER 23 HN SER 23 8.632 -7.998 -14.955 186 HA SER 23 HA SER 23 11.406 -7.179 -14.417 187 HB2 SER 23 HB2 SER 23 11.916 -8.025 -16.683 188 HB3 SER 23 HB1 SER 23 11.213 -9.280 -15.662 189 HG SER 23 HG SER 23 9.476 -9.319 -16.880 190 H GLU 24 HN GLU 24 8.493 -6.413 -16.217 191 HA GLU 24 HA GLU 24 9.700 -4.175 -17.583 192 HB2 GLU 24 HB2 GLU 24 6.829 -5.097 -17.388 193 HB3 GLU 24 HB1 GLU 24 7.371 -3.746 -18.374 194 HG2 GLU 24 HG2 GLU 24 8.273 -6.600 -18.684 195 HG3 GLU 24 HG1 GLU 24 7.063 -5.791 -19.680 196 H GLN 25 HN GLN 25 8.035 -4.744 -14.620 197 HA GLN 25 HA GLN 25 7.519 -1.891 -14.224 198 HB2 GLN 25 HB2 GLN 25 6.540 -4.399 -12.942 199 HB3 GLN 25 HB1 GLN 25 6.555 -2.925 -11.982 200 HG2 GLN 25 HG2 GLN 25 4.393 -3.284 -13.032 201 HG3 GLN 25 HG1 GLN 25 5.162 -1.814 -13.628 202 HE21 GLN 25 HE21 GLN 25 4.171 -5.051 -14.399 203 HE22 GLN 25 HE22 GLN 25 4.362 -4.922 -16.111 204 H ARG 26 HN ARG 26 8.041 -0.987 -12.052 205 HA ARG 26 HA ARG 26 10.824 -1.497 -11.468 206 HB2 ARG 26 HB2 ARG 26 8.878 0.520 -10.339 207 HB3 ARG 26 HB1 ARG 26 10.596 0.469 -9.964 208 HG2 ARG 26 HG2 ARG 26 11.050 0.783 -12.403 209 HG3 ARG 26 HG1 ARG 26 9.319 1.048 -12.625 210 HD2 ARG 26 HD2 ARG 26 10.465 3.173 -12.432 211 HD3 ARG 26 HD1 ARG 26 9.424 2.920 -11.031 212 HE ARG 26 HE ARG 26 11.951 1.976 -10.365 213 HH11 ARG 26 HH11 ARG 26 10.448 5.011 -11.195 214 HH12 ARG 26 HH12 ARG 26 11.555 5.959 -10.261 215 HH21 ARG 26 HH21 ARG 26 13.409 3.215 -9.136 216 HH22 ARG 26 HH22 ARG 26 13.240 4.938 -9.090 217 HA PRO 27 HA PRO 27 10.042 -3.925 -7.844 218 HB2 PRO 27 HB2 PRO 27 12.450 -3.864 -6.690 219 HB3 PRO 27 HB1 PRO 27 12.202 -4.658 -8.250 220 HG2 PRO 27 HG2 PRO 27 13.387 -1.983 -7.650 221 HG3 PRO 27 HG1 PRO 27 13.881 -3.185 -8.854 222 HD2 PRO 27 HD2 PRO 27 12.337 -0.938 -9.375 223 HD3 PRO 27 HD1 PRO 27 12.425 -2.378 -10.406 224 H VAL 28 HN VAL 28 9.734 -0.805 -7.728 225 HA VAL 28 HA VAL 28 10.428 -0.203 -4.998 226 HB VAL 28 HB VAL 28 9.166 1.905 -5.384 227 HG11 VAL 28 HG11 VAL 28 11.554 1.797 -5.819 228 HG12 VAL 28 HG12 VAL 28 10.766 2.836 -7.007 229 HG13 VAL 28 HG13 VAL 28 11.251 1.198 -7.449 230 HG21 VAL 28 HG21 VAL 28 7.516 1.130 -6.967 231 HG22 VAL 28 HG22 VAL 28 8.775 0.741 -8.140 232 HG23 VAL 28 HG23 VAL 28 8.466 2.422 -7.702 233 H ASP 29 HN ASP 29 8.862 0.475 -3.388 234 HA ASP 29 HA ASP 29 6.109 0.015 -3.547 235 HB2 ASP 29 HB2 ASP 29 6.828 -2.345 -3.823 236 HB3 ASP 29 HB1 ASP 29 7.625 -2.260 -2.257 237 H ILE 30 HN ILE 30 5.033 0.206 -1.476 238 HA ILE 30 HA ILE 30 6.361 2.007 0.279 239 HB ILE 30 HB ILE 30 3.736 0.575 0.705 240 HG12 ILE 30 HG12 ILE 30 3.738 1.764 -1.437 241 HG13 ILE 30 HG11 ILE 30 2.683 2.567 -0.279 242 HG21 ILE 30 HG21 ILE 30 4.594 1.592 2.728 243 HG22 ILE 30 HG22 ILE 30 3.199 2.494 2.138 244 HG23 ILE 30 HG23 ILE 30 4.827 3.124 1.887 245 HD11 ILE 30 HD11 ILE 30 3.969 4.168 -1.578 246 HD12 ILE 30 HD12 ILE 30 5.470 3.433 -1.015 247 HD13 ILE 30 HD13 ILE 30 4.402 4.244 0.130 248 HA PRO 31 HA PRO 31 8.199 -1.063 2.962 249 HB2 PRO 31 HB2 PRO 31 8.788 0.561 5.068 250 HB3 PRO 31 HB1 PRO 31 9.746 0.516 3.584 251 HG2 PRO 31 HG2 PRO 31 7.625 2.457 4.412 252 HG3 PRO 31 HG1 PRO 31 9.191 2.772 3.641 253 HD2 PRO 31 HD2 PRO 31 6.885 2.750 2.240 254 HD3 PRO 31 HD1 PRO 31 8.419 2.193 1.541 255 H GLU 32 HN GLU 32 7.645 -2.267 4.772 256 HA GLU 32 HA GLU 32 5.085 -2.713 5.439 257 HB2 GLU 32 HB2 GLU 32 6.947 -4.103 6.219 258 HB3 GLU 32 HB1 GLU 32 7.390 -2.863 7.384 259 HG2 GLU 32 HG2 GLU 32 6.198 -4.568 8.537 260 HG3 GLU 32 HG1 GLU 32 5.162 -3.143 8.445 261 H ASP 33 HN ASP 33 7.164 -0.374 7.138 262 HA ASP 33 HA ASP 33 5.584 0.430 9.181 263 HB2 ASP 33 HB2 ASP 33 7.229 2.204 7.375 264 HB3 ASP 33 HB1 ASP 33 6.627 2.672 8.962 265 H GLU 34 HN GLU 34 5.578 2.331 6.153 266 HA GLU 34 HA GLU 34 3.102 3.577 6.798 267 HB2 GLU 34 HB2 GLU 34 3.452 3.818 4.023 268 HB3 GLU 34 HB1 GLU 34 3.860 5.002 5.257 269 HG2 GLU 34 HG2 GLU 34 5.792 2.828 4.632 270 HG3 GLU 34 HG1 GLU 34 5.632 4.190 3.523 271 H LEU 35 HN LEU 35 3.940 0.640 5.207 272 HA LEU 35 HA LEU 35 1.602 0.331 3.650 273 HB2 LEU 35 HB2 LEU 35 3.686 -0.935 3.269 274 HB3 LEU 35 HB1 LEU 35 3.418 -1.803 4.768 275 HG LEU 35 HG LEU 35 1.235 -1.915 2.761 276 HD11 LEU 35 HD11 LEU 35 3.813 -3.442 2.435 277 HD12 LEU 35 HD12 LEU 35 3.222 -2.170 1.365 278 HD13 LEU 35 HD13 LEU 35 2.334 -3.688 1.507 279 HD21 LEU 35 HD21 LEU 35 1.053 -3.058 4.910 280 HD22 LEU 35 HD22 LEU 35 2.531 -3.956 4.564 281 HD23 LEU 35 HD23 LEU 35 1.091 -4.213 3.579 282 H GLU 36 HN GLU 36 2.388 -0.434 6.984 283 HA GLU 36 HA GLU 36 0.222 -2.131 7.544 284 HB2 GLU 36 HB2 GLU 36 2.192 -1.837 9.023 285 HB3 GLU 36 HB1 GLU 36 1.620 -0.226 9.433 286 HG2 GLU 36 HG2 GLU 36 -0.393 -1.185 10.420 287 HG3 GLU 36 HG1 GLU 36 0.164 -2.802 9.994 288 H GLU 37 HN GLU 37 0.431 1.297 7.152 289 HA GLU 37 HA GLU 37 -1.993 1.945 8.524 290 HB2 GLU 37 HB2 GLU 37 -0.451 3.517 6.451 291 HB3 GLU 37 HB1 GLU 37 -1.748 4.151 7.454 292 HG2 GLU 37 HG2 GLU 37 -0.393 3.676 9.455 293 HG3 GLU 37 HG1 GLU 37 0.918 3.134 8.409 294 H ILE 38 HN ILE 38 -1.157 0.903 5.320 295 HA ILE 38 HA ILE 38 -3.486 1.750 3.957 296 HB ILE 38 HB ILE 38 -1.852 -0.702 3.294 297 HG12 ILE 38 HG12 ILE 38 -1.331 2.172 2.494 298 HG13 ILE 38 HG11 ILE 38 -0.378 1.248 3.651 299 HG21 ILE 38 HG21 ILE 38 -2.551 -0.242 1.009 300 HG22 ILE 38 HG22 ILE 38 -3.438 1.182 1.550 301 HG23 ILE 38 HG23 ILE 38 -3.955 -0.424 2.060 302 HD11 ILE 38 HD11 ILE 38 -0.687 0.643 0.721 303 HD12 ILE 38 HD12 ILE 38 0.242 -0.314 1.873 304 HD13 ILE 38 HD13 ILE 38 0.729 1.341 1.505 305 H ARG 39 HN ARG 39 -2.596 -1.390 5.359 306 HA ARG 39 HA ARG 39 -5.052 -2.665 4.833 307 HB2 ARG 39 HB2 ARG 39 -2.940 -3.254 6.912 308 HB3 ARG 39 HB1 ARG 39 -4.281 -4.324 6.525 309 HG2 ARG 39 HG2 ARG 39 -3.286 -5.097 4.683 310 HG3 ARG 39 HG1 ARG 39 -2.729 -3.495 4.198 311 HD2 ARG 39 HD2 ARG 39 -0.842 -4.960 4.654 312 HD3 ARG 39 HD1 ARG 39 -0.905 -3.641 5.820 313 HE ARG 39 HE ARG 39 -2.233 -5.599 7.097 314 HH11 ARG 39 HH11 ARG 39 0.843 -5.542 5.457 315 HH12 ARG 39 HH12 ARG 39 1.555 -6.744 6.480 316 HH21 ARG 39 HH21 ARG 39 -1.303 -7.181 8.447 317 HH22 ARG 39 HH22 ARG 39 0.336 -7.675 8.181 318 H GLU 40 HN GLU 40 -3.792 -1.706 8.028 319 HA GLU 40 HA GLU 40 -5.928 -2.085 9.608 320 HB2 GLU 40 HB2 GLU 40 -3.718 -1.111 10.275 321 HB3 GLU 40 HB1 GLU 40 -4.290 0.451 9.704 322 HG2 GLU 40 HG2 GLU 40 -4.623 0.493 12.011 323 HG3 GLU 40 HG1 GLU 40 -6.217 0.163 11.333 324 H ALA 41 HN ALA 41 -5.656 0.464 7.220 325 HA ALA 41 HA ALA 41 -7.810 2.054 8.133 326 HB1 ALA 41 HB1 ALA 41 -7.672 3.167 5.987 327 HB2 ALA 41 HB2 ALA 41 -6.672 1.860 5.353 328 HB3 ALA 41 HB3 ALA 41 -6.058 2.892 6.644 329 H PHE 42 HN PHE 42 -7.894 0.540 4.927 330 HA PHE 42 HA PHE 42 -10.742 0.359 5.071 331 HB2 PHE 42 HB2 PHE 42 -8.683 -0.211 2.994 332 HB3 PHE 42 HB1 PHE 42 -10.306 -0.861 2.786 333 HD1 PHE 42 HD1 PHE 42 -8.474 2.310 3.417 334 HD2 PHE 42 HD2 PHE 42 -12.000 0.462 1.913 335 HE1 PHE 42 HE1 PHE 42 -9.240 4.484 2.552 336 HE2 PHE 42 HE2 PHE 42 -12.771 2.630 1.044 337 HZ PHE 42 HZ PHE 42 -11.395 4.645 1.364 338 H LYS 43 HN LYS 43 -8.210 -1.819 5.843 339 HA LYS 43 HA LYS 43 -9.580 -4.239 5.317 340 HB2 LYS 43 HB2 LYS 43 -7.038 -3.709 5.965 341 HB3 LYS 43 HB1 LYS 43 -7.633 -4.153 7.560 342 HG2 LYS 43 HG2 LYS 43 -6.661 -6.066 6.439 343 HG3 LYS 43 HG1 LYS 43 -8.392 -6.301 6.677 344 HD2 LYS 43 HD2 LYS 43 -7.640 -7.023 4.440 345 HD3 LYS 43 HD1 LYS 43 -8.825 -5.718 4.365 346 HE2 LYS 43 HE2 LYS 43 -7.043 -4.097 4.000 347 HE3 LYS 43 HE1 LYS 43 -5.834 -5.376 4.135 348 HZ1 LYS 43 HZ1 LYS 43 -7.947 -5.230 2.052 349 HZ2 LYS 43 HZ2 LYS 43 -6.744 -6.414 2.167 350 HZ3 LYS 43 HZ3 LYS 43 -6.324 -4.812 1.828 351 H VAL 44 HN VAL 44 -9.438 -2.122 8.177 352 HA VAL 44 HA VAL 44 -10.895 -3.926 9.832 353 HB VAL 44 HB VAL 44 -11.241 -2.055 11.363 354 HG11 VAL 44 HG11 VAL 44 -8.855 -1.517 11.773 355 HG12 VAL 44 HG12 VAL 44 -8.461 -2.267 10.225 356 HG13 VAL 44 HG13 VAL 44 -9.163 -3.236 11.522 357 HG21 VAL 44 HG21 VAL 44 -11.620 -0.310 9.664 358 HG22 VAL 44 HG22 VAL 44 -9.901 -0.345 9.277 359 HG23 VAL 44 HG23 VAL 44 -10.433 0.168 10.876 360 H PHE 45 HN PHE 45 -11.839 -1.333 7.618 361 HA PHE 45 HA PHE 45 -14.530 -1.138 8.432 362 HB2 PHE 45 HB2 PHE 45 -13.281 -0.666 5.714 363 HB3 PHE 45 HB1 PHE 45 -14.959 -0.305 6.093 364 HD1 PHE 45 HD2 PHE 45 -15.010 0.977 8.590 365 HD2 PHE 45 HD1 PHE 45 -12.021 1.245 5.576 366 HE1 PHE 45 HE2 PHE 45 -14.355 3.190 9.442 367 HE2 PHE 45 HE1 PHE 45 -11.358 3.457 6.423 368 HZ PHE 45 HZ PHE 45 -12.527 4.434 8.357 369 H ASP 46 HN ASP 46 -12.841 -3.630 6.857 370 HA ASP 46 HA ASP 46 -15.112 -4.834 5.565 371 HB2 ASP 46 HB2 ASP 46 -12.736 -5.140 4.803 372 HB3 ASP 46 HB1 ASP 46 -12.448 -6.099 6.252 373 H ARG 47 HN ARG 47 -16.658 -5.073 7.153 374 HA ARG 47 HA ARG 47 -16.321 -6.040 9.726 375 HB2 ARG 47 HB2 ARG 47 -18.760 -6.450 7.995 376 HB3 ARG 47 HB1 ARG 47 -18.703 -6.405 9.753 377 HG2 ARG 47 HG2 ARG 47 -17.990 -4.053 9.651 378 HG3 ARG 47 HG1 ARG 47 -18.118 -4.109 7.892 379 HD2 ARG 47 HD2 ARG 47 -20.509 -4.682 8.125 380 HD3 ARG 47 HD1 ARG 47 -20.353 -4.512 9.872 381 HE ARG 47 HE ARG 47 -19.534 -2.193 8.373 382 HH11 ARG 47 HH11 ARG 47 -22.186 -3.832 9.930 383 HH12 ARG 47 HH12 ARG 47 -23.120 -2.389 10.145 384 HH21 ARG 47 HH21 ARG 47 -20.757 -0.289 8.652 385 HH22 ARG 47 HH22 ARG 47 -22.307 -0.376 9.423 386 H ASP 48 HN ASP 48 -16.757 -7.855 6.724 387 HA ASP 48 HA ASP 48 -17.068 -10.366 8.059 388 HB2 ASP 48 HB2 ASP 48 -16.342 -9.810 5.176 389 HB3 ASP 48 HB1 ASP 48 -16.897 -11.350 5.825 390 H GLY 49 HN GLY 49 -14.374 -8.441 7.162 391 HA2 GLY 49 HA2 GLY 49 -12.114 -8.747 7.400 392 HA3 GLY 49 HA1 GLY 49 -12.517 -10.034 8.525 393 H ASN 50 HN ASN 50 -13.850 -10.529 5.449 394 HA ASN 50 HA ASN 50 -12.285 -12.848 4.994 395 HB2 ASN 50 HB2 ASN 50 -13.462 -12.942 2.802 396 HB3 ASN 50 HB1 ASN 50 -14.556 -12.760 4.168 397 HD21 ASN 50 HD21 ASN 50 -14.965 -12.115 1.367 398 HD22 ASN 50 HD22 ASN 50 -15.354 -10.433 1.308 399 H GLY 51 HN GLY 51 -11.486 -9.666 4.600 400 HA2 GLY 51 HA2 GLY 51 -9.362 -8.969 3.823 401 HA3 GLY 51 HA1 GLY 51 -9.306 -10.383 2.779 402 H PHE 52 HN PHE 52 -12.193 -9.688 2.021 403 HA PHE 52 HA PHE 52 -11.491 -7.618 0.043 404 HB2 PHE 52 HB2 PHE 52 -13.752 -9.535 -0.382 405 HB3 PHE 52 HB1 PHE 52 -12.744 -8.719 -1.571 406 HD1 PHE 52 HD2 PHE 52 -10.541 -9.596 -2.146 407 HD2 PHE 52 HD1 PHE 52 -13.078 -11.604 0.617 408 HE1 PHE 52 HE2 PHE 52 -9.164 -11.624 -2.359 409 HE2 PHE 52 HE1 PHE 52 -11.707 -13.633 0.413 410 HZ PHE 52 HZ PHE 52 -9.745 -13.648 -1.078 411 H ILE 53 HN ILE 53 -12.656 -5.788 0.034 412 HA ILE 53 HA ILE 53 -14.867 -5.556 1.922 413 HB ILE 53 HB ILE 53 -13.478 -3.417 0.304 414 HG12 ILE 53 HG12 ILE 53 -13.204 -3.713 3.266 415 HG13 ILE 53 HG11 ILE 53 -12.263 -4.776 2.223 416 HG21 ILE 53 HG21 ILE 53 -14.571 -1.857 1.868 417 HG22 ILE 53 HG22 ILE 53 -15.458 -3.210 2.569 418 HG23 ILE 53 HG23 ILE 53 -15.730 -2.754 0.887 419 HD11 ILE 53 HD11 ILE 53 -11.335 -2.781 1.106 420 HD12 ILE 53 HD12 ILE 53 -10.945 -2.869 2.823 421 HD13 ILE 53 HD13 ILE 53 -12.205 -1.771 2.261 422 H SER 54 HN SER 54 -16.940 -5.263 1.382 423 HA SER 54 HA SER 54 -17.657 -5.465 -1.441 424 HB2 SER 54 HB2 SER 54 -19.359 -5.639 1.059 425 HB3 SER 54 HB1 SER 54 -19.961 -5.854 -0.584 426 HG SER 54 HG SER 54 -18.406 -7.544 0.984 427 H LYS 55 HN LYS 55 -19.821 -4.154 -1.957 428 HA LYS 55 HA LYS 55 -19.089 -1.433 -1.923 429 HB2 LYS 55 HB2 LYS 55 -21.781 -2.654 -2.557 430 HB3 LYS 55 HB1 LYS 55 -21.268 -1.024 -2.970 431 HG2 LYS 55 HG2 LYS 55 -20.864 -2.043 -4.953 432 HG3 LYS 55 HG1 LYS 55 -19.310 -2.338 -4.172 433 HD2 LYS 55 HD2 LYS 55 -19.953 -4.407 -5.103 434 HD3 LYS 55 HD1 LYS 55 -20.295 -4.541 -3.378 435 HE2 LYS 55 HE2 LYS 55 -22.165 -5.450 -4.520 436 HE3 LYS 55 HE1 LYS 55 -22.659 -3.875 -3.900 437 HZ1 LYS 55 HZ1 LYS 55 -21.827 -4.465 -6.691 438 HZ2 LYS 55 HZ2 LYS 55 -22.258 -2.939 -6.103 439 HZ3 LYS 55 HZ3 LYS 55 -23.409 -4.177 -6.164 440 H GLN 56 HN GLN 56 -21.673 -3.184 -0.211 441 HA GLN 56 HA GLN 56 -22.740 -1.018 1.180 442 HB2 GLN 56 HB2 GLN 56 -23.599 -3.445 0.976 443 HB3 GLN 56 HB1 GLN 56 -22.573 -3.777 2.365 444 HG2 GLN 56 HG2 GLN 56 -24.584 -3.355 3.372 445 HG3 GLN 56 HG1 GLN 56 -23.823 -1.768 3.435 446 HE21 GLN 56 HE21 GLN 56 -24.248 -1.338 0.545 447 HE22 GLN 56 HE22 GLN 56 -25.924 -0.959 0.377 448 H GLU 57 HN GLU 57 -20.006 -3.111 1.961 449 HA GLU 57 HA GLU 57 -19.590 -2.067 4.581 450 HB2 GLU 57 HB2 GLU 57 -17.718 -3.540 2.718 451 HB3 GLU 57 HB1 GLU 57 -17.371 -3.185 4.405 452 HG2 GLU 57 HG2 GLU 57 -19.178 -4.576 5.133 453 HG3 GLU 57 HG1 GLU 57 -19.717 -4.820 3.473 454 H LEU 58 HN LEU 58 -18.164 -1.413 1.413 455 HA LEU 58 HA LEU 58 -16.249 0.463 2.225 456 HB2 LEU 58 HB2 LEU 58 -16.799 -0.710 -0.102 457 HB3 LEU 58 HB1 LEU 58 -17.660 0.787 -0.388 458 HG LEU 58 HG LEU 58 -15.365 0.756 -1.328 459 HD11 LEU 58 HD11 LEU 58 -16.551 2.853 -0.651 460 HD12 LEU 58 HD12 LEU 58 -14.792 2.964 -0.693 461 HD13 LEU 58 HD13 LEU 58 -15.627 2.809 0.852 462 HD21 LEU 58 HD21 LEU 58 -14.512 0.711 1.562 463 HD22 LEU 58 HD22 LEU 58 -13.453 0.947 0.173 464 HD23 LEU 58 HD23 LEU 58 -14.287 -0.590 0.393 465 H GLY 59 HN GLY 59 -19.681 0.664 1.833 466 HA2 GLY 59 HA2 GLY 59 -19.920 3.483 1.564 467 HA3 GLY 59 HA1 GLY 59 -21.188 2.382 2.085 468 H THR 60 HN THR 60 -19.160 1.454 4.198 469 HA THR 60 HA THR 60 -20.017 3.345 6.228 470 HB THR 60 HB THR 60 -18.420 0.794 6.550 471 HG1 THR 60 HG1 THR 60 -20.371 0.119 5.841 472 HG21 THR 60 HG21 THR 60 -19.949 2.465 8.549 473 HG22 THR 60 HG22 THR 60 -18.197 2.296 8.453 474 HG23 THR 60 HG23 THR 60 -19.194 0.906 8.886 475 H ALA 61 HN ALA 61 -17.200 2.495 4.424 476 HA ALA 61 HA ALA 61 -15.262 3.647 6.170 477 HB1 ALA 61 HB1 ALA 61 -13.729 3.440 4.282 478 HB2 ALA 61 HB2 ALA 61 -15.084 3.087 3.210 479 HB3 ALA 61 HB3 ALA 61 -14.665 1.961 4.502 480 H MET 62 HN MET 62 -16.907 4.785 3.235 481 HA MET 62 HA MET 62 -15.643 7.279 3.059 482 HB2 MET 62 HB2 MET 62 -18.381 6.406 2.132 483 HB3 MET 62 HB1 MET 62 -17.630 7.932 1.688 484 HG2 MET 62 HG2 MET 62 -16.510 5.206 1.078 485 HG3 MET 62 HG1 MET 62 -17.411 6.216 -0.052 486 HE1 MET 62 HE1 MET 62 -16.347 9.126 0.595 487 HE2 MET 62 HE2 MET 62 -16.543 8.486 -1.037 488 HE3 MET 62 HE3 MET 62 -15.026 9.253 -0.566 489 H ARG 63 HN ARG 63 -18.754 6.401 4.567 490 HA ARG 63 HA ARG 63 -19.477 8.956 5.420 491 HB2 ARG 63 HB2 ARG 63 -20.946 7.847 7.030 492 HB3 ARG 63 HB1 ARG 63 -21.023 7.058 5.460 493 HG2 ARG 63 HG2 ARG 63 -19.698 5.237 6.221 494 HG3 ARG 63 HG1 ARG 63 -19.316 6.069 7.728 495 HD2 ARG 63 HD2 ARG 63 -21.025 4.342 8.050 496 HD3 ARG 63 HD1 ARG 63 -21.644 5.953 8.408 497 HE ARG 63 HE ARG 63 -22.246 5.409 5.751 498 HH11 ARG 63 HH11 ARG 63 -23.051 4.165 8.905 499 HH12 ARG 63 HH12 ARG 63 -24.625 3.621 8.430 500 HH21 ARG 63 HH21 ARG 63 -24.316 4.696 5.117 501 HH22 ARG 63 HH22 ARG 63 -25.345 3.925 6.277 502 H SER 64 HN SER 64 -17.210 6.677 6.764 503 HA SER 64 HA SER 64 -16.967 7.671 9.357 504 HB2 SER 64 HB2 SER 64 -15.901 5.579 8.613 505 HB3 SER 64 HB1 SER 64 -14.786 6.505 7.608 506 HG SER 64 HG SER 64 -13.879 5.938 9.640 507 H LEU 65 HN LEU 65 -15.532 8.769 6.338 508 HA LEU 65 HA LEU 65 -13.851 10.729 7.574 509 HB2 LEU 65 HB2 LEU 65 -14.728 10.727 4.697 510 HB3 LEU 65 HB1 LEU 65 -13.253 11.384 5.378 511 HG LEU 65 HG LEU 65 -13.927 8.449 5.134 512 HD11 LEU 65 HD11 LEU 65 -12.199 8.377 3.456 513 HD12 LEU 65 HD12 LEU 65 -11.866 10.096 3.676 514 HD13 LEU 65 HD13 LEU 65 -13.411 9.576 3.000 515 HD21 LEU 65 HD21 LEU 65 -11.437 9.814 6.153 516 HD22 LEU 65 HD22 LEU 65 -11.613 8.082 5.868 517 HD23 LEU 65 HD23 LEU 65 -12.582 8.874 7.111 518 H GLY 66 HN GLY 66 -17.154 10.578 6.771 519 HA2 GLY 66 HA2 GLY 66 -18.518 12.371 7.776 520 HA3 GLY 66 HA1 GLY 66 -17.373 13.508 7.080 521 H TYR 67 HN TYR 67 -17.981 10.911 5.018 522 HA TYR 67 HA TYR 67 -20.027 12.451 3.556 523 HB2 TYR 67 HB2 TYR 67 -17.883 10.752 2.271 524 HB3 TYR 67 HB1 TYR 67 -18.996 11.861 1.475 525 HD1 TYR 67 HD2 TYR 67 -18.661 14.288 1.638 526 HD2 TYR 67 HD1 TYR 67 -15.892 11.554 3.357 527 HE1 TYR 67 HE2 TYR 67 -17.004 16.095 1.828 528 HE2 TYR 67 HE1 TYR 67 -14.227 13.353 3.552 529 HH TYR 67 HH TYR 67 -14.996 16.614 3.208 530 H MET 68 HN MET 68 -21.784 11.263 4.242 531 HA MET 68 HA MET 68 -21.768 8.394 4.233 532 HB2 MET 68 HB2 MET 68 -24.207 8.660 4.758 533 HB3 MET 68 HB1 MET 68 -23.116 9.457 5.882 534 HG2 MET 68 HG2 MET 68 -23.543 11.595 4.795 535 HG3 MET 68 HG1 MET 68 -24.621 10.802 3.649 536 HE1 MET 68 HE1 MET 68 -26.932 9.700 4.306 537 HE2 MET 68 HE2 MET 68 -27.554 9.628 5.955 538 HE3 MET 68 HE3 MET 68 -26.125 8.695 5.510 539 HA PRO 69 HA PRO 69 -23.086 8.316 -0.092 540 HB2 PRO 69 HB2 PRO 69 -22.065 5.940 -0.716 541 HB3 PRO 69 HB1 PRO 69 -21.008 7.330 -0.439 542 HG2 PRO 69 HG2 PRO 69 -21.594 5.010 1.334 543 HG3 PRO 69 HG1 PRO 69 -20.082 5.907 1.121 544 HD2 PRO 69 HD2 PRO 69 -21.960 6.261 3.189 545 HD3 PRO 69 HD1 PRO 69 -20.616 7.345 2.791 546 H ASN 70 HN ASN 70 -24.851 7.429 -1.088 547 HA ASN 70 HA ASN 70 -26.584 5.775 0.543 548 HB2 ASN 70 HB2 ASN 70 -28.089 6.121 -1.589 549 HB3 ASN 70 HB1 ASN 70 -27.857 7.431 -0.434 550 HD21 ASN 70 HD21 ASN 70 -26.788 6.115 -3.494 551 HD22 ASN 70 HD22 ASN 70 -26.204 7.603 -4.142 552 H GLU 71 HN GLU 71 -27.953 4.147 -0.942 553 HA GLU 71 HA GLU 71 -26.258 1.985 -1.460 554 HB2 GLU 71 HB2 GLU 71 -28.224 0.875 -2.393 555 HB3 GLU 71 HB1 GLU 71 -28.633 1.728 -0.910 556 HG2 GLU 71 HG2 GLU 71 -29.570 3.562 -2.229 557 HG3 GLU 71 HG1 GLU 71 -29.171 2.694 -3.710 558 H VAL 72 HN VAL 72 -27.087 4.661 -3.436 559 HA VAL 72 HA VAL 72 -26.408 3.303 -5.919 560 HB VAL 72 HB VAL 72 -27.084 6.213 -5.488 561 HG11 VAL 72 HG11 VAL 72 -25.902 5.817 -7.566 562 HG12 VAL 72 HG12 VAL 72 -27.595 6.183 -7.895 563 HG13 VAL 72 HG13 VAL 72 -27.021 4.518 -7.981 564 HG21 VAL 72 HG21 VAL 72 -28.917 4.779 -4.754 565 HG22 VAL 72 HG22 VAL 72 -28.879 3.928 -6.298 566 HG23 VAL 72 HG23 VAL 72 -29.337 5.630 -6.241 567 H GLU 73 HN GLU 73 -24.990 5.540 -3.637 568 HA GLU 73 HA GLU 73 -22.864 6.402 -5.331 569 HB2 GLU 73 HB2 GLU 73 -23.296 6.542 -2.353 570 HB3 GLU 73 HB1 GLU 73 -21.841 7.158 -3.122 571 HG2 GLU 73 HG2 GLU 73 -24.657 8.081 -3.642 572 HG3 GLU 73 HG1 GLU 73 -23.425 8.942 -2.723 573 H LEU 74 HN LEU 74 -22.966 4.121 -2.586 574 HA LEU 74 HA LEU 74 -20.310 3.336 -2.633 575 HB2 LEU 74 HB2 LEU 74 -21.175 1.172 -1.627 576 HB3 LEU 74 HB1 LEU 74 -21.574 2.657 -0.788 577 HG LEU 74 HG LEU 74 -23.812 2.529 -2.096 578 HD11 LEU 74 HD11 LEU 74 -22.892 -0.333 -2.270 579 HD12 LEU 74 HD12 LEU 74 -23.180 0.756 -3.625 580 HD13 LEU 74 HD13 LEU 74 -24.524 0.244 -2.605 581 HD21 LEU 74 HD21 LEU 74 -23.188 0.565 0.102 582 HD22 LEU 74 HD22 LEU 74 -24.789 1.156 -0.339 583 HD23 LEU 74 HD23 LEU 74 -23.589 2.268 0.324 584 H GLU 75 HN GLU 75 -22.716 2.704 -4.963 585 HA GLU 75 HA GLU 75 -21.529 0.282 -5.984 586 HB2 GLU 75 HB2 GLU 75 -23.715 2.075 -7.039 587 HB3 GLU 75 HB1 GLU 75 -23.177 0.615 -7.858 588 HG2 GLU 75 HG2 GLU 75 -24.290 0.695 -5.064 589 HG3 GLU 75 HG1 GLU 75 -25.221 0.306 -6.509 590 H VAL 76 HN VAL 76 -21.388 3.716 -6.739 591 HA VAL 76 HA VAL 76 -19.927 3.215 -9.200 592 HB VAL 76 HB VAL 76 -19.906 5.640 -9.499 593 HG11 VAL 76 HG11 VAL 76 -21.831 4.375 -10.287 594 HG12 VAL 76 HG12 VAL 76 -22.321 5.975 -9.730 595 HG13 VAL 76 HG13 VAL 76 -22.612 4.561 -8.718 596 HG21 VAL 76 HG21 VAL 76 -21.362 5.757 -6.859 597 HG22 VAL 76 HG22 VAL 76 -21.030 7.118 -7.929 598 HG23 VAL 76 HG23 VAL 76 -19.699 6.276 -7.136 599 H ILE 77 HN ILE 77 -19.231 3.949 -5.906 600 HA ILE 77 HA ILE 77 -16.603 5.018 -6.416 601 HB ILE 77 HB ILE 77 -17.816 4.071 -3.816 602 HG12 ILE 77 HG12 ILE 77 -17.492 6.953 -4.371 603 HG13 ILE 77 HG11 ILE 77 -18.712 6.136 -5.342 604 HG21 ILE 77 HG21 ILE 77 -15.390 4.159 -3.717 605 HG22 ILE 77 HG22 ILE 77 -16.088 5.473 -2.769 606 HG23 ILE 77 HG23 ILE 77 -15.405 5.801 -4.362 607 HD11 ILE 77 HD11 ILE 77 -19.760 5.321 -3.269 608 HD12 ILE 77 HD12 ILE 77 -19.731 7.080 -3.391 609 HD13 ILE 77 HD13 ILE 77 -18.582 6.250 -2.341 610 H ILE 78 HN ILE 78 -17.992 1.895 -5.906 611 HA ILE 78 HA ILE 78 -15.550 0.619 -5.093 612 HB ILE 78 HB ILE 78 -18.315 -0.318 -5.704 613 HG12 ILE 78 HG12 ILE 78 -17.628 0.482 -3.447 614 HG13 ILE 78 HG11 ILE 78 -18.196 -1.184 -3.454 615 HG21 ILE 78 HG21 ILE 78 -15.905 -2.122 -5.533 616 HG22 ILE 78 HG22 ILE 78 -17.023 -1.957 -6.887 617 HG23 ILE 78 HG23 ILE 78 -17.574 -2.671 -5.372 618 HD11 ILE 78 HD11 ILE 78 -15.891 -1.973 -3.393 619 HD12 ILE 78 HD12 ILE 78 -16.250 -0.916 -2.030 620 HD13 ILE 78 HD13 ILE 78 -15.319 -0.305 -3.397 621 H GLN 79 HN GLN 79 -17.273 1.030 -8.159 622 HA GLN 79 HA GLN 79 -15.879 -0.935 -9.608 623 HB2 GLN 79 HB2 GLN 79 -16.655 0.232 -11.608 624 HB3 GLN 79 HB1 GLN 79 -17.947 0.090 -10.424 625 HG2 GLN 79 HG2 GLN 79 -17.598 2.400 -9.748 626 HG3 GLN 79 HG1 GLN 79 -16.282 2.549 -10.911 627 HE21 GLN 79 HE21 GLN 79 -18.781 4.041 -10.704 628 HE22 GLN 79 HE22 GLN 79 -19.586 3.838 -12.220 629 H ARG 80 HN ARG 80 -14.994 2.292 -8.641 630 HA ARG 80 HA ARG 80 -13.000 2.841 -10.518 631 HB2 ARG 80 HB2 ARG 80 -13.006 3.649 -7.607 632 HB3 ARG 80 HB1 ARG 80 -12.145 4.445 -8.916 633 HG2 ARG 80 HG2 ARG 80 -15.142 4.226 -8.787 634 HG3 ARG 80 HG1 ARG 80 -14.227 5.595 -8.153 635 HD2 ARG 80 HD2 ARG 80 -14.926 6.243 -10.306 636 HD3 ARG 80 HD1 ARG 80 -13.223 5.816 -10.470 637 HE ARG 80 HE ARG 80 -14.632 3.526 -11.063 638 HH11 ARG 80 HH11 ARG 80 -14.459 6.777 -12.314 639 HH12 ARG 80 HH12 ARG 80 -14.855 6.310 -13.933 640 HH21 ARG 80 HH21 ARG 80 -15.154 2.907 -13.192 641 HH22 ARG 80 HH22 ARG 80 -15.252 4.111 -14.433 642 H LEU 81 HN LEU 81 -12.883 0.999 -7.509 643 HA LEU 81 HA LEU 81 -10.025 0.532 -7.823 644 HB2 LEU 81 HB2 LEU 81 -11.939 -0.431 -5.695 645 HB3 LEU 81 HB1 LEU 81 -10.203 -0.662 -5.677 646 HG LEU 81 HG LEU 81 -10.647 1.112 -4.185 647 HD11 LEU 81 HD11 LEU 81 -8.737 1.498 -5.665 648 HD12 LEU 81 HD12 LEU 81 -9.500 3.009 -5.171 649 HD13 LEU 81 HD13 LEU 81 -9.785 2.363 -6.787 650 HD21 LEU 81 HD21 LEU 81 -11.985 3.049 -4.705 651 HD22 LEU 81 HD22 LEU 81 -12.935 1.589 -4.980 652 HD23 LEU 81 HD23 LEU 81 -12.250 2.468 -6.347 653 H ASP 82 HN ASP 82 -13.040 -1.336 -7.745 654 HA ASP 82 HA ASP 82 -11.817 -3.849 -8.221 655 HB2 ASP 82 HB2 ASP 82 -14.094 -3.487 -7.226 656 HB3 ASP 82 HB1 ASP 82 -14.668 -3.048 -8.832 657 H MET 83 HN MET 83 -10.385 -3.401 -9.968 658 HA MET 83 HA MET 83 -11.471 -2.678 -12.545 659 HB2 MET 83 HB2 MET 83 -9.109 -3.006 -13.316 660 HB3 MET 83 HB1 MET 83 -9.303 -1.823 -12.030 661 HG2 MET 83 HG2 MET 83 -8.637 -3.591 -10.405 662 HG3 MET 83 HG1 MET 83 -8.280 -4.638 -11.777 663 HE1 MET 83 HE1 MET 83 -7.309 -1.362 -9.847 664 HE2 MET 83 HE2 MET 83 -7.723 -0.750 -11.448 665 HE3 MET 83 HE3 MET 83 -6.052 -0.693 -10.888 666 H ASP 84 HN ASP 84 -10.057 -5.590 -11.081 667 HA ASP 84 HA ASP 84 -10.212 -7.157 -13.437 668 HB2 ASP 84 HB2 ASP 84 -10.041 -9.085 -11.707 669 HB3 ASP 84 HB1 ASP 84 -8.688 -7.973 -11.887 670 H GLY 85 HN GLY 85 -12.567 -6.241 -11.106 671 HA2 GLY 85 HA2 GLY 85 -14.867 -6.536 -11.266 672 HA3 GLY 85 HA1 GLY 85 -14.605 -7.649 -12.597 673 H ASP 86 HN ASP 86 -13.745 -7.555 -9.133 674 HA ASP 86 HA ASP 86 -14.656 -10.347 -8.942 675 HB2 ASP 86 HB2 ASP 86 -12.680 -8.790 -7.270 676 HB3 ASP 86 HB1 ASP 86 -13.279 -10.385 -6.823 677 H GLY 87 HN GLY 87 -15.888 -7.412 -8.470 678 HA2 GLY 87 HA2 GLY 87 -17.819 -6.802 -7.342 679 HA3 GLY 87 HA1 GLY 87 -17.786 -8.350 -6.511 680 H GLN 88 HN GLN 88 -14.984 -7.894 -5.638 681 HA GLN 88 HA GLN 88 -15.408 -5.757 -3.663 682 HB2 GLN 88 HB2 GLN 88 -14.318 -8.522 -3.108 683 HB3 GLN 88 HB1 GLN 88 -14.363 -7.202 -1.946 684 HG2 GLN 88 HG2 GLN 88 -16.774 -7.190 -1.993 685 HG3 GLN 88 HG1 GLN 88 -16.783 -8.424 -3.252 686 HE21 GLN 88 HE21 GLN 88 -16.263 -7.762 0.116 687 HE22 GLN 88 HE22 GLN 88 -16.253 -9.406 0.648 688 H VAL 89 HN VAL 89 -13.518 -4.744 -2.883 689 HA VAL 89 HA VAL 89 -11.364 -4.714 -4.805 690 HB VAL 89 HB VAL 89 -11.514 -3.154 -2.229 691 HG11 VAL 89 HG11 VAL 89 -10.058 -1.585 -3.395 692 HG12 VAL 89 HG12 VAL 89 -10.076 -2.618 -4.824 693 HG13 VAL 89 HG13 VAL 89 -9.333 -3.191 -3.331 694 HG21 VAL 89 HG21 VAL 89 -13.561 -2.759 -3.473 695 HG22 VAL 89 HG22 VAL 89 -12.631 -2.427 -4.935 696 HG23 VAL 89 HG23 VAL 89 -12.518 -1.340 -3.552 697 H ASP 90 HN ASP 90 -9.619 -5.937 -4.689 698 HA ASP 90 HA ASP 90 -8.988 -7.401 -2.277 699 HB2 ASP 90 HB2 ASP 90 -8.836 -8.498 -4.474 700 HB3 ASP 90 HB1 ASP 90 -7.593 -7.351 -4.964 701 H PHE 91 HN PHE 91 -6.844 -7.417 -1.325 702 HA PHE 91 HA PHE 91 -5.942 -4.997 -0.444 703 HB2 PHE 91 HB2 PHE 91 -5.268 -7.025 0.654 704 HB3 PHE 91 HB1 PHE 91 -4.395 -7.569 -0.774 705 HD1 PHE 91 HD2 PHE 91 -4.462 -4.552 1.430 706 HD2 PHE 91 HD1 PHE 91 -2.116 -7.424 -0.658 707 HE1 PHE 91 HE2 PHE 91 -2.412 -3.491 2.281 708 HE2 PHE 91 HE1 PHE 91 -0.062 -6.368 0.191 709 HZ PHE 91 HZ PHE 91 -0.208 -4.399 1.662 710 H GLU 92 HN GLU 92 -4.267 -6.920 -2.945 711 HA GLU 92 HA GLU 92 -2.318 -5.115 -3.638 712 HB2 GLU 92 HB2 GLU 92 -3.796 -7.003 -5.475 713 HB3 GLU 92 HB1 GLU 92 -2.261 -6.230 -5.844 714 HG2 GLU 92 HG2 GLU 92 -1.248 -7.381 -3.920 715 HG3 GLU 92 HG1 GLU 92 -2.784 -8.194 -3.623 716 H GLU 93 HN GLU 93 -5.470 -5.454 -5.279 717 HA GLU 93 HA GLU 93 -5.302 -3.460 -7.121 718 HB2 GLU 93 HB2 GLU 93 -7.671 -4.292 -5.450 719 HB3 GLU 93 HB1 GLU 93 -7.798 -3.188 -6.813 720 HG2 GLU 93 HG2 GLU 93 -7.095 -4.872 -8.342 721 HG3 GLU 93 HG1 GLU 93 -6.674 -5.969 -7.027 722 H PHE 94 HN PHE 94 -5.953 -3.048 -3.670 723 HA PHE 94 HA PHE 94 -6.338 -0.184 -4.027 724 HB2 PHE 94 HB2 PHE 94 -7.815 -1.383 -2.482 725 HB3 PHE 94 HB1 PHE 94 -6.423 -1.862 -1.515 726 HD1 PHE 94 HD2 PHE 94 -8.258 1.122 -2.750 727 HD2 PHE 94 HD1 PHE 94 -5.679 -0.504 0.220 728 HE1 PHE 94 HE2 PHE 94 -8.468 3.194 -1.439 729 HE2 PHE 94 HE1 PHE 94 -5.887 1.565 1.537 730 HZ PHE 94 HZ PHE 94 -7.282 3.417 0.707 731 H VAL 95 HN VAL 95 -3.817 -2.366 -3.081 732 HA VAL 95 HA VAL 95 -2.315 -0.438 -1.584 733 HB VAL 95 HB VAL 95 -2.186 -3.045 -1.481 734 HG11 VAL 95 HG11 VAL 95 -1.560 -3.362 -3.837 735 HG12 VAL 95 HG12 VAL 95 -0.348 -4.011 -2.736 736 HG13 VAL 95 HG13 VAL 95 -0.066 -2.473 -3.550 737 HG21 VAL 95 HG21 VAL 95 0.075 -2.884 -0.556 738 HG22 VAL 95 HG22 VAL 95 -0.938 -1.533 -0.048 739 HG23 VAL 95 HG23 VAL 95 0.269 -1.304 -1.314 740 H THR 96 HN THR 96 -2.533 -1.319 -4.951 741 HA THR 96 HA THR 96 -0.064 0.040 -5.626 742 HB THR 96 HB THR 96 -2.159 -1.137 -7.461 743 HG1 THR 96 HG1 THR 96 -1.000 -2.984 -7.370 744 HG21 THR 96 HG21 THR 96 -0.355 -1.114 -9.132 745 HG22 THR 96 HG22 THR 96 0.701 -0.305 -7.973 746 HG23 THR 96 HG23 THR 96 -0.743 0.512 -8.571 747 H LEU 97 HN LEU 97 -3.545 0.483 -6.234 748 HA LEU 97 HA LEU 97 -3.344 2.853 -7.705 749 HB2 LEU 97 HB2 LEU 97 -5.555 1.828 -5.930 750 HB3 LEU 97 HB1 LEU 97 -5.715 3.234 -6.967 751 HG LEU 97 HG LEU 97 -5.116 0.439 -7.942 752 HD11 LEU 97 HD11 LEU 97 -7.418 0.477 -8.794 753 HD12 LEU 97 HD12 LEU 97 -7.684 2.019 -7.980 754 HD13 LEU 97 HD13 LEU 97 -7.360 0.566 -7.034 755 HD21 LEU 97 HD21 LEU 97 -5.750 2.993 -9.415 756 HD22 LEU 97 HD22 LEU 97 -5.627 1.397 -10.154 757 HD23 LEU 97 HD23 LEU 97 -4.209 2.136 -9.412 758 H LEU 98 HN LEU 98 -2.909 2.265 -4.358 759 HA LEU 98 HA LEU 98 -3.173 5.115 -3.716 760 HB2 LEU 98 HB2 LEU 98 -4.334 3.505 -2.257 761 HB3 LEU 98 HB1 LEU 98 -2.801 2.738 -1.889 762 HG LEU 98 HG LEU 98 -2.975 5.636 -1.312 763 HD11 LEU 98 HD11 LEU 98 -5.177 4.873 -0.583 764 HD12 LEU 98 HD12 LEU 98 -4.151 5.271 0.794 765 HD13 LEU 98 HD13 LEU 98 -4.424 3.584 0.357 766 HD21 LEU 98 HD21 LEU 98 -0.965 4.338 -0.821 767 HD22 LEU 98 HD22 LEU 98 -1.906 3.256 0.204 768 HD23 LEU 98 HD23 LEU 98 -1.703 4.946 0.660 769 H GLY 99 HN GLY 99 -0.865 2.729 -4.425 770 HA2 GLY 99 HA2 GLY 99 1.286 4.422 -3.308 771 HA3 GLY 99 HA1 GLY 99 1.406 2.674 -3.446 772 HA PRO 100 HA PRO 100 3.635 4.579 -7.079 773 HB2 PRO 100 HB2 PRO 100 5.177 2.070 -6.712 774 HB3 PRO 100 HB1 PRO 100 5.755 3.722 -6.958 775 HG2 PRO 100 HG2 PRO 100 5.917 2.557 -4.564 776 HG3 PRO 100 HG1 PRO 100 5.518 4.278 -4.719 777 HD2 PRO 100 HD2 PRO 100 3.716 1.957 -4.153 778 HD3 PRO 100 HD1 PRO 100 3.694 3.596 -3.470 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 45.954 10.100 -4.308 2 H2 MET 1 HT2 MET 1 44.697 8.984 -4.497 3 H3 MET 1 HT3 MET 1 46.010 8.616 -3.496 4 HA MET 1 HA MET 1 44.083 9.215 -2.192 5 HB2 MET 1 HB2 MET 1 46.323 11.246 -2.156 6 HB3 MET 1 HB1 MET 1 45.148 11.036 -0.865 7 HG2 MET 1 HG2 MET 1 47.089 8.945 -1.823 8 HG3 MET 1 HG1 MET 1 47.271 9.931 -0.375 9 HE1 MET 1 HE1 MET 1 46.483 6.331 1.015 10 HE2 MET 1 HE2 MET 1 47.642 7.661 1.003 11 HE3 MET 1 HE3 MET 1 47.383 6.702 -0.455 12 HA PRO 2 HA PRO 2 41.965 12.392 -4.796 13 HB2 PRO 2 HB2 PRO 2 39.488 11.324 -4.555 14 HB3 PRO 2 HB1 PRO 2 40.655 10.761 -5.757 15 HG2 PRO 2 HG2 PRO 2 39.964 9.581 -3.094 16 HG3 PRO 2 HG1 PRO 2 40.208 8.764 -4.649 17 HD2 PRO 2 HD2 PRO 2 42.119 8.854 -2.729 18 HD3 PRO 2 HD1 PRO 2 42.504 8.823 -4.461 19 H PHE 3 HN PHE 3 41.863 14.200 -3.599 20 HA PHE 3 HA PHE 3 40.974 14.284 -0.904 21 HB2 PHE 3 HB2 PHE 3 42.588 15.902 -1.853 22 HB3 PHE 3 HB1 PHE 3 41.310 16.561 -2.870 23 HD1 PHE 3 HD2 PHE 3 42.466 16.169 0.608 24 HD2 PHE 3 HD1 PHE 3 39.742 18.114 -2.020 25 HE1 PHE 3 HE2 PHE 3 41.849 17.727 2.408 26 HE2 PHE 3 HE1 PHE 3 39.120 19.677 -0.224 27 HZ PHE 3 HZ PHE 3 40.174 19.484 1.994 28 H HIS 4 HN HIS 4 39.388 14.585 -3.969 29 HA HIS 4 HA HIS 4 36.980 15.719 -2.786 30 HB2 HIS 4 HB2 HIS 4 36.126 15.774 -5.088 31 HB3 HIS 4 HB1 HIS 4 37.703 16.547 -4.978 32 HD1 HIS 4 HD1 HIS 4 35.886 13.868 -6.700 33 HD2 HIS 4 HD2 HIS 4 39.849 14.951 -6.081 34 HE1 HIS 4 HE1 HIS 4 37.211 12.569 -8.398 35 HE2 HIS 4 HE2 HIS 4 39.610 13.218 -7.985 36 HA PRO 5 HA PRO 5 34.908 11.878 -2.099 37 HB2 PRO 5 HB2 PRO 5 32.432 13.149 -3.091 38 HB3 PRO 5 HB1 PRO 5 32.785 12.466 -1.502 39 HG2 PRO 5 HG2 PRO 5 32.596 15.110 -1.869 40 HG3 PRO 5 HG1 PRO 5 33.768 14.413 -0.735 41 HD2 PRO 5 HD2 PRO 5 34.205 15.481 -3.497 42 HD3 PRO 5 HD1 PRO 5 35.213 15.660 -2.046 43 H VAL 6 HN VAL 6 34.769 10.096 -3.301 44 HA VAL 6 HA VAL 6 34.445 10.364 -6.192 45 HB VAL 6 HB VAL 6 35.221 7.927 -4.583 46 HG11 VAL 6 HG11 VAL 6 34.263 7.353 -6.738 47 HG12 VAL 6 HG12 VAL 6 36.000 7.048 -6.741 48 HG13 VAL 6 HG13 VAL 6 35.354 8.479 -7.546 49 HG21 VAL 6 HG21 VAL 6 36.874 9.687 -4.330 50 HG22 VAL 6 HG22 VAL 6 36.942 9.903 -6.079 51 HG23 VAL 6 HG23 VAL 6 37.508 8.398 -5.354 52 H THR 7 HN THR 7 33.396 7.839 -3.901 53 HA THR 7 HA THR 7 30.874 7.651 -5.394 54 HB THR 7 HB THR 7 32.056 5.667 -3.441 55 HG1 THR 7 HG1 THR 7 32.131 4.545 -5.703 56 HG21 THR 7 HG21 THR 7 29.621 5.521 -3.601 57 HG22 THR 7 HG22 THR 7 30.383 4.125 -4.362 58 HG23 THR 7 HG23 THR 7 29.732 5.427 -5.358 59 H ALA 8 HN ALA 8 28.983 8.180 -4.489 60 HA ALA 8 HA ALA 8 28.589 8.147 -1.635 61 HB1 ALA 8 HB1 ALA 8 28.468 10.789 -3.085 62 HB2 ALA 8 HB2 ALA 8 29.715 10.305 -1.937 63 HB3 ALA 8 HB3 ALA 8 28.049 10.504 -1.396 64 H ALA 9 HN ALA 9 26.316 9.439 -1.274 65 HA ALA 9 HA ALA 9 24.422 7.893 -2.775 66 HB1 ALA 9 HB1 ALA 9 23.937 10.051 -0.724 67 HB2 ALA 9 HB2 ALA 9 24.117 8.329 -0.382 68 HB3 ALA 9 HB3 ALA 9 22.745 8.901 -1.331 69 H LEU 10 HN LEU 10 25.315 11.308 -2.583 70 HA LEU 10 HA LEU 10 23.280 12.285 -4.278 71 HB2 LEU 10 HB2 LEU 10 26.022 13.413 -3.709 72 HB3 LEU 10 HB1 LEU 10 24.723 14.281 -4.505 73 HG LEU 10 HG LEU 10 24.619 13.246 -1.669 74 HD11 LEU 10 HD11 LEU 10 24.790 15.615 -1.038 75 HD12 LEU 10 HD12 LEU 10 25.065 16.032 -2.729 76 HD13 LEU 10 HD13 LEU 10 26.236 15.036 -1.864 77 HD21 LEU 10 HD21 LEU 10 22.735 15.029 -3.211 78 HD22 LEU 10 HD22 LEU 10 22.605 14.630 -1.498 79 HD23 LEU 10 HD23 LEU 10 22.423 13.365 -2.714 80 H MET 11 HN MET 11 24.113 13.603 -6.339 81 HA MET 11 HA MET 11 24.633 13.446 -8.545 82 HB2 MET 11 HB2 MET 11 26.936 11.779 -7.514 83 HB3 MET 11 HB1 MET 11 26.832 12.508 -9.110 84 HG2 MET 11 HG2 MET 11 26.777 14.733 -8.064 85 HG3 MET 11 HG1 MET 11 26.960 13.971 -6.484 86 HE1 MET 11 HE1 MET 11 28.630 14.776 -9.922 87 HE2 MET 11 HE2 MET 11 28.658 13.013 -9.923 88 HE3 MET 11 HE3 MET 11 30.167 13.919 -9.803 89 H TYR 12 HN TYR 12 22.591 11.932 -8.188 90 HA TYR 12 HA TYR 12 22.936 9.150 -8.633 91 HB2 TYR 12 HB2 TYR 12 20.518 9.132 -9.095 92 HB3 TYR 12 HB1 TYR 12 20.889 10.039 -7.632 93 HD1 TYR 12 HD1 TYR 12 20.755 12.516 -7.650 94 HD2 TYR 12 HD2 TYR 12 19.517 10.186 -10.988 95 HE1 TYR 12 HE1 TYR 12 19.520 14.449 -8.533 96 HE2 TYR 12 HE2 TYR 12 18.280 12.114 -11.882 97 HH TYR 12 HH TYR 12 18.689 15.261 -10.722 98 H ARG 13 HN ARG 13 22.814 11.917 -10.713 99 HA ARG 13 HA ARG 13 22.212 10.518 -13.122 100 HB2 ARG 13 HB2 ARG 13 23.236 12.669 -14.155 101 HB3 ARG 13 HB1 ARG 13 21.724 12.782 -13.267 102 HG2 ARG 13 HG2 ARG 13 23.028 14.611 -12.572 103 HG3 ARG 13 HG1 ARG 13 23.100 13.442 -11.254 104 HD2 ARG 13 HD2 ARG 13 25.297 14.379 -11.661 105 HD3 ARG 13 HD1 ARG 13 25.281 12.669 -12.082 106 HE ARG 13 HE ARG 13 24.719 14.246 -14.360 107 HH11 ARG 13 HH11 ARG 13 27.338 13.316 -12.255 108 HH12 ARG 13 HH12 ARG 13 28.556 13.525 -13.469 109 HH21 ARG 13 HH21 ARG 13 26.316 14.522 -15.961 110 HH22 ARG 13 HH22 ARG 13 27.975 14.209 -15.575 111 H GLY 14 HN GLY 14 23.807 10.651 -15.019 112 HA2 GLY 14 HA2 GLY 14 25.968 10.364 -15.886 113 HA3 GLY 14 HA1 GLY 14 26.592 10.281 -14.245 114 H ILE 15 HN ILE 15 23.863 8.361 -15.272 115 HA ILE 15 HA ILE 15 25.572 5.996 -15.547 116 HB ILE 15 HB ILE 15 24.846 6.044 -13.201 117 HG12 ILE 15 HG12 ILE 15 23.737 3.793 -13.166 118 HG13 ILE 15 HG11 ILE 15 23.559 3.909 -14.914 119 HG21 ILE 15 HG21 ILE 15 22.050 5.946 -14.321 120 HG22 ILE 15 HG22 ILE 15 22.784 7.316 -13.488 121 HG23 ILE 15 HG23 ILE 15 22.489 5.811 -12.618 122 HD11 ILE 15 HD11 ILE 15 26.179 3.948 -13.434 123 HD12 ILE 15 HD12 ILE 15 25.959 3.960 -15.185 124 HD13 ILE 15 HD13 ILE 15 25.481 2.546 -14.245 125 H TYR 16 HN TYR 16 24.787 4.421 -16.902 126 HA TYR 16 HA TYR 16 22.818 5.224 -18.801 127 HB2 TYR 16 HB2 TYR 16 24.105 2.509 -18.436 128 HB3 TYR 16 HB1 TYR 16 23.250 3.073 -19.870 129 HD1 TYR 16 HD1 TYR 16 24.263 4.809 -21.310 130 HD2 TYR 16 HD2 TYR 16 26.370 3.146 -18.010 131 HE1 TYR 16 HE1 TYR 16 26.372 5.690 -22.220 132 HE2 TYR 16 HE2 TYR 16 28.484 4.022 -18.910 133 HH TYR 16 HH TYR 16 29.421 4.727 -21.055 134 H THR 17 HN THR 17 20.779 5.383 -18.033 135 HA THR 17 HA THR 17 19.679 3.291 -16.339 136 HB THR 17 HB THR 17 17.641 4.726 -16.291 137 HG1 THR 17 HG1 THR 17 17.649 5.914 -18.112 138 HG21 THR 17 HG21 THR 17 20.223 6.140 -15.614 139 HG22 THR 17 HG22 THR 17 19.379 4.982 -14.586 140 HG23 THR 17 HG23 THR 17 18.632 6.535 -14.965 141 H VAL 18 HN VAL 18 19.320 1.488 -17.535 142 HA VAL 18 HA VAL 18 18.104 1.609 -20.145 143 HB VAL 18 HB VAL 18 18.040 -0.933 -19.861 144 HG11 VAL 18 HG11 VAL 18 20.439 -1.144 -20.308 145 HG12 VAL 18 HG12 VAL 18 20.693 0.498 -19.717 146 HG13 VAL 18 HG13 VAL 18 19.738 0.223 -21.174 147 HG21 VAL 18 HG21 VAL 18 19.514 -1.848 -18.129 148 HG22 VAL 18 HG22 VAL 18 18.138 -0.997 -17.429 149 HG23 VAL 18 HG23 VAL 18 19.725 -0.230 -17.459 150 HA PRO 19 HA PRO 19 13.856 2.032 -18.807 151 HB2 PRO 19 HB2 PRO 19 13.606 0.371 -21.286 152 HB3 PRO 19 HB1 PRO 19 12.651 1.764 -20.770 153 HG2 PRO 19 HG2 PRO 19 14.578 2.023 -22.596 154 HG3 PRO 19 HG1 PRO 19 14.275 3.284 -21.387 155 HD2 PRO 19 HD2 PRO 19 16.524 1.381 -21.597 156 HD3 PRO 19 HD1 PRO 19 16.450 2.959 -20.791 157 H ASN 20 HN ASN 20 15.350 -1.029 -19.721 158 HA ASN 20 HA ASN 20 13.290 -2.533 -18.300 159 HB2 ASN 20 HB2 ASN 20 15.643 -3.401 -19.990 160 HB3 ASN 20 HB1 ASN 20 14.600 -4.530 -19.131 161 HD21 ASN 20 HD21 ASN 20 12.205 -2.936 -19.572 162 HD22 ASN 20 HD22 ASN 20 11.780 -3.157 -21.232 163 H LEU 21 HN LEU 21 14.618 -0.921 -16.603 164 HA LEU 21 HA LEU 21 16.859 -2.267 -15.393 165 HB2 LEU 21 HB2 LEU 21 15.560 0.312 -15.198 166 HB3 LEU 21 HB1 LEU 21 15.953 -0.335 -13.616 167 HG LEU 21 HG LEU 21 18.141 -0.545 -15.552 168 HD11 LEU 21 HD11 LEU 21 17.163 2.164 -14.673 169 HD12 LEU 21 HD12 LEU 21 17.211 1.552 -16.326 170 HD13 LEU 21 HD13 LEU 21 18.713 1.835 -15.447 171 HD21 LEU 21 HD21 LEU 21 18.391 -1.044 -13.178 172 HD22 LEU 21 HD22 LEU 21 17.916 0.606 -12.773 173 HD23 LEU 21 HD23 LEU 21 19.417 0.310 -13.651 174 H LEU 22 HN LEU 22 14.181 -3.611 -15.511 175 HA LEU 22 HA LEU 22 13.722 -3.961 -12.625 176 HB2 LEU 22 HB2 LEU 22 11.515 -4.762 -13.144 177 HB3 LEU 22 HB1 LEU 22 11.760 -3.209 -13.918 178 HG LEU 22 HG LEU 22 12.179 -5.756 -15.451 179 HD11 LEU 22 HD11 LEU 22 9.852 -5.612 -16.204 180 HD12 LEU 22 HD12 LEU 22 9.560 -4.318 -15.040 181 HD13 LEU 22 HD13 LEU 22 9.962 -5.940 -14.474 182 HD21 LEU 22 HD21 LEU 22 11.592 -4.321 -17.345 183 HD22 LEU 22 HD22 LEU 22 12.968 -3.678 -16.449 184 HD23 LEU 22 HD23 LEU 22 11.370 -2.960 -16.244 185 H SER 23 HN SER 23 15.332 -5.337 -15.124 186 HA SER 23 HA SER 23 14.739 -8.103 -14.384 187 HB2 SER 23 HB2 SER 23 16.141 -8.705 -16.321 188 HB3 SER 23 HB1 SER 23 14.852 -7.592 -16.776 189 HG SER 23 HG SER 23 17.222 -7.225 -17.438 190 H GLU 24 HN GLU 24 17.014 -5.646 -13.730 191 HA GLU 24 HA GLU 24 18.842 -7.636 -12.554 192 HB2 GLU 24 HB2 GLU 24 20.654 -5.961 -12.860 193 HB3 GLU 24 HB1 GLU 24 19.969 -6.533 -14.375 194 HG2 GLU 24 HG2 GLU 24 18.621 -4.495 -14.527 195 HG3 GLU 24 HG1 GLU 24 19.331 -3.923 -13.019 196 H GLN 25 HN GLN 25 17.128 -4.624 -12.147 197 HA GLN 25 HA GLN 25 18.135 -4.386 -9.400 198 HB2 GLN 25 HB2 GLN 25 18.323 -2.371 -10.772 199 HB3 GLN 25 HB1 GLN 25 16.598 -2.416 -11.102 200 HG2 GLN 25 HG2 GLN 25 16.161 -2.100 -8.698 201 HG3 GLN 25 HG1 GLN 25 17.898 -1.961 -8.427 202 HE21 GLN 25 HE21 GLN 25 18.989 -0.133 -9.169 203 HE22 GLN 25 HE22 GLN 25 18.156 1.318 -9.602 204 H ARG 26 HN ARG 26 16.916 -5.043 -7.769 205 HA ARG 26 HA ARG 26 14.364 -6.176 -8.103 206 HB2 ARG 26 HB2 ARG 26 14.305 -6.242 -5.623 207 HB3 ARG 26 HB1 ARG 26 15.808 -6.871 -6.287 208 HG2 ARG 26 HG2 ARG 26 16.928 -4.772 -5.777 209 HG3 ARG 26 HG1 ARG 26 15.420 -4.112 -5.144 210 HD2 ARG 26 HD2 ARG 26 15.386 -5.770 -3.387 211 HD3 ARG 26 HD1 ARG 26 16.818 -6.551 -4.058 212 HE ARG 26 HE ARG 26 17.816 -4.172 -3.599 213 HH11 ARG 26 HH11 ARG 26 15.617 -5.995 -1.602 214 HH12 ARG 26 HH12 ARG 26 16.199 -5.316 -0.119 215 HH21 ARG 26 HH21 ARG 26 18.588 -3.276 -1.652 216 HH22 ARG 26 HH22 ARG 26 17.887 -3.771 -0.147 217 HA PRO 27 HA PRO 27 11.797 -2.564 -7.911 218 HB2 PRO 27 HB2 PRO 27 9.432 -3.693 -7.270 219 HB3 PRO 27 HB1 PRO 27 10.169 -3.888 -8.865 220 HG2 PRO 27 HG2 PRO 27 10.156 -5.771 -6.540 221 HG3 PRO 27 HG1 PRO 27 9.918 -6.119 -8.262 222 HD2 PRO 27 HD2 PRO 27 12.283 -6.520 -6.966 223 HD3 PRO 27 HD1 PRO 27 12.173 -6.138 -8.695 224 H VAL 28 HN VAL 28 12.896 -1.673 -6.049 225 HA VAL 28 HA VAL 28 12.414 -2.339 -3.393 226 HB VAL 28 HB VAL 28 13.065 0.012 -2.859 227 HG11 VAL 28 HG11 VAL 28 15.353 -0.196 -3.722 228 HG12 VAL 28 HG12 VAL 28 14.809 -1.439 -4.849 229 HG13 VAL 28 HG13 VAL 28 14.745 -1.735 -3.112 230 HG21 VAL 28 HG21 VAL 28 13.199 0.280 -5.862 231 HG22 VAL 28 HG22 VAL 28 13.797 1.462 -4.698 232 HG23 VAL 28 HG23 VAL 28 12.071 1.113 -4.793 233 H ASP 29 HN ASP 29 11.297 -0.889 -1.780 234 HA ASP 29 HA ASP 29 9.075 0.680 -2.533 235 HB2 ASP 29 HB2 ASP 29 8.168 -1.491 -3.245 236 HB3 ASP 29 HB1 ASP 29 8.437 -2.136 -1.629 237 H ILE 30 HN ILE 30 7.856 1.440 -0.712 238 HA ILE 30 HA ILE 30 9.366 1.976 1.562 239 HB ILE 30 HB ILE 30 6.349 1.978 1.483 240 HG12 ILE 30 HG12 ILE 30 7.108 3.110 -0.517 241 HG13 ILE 30 HG11 ILE 30 6.543 4.313 0.638 242 HG21 ILE 30 HG21 ILE 30 8.333 3.671 2.996 243 HG22 ILE 30 HG22 ILE 30 7.315 2.398 3.670 244 HG23 ILE 30 HG23 ILE 30 6.580 3.868 3.030 245 HD11 ILE 30 HD11 ILE 30 8.882 4.763 1.263 246 HD12 ILE 30 HD12 ILE 30 8.553 5.078 -0.440 247 HD13 ILE 30 HD13 ILE 30 9.408 3.611 0.035 248 HA PRO 31 HA PRO 31 9.229 -1.799 3.905 249 HB2 PRO 31 HB2 PRO 31 9.253 -0.659 6.435 250 HB3 PRO 31 HB1 PRO 31 10.684 -1.005 5.460 251 HG2 PRO 31 HG2 PRO 31 9.188 1.563 5.792 252 HG3 PRO 31 HG1 PRO 31 10.940 1.287 5.715 253 HD2 PRO 31 HD2 PRO 31 9.624 2.231 3.602 254 HD3 PRO 31 HD1 PRO 31 10.921 1.034 3.395 255 H GLU 32 HN GLU 32 7.793 -3.051 4.978 256 HA GLU 32 HA GLU 32 5.114 -2.720 4.755 257 HB2 GLU 32 HB2 GLU 32 6.230 -4.830 5.388 258 HB3 GLU 32 HB1 GLU 32 6.484 -4.197 7.008 259 HG2 GLU 32 HG2 GLU 32 4.067 -4.057 7.332 260 HG3 GLU 32 HG1 GLU 32 3.816 -4.698 5.709 261 H ASP 33 HN ASP 33 7.145 -1.291 7.197 262 HA ASP 33 HA ASP 33 5.446 -0.734 9.250 263 HB2 ASP 33 HB2 ASP 33 7.805 -0.069 9.226 264 HB3 ASP 33 HB1 ASP 33 7.451 1.168 8.024 265 H GLU 34 HN GLU 34 5.733 1.103 6.221 266 HA GLU 34 HA GLU 34 3.628 2.914 6.937 267 HB2 GLU 34 HB2 GLU 34 5.048 4.003 5.541 268 HB3 GLU 34 HB1 GLU 34 5.544 2.531 4.726 269 HG2 GLU 34 HG2 GLU 34 4.493 3.766 3.089 270 HG3 GLU 34 HG1 GLU 34 3.270 2.605 3.584 271 H LEU 35 HN LEU 35 3.856 -0.178 5.483 272 HA LEU 35 HA LEU 35 1.492 -0.073 3.890 273 HB2 LEU 35 HB2 LEU 35 3.392 -1.716 3.636 274 HB3 LEU 35 HB1 LEU 35 2.787 -2.529 5.067 275 HG LEU 35 HG LEU 35 0.570 -2.745 3.787 276 HD11 LEU 35 HD11 LEU 35 1.055 -1.156 2.021 277 HD12 LEU 35 HD12 LEU 35 0.786 -2.763 1.350 278 HD13 LEU 35 HD13 LEU 35 2.425 -2.130 1.495 279 HD21 LEU 35 HD21 LEU 35 3.015 -4.241 2.855 280 HD22 LEU 35 HD22 LEU 35 1.344 -4.765 2.643 281 HD23 LEU 35 HD23 LEU 35 2.026 -4.629 4.263 282 H GLU 36 HN GLU 36 2.182 -0.766 7.233 283 HA GLU 36 HA GLU 36 -0.147 -2.134 7.954 284 HB2 GLU 36 HB2 GLU 36 1.777 -1.954 9.443 285 HB3 GLU 36 HB1 GLU 36 1.537 -0.218 9.581 286 HG2 GLU 36 HG2 GLU 36 -0.598 -0.590 10.691 287 HG3 GLU 36 HG1 GLU 36 -0.385 -2.333 10.530 288 H GLU 37 HN GLU 37 0.482 1.283 7.502 289 HA GLU 37 HA GLU 37 -1.893 2.261 8.685 290 HB2 GLU 37 HB2 GLU 37 0.175 3.597 8.121 291 HB3 GLU 37 HB1 GLU 37 -0.330 3.544 6.439 292 HG2 GLU 37 HG2 GLU 37 -2.103 4.642 8.592 293 HG3 GLU 37 HG1 GLU 37 -0.889 5.629 7.782 294 H ILE 38 HN ILE 38 -1.094 1.101 5.470 295 HA ILE 38 HA ILE 38 -3.474 1.969 4.188 296 HB ILE 38 HB ILE 38 -1.755 -0.386 3.396 297 HG12 ILE 38 HG12 ILE 38 -1.436 2.556 2.752 298 HG13 ILE 38 HG11 ILE 38 -0.335 1.565 3.703 299 HG21 ILE 38 HG21 ILE 38 -2.572 0.093 1.145 300 HG22 ILE 38 HG22 ILE 38 -3.543 1.425 1.772 301 HG23 ILE 38 HG23 ILE 38 -3.909 -0.234 2.248 302 HD11 ILE 38 HD11 ILE 38 0.137 0.220 1.699 303 HD12 ILE 38 HD12 ILE 38 0.563 1.917 1.500 304 HD13 ILE 38 HD13 ILE 38 -0.908 1.286 0.762 305 H ARG 39 HN ARG 39 -2.498 -1.093 5.679 306 HA ARG 39 HA ARG 39 -4.896 -2.479 5.062 307 HB2 ARG 39 HB2 ARG 39 -2.759 -3.002 7.133 308 HB3 ARG 39 HB1 ARG 39 -4.081 -4.109 6.783 309 HG2 ARG 39 HG2 ARG 39 -3.190 -4.776 4.815 310 HG3 ARG 39 HG1 ARG 39 -2.454 -3.207 4.490 311 HD2 ARG 39 HD2 ARG 39 -0.636 -4.616 4.892 312 HD3 ARG 39 HD1 ARG 39 -0.866 -3.764 6.418 313 HE ARG 39 HE ARG 39 -2.268 -5.931 6.915 314 HH11 ARG 39 HH11 ARG 39 0.806 -5.656 5.298 315 HH12 ARG 39 HH12 ARG 39 1.356 -7.220 5.802 316 HH21 ARG 39 HH21 ARG 39 -1.552 -7.989 7.583 317 HH22 ARG 39 HH22 ARG 39 0.017 -8.545 7.101 318 H GLU 40 HN GLU 40 -3.716 -1.536 8.295 319 HA GLU 40 HA GLU 40 -5.898 -1.965 9.801 320 HB2 GLU 40 HB2 GLU 40 -3.808 -1.059 10.690 321 HB3 GLU 40 HB1 GLU 40 -4.154 0.498 9.949 322 HG2 GLU 40 HG2 GLU 40 -6.158 0.695 11.369 323 HG3 GLU 40 HG1 GLU 40 -5.727 -0.827 12.148 324 H ALA 41 HN ALA 41 -5.571 0.628 7.466 325 HA ALA 41 HA ALA 41 -7.764 2.182 8.338 326 HB1 ALA 41 HB1 ALA 41 -6.489 2.005 5.616 327 HB2 ALA 41 HB2 ALA 41 -6.051 3.116 6.915 328 HB3 ALA 41 HB3 ALA 41 -7.626 3.251 6.131 329 H PHE 42 HN PHE 42 -7.746 0.617 5.147 330 HA PHE 42 HA PHE 42 -10.591 0.419 5.178 331 HB2 PHE 42 HB2 PHE 42 -8.427 -0.242 3.238 332 HB3 PHE 42 HB1 PHE 42 -10.032 -0.910 2.978 333 HD1 PHE 42 HD1 PHE 42 -8.819 2.417 4.163 334 HD2 PHE 42 HD2 PHE 42 -11.103 0.238 1.308 335 HE1 PHE 42 HE1 PHE 42 -9.537 4.531 3.130 336 HE2 PHE 42 HE2 PHE 42 -11.823 2.350 0.270 337 HZ PHE 42 HZ PHE 42 -11.043 4.499 1.180 338 H LYS 43 HN LYS 43 -7.988 -1.821 5.811 339 HA LYS 43 HA LYS 43 -9.350 -4.223 5.446 340 HB2 LYS 43 HB2 LYS 43 -6.823 -3.621 6.138 341 HB3 LYS 43 HB1 LYS 43 -7.446 -4.095 7.713 342 HG2 LYS 43 HG2 LYS 43 -6.393 -5.966 6.567 343 HG3 LYS 43 HG1 LYS 43 -8.115 -6.256 6.817 344 HD2 LYS 43 HD2 LYS 43 -7.362 -6.939 4.570 345 HD3 LYS 43 HD1 LYS 43 -8.586 -5.669 4.513 346 HE2 LYS 43 HE2 LYS 43 -6.833 -3.995 4.167 347 HE3 LYS 43 HE1 LYS 43 -5.607 -5.262 4.238 348 HZ1 LYS 43 HZ1 LYS 43 -6.133 -4.678 1.959 349 HZ2 LYS 43 HZ2 LYS 43 -7.764 -5.053 2.206 350 HZ3 LYS 43 HZ3 LYS 43 -6.596 -6.275 2.276 351 H VAL 44 HN VAL 44 -9.289 -2.074 8.294 352 HA VAL 44 HA VAL 44 -10.758 -3.909 9.918 353 HB VAL 44 HB VAL 44 -11.093 -2.086 11.490 354 HG11 VAL 44 HG11 VAL 44 -8.711 -1.513 11.899 355 HG12 VAL 44 HG12 VAL 44 -8.314 -2.229 10.336 356 HG13 VAL 44 HG13 VAL 44 -8.994 -3.231 11.617 357 HG21 VAL 44 HG21 VAL 44 -9.878 -0.331 9.365 358 HG22 VAL 44 HG22 VAL 44 -10.213 0.161 11.024 359 HG23 VAL 44 HG23 VAL 44 -11.540 -0.273 9.947 360 H PHE 45 HN PHE 45 -11.666 -1.277 7.739 361 HA PHE 45 HA PHE 45 -14.355 -1.059 8.533 362 HB2 PHE 45 HB2 PHE 45 -13.040 -0.544 5.859 363 HB3 PHE 45 HB1 PHE 45 -14.744 -0.233 6.163 364 HD1 PHE 45 HD2 PHE 45 -15.054 1.087 8.554 365 HD2 PHE 45 HD1 PHE 45 -11.724 1.327 5.918 366 HE1 PHE 45 HE2 PHE 45 -14.498 3.304 9.465 367 HE2 PHE 45 HE1 PHE 45 -11.159 3.542 6.825 368 HZ PHE 45 HZ PHE 45 -12.548 4.534 8.601 369 H ASP 46 HN ASP 46 -12.710 -3.574 6.938 370 HA ASP 46 HA ASP 46 -14.977 -4.676 5.565 371 HB2 ASP 46 HB2 ASP 46 -12.646 -5.094 4.829 372 HB3 ASP 46 HB1 ASP 46 -12.353 -5.992 6.314 373 H ARG 47 HN ARG 47 -16.637 -5.065 6.904 374 HA ARG 47 HA ARG 47 -16.580 -5.963 9.522 375 HB2 ARG 47 HB2 ARG 47 -18.724 -6.537 7.475 376 HB3 ARG 47 HB1 ARG 47 -18.921 -6.519 9.223 377 HG2 ARG 47 HG2 ARG 47 -17.843 -4.043 8.083 378 HG3 ARG 47 HG1 ARG 47 -19.487 -4.439 7.586 379 HD2 ARG 47 HD2 ARG 47 -20.118 -4.677 9.956 380 HD3 ARG 47 HD1 ARG 47 -18.479 -4.226 10.422 381 HE ARG 47 HE ARG 47 -19.517 -2.219 8.770 382 HH11 ARG 47 HH11 ARG 47 -20.028 -3.576 11.941 383 HH12 ARG 47 HH12 ARG 47 -20.623 -2.097 12.618 384 HH21 ARG 47 HH21 ARG 47 -20.301 -0.271 9.653 385 HH22 ARG 47 HH22 ARG 47 -20.778 -0.217 11.318 386 H ASP 48 HN ASP 48 -16.661 -7.859 6.528 387 HA ASP 48 HA ASP 48 -16.888 -10.357 7.921 388 HB2 ASP 48 HB2 ASP 48 -16.165 -9.795 5.039 389 HB3 ASP 48 HB1 ASP 48 -16.571 -11.375 5.703 390 H GLY 49 HN GLY 49 -14.297 -8.287 7.066 391 HA2 GLY 49 HA2 GLY 49 -12.025 -8.460 7.330 392 HA3 GLY 49 HA1 GLY 49 -12.374 -9.736 8.486 393 H ASN 50 HN ASN 50 -13.589 -10.302 5.353 394 HA ASN 50 HA ASN 50 -11.860 -12.553 4.998 395 HB2 ASN 50 HB2 ASN 50 -13.081 -12.707 2.754 396 HB3 ASN 50 HB1 ASN 50 -14.062 -12.859 4.208 397 HD21 ASN 50 HD21 ASN 50 -15.918 -12.238 3.109 398 HD22 ASN 50 HD22 ASN 50 -16.202 -10.600 2.636 399 H GLY 51 HN GLY 51 -11.158 -9.427 4.631 400 HA2 GLY 51 HA2 GLY 51 -9.165 -8.602 3.700 401 HA3 GLY 51 HA1 GLY 51 -9.098 -10.009 2.651 402 H PHE 52 HN PHE 52 -12.086 -9.357 2.108 403 HA PHE 52 HA PHE 52 -11.532 -7.333 0.039 404 HB2 PHE 52 HB2 PHE 52 -13.794 -9.310 -0.093 405 HB3 PHE 52 HB1 PHE 52 -13.031 -8.422 -1.407 406 HD1 PHE 52 HD2 PHE 52 -10.777 -9.095 -2.200 407 HD2 PHE 52 HD1 PHE 52 -12.967 -11.400 0.628 408 HE1 PHE 52 HE2 PHE 52 -9.326 -11.030 -2.657 409 HE2 PHE 52 HE1 PHE 52 -11.520 -13.337 0.179 410 HZ PHE 52 HZ PHE 52 -9.696 -13.155 -1.467 411 H ILE 53 HN ILE 53 -12.818 -5.550 -0.089 412 HA ILE 53 HA ILE 53 -14.914 -5.317 1.961 413 HB ILE 53 HB ILE 53 -13.390 -3.109 0.578 414 HG12 ILE 53 HG12 ILE 53 -13.178 -3.752 3.498 415 HG13 ILE 53 HG11 ILE 53 -12.245 -4.695 2.340 416 HG21 ILE 53 HG21 ILE 53 -15.401 -3.037 2.822 417 HG22 ILE 53 HG22 ILE 53 -15.602 -2.378 1.198 418 HG23 ILE 53 HG23 ILE 53 -14.424 -1.665 2.300 419 HD11 ILE 53 HD11 ILE 53 -12.125 -1.717 2.725 420 HD12 ILE 53 HD12 ILE 53 -11.222 -2.626 1.514 421 HD13 ILE 53 HD13 ILE 53 -10.914 -2.897 3.230 422 H SER 54 HN SER 54 -16.826 -5.770 1.083 423 HA SER 54 HA SER 54 -17.512 -5.363 -1.629 424 HB2 SER 54 HB2 SER 54 -18.635 -7.019 -0.163 425 HB3 SER 54 HB1 SER 54 -19.360 -5.696 0.750 426 HG SER 54 HG SER 54 -20.215 -6.823 -1.512 427 H LYS 55 HN LYS 55 -19.798 -4.079 -1.948 428 HA LYS 55 HA LYS 55 -19.096 -1.354 -1.848 429 HB2 LYS 55 HB2 LYS 55 -21.768 -2.671 -2.360 430 HB3 LYS 55 HB1 LYS 55 -21.445 -0.963 -2.600 431 HG2 LYS 55 HG2 LYS 55 -21.259 -1.857 -4.727 432 HG3 LYS 55 HG1 LYS 55 -19.585 -1.736 -4.187 433 HD2 LYS 55 HD2 LYS 55 -19.940 -3.868 -5.269 434 HD3 LYS 55 HD1 LYS 55 -19.652 -4.121 -3.548 435 HE2 LYS 55 HE2 LYS 55 -22.060 -4.342 -3.177 436 HE3 LYS 55 HE1 LYS 55 -22.352 -4.074 -4.895 437 HZ1 LYS 55 HZ1 LYS 55 -21.134 -6.091 -5.392 438 HZ2 LYS 55 HZ2 LYS 55 -22.399 -6.429 -4.321 439 HZ3 LYS 55 HZ3 LYS 55 -20.809 -6.341 -3.750 440 H GLN 56 HN GLN 56 -21.643 -3.126 -0.104 441 HA GLN 56 HA GLN 56 -22.628 -1.070 1.450 442 HB2 GLN 56 HB2 GLN 56 -22.309 -3.923 2.380 443 HB3 GLN 56 HB1 GLN 56 -23.507 -2.758 2.923 444 HG2 GLN 56 HG2 GLN 56 -23.332 -3.785 0.102 445 HG3 GLN 56 HG1 GLN 56 -24.353 -4.498 1.348 446 HE21 GLN 56 HE21 GLN 56 -26.215 -4.056 0.170 447 HE22 GLN 56 HE22 GLN 56 -26.859 -2.460 0.030 448 H GLU 57 HN GLU 57 -19.862 -3.185 2.114 449 HA GLU 57 HA GLU 57 -19.344 -2.138 4.704 450 HB2 GLU 57 HB2 GLU 57 -17.459 -3.560 2.815 451 HB3 GLU 57 HB1 GLU 57 -17.209 -3.326 4.540 452 HG2 GLU 57 HG2 GLU 57 -19.125 -4.715 5.039 453 HG3 GLU 57 HG1 GLU 57 -19.469 -4.896 3.320 454 H LEU 58 HN LEU 58 -17.950 -1.486 1.507 455 HA LEU 58 HA LEU 58 -16.016 0.378 2.340 456 HB2 LEU 58 HB2 LEU 58 -16.443 -0.819 0.034 457 HB3 LEU 58 HB1 LEU 58 -17.402 0.604 -0.310 458 HG LEU 58 HG LEU 58 -15.084 0.682 -1.214 459 HD11 LEU 58 HD11 LEU 58 -16.443 2.714 -0.681 460 HD12 LEU 58 HD12 LEU 58 -14.697 2.959 -0.694 461 HD13 LEU 58 HD13 LEU 58 -15.555 2.824 0.839 462 HD21 LEU 58 HD21 LEU 58 -13.988 -0.483 0.661 463 HD22 LEU 58 HD22 LEU 58 -14.264 0.933 1.674 464 HD23 LEU 58 HD23 LEU 58 -13.216 1.050 0.261 465 H GLY 59 HN GLY 59 -19.442 0.611 1.862 466 HA2 GLY 59 HA2 GLY 59 -19.664 3.412 1.505 467 HA3 GLY 59 HA1 GLY 59 -20.935 2.347 2.089 468 H THR 60 HN THR 60 -19.008 1.467 4.265 469 HA THR 60 HA THR 60 -19.757 3.541 6.159 470 HB THR 60 HB THR 60 -18.340 0.928 6.719 471 HG1 THR 60 HG1 THR 60 -20.332 0.428 5.830 472 HG21 THR 60 HG21 THR 60 -19.911 2.796 8.502 473 HG22 THR 60 HG22 THR 60 -18.162 2.562 8.522 474 HG23 THR 60 HG23 THR 60 -19.234 1.242 8.990 475 H ALA 61 HN ALA 61 -17.010 2.440 4.419 476 HA ALA 61 HA ALA 61 -15.001 3.503 6.152 477 HB1 ALA 61 HB1 ALA 61 -14.824 2.819 3.219 478 HB2 ALA 61 HB2 ALA 61 -14.546 1.696 4.551 479 HB3 ALA 61 HB3 ALA 61 -13.468 3.072 4.318 480 H MET 62 HN MET 62 -16.516 4.628 3.141 481 HA MET 62 HA MET 62 -15.061 7.021 2.908 482 HB2 MET 62 HB2 MET 62 -17.798 6.269 1.878 483 HB3 MET 62 HB1 MET 62 -16.949 7.741 1.424 484 HG2 MET 62 HG2 MET 62 -15.932 4.949 0.957 485 HG3 MET 62 HG1 MET 62 -16.742 5.950 -0.246 486 HE1 MET 62 HE1 MET 62 -14.724 5.689 -1.947 487 HE2 MET 62 HE2 MET 62 -13.932 4.626 -0.784 488 HE3 MET 62 HE3 MET 62 -13.039 5.965 -1.506 489 H ARG 63 HN ARG 63 -18.296 6.413 4.281 490 HA ARG 63 HA ARG 63 -18.910 9.034 4.980 491 HB2 ARG 63 HB2 ARG 63 -20.521 8.097 6.546 492 HB3 ARG 63 HB1 ARG 63 -20.541 7.202 5.033 493 HG2 ARG 63 HG2 ARG 63 -20.539 5.438 6.433 494 HG3 ARG 63 HG1 ARG 63 -18.796 5.704 6.390 495 HD2 ARG 63 HD2 ARG 63 -19.564 5.414 8.679 496 HD3 ARG 63 HD1 ARG 63 -18.953 7.049 8.430 497 HE ARG 63 HE ARG 63 -21.765 6.913 8.022 498 HH11 ARG 63 HH11 ARG 63 -19.317 7.020 10.500 499 HH12 ARG 63 HH12 ARG 63 -20.360 7.747 11.677 500 HH21 ARG 63 HH21 ARG 63 -23.141 7.870 9.563 501 HH22 ARG 63 HH22 ARG 63 -22.533 8.230 11.145 502 H SER 64 HN SER 64 -16.885 6.688 6.597 503 HA SER 64 HA SER 64 -16.680 7.834 9.120 504 HB2 SER 64 HB2 SER 64 -15.701 5.650 8.559 505 HB3 SER 64 HB1 SER 64 -14.503 6.444 7.538 506 HG SER 64 HG SER 64 -14.228 5.905 10.042 507 H LEU 65 HN LEU 65 -15.077 8.688 6.110 508 HA LEU 65 HA LEU 65 -13.375 10.660 7.346 509 HB2 LEU 65 HB2 LEU 65 -13.972 10.403 4.406 510 HB3 LEU 65 HB1 LEU 65 -12.550 11.094 5.163 511 HG LEU 65 HG LEU 65 -13.284 8.164 5.171 512 HD11 LEU 65 HD11 LEU 65 -11.392 7.897 3.662 513 HD12 LEU 65 HD12 LEU 65 -11.135 9.641 3.659 514 HD13 LEU 65 HD13 LEU 65 -12.608 8.966 2.963 515 HD21 LEU 65 HD21 LEU 65 -10.821 9.582 6.184 516 HD22 LEU 65 HD22 LEU 65 -11.052 7.836 6.114 517 HD23 LEU 65 HD23 LEU 65 -12.061 8.816 7.177 518 H GLY 66 HN GLY 66 -16.575 10.526 6.193 519 HA2 GLY 66 HA2 GLY 66 -17.981 12.433 6.898 520 HA3 GLY 66 HA1 GLY 66 -16.733 13.478 6.235 521 H TYR 67 HN TYR 67 -17.418 10.615 4.482 522 HA TYR 67 HA TYR 67 -19.107 12.123 2.596 523 HB2 TYR 67 HB2 TYR 67 -16.974 10.117 1.830 524 HB3 TYR 67 HB1 TYR 67 -17.956 11.083 0.733 525 HD1 TYR 67 HD2 TYR 67 -17.548 13.510 0.517 526 HD2 TYR 67 HD1 TYR 67 -15.047 11.037 2.910 527 HE1 TYR 67 HE2 TYR 67 -15.834 15.273 0.535 528 HE2 TYR 67 HE1 TYR 67 -13.324 12.794 2.936 529 HH TYR 67 HH TYR 67 -13.929 15.975 1.919 530 H MET 68 HN MET 68 -21.000 11.185 3.352 531 HA MET 68 HA MET 68 -21.240 8.302 3.487 532 HB2 MET 68 HB2 MET 68 -23.660 8.888 4.050 533 HB3 MET 68 HB1 MET 68 -22.425 9.406 5.188 534 HG2 MET 68 HG2 MET 68 -22.520 11.655 4.345 535 HG3 MET 68 HG1 MET 68 -23.635 11.168 3.071 536 HE1 MET 68 HE1 MET 68 -26.873 10.307 5.065 537 HE2 MET 68 HE2 MET 68 -25.611 9.221 4.482 538 HE3 MET 68 HE3 MET 68 -26.172 10.547 3.464 539 HA PRO 69 HA PRO 69 -22.732 8.378 -0.785 540 HB2 PRO 69 HB2 PRO 69 -21.992 5.914 -1.460 541 HB3 PRO 69 HB1 PRO 69 -20.784 7.184 -1.225 542 HG2 PRO 69 HG2 PRO 69 -21.557 4.942 0.586 543 HG3 PRO 69 HG1 PRO 69 -19.956 5.637 0.280 544 HD2 PRO 69 HD2 PRO 69 -21.618 6.229 2.454 545 HD3 PRO 69 HD1 PRO 69 -20.215 7.177 1.928 546 H ASN 70 HN ASN 70 -24.530 7.498 -1.834 547 HA ASN 70 HA ASN 70 -26.453 6.202 -0.093 548 HB2 ASN 70 HB2 ASN 70 -26.728 7.171 -2.948 549 HB3 ASN 70 HB1 ASN 70 -28.045 6.580 -1.941 550 HD21 ASN 70 HD21 ASN 70 -25.792 9.167 -2.492 551 HD22 ASN 70 HD22 ASN 70 -26.582 10.337 -1.496 552 H GLU 71 HN GLU 71 -27.872 4.457 -1.193 553 HA GLU 71 HA GLU 71 -26.295 2.175 -1.606 554 HB2 GLU 71 HB2 GLU 71 -28.393 1.052 -2.221 555 HB3 GLU 71 HB1 GLU 71 -28.591 2.043 -0.783 556 HG2 GLU 71 HG2 GLU 71 -29.664 3.778 -2.095 557 HG3 GLU 71 HG1 GLU 71 -29.416 2.839 -3.567 558 H VAL 72 HN VAL 72 -27.407 4.591 -3.801 559 HA VAL 72 HA VAL 72 -26.879 2.949 -6.148 560 HB VAL 72 HB VAL 72 -28.818 4.461 -6.166 561 HG11 VAL 72 HG11 VAL 72 -27.939 6.236 -4.757 562 HG12 VAL 72 HG12 VAL 72 -28.493 6.887 -6.300 563 HG13 VAL 72 HG13 VAL 72 -26.768 6.667 -6.004 564 HG21 VAL 72 HG21 VAL 72 -28.424 5.471 -8.347 565 HG22 VAL 72 HG22 VAL 72 -27.729 3.852 -8.273 566 HG23 VAL 72 HG23 VAL 72 -26.684 5.266 -8.141 567 H GLU 73 HN GLU 73 -25.263 5.202 -4.140 568 HA GLU 73 HA GLU 73 -23.361 6.022 -6.172 569 HB2 GLU 73 HB2 GLU 73 -23.463 6.621 -3.214 570 HB3 GLU 73 HB1 GLU 73 -22.345 7.346 -4.361 571 HG2 GLU 73 HG2 GLU 73 -25.341 7.624 -4.378 572 HG3 GLU 73 HG1 GLU 73 -24.179 8.849 -3.868 573 H LEU 74 HN LEU 74 -23.139 4.323 -3.027 574 HA LEU 74 HA LEU 74 -20.443 3.694 -3.154 575 HB2 LEU 74 HB2 LEU 74 -20.774 2.347 -1.334 576 HB3 LEU 74 HB1 LEU 74 -22.196 3.363 -1.254 577 HG LEU 74 HG LEU 74 -22.116 0.558 -2.361 578 HD11 LEU 74 HD11 LEU 74 -23.396 1.552 0.170 579 HD12 LEU 74 HD12 LEU 74 -21.821 0.764 0.106 580 HD13 LEU 74 HD13 LEU 74 -23.267 -0.117 -0.390 581 HD21 LEU 74 HD21 LEU 74 -23.792 1.973 -3.449 582 HD22 LEU 74 HD22 LEU 74 -24.461 2.370 -1.867 583 HD23 LEU 74 HD23 LEU 74 -24.521 0.709 -2.457 584 H GLU 75 HN GLU 75 -22.953 2.471 -5.095 585 HA GLU 75 HA GLU 75 -21.674 -0.050 -5.677 586 HB2 GLU 75 HB2 GLU 75 -24.048 1.350 -6.905 587 HB3 GLU 75 HB1 GLU 75 -23.457 -0.215 -7.448 588 HG2 GLU 75 HG2 GLU 75 -23.803 -1.057 -5.120 589 HG3 GLU 75 HG1 GLU 75 -24.592 0.475 -4.753 590 H VAL 76 HN VAL 76 -21.811 3.152 -7.116 591 HA VAL 76 HA VAL 76 -20.440 2.234 -9.506 592 HB VAL 76 HB VAL 76 -20.611 4.514 -10.322 593 HG11 VAL 76 HG11 VAL 76 -23.189 3.553 -9.084 594 HG12 VAL 76 HG12 VAL 76 -22.517 3.023 -10.627 595 HG13 VAL 76 HG13 VAL 76 -23.048 4.693 -10.422 596 HG21 VAL 76 HG21 VAL 76 -20.265 5.639 -8.140 597 HG22 VAL 76 HG22 VAL 76 -21.911 5.196 -7.686 598 HG23 VAL 76 HG23 VAL 76 -21.634 6.284 -9.045 599 H ILE 77 HN ILE 77 -19.695 3.807 -6.506 600 HA ILE 77 HA ILE 77 -17.176 4.882 -7.316 601 HB ILE 77 HB ILE 77 -18.306 4.310 -4.577 602 HG12 ILE 77 HG12 ILE 77 -17.806 7.074 -5.445 603 HG13 ILE 77 HG11 ILE 77 -19.022 6.230 -6.399 604 HG21 ILE 77 HG21 ILE 77 -15.759 5.717 -5.358 605 HG22 ILE 77 HG22 ILE 77 -15.920 4.255 -4.382 606 HG23 ILE 77 HG23 ILE 77 -16.490 5.803 -3.755 607 HD11 ILE 77 HD11 ILE 77 -20.203 5.675 -4.297 608 HD12 ILE 77 HD12 ILE 77 -20.101 7.404 -4.625 609 HD13 ILE 77 HD13 ILE 77 -19.036 6.670 -3.426 610 H ILE 78 HN ILE 78 -18.226 1.888 -5.785 611 HA ILE 78 HA ILE 78 -15.752 0.870 -5.027 612 HB ILE 78 HB ILE 78 -18.418 -0.269 -5.558 613 HG12 ILE 78 HG12 ILE 78 -17.620 0.466 -3.332 614 HG13 ILE 78 HG11 ILE 78 -18.086 -1.232 -3.357 615 HG21 ILE 78 HG21 ILE 78 -15.962 -2.014 -5.625 616 HG22 ILE 78 HG22 ILE 78 -17.170 -1.821 -6.897 617 HG23 ILE 78 HG23 ILE 78 -17.605 -2.605 -5.378 618 HD11 ILE 78 HD11 ILE 78 -15.277 -0.155 -3.445 619 HD12 ILE 78 HD12 ILE 78 -15.722 -1.861 -3.514 620 HD13 ILE 78 HD13 ILE 78 -16.069 -0.917 -2.066 621 H GLN 79 HN GLN 79 -17.437 0.596 -8.153 622 HA GLN 79 HA GLN 79 -15.782 -1.201 -9.427 623 HB2 GLN 79 HB2 GLN 79 -17.163 1.226 -10.572 624 HB3 GLN 79 HB1 GLN 79 -16.478 -0.075 -11.535 625 HG2 GLN 79 HG2 GLN 79 -18.028 -1.648 -10.411 626 HG3 GLN 79 HG1 GLN 79 -18.762 -0.274 -9.586 627 HE21 GLN 79 HE21 GLN 79 -19.991 1.196 -10.766 628 HE22 GLN 79 HE22 GLN 79 -20.602 0.827 -12.338 629 H ARG 80 HN ARG 80 -15.350 2.296 -9.051 630 HA ARG 80 HA ARG 80 -13.247 2.817 -10.689 631 HB2 ARG 80 HB2 ARG 80 -13.645 3.819 -7.870 632 HB3 ARG 80 HB1 ARG 80 -12.524 4.523 -9.028 633 HG2 ARG 80 HG2 ARG 80 -14.576 4.793 -10.544 634 HG3 ARG 80 HG1 ARG 80 -15.516 4.512 -9.077 635 HD2 ARG 80 HD2 ARG 80 -13.405 6.641 -9.391 636 HD3 ARG 80 HD1 ARG 80 -15.136 6.909 -9.572 637 HE ARG 80 HE ARG 80 -14.646 5.728 -7.071 638 HH11 ARG 80 HH11 ARG 80 -14.144 8.730 -8.764 639 HH12 ARG 80 HH12 ARG 80 -14.172 9.695 -7.326 640 HH21 ARG 80 HH21 ARG 80 -14.682 6.991 -5.172 641 HH22 ARG 80 HH22 ARG 80 -14.480 8.707 -5.285 642 H LEU 81 HN LEU 81 -13.097 1.202 -7.549 643 HA LEU 81 HA LEU 81 -10.204 0.938 -7.764 644 HB2 LEU 81 HB2 LEU 81 -12.136 0.059 -5.618 645 HB3 LEU 81 HB1 LEU 81 -10.401 -0.185 -5.545 646 HG LEU 81 HG LEU 81 -10.270 2.399 -5.811 647 HD11 LEU 81 HD11 LEU 81 -13.081 2.075 -4.771 648 HD12 LEU 81 HD12 LEU 81 -12.627 2.745 -6.337 649 HD13 LEU 81 HD13 LEU 81 -12.175 3.586 -4.855 650 HD21 LEU 81 HD21 LEU 81 -11.249 1.113 -3.265 651 HD22 LEU 81 HD22 LEU 81 -10.417 2.663 -3.384 652 HD23 LEU 81 HD23 LEU 81 -9.578 1.176 -3.824 653 H ASP 82 HN ASP 82 -13.102 -1.073 -7.806 654 HA ASP 82 HA ASP 82 -11.670 -3.537 -8.062 655 HB2 ASP 82 HB2 ASP 82 -14.090 -3.105 -7.182 656 HB3 ASP 82 HB1 ASP 82 -14.536 -3.189 -8.883 657 H MET 83 HN MET 83 -10.267 -3.100 -9.832 658 HA MET 83 HA MET 83 -11.083 -2.273 -12.375 659 HB2 MET 83 HB2 MET 83 -8.760 -4.045 -11.604 660 HB3 MET 83 HB1 MET 83 -8.963 -3.278 -13.173 661 HG2 MET 83 HG2 MET 83 -8.909 -1.075 -12.060 662 HG3 MET 83 HG1 MET 83 -8.595 -1.889 -10.530 663 HE1 MET 83 HE1 MET 83 -7.180 -2.847 -14.111 664 HE2 MET 83 HE2 MET 83 -5.701 -1.888 -14.127 665 HE3 MET 83 HE3 MET 83 -7.272 -1.087 -14.109 666 H ASP 84 HN ASP 84 -10.640 -5.568 -11.101 667 HA ASP 84 HA ASP 84 -11.415 -6.855 -13.506 668 HB2 ASP 84 HB2 ASP 84 -11.727 -8.866 -11.970 669 HB3 ASP 84 HB1 ASP 84 -10.121 -8.144 -12.007 670 H GLY 85 HN GLY 85 -13.185 -5.384 -10.962 671 HA2 GLY 85 HA2 GLY 85 -15.435 -4.957 -10.769 672 HA3 GLY 85 HA1 GLY 85 -15.651 -5.684 -12.351 673 H ASP 86 HN ASP 86 -14.314 -7.256 -9.465 674 HA ASP 86 HA ASP 86 -16.216 -9.406 -9.769 675 HB2 ASP 86 HB2 ASP 86 -14.966 -10.571 -8.126 676 HB3 ASP 86 HB1 ASP 86 -13.779 -9.690 -9.082 677 H GLY 87 HN GLY 87 -16.070 -6.473 -8.061 678 HA2 GLY 87 HA2 GLY 87 -18.134 -5.682 -7.049 679 HA3 GLY 87 HA1 GLY 87 -18.388 -7.307 -6.434 680 H GLN 88 HN GLN 88 -15.410 -7.370 -5.768 681 HA GLN 88 HA GLN 88 -15.496 -5.631 -3.395 682 HB2 GLN 88 HB2 GLN 88 -14.474 -8.476 -3.436 683 HB3 GLN 88 HB1 GLN 88 -14.576 -7.416 -2.035 684 HG2 GLN 88 HG2 GLN 88 -16.933 -7.504 -2.017 685 HG3 GLN 88 HG1 GLN 88 -16.992 -8.238 -3.618 686 HE21 GLN 88 HE21 GLN 88 -18.203 -9.978 -2.901 687 HE22 GLN 88 HE22 GLN 88 -17.532 -11.234 -1.921 688 H VAL 89 HN VAL 89 -13.675 -4.521 -2.974 689 HA VAL 89 HA VAL 89 -11.557 -4.583 -4.916 690 HB VAL 89 HB VAL 89 -11.733 -2.960 -2.374 691 HG11 VAL 89 HG11 VAL 89 -9.471 -3.092 -3.258 692 HG12 VAL 89 HG12 VAL 89 -10.134 -1.476 -3.501 693 HG13 VAL 89 HG13 VAL 89 -10.048 -2.606 -4.853 694 HG21 VAL 89 HG21 VAL 89 -13.650 -2.546 -3.826 695 HG22 VAL 89 HG22 VAL 89 -12.568 -2.248 -5.186 696 HG23 VAL 89 HG23 VAL 89 -12.567 -1.155 -3.801 697 H ASP 90 HN ASP 90 -9.707 -5.648 -4.811 698 HA ASP 90 HA ASP 90 -9.063 -7.181 -2.434 699 HB2 ASP 90 HB2 ASP 90 -8.907 -8.237 -4.651 700 HB3 ASP 90 HB1 ASP 90 -7.678 -7.068 -5.121 701 H PHE 91 HN PHE 91 -7.000 -7.138 -1.409 702 HA PHE 91 HA PHE 91 -6.088 -4.733 -0.539 703 HB2 PHE 91 HB2 PHE 91 -5.488 -6.882 0.482 704 HB3 PHE 91 HB1 PHE 91 -4.432 -7.241 -0.880 705 HD1 PHE 91 HD1 PHE 91 -4.855 -4.092 1.070 706 HD2 PHE 91 HD2 PHE 91 -2.295 -7.310 -0.024 707 HE1 PHE 91 HE1 PHE 91 -2.990 -3.003 2.245 708 HE2 PHE 91 HE2 PHE 91 -0.423 -6.225 1.148 709 HZ PHE 91 HZ PHE 91 -0.770 -4.068 2.286 710 H GLU 92 HN GLU 92 -4.423 -6.649 -3.055 711 HA GLU 92 HA GLU 92 -2.429 -4.857 -3.689 712 HB2 GLU 92 HB2 GLU 92 -3.894 -6.742 -5.540 713 HB3 GLU 92 HB1 GLU 92 -2.370 -5.950 -5.917 714 HG2 GLU 92 HG2 GLU 92 -1.316 -7.090 -4.026 715 HG3 GLU 92 HG1 GLU 92 -2.842 -7.898 -3.671 716 H GLU 93 HN GLU 93 -5.622 -5.097 -5.270 717 HA GLU 93 HA GLU 93 -5.320 -3.041 -7.093 718 HB2 GLU 93 HB2 GLU 93 -7.832 -3.809 -5.598 719 HB3 GLU 93 HB1 GLU 93 -7.775 -2.867 -7.081 720 HG2 GLU 93 HG2 GLU 93 -6.866 -4.756 -8.285 721 HG3 GLU 93 HG1 GLU 93 -6.807 -5.703 -6.799 722 H PHE 94 HN PHE 94 -5.736 -2.857 -3.661 723 HA PHE 94 HA PHE 94 -6.476 -0.045 -3.744 724 HB2 PHE 94 HB2 PHE 94 -7.540 -1.575 -2.107 725 HB3 PHE 94 HB1 PHE 94 -5.971 -1.816 -1.347 726 HD1 PHE 94 HD1 PHE 94 -8.414 0.839 -2.237 727 HD2 PHE 94 HD2 PHE 94 -5.279 -0.406 0.356 728 HE1 PHE 94 HE1 PHE 94 -8.809 2.812 -0.821 729 HE2 PHE 94 HE2 PHE 94 -5.669 1.564 1.778 730 HZ PHE 94 HZ PHE 94 -7.434 3.175 1.191 731 H VAL 95 HN VAL 95 -3.687 -2.044 -2.882 732 HA VAL 95 HA VAL 95 -2.185 -0.020 -1.636 733 HB VAL 95 HB VAL 95 -0.238 -1.387 -1.927 734 HG11 VAL 95 HG11 VAL 95 -1.052 -3.535 -1.016 735 HG12 VAL 95 HG12 VAL 95 -2.698 -3.034 -1.403 736 HG13 VAL 95 HG13 VAL 95 -1.753 -2.124 -0.226 737 HG21 VAL 95 HG21 VAL 95 -0.093 -3.286 -3.346 738 HG22 VAL 95 HG22 VAL 95 -0.683 -1.948 -4.332 739 HG23 VAL 95 HG23 VAL 95 -1.802 -3.182 -3.758 740 H THR 96 HN THR 96 -2.678 -0.806 -5.017 741 HA THR 96 HA THR 96 -0.513 0.828 -5.949 742 HB THR 96 HB THR 96 -2.849 -0.352 -7.462 743 HG1 THR 96 HG1 THR 96 -0.815 -1.554 -6.371 744 HG21 THR 96 HG21 THR 96 -1.914 1.522 -8.683 745 HG22 THR 96 HG22 THR 96 -1.426 0.014 -9.458 746 HG23 THR 96 HG23 THR 96 -0.281 0.896 -8.449 747 H LEU 97 HN LEU 97 -4.060 1.148 -5.860 748 HA LEU 97 HA LEU 97 -4.158 3.673 -7.115 749 HB2 LEU 97 HB2 LEU 97 -6.082 2.408 -5.164 750 HB3 LEU 97 HB1 LEU 97 -6.421 3.838 -6.119 751 HG LEU 97 HG LEU 97 -5.840 1.103 -7.259 752 HD11 LEU 97 HD11 LEU 97 -8.225 1.074 -7.822 753 HD12 LEU 97 HD12 LEU 97 -8.443 2.586 -6.941 754 HD13 LEU 97 HD13 LEU 97 -7.959 1.125 -6.080 755 HD21 LEU 97 HD21 LEU 97 -6.768 3.657 -8.572 756 HD22 LEU 97 HD22 LEU 97 -6.617 2.088 -9.365 757 HD23 LEU 97 HD23 LEU 97 -5.180 2.910 -8.755 758 H LEU 98 HN LEU 98 -3.330 2.707 -3.920 759 HA LEU 98 HA LEU 98 -3.554 5.461 -2.932 760 HB2 LEU 98 HB2 LEU 98 -4.574 3.681 -1.573 761 HB3 LEU 98 HB1 LEU 98 -3.014 2.893 -1.437 762 HG LEU 98 HG LEU 98 -3.136 5.701 -0.507 763 HD11 LEU 98 HD11 LEU 98 -5.263 4.834 0.318 764 HD12 LEU 98 HD12 LEU 98 -4.116 5.074 1.637 765 HD13 LEU 98 HD13 LEU 98 -4.430 3.450 1.025 766 HD21 LEU 98 HD21 LEU 98 -1.937 3.168 0.610 767 HD22 LEU 98 HD22 LEU 98 -1.696 4.794 1.249 768 HD23 LEU 98 HD23 LEU 98 -1.091 4.378 -0.354 769 H GLY 99 HN GLY 99 -1.292 3.138 -4.024 770 HA2 GLY 99 HA2 GLY 99 0.971 4.362 -2.663 771 HA3 GLY 99 HA1 GLY 99 1.030 2.988 -3.754 772 HA PRO 100 HA PRO 100 3.043 5.927 -6.491 773 HB2 PRO 100 HB2 PRO 100 2.411 3.835 -8.506 774 HB3 PRO 100 HB1 PRO 100 3.955 4.609 -8.132 775 HG2 PRO 100 HG2 PRO 100 3.467 2.109 -7.357 776 HG3 PRO 100 HG1 PRO 100 4.356 3.232 -6.310 777 HD2 PRO 100 HD2 PRO 100 1.512 2.325 -6.137 778 HD3 PRO 100 HD1 PRO 100 2.681 2.627 -4.836 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -15.453 -8.965 37.746 2 H2 MET 1 HT2 MET 1 -16.591 -8.546 38.925 3 H3 MET 1 HT3 MET 1 -17.101 -8.947 37.362 4 HA MET 1 HA MET 1 -15.799 -10.775 39.295 5 HB2 MET 1 HB2 MET 1 -18.637 -10.719 38.244 6 HB3 MET 1 HB1 MET 1 -17.973 -11.912 39.351 7 HG2 MET 1 HG2 MET 1 -17.597 -10.143 41.010 8 HG3 MET 1 HG1 MET 1 -18.318 -8.975 39.903 9 HE1 MET 1 HE1 MET 1 -21.110 -9.259 42.597 10 HE2 MET 1 HE2 MET 1 -20.061 -8.178 41.681 11 HE3 MET 1 HE3 MET 1 -19.367 -9.278 42.871 12 HA PRO 2 HA PRO 2 -14.851 -12.313 35.043 13 HB2 PRO 2 HB2 PRO 2 -12.576 -13.621 35.816 14 HB3 PRO 2 HB1 PRO 2 -12.613 -11.925 35.323 15 HG2 PRO 2 HG2 PRO 2 -12.587 -13.101 38.073 16 HG3 PRO 2 HG1 PRO 2 -11.708 -11.694 37.447 17 HD2 PRO 2 HD2 PRO 2 -13.942 -11.445 38.938 18 HD3 PRO 2 HD1 PRO 2 -13.541 -10.303 37.640 19 H PHE 3 HN PHE 3 -16.716 -13.668 35.252 20 HA PHE 3 HA PHE 3 -16.230 -16.290 36.493 21 HB2 PHE 3 HB2 PHE 3 -18.237 -15.191 37.305 22 HB3 PHE 3 HB1 PHE 3 -18.807 -14.940 35.660 23 HD1 PHE 3 HD1 PHE 3 -18.175 -17.478 38.256 24 HD2 PHE 3 HD2 PHE 3 -19.952 -16.644 34.480 25 HE1 PHE 3 HE1 PHE 3 -19.371 -19.626 38.348 26 HE2 PHE 3 HE2 PHE 3 -21.152 -18.790 34.566 27 HZ PHE 3 HZ PHE 3 -20.862 -20.285 36.501 28 H HIS 4 HN HIS 4 -17.245 -14.700 33.517 29 HA HIS 4 HA HIS 4 -17.189 -17.264 32.103 30 HB2 HIS 4 HB2 HIS 4 -19.172 -15.779 31.828 31 HB3 HIS 4 HB1 HIS 4 -18.122 -14.563 31.111 32 HD1 HIS 4 HD1 HIS 4 -18.267 -14.567 28.655 33 HD2 HIS 4 HD2 HIS 4 -18.820 -18.372 30.229 34 HE1 HIS 4 HE1 HIS 4 -18.675 -16.061 26.673 35 HE2 HIS 4 HE2 HIS 4 -18.943 -18.370 27.646 36 HA PRO 5 HA PRO 5 -13.039 -16.208 30.756 37 HB2 PRO 5 HB2 PRO 5 -12.890 -18.131 28.789 38 HB3 PRO 5 HB1 PRO 5 -12.545 -18.420 30.497 39 HG2 PRO 5 HG2 PRO 5 -15.045 -18.969 28.949 40 HG3 PRO 5 HG1 PRO 5 -14.247 -19.964 30.182 41 HD2 PRO 5 HD2 PRO 5 -16.417 -18.499 30.758 42 HD3 PRO 5 HD1 PRO 5 -15.099 -18.702 31.932 43 H VAL 6 HN VAL 6 -12.501 -14.621 29.422 44 HA VAL 6 HA VAL 6 -14.174 -14.110 27.069 45 HB VAL 6 HB VAL 6 -13.939 -12.244 28.624 46 HG11 VAL 6 HG11 VAL 6 -11.764 -12.827 29.565 47 HG12 VAL 6 HG12 VAL 6 -11.784 -11.160 28.990 48 HG13 VAL 6 HG13 VAL 6 -10.986 -12.412 28.038 49 HG21 VAL 6 HG21 VAL 6 -13.192 -10.531 27.043 50 HG22 VAL 6 HG22 VAL 6 -14.199 -11.744 26.251 51 HG23 VAL 6 HG23 VAL 6 -12.448 -11.779 26.042 52 H THR 7 HN THR 7 -13.336 -13.930 25.021 53 HA THR 7 HA THR 7 -10.469 -14.426 24.659 54 HB THR 7 HB THR 7 -11.445 -16.616 24.428 55 HG1 THR 7 HG1 THR 7 -11.245 -16.236 21.748 56 HG21 THR 7 HG21 THR 7 -13.758 -16.011 24.012 57 HG22 THR 7 HG22 THR 7 -13.183 -17.076 22.729 58 HG23 THR 7 HG23 THR 7 -13.328 -15.343 22.438 59 H ALA 8 HN ALA 8 -9.565 -13.459 22.890 60 HA ALA 8 HA ALA 8 -11.344 -12.038 21.033 61 HB1 ALA 8 HB1 ALA 8 -9.935 -10.046 21.155 62 HB2 ALA 8 HB2 ALA 8 -8.940 -10.820 22.389 63 HB3 ALA 8 HB3 ALA 8 -10.626 -10.433 22.731 64 H ALA 9 HN ALA 9 -9.533 -10.837 19.420 65 HA ALA 9 HA ALA 9 -8.625 -12.911 17.781 66 HB1 ALA 9 HB1 ALA 9 -9.094 -10.653 16.959 67 HB2 ALA 9 HB2 ALA 9 -7.476 -11.186 16.499 68 HB3 ALA 9 HB3 ALA 9 -7.684 -10.045 17.830 69 H LEU 10 HN LEU 10 -6.499 -10.531 19.361 70 HA LEU 10 HA LEU 10 -4.330 -10.671 20.058 71 HB2 LEU 10 HB2 LEU 10 -5.833 -12.068 21.726 72 HB3 LEU 10 HB1 LEU 10 -4.889 -13.408 21.106 73 HG LEU 10 HG LEU 10 -3.945 -12.584 23.188 74 HD11 LEU 10 HD11 LEU 10 -1.650 -12.220 22.474 75 HD12 LEU 10 HD12 LEU 10 -2.201 -11.871 20.835 76 HD13 LEU 10 HD13 LEU 10 -2.414 -13.486 21.512 77 HD21 LEU 10 HD21 LEU 10 -2.975 -10.333 23.326 78 HD22 LEU 10 HD22 LEU 10 -4.723 -10.292 23.108 79 HD23 LEU 10 HD23 LEU 10 -3.657 -9.953 21.745 80 H MET 11 HN MET 11 -3.204 -10.795 18.116 81 HA MET 11 HA MET 11 -2.888 -13.155 16.601 82 HB2 MET 11 HB2 MET 11 -1.147 -10.687 16.746 83 HB3 MET 11 HB1 MET 11 -0.987 -11.951 15.534 84 HG2 MET 11 HG2 MET 11 -3.280 -11.477 14.775 85 HG3 MET 11 HG1 MET 11 -3.374 -10.166 15.949 86 HE1 MET 11 HE1 MET 11 -1.895 -7.962 15.829 87 HE2 MET 11 HE2 MET 11 -0.639 -7.697 14.619 88 HE3 MET 11 HE3 MET 11 -0.443 -8.963 15.831 89 H TYR 12 HN TYR 12 -2.242 -14.900 17.811 90 HA TYR 12 HA TYR 12 0.006 -14.760 19.593 91 HB2 TYR 12 HB2 TYR 12 -1.640 -17.072 18.560 92 HB3 TYR 12 HB1 TYR 12 -0.293 -17.275 19.674 93 HD1 TYR 12 HD2 TYR 12 -0.422 -16.049 21.921 94 HD2 TYR 12 HD1 TYR 12 -3.779 -16.566 19.359 95 HE1 TYR 12 HE2 TYR 12 -1.926 -15.633 23.820 96 HE2 TYR 12 HE1 TYR 12 -5.294 -16.151 21.252 97 HH TYR 12 HH TYR 12 -5.252 -16.285 23.707 98 H ARG 13 HN ARG 13 -0.598 -16.485 16.528 99 HA ARG 13 HA ARG 13 2.025 -15.917 15.553 100 HB2 ARG 13 HB2 ARG 13 2.650 -17.689 17.084 101 HB3 ARG 13 HB1 ARG 13 1.403 -18.741 16.430 102 HG2 ARG 13 HG2 ARG 13 2.559 -18.817 14.294 103 HG3 ARG 13 HG1 ARG 13 3.794 -17.719 14.912 104 HD2 ARG 13 HD2 ARG 13 3.168 -20.448 16.035 105 HD3 ARG 13 HD1 ARG 13 4.511 -20.078 14.953 106 HE ARG 13 HE ARG 13 4.716 -18.366 17.129 107 HH11 ARG 13 HH11 ARG 13 4.844 -21.790 16.502 108 HH12 ARG 13 HH12 ARG 13 5.922 -22.121 17.816 109 HH21 ARG 13 HH21 ARG 13 6.137 -18.789 18.859 110 HH22 ARG 13 HH22 ARG 13 6.660 -20.414 19.154 111 H GLY 14 HN GLY 14 2.029 -15.960 13.390 112 HA2 GLY 14 HA2 GLY 14 -0.120 -17.471 12.039 113 HA3 GLY 14 HA1 GLY 14 0.280 -15.821 11.582 114 H ILE 15 HN ILE 15 1.547 -19.114 11.747 115 HA ILE 15 HA ILE 15 3.936 -18.667 10.342 116 HB ILE 15 HB ILE 15 3.551 -20.712 11.612 117 HG12 ILE 15 HG12 ILE 15 4.354 -22.360 9.910 118 HG13 ILE 15 HG11 ILE 15 4.007 -21.173 8.656 119 HG21 ILE 15 HG21 ILE 15 1.540 -21.397 9.474 120 HG22 ILE 15 HG22 ILE 15 1.186 -21.020 11.158 121 HG23 ILE 15 HG23 ILE 15 2.086 -22.481 10.752 122 HD11 ILE 15 HD11 ILE 15 5.641 -19.656 9.632 123 HD12 ILE 15 HD12 ILE 15 6.368 -21.211 9.229 124 HD13 ILE 15 HD13 ILE 15 5.976 -20.829 10.905 125 H TYR 16 HN TYR 16 4.467 -18.665 8.218 126 HA TYR 16 HA TYR 16 2.233 -18.675 6.303 127 HB2 TYR 16 HB2 TYR 16 3.752 -17.347 4.841 128 HB3 TYR 16 HB1 TYR 16 3.385 -16.549 6.366 129 HD1 TYR 16 HD1 TYR 16 5.105 -16.392 8.129 130 HD2 TYR 16 HD2 TYR 16 5.989 -18.027 4.301 131 HE1 TYR 16 HE1 TYR 16 7.508 -16.132 8.579 132 HE2 TYR 16 HE2 TYR 16 8.395 -17.773 4.743 133 HH TYR 16 HH TYR 16 9.638 -17.104 7.825 134 H THR 17 HN THR 17 3.055 -19.261 3.989 135 HA THR 17 HA THR 17 5.102 -21.296 3.924 136 HB THR 17 HB THR 17 3.431 -22.758 4.692 137 HG1 THR 17 HG1 THR 17 4.090 -23.962 3.075 138 HG21 THR 17 HG21 THR 17 1.504 -21.277 4.461 139 HG22 THR 17 HG22 THR 17 1.160 -22.857 3.756 140 HG23 THR 17 HG23 THR 17 1.536 -21.488 2.710 141 H VAL 18 HN VAL 18 6.031 -19.944 2.361 142 HA VAL 18 HA VAL 18 4.549 -19.596 -0.143 143 HB VAL 18 HB VAL 18 6.496 -18.128 -0.786 144 HG11 VAL 18 HG11 VAL 18 4.400 -17.194 0.025 145 HG12 VAL 18 HG12 VAL 18 5.768 -16.247 0.609 146 HG13 VAL 18 HG13 VAL 18 4.948 -17.373 1.691 147 HG21 VAL 18 HG21 VAL 18 7.216 -18.471 2.125 148 HG22 VAL 18 HG22 VAL 18 7.961 -17.333 1.002 149 HG23 VAL 18 HG23 VAL 18 8.146 -19.069 0.751 150 HA PRO 19 HA PRO 19 6.733 -22.925 -2.083 151 HB2 PRO 19 HB2 PRO 19 6.614 -22.094 -4.681 152 HB3 PRO 19 HB1 PRO 19 5.249 -22.815 -3.822 153 HG2 PRO 19 HG2 PRO 19 5.850 -19.928 -4.337 154 HG3 PRO 19 HG1 PRO 19 4.303 -20.788 -4.453 155 HD2 PRO 19 HD2 PRO 19 4.924 -19.261 -2.324 156 HD3 PRO 19 HD1 PRO 19 3.962 -20.745 -2.166 157 H ASN 20 HN ASN 20 7.598 -19.668 -3.246 158 HA ASN 20 HA ASN 20 10.340 -19.983 -2.620 159 HB2 ASN 20 HB2 ASN 20 11.164 -19.868 -5.025 160 HB3 ASN 20 HB1 ASN 20 10.535 -21.425 -4.495 161 HD21 ASN 20 HD21 ASN 20 8.543 -22.137 -5.276 162 HD22 ASN 20 HD22 ASN 20 7.826 -21.457 -6.693 163 H LEU 21 HN LEU 21 9.814 -17.978 -1.646 164 HA LEU 21 HA LEU 21 9.625 -15.732 -3.547 165 HB2 LEU 21 HB2 LEU 21 7.980 -16.374 -1.340 166 HB3 LEU 21 HB1 LEU 21 8.917 -14.968 -0.872 167 HG LEU 21 HG LEU 21 6.782 -14.297 -1.817 168 HD11 LEU 21 HD11 LEU 21 9.077 -13.676 -3.669 169 HD12 LEU 21 HD12 LEU 21 8.692 -12.830 -2.169 170 HD13 LEU 21 HD13 LEU 21 7.578 -12.758 -3.535 171 HD21 LEU 21 HD21 LEU 21 6.388 -16.241 -3.241 172 HD22 LEU 21 HD22 LEU 21 7.681 -15.717 -4.320 173 HD23 LEU 21 HD23 LEU 21 6.224 -14.738 -4.149 174 H LEU 22 HN LEU 22 11.828 -17.315 -1.904 175 HA LEU 22 HA LEU 22 13.184 -14.952 -0.806 176 HB2 LEU 22 HB2 LEU 22 14.609 -16.487 0.414 177 HB3 LEU 22 HB1 LEU 22 12.923 -16.827 0.746 178 HG LEU 22 HG LEU 22 14.425 -18.402 -1.324 179 HD11 LEU 22 HD11 LEU 22 14.925 -20.061 0.412 180 HD12 LEU 22 HD12 LEU 22 14.329 -18.944 1.640 181 HD13 LEU 22 HD13 LEU 22 15.763 -18.535 0.696 182 HD21 LEU 22 HD21 LEU 22 11.988 -18.882 0.378 183 HD22 LEU 22 HD22 LEU 22 12.771 -20.139 -0.579 184 HD23 LEU 22 HD23 LEU 22 12.070 -18.733 -1.377 185 H SER 23 HN SER 23 12.957 -15.845 -3.678 186 HA SER 23 HA SER 23 15.819 -16.189 -4.267 187 HB2 SER 23 HB2 SER 23 14.411 -17.958 -5.195 188 HB3 SER 23 HB1 SER 23 13.404 -16.757 -6.002 189 HG SER 23 HG SER 23 15.846 -17.774 -6.723 190 H GLU 24 HN GLU 24 12.917 -14.445 -5.341 191 HA GLU 24 HA GLU 24 14.671 -12.403 -6.532 192 HB2 GLU 24 HB2 GLU 24 12.672 -11.760 -7.876 193 HB3 GLU 24 HB1 GLU 24 13.244 -13.393 -8.191 194 HG2 GLU 24 HG2 GLU 24 11.484 -14.233 -6.645 195 HG3 GLU 24 HG1 GLU 24 10.861 -12.588 -6.545 196 H GLN 25 HN GLN 25 12.171 -13.004 -4.206 197 HA GLN 25 HA GLN 25 11.257 -11.732 -2.558 198 HB2 GLN 25 HB2 GLN 25 13.610 -11.081 -2.141 199 HB3 GLN 25 HB1 GLN 25 13.422 -9.743 -3.265 200 HG2 GLN 25 HG2 GLN 25 13.232 -8.910 -1.037 201 HG3 GLN 25 HG1 GLN 25 11.649 -8.824 -1.806 202 HE21 GLN 25 HE21 GLN 25 10.007 -10.183 -1.108 203 HE22 GLN 25 HE22 GLN 25 10.095 -11.044 0.387 204 H ARG 26 HN ARG 26 9.457 -10.529 -2.515 205 HA ARG 26 HA ARG 26 8.419 -9.394 -4.864 206 HB2 ARG 26 HB2 ARG 26 6.594 -8.570 -3.440 207 HB3 ARG 26 HB1 ARG 26 6.979 -10.250 -3.093 208 HG2 ARG 26 HG2 ARG 26 8.253 -9.553 -1.126 209 HG3 ARG 26 HG1 ARG 26 7.863 -7.868 -1.476 210 HD2 ARG 26 HD2 ARG 26 5.488 -8.353 -1.204 211 HD3 ARG 26 HD1 ARG 26 5.861 -10.046 -0.884 212 HE ARG 26 HE ARG 26 7.258 -8.911 1.038 213 HH11 ARG 26 HH11 ARG 26 4.054 -8.130 -0.086 214 HH12 ARG 26 HH12 ARG 26 3.509 -7.570 1.460 215 HH21 ARG 26 HH21 ARG 26 6.550 -8.172 3.075 216 HH22 ARG 26 HH22 ARG 26 4.929 -7.591 3.257 217 HA PRO 27 HA PRO 27 10.286 -5.353 -4.558 218 HB2 PRO 27 HB2 PRO 27 9.206 -4.236 -6.730 219 HB3 PRO 27 HB1 PRO 27 10.374 -5.556 -6.868 220 HG2 PRO 27 HG2 PRO 27 7.400 -5.622 -7.126 221 HG3 PRO 27 HG1 PRO 27 8.627 -6.489 -8.065 222 HD2 PRO 27 HD2 PRO 27 7.172 -7.561 -5.956 223 HD3 PRO 27 HD1 PRO 27 8.706 -8.205 -6.570 224 H VAL 28 HN VAL 28 9.640 -4.025 -2.974 225 HA VAL 28 HA VAL 28 6.933 -2.863 -3.145 226 HB VAL 28 HB VAL 28 6.960 -2.635 -0.688 227 HG11 VAL 28 HG11 VAL 28 6.539 -4.979 -0.168 228 HG12 VAL 28 HG12 VAL 28 7.371 -5.467 -1.644 229 HG13 VAL 28 HG13 VAL 28 5.863 -4.555 -1.741 230 HG21 VAL 28 HG21 VAL 28 9.376 -2.602 -0.347 231 HG22 VAL 28 HG22 VAL 28 9.477 -4.291 -0.844 232 HG23 VAL 28 HG23 VAL 28 8.618 -3.857 0.635 233 H ASP 29 HN ASP 29 6.765 -0.728 -1.991 234 HA ASP 29 HA ASP 29 9.262 0.798 -2.133 235 HB2 ASP 29 HB2 ASP 29 8.042 1.191 -4.219 236 HB3 ASP 29 HB1 ASP 29 6.612 1.654 -3.301 237 H ILE 30 HN ILE 30 6.344 0.108 -0.599 238 HA ILE 30 HA ILE 30 6.673 2.363 1.259 239 HB ILE 30 HB ILE 30 4.216 0.658 0.853 240 HG12 ILE 30 HG12 ILE 30 4.662 2.052 -1.115 241 HG13 ILE 30 HG11 ILE 30 3.249 2.635 -0.244 242 HG21 ILE 30 HG21 ILE 30 4.690 3.140 2.490 243 HG22 ILE 30 HG22 ILE 30 4.339 1.520 3.093 244 HG23 ILE 30 HG23 ILE 30 3.109 2.414 2.198 245 HD11 ILE 30 HD11 ILE 30 6.014 3.820 -0.133 246 HD12 ILE 30 HD12 ILE 30 4.612 4.399 0.767 247 HD13 ILE 30 HD13 ILE 30 4.623 4.480 -0.994 248 HA PRO 31 HA PRO 31 8.146 -0.916 3.985 249 HB2 PRO 31 HB2 PRO 31 8.673 0.704 6.117 250 HB3 PRO 31 HB1 PRO 31 9.773 0.499 4.750 251 HG2 PRO 31 HG2 PRO 31 7.830 2.698 5.307 252 HG3 PRO 31 HG1 PRO 31 9.479 2.796 4.667 253 HD2 PRO 31 HD2 PRO 31 7.294 2.982 3.083 254 HD3 PRO 31 HD1 PRO 31 8.815 2.259 2.524 255 H GLU 32 HN GLU 32 7.310 -2.020 5.746 256 HA GLU 32 HA GLU 32 4.655 -2.168 6.165 257 HB2 GLU 32 HB2 GLU 32 6.227 -3.787 7.073 258 HB3 GLU 32 HB1 GLU 32 6.781 -2.616 8.262 259 HG2 GLU 32 HG2 GLU 32 4.576 -2.609 9.297 260 HG3 GLU 32 HG1 GLU 32 3.999 -3.756 8.089 261 H ASP 33 HN ASP 33 6.833 -0.007 7.960 262 HA ASP 33 HA ASP 33 5.208 0.966 9.903 263 HB2 ASP 33 HB2 ASP 33 7.105 2.564 8.179 264 HB3 ASP 33 HB1 ASP 33 6.447 3.107 9.718 265 H GLU 34 HN GLU 34 5.247 2.119 6.531 266 HA GLU 34 HA GLU 34 2.964 3.848 7.073 267 HB2 GLU 34 HB2 GLU 34 3.500 3.845 4.308 268 HB3 GLU 34 HB1 GLU 34 3.892 5.099 5.477 269 HG2 GLU 34 HG2 GLU 34 5.709 2.764 5.124 270 HG3 GLU 34 HG1 GLU 34 5.737 4.090 3.965 271 H LEU 35 HN LEU 35 3.664 0.779 5.622 272 HA LEU 35 HA LEU 35 1.353 0.593 3.997 273 HB2 LEU 35 HB2 LEU 35 3.618 -0.853 4.201 274 HB3 LEU 35 HB1 LEU 35 2.515 -1.900 5.074 275 HG LEU 35 HG LEU 35 2.139 -0.940 2.234 276 HD11 LEU 35 HD11 LEU 35 2.500 -3.332 1.687 277 HD12 LEU 35 HD12 LEU 35 2.982 -3.599 3.364 278 HD13 LEU 35 HD13 LEU 35 3.929 -2.525 2.334 279 HD21 LEU 35 HD21 LEU 35 0.302 -2.584 2.184 280 HD22 LEU 35 HD22 LEU 35 0.002 -1.266 3.316 281 HD23 LEU 35 HD23 LEU 35 0.515 -2.844 3.915 282 H GLU 36 HN GLU 36 2.002 -0.223 7.356 283 HA GLU 36 HA GLU 36 -0.199 -1.847 7.881 284 HB2 GLU 36 HB2 GLU 36 0.064 -1.185 10.230 285 HB3 GLU 36 HB1 GLU 36 1.614 -1.552 9.486 286 HG2 GLU 36 HG2 GLU 36 2.054 0.828 9.216 287 HG3 GLU 36 HG1 GLU 36 0.497 1.203 9.951 288 H GLU 37 HN GLU 37 0.041 1.605 7.502 289 HA GLU 37 HA GLU 37 -2.463 2.283 8.650 290 HB2 GLU 37 HB2 GLU 37 -0.674 3.934 8.282 291 HB3 GLU 37 HB1 GLU 37 -0.845 3.735 6.544 292 HG2 GLU 37 HG2 GLU 37 -1.945 5.753 7.263 293 HG3 GLU 37 HG1 GLU 37 -3.137 4.590 6.682 294 H ILE 38 HN ILE 38 -1.447 1.127 5.534 295 HA ILE 38 HA ILE 38 -3.812 1.785 4.099 296 HB ILE 38 HB ILE 38 -1.791 -0.385 3.492 297 HG12 ILE 38 HG12 ILE 38 -1.906 2.466 2.477 298 HG13 ILE 38 HG11 ILE 38 -0.806 1.897 3.729 299 HG21 ILE 38 HG21 ILE 38 -3.873 -0.672 2.271 300 HG22 ILE 38 HG22 ILE 38 -2.592 -0.144 1.180 301 HG23 ILE 38 HG23 ILE 38 -3.811 1.006 1.730 302 HD11 ILE 38 HD11 ILE 38 0.227 0.373 2.131 303 HD12 ILE 38 HD12 ILE 38 0.301 2.045 1.574 304 HD13 ILE 38 HD13 ILE 38 -0.880 0.934 0.878 305 H ARG 39 HN ARG 39 -2.633 -1.230 5.575 306 HA ARG 39 HA ARG 39 -4.938 -2.752 4.937 307 HB2 ARG 39 HB2 ARG 39 -2.868 -3.194 7.096 308 HB3 ARG 39 HB1 ARG 39 -4.044 -4.385 6.557 309 HG2 ARG 39 HG2 ARG 39 -2.743 -5.010 4.880 310 HG3 ARG 39 HG1 ARG 39 -2.563 -3.344 4.326 311 HD2 ARG 39 HD2 ARG 39 -0.394 -4.279 4.861 312 HD3 ARG 39 HD1 ARG 39 -0.798 -2.997 6.001 313 HE ARG 39 HE ARG 39 -1.594 -5.506 7.031 314 HH11 ARG 39 HH11 ARG 39 1.251 -3.586 6.418 315 HH12 ARG 39 HH12 ARG 39 2.171 -4.312 7.693 316 HH21 ARG 39 HH21 ARG 39 -0.388 -6.465 8.711 317 HH22 ARG 39 HH22 ARG 39 1.240 -5.949 8.996 318 H GLU 40 HN GLU 40 -3.836 -1.856 8.207 319 HA GLU 40 HA GLU 40 -6.017 -2.434 9.666 320 HB2 GLU 40 HB2 GLU 40 -3.927 -1.465 10.564 321 HB3 GLU 40 HB1 GLU 40 -4.427 0.116 9.980 322 HG2 GLU 40 HG2 GLU 40 -6.389 0.021 11.450 323 HG3 GLU 40 HG1 GLU 40 -5.841 -1.541 12.056 324 H ALA 41 HN ALA 41 -5.766 0.252 7.439 325 HA ALA 41 HA ALA 41 -7.983 1.734 8.346 326 HB1 ALA 41 HB1 ALA 41 -6.809 1.593 5.575 327 HB2 ALA 41 HB2 ALA 41 -6.298 2.678 6.868 328 HB3 ALA 41 HB3 ALA 41 -7.910 2.835 6.170 329 H PHE 42 HN PHE 42 -7.993 0.179 5.150 330 HA PHE 42 HA PHE 42 -10.841 -0.114 5.283 331 HB2 PHE 42 HB2 PHE 42 -8.760 -0.709 3.208 332 HB3 PHE 42 HB1 PHE 42 -10.422 -1.240 3.000 333 HD1 PHE 42 HD2 PHE 42 -8.411 1.803 3.717 334 HD2 PHE 42 HD1 PHE 42 -11.977 0.183 2.055 335 HE1 PHE 42 HE2 PHE 42 -9.012 4.026 2.851 336 HE2 PHE 42 HE1 PHE 42 -12.585 2.402 1.187 337 HZ PHE 42 HZ PHE 42 -11.104 4.328 1.585 338 H LYS 43 HN LYS 43 -8.117 -2.237 5.756 339 HA LYS 43 HA LYS 43 -9.331 -4.702 5.315 340 HB2 LYS 43 HB2 LYS 43 -6.851 -3.973 6.046 341 HB3 LYS 43 HB1 LYS 43 -7.454 -4.525 7.604 342 HG2 LYS 43 HG2 LYS 43 -6.923 -6.583 6.988 343 HG3 LYS 43 HG1 LYS 43 -8.217 -6.499 5.791 344 HD2 LYS 43 HD2 LYS 43 -5.342 -5.684 5.359 345 HD3 LYS 43 HD1 LYS 43 -6.103 -7.157 4.757 346 HE2 LYS 43 HE2 LYS 43 -6.871 -4.331 4.021 347 HE3 LYS 43 HE1 LYS 43 -5.955 -5.452 3.012 348 HZ1 LYS 43 HZ1 LYS 43 -7.865 -6.913 2.938 349 HZ2 LYS 43 HZ2 LYS 43 -8.297 -5.372 2.392 350 HZ3 LYS 43 HZ3 LYS 43 -8.743 -5.875 3.944 351 H VAL 44 HN VAL 44 -9.366 -2.657 8.232 352 HA VAL 44 HA VAL 44 -10.759 -4.611 9.788 353 HB VAL 44 HB VAL 44 -11.083 -2.896 11.460 354 HG11 VAL 44 HG11 VAL 44 -8.349 -2.808 10.199 355 HG12 VAL 44 HG12 VAL 44 -8.921 -3.943 11.422 356 HG13 VAL 44 HG13 VAL 44 -8.726 -2.238 11.825 357 HG21 VAL 44 HG21 VAL 44 -10.312 -0.583 11.081 358 HG22 VAL 44 HG22 VAL 44 -11.686 -1.020 10.064 359 HG23 VAL 44 HG23 VAL 44 -10.062 -0.970 9.379 360 H PHE 45 HN PHE 45 -11.753 -1.870 7.780 361 HA PHE 45 HA PHE 45 -14.427 -1.735 8.600 362 HB2 PHE 45 HB2 PHE 45 -13.169 -1.130 5.917 363 HB3 PHE 45 HB1 PHE 45 -14.867 -0.833 6.269 364 HD1 PHE 45 HD1 PHE 45 -14.910 0.291 8.899 365 HD2 PHE 45 HD2 PHE 45 -12.066 0.876 5.790 366 HE1 PHE 45 HE1 PHE 45 -14.338 2.492 9.841 367 HE2 PHE 45 HE2 PHE 45 -11.486 3.074 6.728 368 HZ PHE 45 HZ PHE 45 -12.622 3.885 8.755 369 H ASP 46 HN ASP 46 -12.777 -4.166 6.872 370 HA ASP 46 HA ASP 46 -14.987 -5.263 5.447 371 HB2 ASP 46 HB2 ASP 46 -12.556 -5.686 4.931 372 HB3 ASP 46 HB1 ASP 46 -12.490 -6.705 6.364 373 H ARG 47 HN ARG 47 -16.701 -5.454 6.874 374 HA ARG 47 HA ARG 47 -16.666 -6.508 9.436 375 HB2 ARG 47 HB2 ARG 47 -18.904 -6.713 7.417 376 HB3 ARG 47 HB1 ARG 47 -19.066 -6.871 9.161 377 HG2 ARG 47 HG2 ARG 47 -18.203 -4.523 9.357 378 HG3 ARG 47 HG1 ARG 47 -18.333 -4.408 7.602 379 HD2 ARG 47 HD2 ARG 47 -20.591 -5.009 9.509 380 HD3 ARG 47 HD1 ARG 47 -20.300 -3.468 8.703 381 HE ARG 47 HE ARG 47 -20.797 -5.901 7.130 382 HH11 ARG 47 HH11 ARG 47 -21.669 -2.658 8.069 383 HH12 ARG 47 HH12 ARG 47 -22.865 -2.485 6.829 384 HH21 ARG 47 HH21 ARG 47 -22.376 -5.678 5.499 385 HH22 ARG 47 HH22 ARG 47 -23.268 -4.200 5.372 386 H ASP 48 HN ASP 48 -17.039 -8.201 6.341 387 HA ASP 48 HA ASP 48 -17.421 -10.753 7.585 388 HB2 ASP 48 HB2 ASP 48 -16.666 -10.141 4.720 389 HB3 ASP 48 HB1 ASP 48 -17.326 -11.656 5.330 390 H GLY 49 HN GLY 49 -14.699 -8.845 6.774 391 HA2 GLY 49 HA2 GLY 49 -12.439 -9.208 6.911 392 HA3 GLY 49 HA1 GLY 49 -12.847 -10.466 8.066 393 H ASN 50 HN ASN 50 -14.142 -10.816 4.898 394 HA ASN 50 HA ASN 50 -12.678 -13.240 4.500 395 HB2 ASN 50 HB2 ASN 50 -13.912 -13.343 2.340 396 HB3 ASN 50 HB1 ASN 50 -14.965 -13.124 3.731 397 HD21 ASN 50 HD21 ASN 50 -15.585 -12.538 1.022 398 HD22 ASN 50 HD22 ASN 50 -15.896 -10.843 0.914 399 H GLY 51 HN GLY 51 -11.712 -10.151 4.164 400 HA2 GLY 51 HA2 GLY 51 -9.571 -9.575 3.323 401 HA3 GLY 51 HA1 GLY 51 -9.685 -10.912 2.190 402 H PHE 52 HN PHE 52 -12.597 -9.721 1.841 403 HA PHE 52 HA PHE 52 -11.790 -7.640 -0.082 404 HB2 PHE 52 HB2 PHE 52 -14.205 -9.347 -0.558 405 HB3 PHE 52 HB1 PHE 52 -13.206 -8.483 -1.720 406 HD1 PHE 52 HD1 PHE 52 -11.051 -9.415 -2.441 407 HD2 PHE 52 HD2 PHE 52 -13.661 -11.552 0.149 408 HE1 PHE 52 HE1 PHE 52 -9.818 -11.492 -2.916 409 HE2 PHE 52 HE2 PHE 52 -12.436 -13.631 -0.316 410 HZ PHE 52 HZ PHE 52 -10.509 -13.604 -1.852 411 H ILE 53 HN ILE 53 -13.111 -5.843 -0.266 412 HA ILE 53 HA ILE 53 -15.132 -5.575 1.857 413 HB ILE 53 HB ILE 53 -13.513 -3.427 0.484 414 HG12 ILE 53 HG12 ILE 53 -13.353 -4.005 3.407 415 HG13 ILE 53 HG11 ILE 53 -12.548 -5.117 2.306 416 HG21 ILE 53 HG21 ILE 53 -15.473 -3.204 2.767 417 HG22 ILE 53 HG22 ILE 53 -15.747 -2.649 1.116 418 HG23 ILE 53 HG23 ILE 53 -14.496 -1.894 2.104 419 HD11 ILE 53 HD11 ILE 53 -11.277 -3.246 1.371 420 HD12 ILE 53 HD12 ILE 53 -11.008 -3.440 3.104 421 HD13 ILE 53 HD13 ILE 53 -12.065 -2.157 2.513 422 H SER 54 HN SER 54 -17.100 -5.863 1.068 423 HA SER 54 HA SER 54 -17.837 -5.406 -1.636 424 HB2 SER 54 HB2 SER 54 -18.959 -7.070 -0.182 425 HB3 SER 54 HB1 SER 54 -19.630 -5.754 0.781 426 HG SER 54 HG SER 54 -21.005 -5.286 -0.783 427 H LYS 55 HN LYS 55 -20.089 -4.071 -1.872 428 HA LYS 55 HA LYS 55 -19.332 -1.365 -1.753 429 HB2 LYS 55 HB2 LYS 55 -22.064 -2.583 -2.190 430 HB3 LYS 55 HB1 LYS 55 -21.661 -0.897 -2.467 431 HG2 LYS 55 HG2 LYS 55 -21.559 -1.796 -4.584 432 HG3 LYS 55 HG1 LYS 55 -19.872 -1.821 -4.078 433 HD2 LYS 55 HD2 LYS 55 -20.389 -3.914 -5.134 434 HD3 LYS 55 HD1 LYS 55 -20.164 -4.197 -3.408 435 HE2 LYS 55 HE2 LYS 55 -22.914 -3.634 -4.372 436 HE3 LYS 55 HE1 LYS 55 -22.217 -5.206 -4.761 437 HZ1 LYS 55 HZ1 LYS 55 -23.485 -5.200 -2.670 438 HZ2 LYS 55 HZ2 LYS 55 -22.401 -4.078 -2.019 439 HZ3 LYS 55 HZ3 LYS 55 -21.864 -5.626 -2.437 440 H GLN 56 HN GLN 56 -21.743 -3.178 0.137 441 HA GLN 56 HA GLN 56 -22.661 -1.054 1.699 442 HB2 GLN 56 HB2 GLN 56 -22.446 -3.949 2.540 443 HB3 GLN 56 HB1 GLN 56 -23.518 -2.735 3.224 444 HG2 GLN 56 HG2 GLN 56 -23.622 -3.822 0.419 445 HG3 GLN 56 HG1 GLN 56 -24.723 -4.220 1.739 446 HE21 GLN 56 HE21 GLN 56 -23.786 -1.837 -0.598 447 HE22 GLN 56 HE22 GLN 56 -25.156 -0.804 -0.401 448 H GLU 57 HN GLU 57 -19.865 -3.148 2.103 449 HA GLU 57 HA GLU 57 -19.251 -2.287 4.750 450 HB2 GLU 57 HB2 GLU 57 -17.503 -3.614 2.673 451 HB3 GLU 57 HB1 GLU 57 -17.091 -3.420 4.371 452 HG2 GLU 57 HG2 GLU 57 -18.960 -4.825 5.011 453 HG3 GLU 57 HG1 GLU 57 -19.444 -4.976 3.323 454 H LEU 58 HN LEU 58 -17.896 -1.467 1.552 455 HA LEU 58 HA LEU 58 -16.015 0.396 2.521 456 HB2 LEU 58 HB2 LEU 58 -16.054 -0.649 0.226 457 HB3 LEU 58 HB1 LEU 58 -17.353 0.456 -0.184 458 HG LEU 58 HG LEU 58 -15.310 2.075 0.847 459 HD11 LEU 58 HD11 LEU 58 -14.221 0.016 -1.064 460 HD12 LEU 58 HD12 LEU 58 -13.737 0.247 0.616 461 HD13 LEU 58 HD13 LEU 58 -13.400 1.499 -0.579 462 HD21 LEU 58 HD21 LEU 58 -15.244 2.977 -1.390 463 HD22 LEU 58 HD22 LEU 58 -16.911 2.597 -0.959 464 HD23 LEU 58 HD23 LEU 58 -16.012 1.527 -2.033 465 H GLY 59 HN GLY 59 -19.412 0.544 2.150 466 HA2 GLY 59 HA2 GLY 59 -19.750 3.327 1.754 467 HA3 GLY 59 HA1 GLY 59 -20.946 2.234 2.438 468 H THR 60 HN THR 60 -18.919 1.437 4.519 469 HA THR 60 HA THR 60 -19.554 3.573 6.391 470 HB THR 60 HB THR 60 -18.163 0.953 6.978 471 HG1 THR 60 HG1 THR 60 -20.474 1.015 6.036 472 HG21 THR 60 HG21 THR 60 -18.959 1.345 9.261 473 HG22 THR 60 HG22 THR 60 -19.680 2.872 8.752 474 HG23 THR 60 HG23 THR 60 -17.929 2.667 8.712 475 H ALA 61 HN ALA 61 -16.924 2.340 4.565 476 HA ALA 61 HA ALA 61 -14.794 3.378 6.154 477 HB1 ALA 61 HB1 ALA 61 -13.388 2.907 4.219 478 HB2 ALA 61 HB2 ALA 61 -14.824 2.648 3.228 479 HB3 ALA 61 HB3 ALA 61 -14.463 1.550 4.560 480 H MET 62 HN MET 62 -16.615 4.577 3.372 481 HA MET 62 HA MET 62 -15.046 6.899 2.963 482 HB2 MET 62 HB2 MET 62 -17.882 6.250 2.158 483 HB3 MET 62 HB1 MET 62 -17.007 7.677 1.619 484 HG2 MET 62 HG2 MET 62 -16.224 4.819 1.094 485 HG3 MET 62 HG1 MET 62 -16.971 5.920 -0.061 486 HE1 MET 62 HE1 MET 62 -15.764 8.107 -1.008 487 HE2 MET 62 HE2 MET 62 -14.152 8.618 -0.511 488 HE3 MET 62 HE3 MET 62 -15.484 8.658 0.643 489 H ARG 63 HN ARG 63 -18.140 6.380 4.655 490 HA ARG 63 HA ARG 63 -18.629 9.031 5.362 491 HB2 ARG 63 HB2 ARG 63 -20.083 8.155 7.108 492 HB3 ARG 63 HB1 ARG 63 -20.286 7.237 5.623 493 HG2 ARG 63 HG2 ARG 63 -18.887 5.458 6.520 494 HG3 ARG 63 HG1 ARG 63 -18.658 6.382 8.006 495 HD2 ARG 63 HD2 ARG 63 -20.373 4.679 8.300 496 HD3 ARG 63 HD1 ARG 63 -21.062 6.296 8.433 497 HE ARG 63 HE ARG 63 -21.541 5.778 5.880 498 HH11 ARG 63 HH11 ARG 63 -21.943 3.743 8.681 499 HH12 ARG 63 HH12 ARG 63 -23.263 2.851 8.002 500 HH21 ARG 63 HH21 ARG 63 -23.280 4.611 4.980 501 HH22 ARG 63 HH22 ARG 63 -24.026 3.346 5.900 502 H SER 64 HN SER 64 -16.369 6.751 6.653 503 HA SER 64 HA SER 64 -15.925 7.872 9.184 504 HB2 SER 64 HB2 SER 64 -15.043 5.673 8.544 505 HB3 SER 64 HB1 SER 64 -13.963 6.436 7.377 506 HG SER 64 HG SER 64 -13.712 7.518 9.856 507 H LEU 65 HN LEU 65 -14.452 8.571 6.039 508 HA LEU 65 HA LEU 65 -12.616 10.504 7.024 509 HB2 LEU 65 HB2 LEU 65 -13.683 10.434 4.216 510 HB3 LEU 65 HB1 LEU 65 -12.102 10.953 4.766 511 HG LEU 65 HG LEU 65 -13.103 8.104 4.736 512 HD11 LEU 65 HD11 LEU 65 -11.067 9.500 3.007 513 HD12 LEU 65 HD12 LEU 65 -12.670 8.966 2.502 514 HD13 LEU 65 HD13 LEU 65 -11.451 7.778 2.968 515 HD21 LEU 65 HD21 LEU 65 -10.801 7.515 5.326 516 HD22 LEU 65 HD22 LEU 65 -11.559 8.497 6.580 517 HD23 LEU 65 HD23 LEU 65 -10.400 9.227 5.470 518 H GLY 66 HN GLY 66 -15.971 10.576 6.439 519 HA2 GLY 66 HA2 GLY 66 -17.124 12.531 7.408 520 HA3 GLY 66 HA1 GLY 66 -15.938 13.529 6.579 521 H TYR 67 HN TYR 67 -16.822 10.898 4.698 522 HA TYR 67 HA TYR 67 -18.839 12.500 3.263 523 HB2 TYR 67 HB2 TYR 67 -16.835 10.603 2.021 524 HB3 TYR 67 HB1 TYR 67 -17.991 11.617 1.165 525 HD1 TYR 67 HD2 TYR 67 -17.681 14.087 1.141 526 HD2 TYR 67 HD1 TYR 67 -14.747 11.468 2.768 527 HE1 TYR 67 HE2 TYR 67 -16.010 15.887 1.009 528 HE2 TYR 67 HE1 TYR 67 -13.069 13.263 2.641 529 HH TYR 67 HH TYR 67 -13.889 16.511 2.053 530 H MET 68 HN MET 68 -20.665 11.508 4.033 531 HA MET 68 HA MET 68 -20.869 8.641 4.195 532 HB2 MET 68 HB2 MET 68 -22.030 10.185 5.771 533 HB3 MET 68 HB1 MET 68 -23.055 10.714 4.445 534 HG2 MET 68 HG2 MET 68 -22.885 7.827 5.221 535 HG3 MET 68 HG1 MET 68 -23.952 8.945 6.067 536 HE1 MET 68 HE1 MET 68 -26.426 10.061 3.282 537 HE2 MET 68 HE2 MET 68 -24.952 10.890 3.784 538 HE3 MET 68 HE3 MET 68 -26.003 10.152 4.992 539 HA PRO 69 HA PRO 69 -22.295 8.519 -0.092 540 HB2 PRO 69 HB2 PRO 69 -21.540 6.029 -0.640 541 HB3 PRO 69 HB1 PRO 69 -20.338 7.308 -0.432 542 HG2 PRO 69 HG2 PRO 69 -21.149 5.143 1.453 543 HG3 PRO 69 HG1 PRO 69 -19.544 5.833 1.159 544 HD2 PRO 69 HD2 PRO 69 -21.272 6.507 3.262 545 HD3 PRO 69 HD1 PRO 69 -19.850 7.431 2.742 546 H ASN 70 HN ASN 70 -24.130 7.699 -1.083 547 HA ASN 70 HA ASN 70 -25.931 6.200 0.661 548 HB2 ASN 70 HB2 ASN 70 -27.668 6.829 -1.068 549 HB3 ASN 70 HB1 ASN 70 -26.953 8.171 -0.180 550 HD21 ASN 70 HD21 ASN 70 -25.587 9.585 -1.230 551 HD22 ASN 70 HD22 ASN 70 -25.471 9.651 -2.950 552 H GLU 71 HN GLU 71 -27.597 4.907 -0.960 553 HA GLU 71 HA GLU 71 -26.207 2.570 -1.641 554 HB2 GLU 71 HB2 GLU 71 -28.332 1.823 -2.638 555 HB3 GLU 71 HB1 GLU 71 -28.565 2.543 -1.050 556 HG2 GLU 71 HG2 GLU 71 -29.326 4.607 -2.070 557 HG3 GLU 71 HG1 GLU 71 -29.030 3.942 -3.676 558 H VAL 72 HN VAL 72 -26.883 5.425 -3.483 559 HA VAL 72 HA VAL 72 -26.367 4.146 -6.036 560 HB VAL 72 HB VAL 72 -26.640 7.102 -5.511 561 HG11 VAL 72 HG11 VAL 72 -27.117 5.439 -7.981 562 HG12 VAL 72 HG12 VAL 72 -25.736 6.497 -7.693 563 HG13 VAL 72 HG13 VAL 72 -27.353 7.182 -7.846 564 HG21 VAL 72 HG21 VAL 72 -28.813 5.084 -6.064 565 HG22 VAL 72 HG22 VAL 72 -29.024 6.836 -6.073 566 HG23 VAL 72 HG23 VAL 72 -28.587 6.008 -4.579 567 H GLU 73 HN GLU 73 -24.564 5.742 -3.589 568 HA GLU 73 HA GLU 73 -22.424 6.567 -5.355 569 HB2 GLU 73 HB2 GLU 73 -22.708 6.625 -2.351 570 HB3 GLU 73 HB1 GLU 73 -21.289 7.208 -3.209 571 HG2 GLU 73 HG2 GLU 73 -24.089 8.265 -3.528 572 HG3 GLU 73 HG1 GLU 73 -22.799 9.022 -2.594 573 H LEU 74 HN LEU 74 -22.789 4.197 -2.716 574 HA LEU 74 HA LEU 74 -20.226 3.133 -2.822 575 HB2 LEU 74 HB2 LEU 74 -21.324 1.041 -1.877 576 HB3 LEU 74 HB1 LEU 74 -21.499 2.529 -0.971 577 HG LEU 74 HG LEU 74 -23.777 2.754 -2.153 578 HD11 LEU 74 HD11 LEU 74 -23.388 1.012 -3.834 579 HD12 LEU 74 HD12 LEU 74 -24.806 0.671 -2.845 580 HD13 LEU 74 HD13 LEU 74 -23.298 -0.194 -2.550 581 HD21 LEU 74 HD21 LEU 74 -24.847 1.344 -0.459 582 HD22 LEU 74 HD22 LEU 74 -23.520 2.288 0.219 583 HD23 LEU 74 HD23 LEU 74 -23.295 0.573 -0.128 584 H GLU 75 HN GLU 75 -22.642 2.923 -5.187 585 HA GLU 75 HA GLU 75 -21.732 0.390 -6.272 586 HB2 GLU 75 HB2 GLU 75 -23.774 2.387 -7.251 587 HB3 GLU 75 HB1 GLU 75 -23.390 0.888 -8.086 588 HG2 GLU 75 HG2 GLU 75 -24.094 -0.376 -6.102 589 HG3 GLU 75 HG1 GLU 75 -24.526 1.139 -5.311 590 H VAL 76 HN VAL 76 -21.265 3.812 -6.863 591 HA VAL 76 HA VAL 76 -19.918 3.300 -9.387 592 HB VAL 76 HB VAL 76 -19.688 5.713 -9.591 593 HG11 VAL 76 HG11 VAL 76 -22.072 6.301 -9.669 594 HG12 VAL 76 HG12 VAL 76 -22.447 4.864 -8.717 595 HG13 VAL 76 HG13 VAL 76 -21.764 4.698 -10.335 596 HG21 VAL 76 HG21 VAL 76 -20.566 7.236 -7.917 597 HG22 VAL 76 HG22 VAL 76 -19.309 6.219 -7.212 598 HG23 VAL 76 HG23 VAL 76 -21.007 5.878 -6.883 599 H ILE 77 HN ILE 77 -19.110 3.868 -6.075 600 HA ILE 77 HA ILE 77 -16.385 4.646 -6.600 601 HB ILE 77 HB ILE 77 -17.716 3.830 -4.014 602 HG12 ILE 77 HG12 ILE 77 -16.947 6.637 -4.523 603 HG13 ILE 77 HG11 ILE 77 -18.271 6.029 -5.511 604 HG21 ILE 77 HG21 ILE 77 -15.324 3.540 -3.858 605 HG22 ILE 77 HG22 ILE 77 -15.804 4.967 -2.940 606 HG23 ILE 77 HG23 ILE 77 -15.053 5.149 -4.525 607 HD11 ILE 77 HD11 ILE 77 -19.118 7.107 -3.530 608 HD12 ILE 77 HD12 ILE 77 -18.154 6.041 -2.508 609 HD13 ILE 77 HD13 ILE 77 -19.469 5.380 -3.480 610 H ILE 78 HN ILE 78 -18.098 1.679 -6.175 611 HA ILE 78 HA ILE 78 -15.697 0.176 -5.514 612 HB ILE 78 HB ILE 78 -18.578 -0.644 -5.842 613 HG12 ILE 78 HG12 ILE 78 -17.937 0.574 -3.776 614 HG13 ILE 78 HG11 ILE 78 -18.472 -1.071 -3.455 615 HG21 ILE 78 HG21 ILE 78 -16.193 -2.398 -5.268 616 HG22 ILE 78 HG22 ILE 78 -17.270 -2.488 -6.661 617 HG23 ILE 78 HG23 ILE 78 -17.873 -2.889 -5.053 618 HD11 ILE 78 HD11 ILE 78 -16.168 -1.789 -3.199 619 HD12 ILE 78 HD12 ILE 78 -16.539 -0.456 -2.106 620 HD13 ILE 78 HD13 ILE 78 -15.607 -0.159 -3.572 621 H GLN 79 HN GLN 79 -17.398 1.107 -8.345 622 HA GLN 79 HA GLN 79 -16.580 -1.192 -9.900 623 HB2 GLN 79 HB2 GLN 79 -17.636 -0.107 -11.772 624 HB3 GLN 79 HB1 GLN 79 -18.695 0.022 -10.376 625 HG2 GLN 79 HG2 GLN 79 -18.040 2.314 -10.036 626 HG3 GLN 79 HG1 GLN 79 -16.861 2.202 -11.341 627 HE21 GLN 79 HE21 GLN 79 -17.792 3.849 -12.520 628 HE22 GLN 79 HE22 GLN 79 -19.305 3.674 -13.333 629 H ARG 80 HN ARG 80 -15.171 1.698 -8.873 630 HA ARG 80 HA ARG 80 -13.421 2.059 -11.141 631 HB2 ARG 80 HB2 ARG 80 -13.244 3.293 -8.387 632 HB3 ARG 80 HB1 ARG 80 -12.398 3.833 -9.830 633 HG2 ARG 80 HG2 ARG 80 -15.386 3.847 -9.466 634 HG3 ARG 80 HG1 ARG 80 -14.326 5.243 -9.273 635 HD2 ARG 80 HD2 ARG 80 -13.655 5.079 -11.606 636 HD3 ARG 80 HD1 ARG 80 -14.655 3.642 -11.810 637 HE ARG 80 HE ARG 80 -16.281 5.714 -10.878 638 HH11 ARG 80 HH11 ARG 80 -14.440 4.875 -13.716 639 HH12 ARG 80 HH12 ARG 80 -15.471 5.748 -14.799 640 HH21 ARG 80 HH21 ARG 80 -17.641 6.866 -12.296 641 HH22 ARG 80 HH22 ARG 80 -17.290 6.882 -13.991 642 H LEU 81 HN LEU 81 -13.018 1.045 -7.754 643 HA LEU 81 HA LEU 81 -10.278 0.335 -8.073 644 HB2 LEU 81 HB2 LEU 81 -12.038 -0.785 -5.922 645 HB3 LEU 81 HB1 LEU 81 -10.339 -0.359 -5.843 646 HG LEU 81 HG LEU 81 -12.665 1.564 -5.925 647 HD11 LEU 81 HD11 LEU 81 -12.376 0.465 -3.774 648 HD12 LEU 81 HD12 LEU 81 -11.919 2.165 -3.677 649 HD13 LEU 81 HD13 LEU 81 -10.672 0.920 -3.757 650 HD21 LEU 81 HD21 LEU 81 -9.699 2.101 -5.851 651 HD22 LEU 81 HD22 LEU 81 -10.955 3.311 -5.597 652 HD23 LEU 81 HD23 LEU 81 -10.812 2.504 -7.158 653 H ASP 82 HN ASP 82 -13.310 -1.479 -8.076 654 HA ASP 82 HA ASP 82 -12.118 -4.048 -8.257 655 HB2 ASP 82 HB2 ASP 82 -14.404 -3.737 -7.448 656 HB3 ASP 82 HB1 ASP 82 -14.893 -3.124 -9.024 657 H MET 83 HN MET 83 -10.534 -3.752 -9.923 658 HA MET 83 HA MET 83 -11.339 -3.147 -12.610 659 HB2 MET 83 HB2 MET 83 -8.748 -4.272 -11.534 660 HB3 MET 83 HB1 MET 83 -9.005 -3.747 -13.192 661 HG2 MET 83 HG2 MET 83 -9.456 -1.475 -12.387 662 HG3 MET 83 HG1 MET 83 -9.144 -2.012 -10.737 663 HE1 MET 83 HE1 MET 83 -7.620 -1.438 -14.300 664 HE2 MET 83 HE2 MET 83 -7.239 -3.135 -14.011 665 HE3 MET 83 HE3 MET 83 -5.945 -1.939 -14.067 666 H ASP 84 HN ASP 84 -10.368 -6.101 -10.890 667 HA ASP 84 HA ASP 84 -10.595 -7.799 -13.146 668 HB2 ASP 84 HB2 ASP 84 -10.598 -9.644 -11.445 669 HB3 ASP 84 HB1 ASP 84 -9.251 -8.520 -11.297 670 H GLY 85 HN GLY 85 -12.949 -6.235 -11.354 671 HA2 GLY 85 HA2 GLY 85 -15.238 -6.323 -11.439 672 HA3 GLY 85 HA1 GLY 85 -15.070 -7.435 -12.786 673 H ASP 86 HN ASP 86 -13.754 -8.067 -9.586 674 HA ASP 86 HA ASP 86 -15.207 -10.543 -9.459 675 HB2 ASP 86 HB2 ASP 86 -13.962 -11.001 -7.467 676 HB3 ASP 86 HB1 ASP 86 -12.858 -10.227 -8.599 677 H GLY 87 HN GLY 87 -15.864 -7.358 -8.568 678 HA2 GLY 87 HA2 GLY 87 -18.082 -6.775 -7.849 679 HA3 GLY 87 HA1 GLY 87 -18.132 -8.270 -6.928 680 H GLN 88 HN GLN 88 -15.424 -7.883 -5.878 681 HA GLN 88 HA GLN 88 -15.980 -5.703 -3.974 682 HB2 GLN 88 HB2 GLN 88 -14.553 -8.318 -3.466 683 HB3 GLN 88 HB1 GLN 88 -14.775 -7.034 -2.285 684 HG2 GLN 88 HG2 GLN 88 -17.188 -7.325 -2.401 685 HG3 GLN 88 HG1 GLN 88 -16.983 -8.592 -3.611 686 HE21 GLN 88 HE21 GLN 88 -16.614 -7.731 -0.262 687 HE22 GLN 88 HE22 GLN 88 -16.401 -9.338 0.337 688 H VAL 89 HN VAL 89 -13.844 -5.103 -2.760 689 HA VAL 89 HA VAL 89 -11.868 -4.507 -4.845 690 HB VAL 89 HB VAL 89 -12.250 -3.204 -2.146 691 HG11 VAL 89 HG11 VAL 89 -10.463 -2.461 -4.459 692 HG12 VAL 89 HG12 VAL 89 -9.945 -3.063 -2.885 693 HG13 VAL 89 HG13 VAL 89 -10.719 -1.485 -3.013 694 HG21 VAL 89 HG21 VAL 89 -12.972 -2.208 -4.901 695 HG22 VAL 89 HG22 VAL 89 -13.166 -1.320 -3.388 696 HG23 VAL 89 HG23 VAL 89 -14.112 -2.780 -3.683 697 H ASP 90 HN ASP 90 -9.983 -5.519 -4.855 698 HA ASP 90 HA ASP 90 -9.213 -7.159 -2.586 699 HB2 ASP 90 HB2 ASP 90 -8.063 -6.856 -5.363 700 HB3 ASP 90 HB1 ASP 90 -7.374 -7.913 -4.136 701 H PHE 91 HN PHE 91 -7.249 -7.020 -1.503 702 HA PHE 91 HA PHE 91 -6.371 -4.504 -0.764 703 HB2 PHE 91 HB2 PHE 91 -6.035 -6.455 0.631 704 HB3 PHE 91 HB1 PHE 91 -4.958 -7.168 -0.563 705 HD1 PHE 91 HD2 PHE 91 -5.191 -3.821 1.090 706 HD2 PHE 91 HD1 PHE 91 -2.794 -7.213 0.155 707 HE1 PHE 91 HE2 PHE 91 -3.267 -2.763 2.198 708 HE2 PHE 91 HE1 PHE 91 -0.867 -6.161 1.265 709 HZ PHE 91 HZ PHE 91 -1.102 -3.935 2.288 710 H GLU 92 HN GLU 92 -5.189 -6.580 -3.342 711 HA GLU 92 HA GLU 92 -2.769 -5.134 -3.788 712 HB2 GLU 92 HB2 GLU 92 -4.306 -6.984 -5.624 713 HB3 GLU 92 HB1 GLU 92 -2.674 -6.397 -5.915 714 HG2 GLU 92 HG2 GLU 92 -1.909 -7.525 -3.885 715 HG3 GLU 92 HG1 GLU 92 -3.544 -8.125 -3.610 716 H GLU 93 HN GLU 93 -5.880 -5.200 -5.540 717 HA GLU 93 HA GLU 93 -5.257 -3.245 -7.423 718 HB2 GLU 93 HB2 GLU 93 -7.947 -3.861 -6.189 719 HB3 GLU 93 HB1 GLU 93 -7.688 -2.970 -7.684 720 HG2 GLU 93 HG2 GLU 93 -6.807 -4.905 -8.767 721 HG3 GLU 93 HG1 GLU 93 -6.802 -5.811 -7.255 722 H PHE 94 HN PHE 94 -5.881 -2.945 -4.064 723 HA PHE 94 HA PHE 94 -6.597 -0.134 -4.229 724 HB2 PHE 94 HB2 PHE 94 -7.692 -1.625 -2.578 725 HB3 PHE 94 HB1 PHE 94 -6.137 -1.865 -1.792 726 HD1 PHE 94 HD1 PHE 94 -7.860 1.187 -3.085 727 HD2 PHE 94 HD2 PHE 94 -6.165 -0.834 0.256 728 HE1 PHE 94 HE1 PHE 94 -8.272 3.166 -1.684 729 HE2 PHE 94 HE2 PHE 94 -6.574 1.144 1.663 730 HZ PHE 94 HZ PHE 94 -7.628 3.146 0.694 731 H VAL 95 HN VAL 95 -3.920 -2.097 -2.929 732 HA VAL 95 HA VAL 95 -2.398 -0.027 -1.867 733 HB VAL 95 HB VAL 95 -0.406 -1.531 -2.290 734 HG11 VAL 95 HG11 VAL 95 -2.799 -2.669 -0.868 735 HG12 VAL 95 HG12 VAL 95 -1.615 -1.548 -0.197 736 HG13 VAL 95 HG13 VAL 95 -1.129 -3.185 -0.635 737 HG21 VAL 95 HG21 VAL 95 -0.897 -3.835 -2.966 738 HG22 VAL 95 HG22 VAL 95 -1.196 -2.677 -4.262 739 HG23 VAL 95 HG23 VAL 95 -2.547 -3.350 -3.353 740 H THR 96 HN THR 96 -2.702 -1.094 -5.204 741 HA THR 96 HA THR 96 -0.434 0.399 -6.125 742 HB THR 96 HB THR 96 -2.710 -0.799 -7.714 743 HG1 THR 96 HG1 THR 96 -1.244 -2.530 -8.005 744 HG21 THR 96 HG21 THR 96 -1.499 0.914 -8.966 745 HG22 THR 96 HG22 THR 96 -1.144 -0.692 -9.603 746 HG23 THR 96 HG23 THR 96 0.033 0.130 -8.577 747 H LEU 97 HN LEU 97 -3.964 0.841 -6.285 748 HA LEU 97 HA LEU 97 -3.937 3.205 -7.791 749 HB2 LEU 97 HB2 LEU 97 -5.926 2.173 -5.777 750 HB3 LEU 97 HB1 LEU 97 -6.203 3.595 -6.764 751 HG LEU 97 HG LEU 97 -5.730 0.816 -7.848 752 HD11 LEU 97 HD11 LEU 97 -8.120 0.870 -8.417 753 HD12 LEU 97 HD12 LEU 97 -8.281 2.394 -7.544 754 HD13 LEU 97 HD13 LEU 97 -7.846 0.920 -6.676 755 HD21 LEU 97 HD21 LEU 97 -5.013 2.601 -9.362 756 HD22 LEU 97 HD22 LEU 97 -6.600 3.358 -9.221 757 HD23 LEU 97 HD23 LEU 97 -6.444 1.771 -9.973 758 H LEU 98 HN LEU 98 -3.031 2.670 -4.534 759 HA LEU 98 HA LEU 98 -3.195 5.554 -3.973 760 HB2 LEU 98 HB2 LEU 98 -3.002 4.968 -1.605 761 HB3 LEU 98 HB1 LEU 98 -4.389 4.204 -2.356 762 HG LEU 98 HG LEU 98 -2.714 2.174 -2.616 763 HD11 LEU 98 HD11 LEU 98 -0.756 3.305 -1.761 764 HD12 LEU 98 HD12 LEU 98 -1.229 2.011 -0.661 765 HD13 LEU 98 HD13 LEU 98 -1.600 3.689 -0.261 766 HD21 LEU 98 HD21 LEU 98 -4.824 2.136 -1.396 767 HD22 LEU 98 HD22 LEU 98 -4.048 2.914 -0.016 768 HD23 LEU 98 HD23 LEU 98 -3.559 1.292 -0.504 769 H GLY 99 HN GLY 99 -1.043 3.057 -4.733 770 HA2 GLY 99 HA2 GLY 99 1.228 4.530 -3.561 771 HA3 GLY 99 HA1 GLY 99 1.259 2.833 -4.016 772 HA PRO 100 HA PRO 100 2.714 5.714 -7.544 773 HB2 PRO 100 HB2 PRO 100 5.394 5.672 -7.205 774 HB3 PRO 100 HB1 PRO 100 4.362 6.881 -6.434 775 HG2 PRO 100 HG2 PRO 100 5.532 4.379 -5.282 776 HG3 PRO 100 HG1 PRO 100 5.416 5.995 -4.561 777 HD2 PRO 100 HD2 PRO 100 3.695 3.975 -3.965 778 HD3 PRO 100 HD1 PRO 100 3.230 5.687 -3.920 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -5.912 25.481 15.387 2 H2 MET 1 HT2 MET 1 -4.706 24.613 14.579 3 H3 MET 1 HT3 MET 1 -6.002 23.794 15.294 4 HA MET 1 HA MET 1 -7.544 24.810 13.762 5 HB2 MET 1 HB2 MET 1 -5.028 26.134 12.768 6 HB3 MET 1 HB1 MET 1 -6.455 25.979 11.752 7 HG2 MET 1 HG2 MET 1 -6.365 27.367 14.420 8 HG3 MET 1 HG1 MET 1 -6.304 28.165 12.850 9 HE1 MET 1 HE1 MET 1 -8.403 29.055 14.990 10 HE2 MET 1 HE2 MET 1 -9.883 29.140 14.032 11 HE3 MET 1 HE3 MET 1 -8.360 29.719 13.356 12 HA PRO 2 HA PRO 2 -5.728 20.920 12.008 13 HB2 PRO 2 HB2 PRO 2 -7.958 19.414 12.329 14 HB3 PRO 2 HB1 PRO 2 -6.766 19.639 13.615 15 HG2 PRO 2 HG2 PRO 2 -9.387 21.027 13.198 16 HG3 PRO 2 HG1 PRO 2 -8.685 20.390 14.697 17 HD2 PRO 2 HD2 PRO 2 -8.598 23.020 14.048 18 HD3 PRO 2 HD1 PRO 2 -7.318 22.224 14.985 19 H PHE 3 HN PHE 3 -8.083 23.142 11.190 20 HA PHE 3 HA PHE 3 -9.406 21.862 9.050 21 HB2 PHE 3 HB2 PHE 3 -8.847 24.812 9.429 22 HB3 PHE 3 HB1 PHE 3 -10.051 24.119 8.347 23 HD1 PHE 3 HD2 PHE 3 -12.100 23.154 9.218 24 HD2 PHE 3 HD1 PHE 3 -9.209 24.900 11.807 25 HE1 PHE 3 HE2 PHE 3 -13.764 23.211 11.029 26 HE2 PHE 3 HE1 PHE 3 -10.868 24.960 13.624 27 HZ PHE 3 HZ PHE 3 -13.148 24.115 13.236 28 H HIS 4 HN HIS 4 -6.257 23.224 9.365 29 HA HIS 4 HA HIS 4 -5.818 23.592 6.542 30 HB2 HIS 4 HB2 HIS 4 -3.947 23.650 8.914 31 HB3 HIS 4 HB1 HIS 4 -3.435 23.966 7.260 32 HD1 HIS 4 HD1 HIS 4 -3.462 26.350 6.610 33 HD2 HIS 4 HD2 HIS 4 -6.094 25.573 9.731 34 HE1 HIS 4 HE1 HIS 4 -4.402 28.587 7.270 35 HE2 HIS 4 HE2 HIS 4 -6.053 28.082 9.105 36 HA PRO 5 HA PRO 5 -4.885 19.190 6.104 37 HB2 PRO 5 HB2 PRO 5 -4.744 19.155 3.413 38 HB3 PRO 5 HB1 PRO 5 -6.287 19.229 4.271 39 HG2 PRO 5 HG2 PRO 5 -4.723 21.442 2.994 40 HG3 PRO 5 HG1 PRO 5 -6.466 21.120 2.924 41 HD2 PRO 5 HD2 PRO 5 -5.372 22.969 4.587 42 HD3 PRO 5 HD1 PRO 5 -6.852 22.074 4.981 43 H VAL 6 HN VAL 6 -2.854 18.751 6.765 44 HA VAL 6 HA VAL 6 -0.600 19.876 5.253 45 HB VAL 6 HB VAL 6 0.815 19.235 7.142 46 HG11 VAL 6 HG11 VAL 6 -0.232 21.439 7.147 47 HG12 VAL 6 HG12 VAL 6 -0.060 20.817 8.788 48 HG13 VAL 6 HG13 VAL 6 -1.633 20.781 7.991 49 HG21 VAL 6 HG21 VAL 6 -0.189 18.386 9.218 50 HG22 VAL 6 HG22 VAL 6 -0.387 17.254 7.880 51 HG23 VAL 6 HG23 VAL 6 -1.745 18.250 8.401 52 H THR 7 HN THR 7 -2.458 17.238 5.124 53 HA THR 7 HA THR 7 -0.289 15.306 4.747 54 HB THR 7 HB THR 7 -3.278 14.846 4.647 55 HG1 THR 7 HG1 THR 7 -2.263 15.482 6.741 56 HG21 THR 7 HG21 THR 7 -2.656 12.470 4.899 57 HG22 THR 7 HG22 THR 7 -0.956 12.917 4.768 58 HG23 THR 7 HG23 THR 7 -2.041 13.165 3.399 59 H ALA 8 HN ALA 8 -3.259 16.255 3.004 60 HA ALA 8 HA ALA 8 -2.168 15.280 0.507 61 HB1 ALA 8 HB1 ALA 8 -4.329 15.898 -0.441 62 HB2 ALA 8 HB2 ALA 8 -4.775 16.692 1.069 63 HB3 ALA 8 HB3 ALA 8 -4.535 14.944 1.029 64 H ALA 9 HN ALA 9 -0.709 16.488 -0.512 65 HA ALA 9 HA ALA 9 -0.744 19.381 -0.280 66 HB1 ALA 9 HB1 ALA 9 1.163 17.607 -1.800 67 HB2 ALA 9 HB2 ALA 9 1.380 18.143 -0.135 68 HB3 ALA 9 HB3 ALA 9 1.377 19.321 -1.447 69 H LEU 10 HN LEU 10 -0.301 17.260 -3.115 70 HA LEU 10 HA LEU 10 -0.925 17.515 -5.294 71 HB2 LEU 10 HB2 LEU 10 -3.422 18.438 -3.876 72 HB3 LEU 10 HB1 LEU 10 -3.341 18.190 -5.608 73 HG LEU 10 HG LEU 10 -4.367 16.267 -4.633 74 HD11 LEU 10 HD11 LEU 10 -2.868 14.483 -5.330 75 HD12 LEU 10 HD12 LEU 10 -1.508 15.605 -5.317 76 HD13 LEU 10 HD13 LEU 10 -2.823 15.826 -6.472 77 HD21 LEU 10 HD21 LEU 10 -1.944 16.009 -2.859 78 HD22 LEU 10 HD22 LEU 10 -3.329 14.919 -2.911 79 HD23 LEU 10 HD23 LEU 10 -3.532 16.577 -2.345 80 H MET 11 HN MET 11 0.562 19.681 -4.214 81 HA MET 11 HA MET 11 -0.613 22.158 -5.055 82 HB2 MET 11 HB2 MET 11 1.622 23.105 -4.582 83 HB3 MET 11 HB1 MET 11 0.994 22.156 -3.242 84 HG2 MET 11 HG2 MET 11 2.405 20.288 -3.871 85 HG3 MET 11 HG1 MET 11 3.001 21.188 -5.264 86 HE1 MET 11 HE1 MET 11 5.470 20.665 -4.484 87 HE2 MET 11 HE2 MET 11 4.911 19.824 -3.038 88 HE3 MET 11 HE3 MET 11 6.123 21.098 -2.905 89 H TYR 12 HN TYR 12 1.294 23.504 -6.408 90 HA TYR 12 HA TYR 12 0.870 22.766 -9.068 91 HB2 TYR 12 HB2 TYR 12 2.999 24.565 -7.892 92 HB3 TYR 12 HB1 TYR 12 2.609 24.464 -9.605 93 HD1 TYR 12 HD1 TYR 12 1.253 25.413 -6.290 94 HD2 TYR 12 HD2 TYR 12 0.791 25.676 -10.512 95 HE1 TYR 12 HE1 TYR 12 -0.481 27.130 -5.987 96 HE2 TYR 12 HE2 TYR 12 -0.943 27.396 -10.220 97 HH TYR 12 HH TYR 12 -2.544 28.120 -8.473 98 H ARG 13 HN ARG 13 3.844 22.504 -7.122 99 HA ARG 13 HA ARG 13 5.154 20.945 -9.168 100 HB2 ARG 13 HB2 ARG 13 6.022 21.637 -6.355 101 HB3 ARG 13 HB1 ARG 13 7.034 20.864 -7.568 102 HG2 ARG 13 HG2 ARG 13 6.974 22.817 -8.954 103 HG3 ARG 13 HG1 ARG 13 5.794 23.587 -7.892 104 HD2 ARG 13 HD2 ARG 13 7.997 24.495 -7.472 105 HD3 ARG 13 HD1 ARG 13 7.450 23.570 -6.074 106 HE ARG 13 HE ARG 13 8.951 21.870 -7.706 107 HH11 ARG 13 HH11 ARG 13 9.394 24.703 -5.724 108 HH12 ARG 13 HH12 ARG 13 11.043 24.337 -5.344 109 HH21 ARG 13 HH21 ARG 13 11.124 21.383 -7.214 110 HH22 ARG 13 HH22 ARG 13 12.027 22.450 -6.192 111 H GLY 14 HN GLY 14 3.302 19.337 -9.037 112 HA2 GLY 14 HA2 GLY 14 4.031 17.244 -7.087 113 HA3 GLY 14 HA1 GLY 14 2.350 17.611 -7.445 114 H ILE 15 HN ILE 15 3.058 18.077 -10.317 115 HA ILE 15 HA ILE 15 2.527 15.455 -11.251 116 HB ILE 15 HB ILE 15 1.734 17.405 -12.475 117 HG12 ILE 15 HG12 ILE 15 2.495 16.761 -14.765 118 HG13 ILE 15 HG11 ILE 15 3.729 15.742 -14.028 119 HG21 ILE 15 HG21 ILE 15 4.642 17.970 -13.030 120 HG22 ILE 15 HG22 ILE 15 3.563 18.930 -12.019 121 HG23 ILE 15 HG23 ILE 15 3.277 18.819 -13.754 122 HD11 ILE 15 HD11 ILE 15 1.818 14.431 -14.730 123 HD12 ILE 15 HD12 ILE 15 0.753 15.417 -13.728 124 HD13 ILE 15 HD13 ILE 15 1.980 14.401 -12.973 125 H TYR 16 HN TYR 16 3.824 13.926 -12.120 126 HA TYR 16 HA TYR 16 6.599 13.975 -11.494 127 HB2 TYR 16 HB2 TYR 16 5.140 12.033 -13.295 128 HB3 TYR 16 HB1 TYR 16 6.677 11.767 -12.480 129 HD1 TYR 16 HD2 TYR 16 6.717 11.552 -9.984 130 HD2 TYR 16 HD1 TYR 16 3.081 11.638 -12.189 131 HE1 TYR 16 HE2 TYR 16 5.531 10.593 -8.055 132 HE2 TYR 16 HE1 TYR 16 1.884 10.680 -10.267 133 HH TYR 16 HH TYR 16 3.238 10.497 -7.165 134 H THR 17 HN THR 17 4.729 14.408 -14.439 135 HA THR 17 HA THR 17 5.369 14.780 -16.618 136 HB THR 17 HB THR 17 5.233 17.011 -15.660 137 HG1 THR 17 HG1 THR 17 5.920 17.672 -17.538 138 HG21 THR 17 HG21 THR 17 7.258 18.194 -14.911 139 HG22 THR 17 HG22 THR 17 8.179 16.698 -15.066 140 HG23 THR 17 HG23 THR 17 6.881 16.817 -13.878 141 H VAL 18 HN VAL 18 6.831 12.635 -15.840 142 HA VAL 18 HA VAL 18 9.623 13.159 -16.495 143 HB VAL 18 HB VAL 18 8.278 10.564 -15.735 144 HG11 VAL 18 HG11 VAL 18 10.566 9.751 -15.336 145 HG12 VAL 18 HG12 VAL 18 11.198 11.260 -15.994 146 HG13 VAL 18 HG13 VAL 18 10.284 10.162 -17.028 147 HG21 VAL 18 HG21 VAL 18 8.199 12.177 -13.920 148 HG22 VAL 18 HG22 VAL 18 9.932 12.464 -14.081 149 HG23 VAL 18 HG23 VAL 18 9.345 10.888 -13.551 150 HA PRO 19 HA PRO 19 8.926 11.942 -20.730 151 HB2 PRO 19 HB2 PRO 19 11.757 11.909 -21.193 152 HB3 PRO 19 HB1 PRO 19 10.599 13.163 -21.623 153 HG2 PRO 19 HG2 PRO 19 12.585 13.457 -19.742 154 HG3 PRO 19 HG1 PRO 19 11.100 14.422 -19.793 155 HD2 PRO 19 HD2 PRO 19 11.772 12.063 -18.079 156 HD3 PRO 19 HD1 PRO 19 10.879 13.543 -17.667 157 H ASN 20 HN ASN 20 11.893 10.504 -19.392 158 HA ASN 20 HA ASN 20 12.041 8.261 -20.967 159 HB2 ASN 20 HB2 ASN 20 12.859 8.675 -18.094 160 HB3 ASN 20 HB1 ASN 20 13.294 7.241 -19.019 161 HD21 ASN 20 HD21 ASN 20 13.774 10.649 -18.610 162 HD22 ASN 20 HD22 ASN 20 15.178 10.782 -19.607 163 H LEU 21 HN LEU 21 11.289 7.651 -17.581 164 HA LEU 21 HA LEU 21 9.849 6.214 -16.574 165 HB2 LEU 21 HB2 LEU 21 8.286 7.548 -18.649 166 HB3 LEU 21 HB1 LEU 21 7.628 5.996 -18.166 167 HG LEU 21 HG LEU 21 8.376 7.622 -15.875 168 HD11 LEU 21 HD11 LEU 21 7.826 9.471 -17.324 169 HD12 LEU 21 HD12 LEU 21 6.548 9.244 -16.128 170 HD13 LEU 21 HD13 LEU 21 6.312 8.694 -17.788 171 HD21 LEU 21 HD21 LEU 21 6.994 5.620 -15.745 172 HD22 LEU 21 HD22 LEU 21 5.784 6.374 -16.784 173 HD23 LEU 21 HD23 LEU 21 6.104 7.034 -15.180 174 H LEU 22 HN LEU 22 11.688 5.270 -18.807 175 HA LEU 22 HA LEU 22 10.265 2.790 -19.499 176 HB2 LEU 22 HB2 LEU 22 11.564 2.579 -21.406 177 HB3 LEU 22 HB1 LEU 22 11.293 4.307 -21.310 178 HG LEU 22 HG LEU 22 13.813 2.916 -20.393 179 HD11 LEU 22 HD11 LEU 22 13.510 2.760 -22.818 180 HD12 LEU 22 HD12 LEU 22 14.843 3.834 -22.393 181 HD13 LEU 22 HD13 LEU 22 13.293 4.508 -22.900 182 HD21 LEU 22 HD21 LEU 22 14.741 5.167 -20.291 183 HD22 LEU 22 HD22 LEU 22 13.351 5.010 -19.215 184 HD23 LEU 22 HD23 LEU 22 13.180 5.842 -20.761 185 H SER 23 HN SER 23 12.913 4.118 -17.742 186 HA SER 23 HA SER 23 13.972 1.430 -17.194 187 HB2 SER 23 HB2 SER 23 15.232 4.146 -16.741 188 HB3 SER 23 HB1 SER 23 15.983 2.601 -16.345 189 HG SER 23 HG SER 23 15.163 3.414 -18.939 190 H GLU 24 HN GLU 24 13.471 4.510 -15.459 191 HA GLU 24 HA GLU 24 13.305 3.136 -12.927 192 HB2 GLU 24 HB2 GLU 24 14.375 5.318 -13.026 193 HB3 GLU 24 HB1 GLU 24 12.904 6.042 -13.658 194 HG2 GLU 24 HG2 GLU 24 11.756 5.506 -11.554 195 HG3 GLU 24 HG1 GLU 24 13.260 4.835 -10.924 196 H GLN 25 HN GLN 25 11.104 4.740 -15.155 197 HA GLN 25 HA GLN 25 8.842 4.815 -15.309 198 HB2 GLN 25 HB2 GLN 25 9.237 2.335 -15.378 199 HB3 GLN 25 HB1 GLN 25 8.886 2.290 -13.656 200 HG2 GLN 25 HG2 GLN 25 6.646 3.195 -14.114 201 HG3 GLN 25 HG1 GLN 25 7.006 3.160 -15.839 202 HE21 GLN 25 HE21 GLN 25 8.519 0.670 -15.622 203 HE22 GLN 25 HE22 GLN 25 7.348 -0.585 -15.429 204 H ARG 26 HN ARG 26 7.972 3.141 -12.500 205 HA ARG 26 HA ARG 26 7.209 5.658 -11.216 206 HB2 ARG 26 HB2 ARG 26 6.259 2.832 -10.714 207 HB3 ARG 26 HB1 ARG 26 5.648 4.267 -9.903 208 HG2 ARG 26 HG2 ARG 26 4.764 5.118 -11.974 209 HG3 ARG 26 HG1 ARG 26 5.483 3.776 -12.869 210 HD2 ARG 26 HD2 ARG 26 4.078 2.199 -11.669 211 HD3 ARG 26 HD1 ARG 26 3.397 3.510 -10.710 212 HE ARG 26 HE ARG 26 2.921 4.183 -13.335 213 HH11 ARG 26 HH11 ARG 26 2.109 1.535 -11.221 214 HH12 ARG 26 HH12 ARG 26 0.616 1.182 -12.026 215 HH21 ARG 26 HH21 ARG 26 0.958 3.725 -14.400 216 HH22 ARG 26 HH22 ARG 26 -0.037 2.426 -13.833 217 HA PRO 27 HA PRO 27 10.108 4.893 -7.933 218 HB2 PRO 27 HB2 PRO 27 9.247 6.641 -6.108 219 HB3 PRO 27 HB1 PRO 27 9.910 7.191 -7.652 220 HG2 PRO 27 HG2 PRO 27 7.058 6.971 -6.783 221 HG3 PRO 27 HG1 PRO 27 7.845 8.245 -7.730 222 HD2 PRO 27 HD2 PRO 27 6.340 6.177 -8.795 223 HD3 PRO 27 HD1 PRO 27 7.545 7.122 -9.690 224 H VAL 28 HN VAL 28 7.914 3.009 -8.090 225 HA VAL 28 HA VAL 28 6.465 2.646 -5.756 226 HB VAL 28 HB VAL 28 7.650 0.426 -7.417 227 HG11 VAL 28 HG11 VAL 28 6.660 -0.336 -5.338 228 HG12 VAL 28 HG12 VAL 28 5.654 -0.818 -6.703 229 HG13 VAL 28 HG13 VAL 28 5.177 0.549 -5.695 230 HG21 VAL 28 HG21 VAL 28 5.087 1.960 -7.848 231 HG22 VAL 28 HG22 VAL 28 5.606 0.542 -8.761 232 HG23 VAL 28 HG23 VAL 28 6.529 2.043 -8.860 233 H ASP 29 HN ASP 29 7.286 2.704 -3.776 234 HA ASP 29 HA ASP 29 8.893 0.642 -2.771 235 HB2 ASP 29 HB2 ASP 29 10.687 1.870 -3.978 236 HB3 ASP 29 HB1 ASP 29 10.333 3.293 -3.004 237 H ILE 30 HN ILE 30 7.112 0.673 -1.385 238 HA ILE 30 HA ILE 30 7.022 2.911 0.506 239 HB ILE 30 HB ILE 30 4.949 0.829 -0.173 240 HG12 ILE 30 HG12 ILE 30 3.643 2.892 -0.797 241 HG13 ILE 30 HG11 ILE 30 5.121 3.816 -0.573 242 HG21 ILE 30 HG21 ILE 30 3.477 2.014 1.408 243 HG22 ILE 30 HG22 ILE 30 4.854 2.986 1.929 244 HG23 ILE 30 HG23 ILE 30 4.849 1.244 2.204 245 HD11 ILE 30 HD11 ILE 30 4.574 3.215 -2.928 246 HD12 ILE 30 HD12 ILE 30 4.883 1.532 -2.500 247 HD13 ILE 30 HD13 ILE 30 6.174 2.728 -2.376 248 HA PRO 31 HA PRO 31 8.696 0.098 3.500 249 HB2 PRO 31 HB2 PRO 31 8.609 1.746 5.642 250 HB3 PRO 31 HB1 PRO 31 9.789 1.930 4.343 251 HG2 PRO 31 HG2 PRO 31 7.362 3.519 4.931 252 HG3 PRO 31 HG1 PRO 31 8.873 4.016 4.155 253 HD2 PRO 31 HD2 PRO 31 6.444 3.393 2.875 254 HD3 PRO 31 HD1 PRO 31 8.017 3.608 2.088 255 H GLU 32 HN GLU 32 8.003 -1.256 5.121 256 HA GLU 32 HA GLU 32 5.417 -2.034 5.322 257 HB2 GLU 32 HB2 GLU 32 7.250 -3.332 6.250 258 HB3 GLU 32 HB1 GLU 32 7.495 -2.134 7.512 259 HG2 GLU 32 HG2 GLU 32 5.258 -2.634 8.396 260 HG3 GLU 32 HG1 GLU 32 5.065 -3.874 7.157 261 H ASP 33 HN ASP 33 6.981 0.438 7.315 262 HA ASP 33 HA ASP 33 5.098 0.899 9.239 263 HB2 ASP 33 HB2 ASP 33 6.692 2.987 7.741 264 HB3 ASP 33 HB1 ASP 33 5.906 3.226 9.299 265 H GLU 34 HN GLU 34 5.091 2.285 5.950 266 HA GLU 34 HA GLU 34 2.657 3.687 6.360 267 HB2 GLU 34 HB2 GLU 34 4.181 4.646 4.836 268 HB3 GLU 34 HB1 GLU 34 4.428 3.117 3.996 269 HG2 GLU 34 HG2 GLU 34 2.441 3.254 2.879 270 HG3 GLU 34 HG1 GLU 34 1.749 4.366 4.050 271 H LEU 35 HN LEU 35 3.545 0.509 5.304 272 HA LEU 35 HA LEU 35 1.175 -0.056 3.821 273 HB2 LEU 35 HB2 LEU 35 3.484 -1.256 3.806 274 HB3 LEU 35 HB1 LEU 35 2.826 -2.169 5.151 275 HG LEU 35 HG LEU 35 0.825 -2.597 3.508 276 HD11 LEU 35 HD11 LEU 35 1.478 -2.699 1.187 277 HD12 LEU 35 HD12 LEU 35 3.083 -2.084 1.579 278 HD13 LEU 35 HD13 LEU 35 1.669 -1.051 1.785 279 HD21 LEU 35 HD21 LEU 35 3.500 -3.959 3.231 280 HD22 LEU 35 HD22 LEU 35 1.950 -4.621 2.711 281 HD23 LEU 35 HD23 LEU 35 2.256 -4.332 4.423 282 H GLU 36 HN GLU 36 2.142 -0.478 7.184 283 HA GLU 36 HA GLU 36 0.052 -2.140 8.023 284 HB2 GLU 36 HB2 GLU 36 1.546 -0.017 9.575 285 HB3 GLU 36 HB1 GLU 36 0.511 -1.242 10.294 286 HG2 GLU 36 HG2 GLU 36 1.986 -2.989 9.402 287 HG3 GLU 36 HG1 GLU 36 3.036 -1.740 8.736 288 H GLU 37 HN GLU 37 0.147 1.259 7.330 289 HA GLU 37 HA GLU 37 -2.292 1.912 8.689 290 HB2 GLU 37 HB2 GLU 37 -0.821 3.426 6.523 291 HB3 GLU 37 HB1 GLU 37 -2.102 4.070 7.540 292 HG2 GLU 37 HG2 GLU 37 -0.694 3.777 9.510 293 HG3 GLU 37 HG1 GLU 37 0.588 3.116 8.496 294 H ILE 38 HN ILE 38 -1.424 0.712 5.551 295 HA ILE 38 HA ILE 38 -3.813 1.435 4.189 296 HB ILE 38 HB ILE 38 -2.016 -0.889 3.504 297 HG12 ILE 38 HG12 ILE 38 -1.721 2.022 2.719 298 HG13 ILE 38 HG11 ILE 38 -0.672 1.150 3.834 299 HG21 ILE 38 HG21 ILE 38 -2.783 -0.469 1.227 300 HG22 ILE 38 HG22 ILE 38 -3.773 0.873 1.798 301 HG23 ILE 38 HG23 ILE 38 -4.146 -0.775 2.302 302 HD11 ILE 38 HD11 ILE 38 -0.043 -0.364 1.986 303 HD12 ILE 38 HD12 ILE 38 0.396 1.320 1.697 304 HD13 ILE 38 HD13 ILE 38 -1.011 0.626 0.892 305 H ARG 39 HN ARG 39 -2.716 -1.582 5.715 306 HA ARG 39 HA ARG 39 -5.088 -3.033 5.152 307 HB2 ARG 39 HB2 ARG 39 -2.955 -3.487 7.246 308 HB3 ARG 39 HB1 ARG 39 -4.224 -4.637 6.848 309 HG2 ARG 39 HG2 ARG 39 -3.133 -5.382 5.060 310 HG3 ARG 39 HG1 ARG 39 -2.744 -3.751 4.512 311 HD2 ARG 39 HD2 ARG 39 -0.721 -5.034 5.013 312 HD3 ARG 39 HD1 ARG 39 -0.889 -3.650 6.089 313 HE ARG 39 HE ARG 39 -2.046 -5.905 7.301 314 HH11 ARG 39 HH11 ARG 39 1.080 -4.651 6.408 315 HH12 ARG 39 HH12 ARG 39 1.915 -5.469 7.686 316 HH21 ARG 39 HH21 ARG 39 -0.956 -6.981 8.987 317 HH22 ARG 39 HH22 ARG 39 0.758 -6.795 9.151 318 H GLU 40 HN GLU 40 -3.901 -2.092 8.380 319 HA GLU 40 HA GLU 40 -6.073 -2.567 9.887 320 HB2 GLU 40 HB2 GLU 40 -4.335 -0.106 10.085 321 HB3 GLU 40 HB1 GLU 40 -5.380 -0.711 11.362 322 HG2 GLU 40 HG2 GLU 40 -3.022 -2.156 10.174 323 HG3 GLU 40 HG1 GLU 40 -3.065 -1.342 11.737 324 H ALA 41 HN ALA 41 -5.797 0.080 7.604 325 HA ALA 41 HA ALA 41 -8.006 1.578 8.560 326 HB1 ALA 41 HB1 ALA 41 -6.793 1.558 5.804 327 HB2 ALA 41 HB2 ALA 41 -6.261 2.553 7.160 328 HB3 ALA 41 HB3 ALA 41 -7.864 2.794 6.465 329 H PHE 42 HN PHE 42 -7.925 0.037 5.339 330 HA PHE 42 HA PHE 42 -10.789 -0.128 5.334 331 HB2 PHE 42 HB2 PHE 42 -8.630 -0.767 3.363 332 HB3 PHE 42 HB1 PHE 42 -10.280 -1.300 3.072 333 HD1 PHE 42 HD2 PHE 42 -8.488 1.806 4.115 334 HD2 PHE 42 HD1 PHE 42 -11.603 0.063 1.799 335 HE1 PHE 42 HE2 PHE 42 -9.048 4.023 3.208 336 HE2 PHE 42 HE1 PHE 42 -12.168 2.277 0.887 337 HZ PHE 42 HZ PHE 42 -10.893 4.261 1.592 338 H LYS 43 HN LYS 43 -8.251 -2.272 6.180 339 HA LYS 43 HA LYS 43 -9.543 -4.722 5.618 340 HB2 LYS 43 HB2 LYS 43 -7.038 -4.139 6.311 341 HB3 LYS 43 HB1 LYS 43 -7.650 -4.540 7.911 342 HG2 LYS 43 HG2 LYS 43 -6.613 -6.466 6.877 343 HG3 LYS 43 HG1 LYS 43 -8.342 -6.736 7.091 344 HD2 LYS 43 HD2 LYS 43 -7.540 -7.517 4.898 345 HD3 LYS 43 HD1 LYS 43 -8.741 -6.235 4.751 346 HE2 LYS 43 HE2 LYS 43 -6.971 -4.599 4.369 347 HE3 LYS 43 HE1 LYS 43 -5.752 -5.863 4.564 348 HZ1 LYS 43 HZ1 LYS 43 -6.605 -6.970 2.616 349 HZ2 LYS 43 HZ2 LYS 43 -6.222 -5.370 2.229 350 HZ3 LYS 43 HZ3 LYS 43 -7.837 -5.822 2.448 351 H VAL 44 HN VAL 44 -9.561 -2.590 8.456 352 HA VAL 44 HA VAL 44 -11.023 -4.445 10.073 353 HB VAL 44 HB VAL 44 -11.379 -2.603 11.633 354 HG11 VAL 44 HG11 VAL 44 -9.288 -3.787 11.770 355 HG12 VAL 44 HG12 VAL 44 -9.010 -2.076 12.095 356 HG13 VAL 44 HG13 VAL 44 -8.583 -2.757 10.526 357 HG21 VAL 44 HG21 VAL 44 -11.773 -0.803 10.046 358 HG22 VAL 44 HG22 VAL 44 -10.091 -0.875 9.527 359 HG23 VAL 44 HG23 VAL 44 -10.484 -0.369 11.168 360 H PHE 45 HN PHE 45 -11.909 -1.792 7.911 361 HA PHE 45 HA PHE 45 -14.606 -1.585 8.672 362 HB2 PHE 45 HB2 PHE 45 -13.315 -1.077 5.979 363 HB3 PHE 45 HB1 PHE 45 -14.979 -0.663 6.370 364 HD1 PHE 45 HD2 PHE 45 -14.883 0.493 8.982 365 HD2 PHE 45 HD1 PHE 45 -12.081 0.850 5.800 366 HE1 PHE 45 HE2 PHE 45 -14.140 2.657 9.886 367 HE2 PHE 45 HE1 PHE 45 -11.329 3.013 6.701 368 HZ PHE 45 HZ PHE 45 -12.361 3.921 8.744 369 H ASP 46 HN ASP 46 -12.929 -4.068 7.061 370 HA ASP 46 HA ASP 46 -15.123 -5.179 5.606 371 HB2 ASP 46 HB2 ASP 46 -12.745 -5.631 5.042 372 HB3 ASP 46 HB1 ASP 46 -12.578 -6.522 6.551 373 H ARG 47 HN ARG 47 -16.846 -5.356 7.011 374 HA ARG 47 HA ARG 47 -16.850 -6.341 9.596 375 HB2 ARG 47 HB2 ARG 47 -19.075 -6.723 7.595 376 HB3 ARG 47 HB1 ARG 47 -19.221 -6.641 9.346 377 HG2 ARG 47 HG2 ARG 47 -18.461 -4.300 9.276 378 HG3 ARG 47 HG1 ARG 47 -18.398 -4.396 7.515 379 HD2 ARG 47 HD2 ARG 47 -20.467 -3.349 8.224 380 HD3 ARG 47 HD1 ARG 47 -20.797 -4.908 7.469 381 HE ARG 47 HE ARG 47 -20.565 -4.992 10.342 382 HH11 ARG 47 HH11 ARG 47 -22.700 -4.561 7.622 383 HH12 ARG 47 HH12 ARG 47 -24.124 -4.995 8.507 384 HH21 ARG 47 HH21 ARG 47 -22.433 -5.565 11.515 385 HH22 ARG 47 HH22 ARG 47 -23.972 -5.566 10.722 386 H ASP 48 HN ASP 48 -17.126 -8.133 6.547 387 HA ASP 48 HA ASP 48 -17.529 -10.647 7.868 388 HB2 ASP 48 HB2 ASP 48 -16.747 -10.092 4.997 389 HB3 ASP 48 HB1 ASP 48 -17.339 -11.624 5.633 390 H GLY 49 HN GLY 49 -14.802 -8.753 7.020 391 HA2 GLY 49 HA2 GLY 49 -12.547 -9.090 7.255 392 HA3 GLY 49 HA1 GLY 49 -12.975 -10.340 8.412 393 H ASN 50 HN ASN 50 -14.166 -10.710 5.198 394 HA ASN 50 HA ASN 50 -12.656 -13.128 4.867 395 HB2 ASN 50 HB2 ASN 50 -13.831 -13.114 2.580 396 HB3 ASN 50 HB1 ASN 50 -14.842 -13.251 4.014 397 HD21 ASN 50 HD21 ASN 50 -16.637 -12.452 2.940 398 HD22 ASN 50 HD22 ASN 50 -16.795 -10.783 2.522 399 H GLY 51 HN GLY 51 -11.789 -10.009 4.480 400 HA2 GLY 51 HA2 GLY 51 -9.642 -9.391 3.667 401 HA3 GLY 51 HA1 GLY 51 -9.707 -10.744 2.548 402 H PHE 52 HN PHE 52 -12.588 -9.828 1.972 403 HA PHE 52 HA PHE 52 -11.836 -7.707 0.071 404 HB2 PHE 52 HB2 PHE 52 -14.220 -9.484 -0.325 405 HB3 PHE 52 HB1 PHE 52 -13.274 -8.614 -1.525 406 HD1 PHE 52 HD1 PHE 52 -11.152 -9.507 -2.327 407 HD2 PHE 52 HD2 PHE 52 -13.542 -11.643 0.475 408 HE1 PHE 52 HE1 PHE 52 -9.863 -11.552 -2.792 409 HE2 PHE 52 HE2 PHE 52 -12.258 -13.690 0.017 410 HZ PHE 52 HZ PHE 52 -10.414 -13.646 -1.619 411 H ILE 53 HN ILE 53 -13.079 -5.885 -0.065 412 HA ILE 53 HA ILE 53 -15.118 -5.573 2.027 413 HB ILE 53 HB ILE 53 -13.605 -3.460 0.487 414 HG12 ILE 53 HG12 ILE 53 -13.336 -3.843 3.432 415 HG13 ILE 53 HG11 ILE 53 -12.533 -5.008 2.384 416 HG21 ILE 53 HG21 ILE 53 -14.578 -1.891 2.119 417 HG22 ILE 53 HG22 ILE 53 -15.557 -3.206 2.771 418 HG23 ILE 53 HG23 ILE 53 -15.803 -2.662 1.111 419 HD11 ILE 53 HD11 ILE 53 -11.019 -3.237 3.014 420 HD12 ILE 53 HD12 ILE 53 -12.130 -2.028 2.369 421 HD13 ILE 53 HD13 ILE 53 -11.345 -3.173 1.282 422 H SER 54 HN SER 54 -17.184 -5.553 1.463 423 HA SER 54 HA SER 54 -17.955 -5.407 -1.319 424 HB2 SER 54 HB2 SER 54 -19.506 -5.883 1.229 425 HB3 SER 54 HB1 SER 54 -20.270 -5.792 -0.355 426 HG SER 54 HG SER 54 -18.689 -7.496 -0.945 427 H LYS 55 HN LYS 55 -20.258 -4.151 -1.543 428 HA LYS 55 HA LYS 55 -19.600 -1.417 -1.502 429 HB2 LYS 55 HB2 LYS 55 -22.229 -2.838 -1.916 430 HB3 LYS 55 HB1 LYS 55 -22.043 -1.099 -2.082 431 HG2 LYS 55 HG2 LYS 55 -21.870 -1.845 -4.256 432 HG3 LYS 55 HG1 LYS 55 -20.185 -1.686 -3.770 433 HD2 LYS 55 HD2 LYS 55 -20.348 -3.759 -4.894 434 HD3 LYS 55 HD1 LYS 55 -20.259 -4.144 -3.175 435 HE2 LYS 55 HE2 LYS 55 -22.691 -4.401 -3.108 436 HE3 LYS 55 HE1 LYS 55 -22.783 -4.007 -4.824 437 HZ1 LYS 55 HZ1 LYS 55 -21.395 -6.357 -3.651 438 HZ2 LYS 55 HZ2 LYS 55 -21.447 -5.975 -5.296 439 HZ3 LYS 55 HZ3 LYS 55 -22.870 -6.386 -4.480 440 H GLN 56 HN GLN 56 -21.936 -3.255 0.464 441 HA GLN 56 HA GLN 56 -22.836 -1.119 2.030 442 HB2 GLN 56 HB2 GLN 56 -22.620 -4.020 2.844 443 HB3 GLN 56 HB1 GLN 56 -23.665 -2.809 3.574 444 HG2 GLN 56 HG2 GLN 56 -23.849 -3.863 0.761 445 HG3 GLN 56 HG1 GLN 56 -24.926 -4.252 2.101 446 HE21 GLN 56 HE21 GLN 56 -25.486 -3.041 -0.511 447 HE22 GLN 56 HE22 GLN 56 -26.261 -1.534 -0.174 448 H GLU 57 HN GLU 57 -19.943 -3.032 2.236 449 HA GLU 57 HA GLU 57 -19.297 -2.167 4.920 450 HB2 GLU 57 HB2 GLU 57 -17.631 -3.649 2.875 451 HB3 GLU 57 HB1 GLU 57 -17.213 -3.425 4.567 452 HG2 GLU 57 HG2 GLU 57 -19.126 -4.737 5.249 453 HG3 GLU 57 HG1 GLU 57 -19.635 -4.901 3.570 454 H LEU 58 HN LEU 58 -17.985 -1.644 1.667 455 HA LEU 58 HA LEU 58 -16.004 0.204 2.343 456 HB2 LEU 58 HB2 LEU 58 -16.518 -1.067 0.125 457 HB3 LEU 58 HB1 LEU 58 -17.530 0.311 -0.244 458 HG LEU 58 HG LEU 58 -15.207 0.311 -1.243 459 HD11 LEU 58 HD11 LEU 58 -14.918 2.669 -1.002 460 HD12 LEU 58 HD12 LEU 58 -15.853 2.681 0.492 461 HD13 LEU 58 HD13 LEU 58 -16.645 2.317 -1.040 462 HD21 LEU 58 HD21 LEU 58 -14.400 0.984 1.582 463 HD22 LEU 58 HD22 LEU 58 -13.360 1.010 0.156 464 HD23 LEU 58 HD23 LEU 58 -14.022 -0.518 0.737 465 H GLY 59 HN GLY 59 -19.441 0.527 1.988 466 HA2 GLY 59 HA2 GLY 59 -19.564 3.337 1.592 467 HA3 GLY 59 HA1 GLY 59 -20.872 2.317 2.178 468 H THR 60 HN THR 60 -18.918 1.402 4.349 469 HA THR 60 HA THR 60 -19.655 3.470 6.252 470 HB THR 60 HB THR 60 -18.223 0.854 6.773 471 HG1 THR 60 HG1 THR 60 -20.998 1.425 7.079 472 HG21 THR 60 HG21 THR 60 -19.021 1.161 9.071 473 HG22 THR 60 HG22 THR 60 -19.738 2.707 8.618 474 HG23 THR 60 HG23 THR 60 -17.987 2.500 8.571 475 H ALA 61 HN ALA 61 -16.933 2.401 4.465 476 HA ALA 61 HA ALA 61 -14.914 3.512 6.172 477 HB1 ALA 61 HB1 ALA 61 -14.464 1.648 4.626 478 HB2 ALA 61 HB2 ALA 61 -13.382 3.016 4.364 479 HB3 ALA 61 HB3 ALA 61 -14.731 2.735 3.263 480 H MET 62 HN MET 62 -16.463 4.528 3.136 481 HA MET 62 HA MET 62 -14.992 6.886 2.770 482 HB2 MET 62 HB2 MET 62 -17.773 6.135 1.869 483 HB3 MET 62 HB1 MET 62 -16.939 7.591 1.343 484 HG2 MET 62 HG2 MET 62 -15.993 4.768 0.898 485 HG3 MET 62 HG1 MET 62 -16.775 5.798 -0.302 486 HE1 MET 62 HE1 MET 62 -15.456 8.638 0.387 487 HE2 MET 62 HE2 MET 62 -15.678 8.040 -1.256 488 HE3 MET 62 HE3 MET 62 -14.104 8.648 -0.744 489 H ARG 63 HN ARG 63 -18.089 6.333 4.430 490 HA ARG 63 HA ARG 63 -18.653 9.014 5.023 491 HB2 ARG 63 HB2 ARG 63 -20.201 8.186 6.675 492 HB3 ARG 63 HB1 ARG 63 -20.269 7.143 5.261 493 HG2 ARG 63 HG2 ARG 63 -19.028 5.439 6.357 494 HG3 ARG 63 HG1 ARG 63 -18.645 6.506 7.709 495 HD2 ARG 63 HD2 ARG 63 -21.382 5.493 6.948 496 HD3 ARG 63 HD1 ARG 63 -20.411 4.951 8.316 497 HE ARG 63 HE ARG 63 -20.693 7.671 8.629 498 HH11 ARG 63 HH11 ARG 63 -22.823 4.921 8.414 499 HH12 ARG 63 HH12 ARG 63 -24.046 5.629 9.416 500 HH21 ARG 63 HH21 ARG 63 -22.295 8.609 9.948 501 HH22 ARG 63 HH22 ARG 63 -23.746 7.726 10.288 502 H SER 64 HN SER 64 -16.392 6.801 6.410 503 HA SER 64 HA SER 64 -16.051 8.195 8.889 504 HB2 SER 64 HB2 SER 64 -14.236 6.191 7.523 505 HB3 SER 64 HB1 SER 64 -14.094 6.734 9.195 506 HG SER 64 HG SER 64 -16.598 5.865 8.658 507 H LEU 65 HN LEU 65 -15.627 9.436 6.061 508 HA LEU 65 HA LEU 65 -13.071 10.754 6.702 509 HB2 LEU 65 HB2 LEU 65 -14.228 10.397 3.940 510 HB3 LEU 65 HB1 LEU 65 -12.653 11.048 4.349 511 HG LEU 65 HG LEU 65 -13.520 8.187 4.771 512 HD11 LEU 65 HD11 LEU 65 -11.982 7.667 2.956 513 HD12 LEU 65 HD12 LEU 65 -11.647 9.384 2.735 514 HD13 LEU 65 HD13 LEU 65 -13.261 8.751 2.409 515 HD21 LEU 65 HD21 LEU 65 -10.842 9.522 5.156 516 HD22 LEU 65 HD22 LEU 65 -11.155 7.791 5.278 517 HD23 LEU 65 HD23 LEU 65 -11.892 8.903 6.431 518 H GLY 66 HN GLY 66 -16.406 11.037 5.987 519 HA2 GLY 66 HA2 GLY 66 -17.444 13.126 6.814 520 HA3 GLY 66 HA1 GLY 66 -16.160 13.982 5.974 521 H TYR 67 HN TYR 67 -17.336 11.235 4.346 522 HA TYR 67 HA TYR 67 -19.165 12.868 2.718 523 HB2 TYR 67 HB2 TYR 67 -17.298 10.826 1.519 524 HB3 TYR 67 HB1 TYR 67 -18.251 12.050 0.687 525 HD1 TYR 67 HD1 TYR 67 -17.541 14.407 0.719 526 HD2 TYR 67 HD2 TYR 67 -15.168 11.352 2.492 527 HE1 TYR 67 HE1 TYR 67 -15.616 15.937 0.762 528 HE2 TYR 67 HE2 TYR 67 -13.237 12.874 2.540 529 HH TYR 67 HH TYR 67 -13.501 16.201 2.035 530 H MET 68 HN MET 68 -20.959 11.900 3.694 531 HA MET 68 HA MET 68 -21.303 9.127 4.037 532 HB2 MET 68 HB2 MET 68 -23.392 11.286 3.712 533 HB3 MET 68 HB1 MET 68 -23.694 9.663 4.318 534 HG2 MET 68 HG2 MET 68 -22.228 10.094 6.219 535 HG3 MET 68 HG1 MET 68 -21.917 11.719 5.610 536 HE1 MET 68 HE1 MET 68 -22.623 12.747 7.951 537 HE2 MET 68 HE2 MET 68 -22.937 11.129 8.577 538 HE3 MET 68 HE3 MET 68 -24.152 12.394 8.755 539 HA PRO 69 HA PRO 69 -22.135 8.356 -0.343 540 HB2 PRO 69 HB2 PRO 69 -21.439 5.784 -0.383 541 HB3 PRO 69 HB1 PRO 69 -20.216 7.051 -0.230 542 HG2 PRO 69 HG2 PRO 69 -21.356 5.253 1.860 543 HG3 PRO 69 HG1 PRO 69 -19.695 5.836 1.664 544 HD2 PRO 69 HD2 PRO 69 -21.609 6.898 3.403 545 HD3 PRO 69 HD1 PRO 69 -20.109 7.699 2.897 546 H ASN 70 HN ASN 70 -24.017 7.806 -1.277 547 HA ASN 70 HA ASN 70 -26.002 6.400 0.324 548 HB2 ASN 70 HB2 ASN 70 -27.450 7.079 -1.766 549 HB3 ASN 70 HB1 ASN 70 -27.030 8.268 -0.535 550 HD21 ASN 70 HD21 ASN 70 -26.257 7.055 -3.717 551 HD22 ASN 70 HD22 ASN 70 -25.449 8.474 -4.266 552 H GLU 71 HN GLU 71 -27.619 5.135 -1.315 553 HA GLU 71 HA GLU 71 -26.325 2.731 -1.899 554 HB2 GLU 71 HB2 GLU 71 -28.417 2.094 -3.051 555 HB3 GLU 71 HB1 GLU 71 -28.707 2.813 -1.472 556 HG2 GLU 71 HG2 GLU 71 -29.271 4.934 -2.537 557 HG3 GLU 71 HG1 GLU 71 -28.971 4.220 -4.121 558 H VAL 72 HN VAL 72 -26.629 5.598 -3.783 559 HA VAL 72 HA VAL 72 -26.021 4.244 -6.286 560 HB VAL 72 HB VAL 72 -26.245 7.213 -5.793 561 HG11 VAL 72 HG11 VAL 72 -25.108 6.615 -7.862 562 HG12 VAL 72 HG12 VAL 72 -26.688 7.321 -8.197 563 HG13 VAL 72 HG13 VAL 72 -26.458 5.577 -8.317 564 HG21 VAL 72 HG21 VAL 72 -28.306 6.103 -5.106 565 HG22 VAL 72 HG22 VAL 72 -28.388 5.274 -6.661 566 HG23 VAL 72 HG23 VAL 72 -28.551 7.029 -6.587 567 H GLU 73 HN GLU 73 -24.377 5.941 -3.760 568 HA GLU 73 HA GLU 73 -22.072 6.642 -5.319 569 HB2 GLU 73 HB2 GLU 73 -22.667 6.661 -2.369 570 HB3 GLU 73 HB1 GLU 73 -21.069 7.047 -2.994 571 HG2 GLU 73 HG2 GLU 73 -23.620 8.492 -3.675 572 HG3 GLU 73 HG1 GLU 73 -22.375 9.054 -2.561 573 H LEU 74 HN LEU 74 -22.598 4.255 -2.706 574 HA LEU 74 HA LEU 74 -20.081 3.073 -2.835 575 HB2 LEU 74 HB2 LEU 74 -21.300 1.030 -1.878 576 HB3 LEU 74 HB1 LEU 74 -21.311 2.518 -0.954 577 HG LEU 74 HG LEU 74 -23.606 2.951 -2.029 578 HD11 LEU 74 HD11 LEU 74 -24.834 0.944 -2.685 579 HD12 LEU 74 HD12 LEU 74 -23.355 -0.006 -2.542 580 HD13 LEU 74 HD13 LEU 74 -23.476 1.258 -3.766 581 HD21 LEU 74 HD21 LEU 74 -23.303 2.413 0.319 582 HD22 LEU 74 HD22 LEU 74 -23.229 0.693 -0.067 583 HD23 LEU 74 HD23 LEU 74 -24.726 1.592 -0.323 584 H GLU 75 HN GLU 75 -22.566 2.944 -5.143 585 HA GLU 75 HA GLU 75 -21.755 0.376 -6.230 586 HB2 GLU 75 HB2 GLU 75 -23.864 2.385 -6.964 587 HB3 GLU 75 HB1 GLU 75 -23.439 1.080 -8.063 588 HG2 GLU 75 HG2 GLU 75 -24.370 0.691 -5.229 589 HG3 GLU 75 HG1 GLU 75 -25.405 0.599 -6.649 590 H VAL 76 HN VAL 76 -21.205 3.778 -6.844 591 HA VAL 76 HA VAL 76 -19.975 3.223 -9.420 592 HB VAL 76 HB VAL 76 -19.675 5.618 -9.651 593 HG11 VAL 76 HG11 VAL 76 -22.420 4.894 -8.636 594 HG12 VAL 76 HG12 VAL 76 -21.824 4.691 -10.282 595 HG13 VAL 76 HG13 VAL 76 -22.030 6.309 -9.612 596 HG21 VAL 76 HG21 VAL 76 -19.163 6.094 -7.277 597 HG22 VAL 76 HG22 VAL 76 -20.871 5.882 -6.895 598 HG23 VAL 76 HG23 VAL 76 -20.361 7.192 -7.958 599 H ILE 77 HN ILE 77 -19.021 3.800 -6.143 600 HA ILE 77 HA ILE 77 -16.289 4.456 -6.789 601 HB ILE 77 HB ILE 77 -17.545 3.742 -4.139 602 HG12 ILE 77 HG12 ILE 77 -16.672 6.501 -4.729 603 HG13 ILE 77 HG11 ILE 77 -18.064 5.939 -5.649 604 HG21 ILE 77 HG21 ILE 77 -15.154 3.344 -4.104 605 HG22 ILE 77 HG22 ILE 77 -15.544 4.778 -3.154 606 HG23 ILE 77 HG23 ILE 77 -14.855 4.951 -4.768 607 HD11 ILE 77 HD11 ILE 77 -17.814 5.993 -2.654 608 HD12 ILE 77 HD12 ILE 77 -19.198 5.376 -3.557 609 HD13 ILE 77 HD13 ILE 77 -18.773 7.085 -3.653 610 H ILE 78 HN ILE 78 -18.103 1.585 -5.985 611 HA ILE 78 HA ILE 78 -15.798 -0.015 -5.385 612 HB ILE 78 HB ILE 78 -18.705 -0.666 -5.803 613 HG12 ILE 78 HG12 ILE 78 -18.047 0.397 -3.683 614 HG13 ILE 78 HG11 ILE 78 -18.612 -1.250 -3.431 615 HG21 ILE 78 HG21 ILE 78 -17.515 -2.559 -6.701 616 HG22 ILE 78 HG22 ILE 78 -18.182 -2.988 -5.126 617 HG23 ILE 78 HG23 ILE 78 -16.465 -2.616 -5.284 618 HD11 ILE 78 HD11 ILE 78 -15.762 -0.295 -3.432 619 HD12 ILE 78 HD12 ILE 78 -16.250 -1.986 -3.326 620 HD13 ILE 78 HD13 ILE 78 -16.703 -0.857 -2.052 621 H GLN 79 HN GLN 79 -17.417 0.913 -8.291 622 HA GLN 79 HA GLN 79 -16.492 -1.383 -9.795 623 HB2 GLN 79 HB2 GLN 79 -17.491 -0.282 -11.732 624 HB3 GLN 79 HB1 GLN 79 -18.626 -0.346 -10.392 625 HG2 GLN 79 HG2 GLN 79 -18.173 1.981 -9.872 626 HG3 GLN 79 HG1 GLN 79 -16.993 2.055 -11.180 627 HE21 GLN 79 HE21 GLN 79 -18.092 3.669 -12.264 628 HE22 GLN 79 HE22 GLN 79 -19.583 3.388 -13.089 629 H ARG 80 HN ARG 80 -15.268 1.629 -8.826 630 HA ARG 80 HA ARG 80 -13.459 1.992 -11.038 631 HB2 ARG 80 HB2 ARG 80 -13.513 3.303 -8.313 632 HB3 ARG 80 HB1 ARG 80 -12.511 3.808 -9.666 633 HG2 ARG 80 HG2 ARG 80 -15.510 3.733 -9.799 634 HG3 ARG 80 HG1 ARG 80 -14.601 5.149 -9.266 635 HD2 ARG 80 HD2 ARG 80 -15.085 5.443 -11.580 636 HD3 ARG 80 HD1 ARG 80 -13.369 5.068 -11.444 637 HE ARG 80 HE ARG 80 -15.086 2.797 -11.952 638 HH11 ARG 80 HH11 ARG 80 -13.105 5.313 -13.331 639 HH12 ARG 80 HH12 ARG 80 -12.863 4.477 -14.829 640 HH21 ARG 80 HH21 ARG 80 -14.768 1.689 -13.918 641 HH22 ARG 80 HH22 ARG 80 -13.808 2.417 -15.163 642 H LEU 81 HN LEU 81 -13.439 0.372 -7.977 643 HA LEU 81 HA LEU 81 -10.545 -0.044 -8.117 644 HB2 LEU 81 HB2 LEU 81 -12.297 -1.100 -5.930 645 HB3 LEU 81 HB1 LEU 81 -10.605 -0.648 -5.867 646 HG LEU 81 HG LEU 81 -12.961 1.235 -6.000 647 HD11 LEU 81 HD11 LEU 81 -12.159 1.937 -3.781 648 HD12 LEU 81 HD12 LEU 81 -10.954 0.651 -3.831 649 HD13 LEU 81 HD13 LEU 81 -12.672 0.251 -3.817 650 HD21 LEU 81 HD21 LEU 81 -10.003 1.815 -5.991 651 HD22 LEU 81 HD22 LEU 81 -11.264 3.018 -5.723 652 HD23 LEU 81 HD23 LEU 81 -11.154 2.187 -7.275 653 H ASP 82 HN ASP 82 -13.592 -1.844 -8.034 654 HA ASP 82 HA ASP 82 -12.413 -4.421 -8.158 655 HB2 ASP 82 HB2 ASP 82 -14.728 -3.967 -7.365 656 HB3 ASP 82 HB1 ASP 82 -15.190 -3.592 -9.021 657 H MET 83 HN MET 83 -10.877 -4.357 -9.811 658 HA MET 83 HA MET 83 -11.660 -3.759 -12.521 659 HB2 MET 83 HB2 MET 83 -9.085 -4.868 -11.399 660 HB3 MET 83 HB1 MET 83 -9.327 -4.379 -13.070 661 HG2 MET 83 HG2 MET 83 -9.467 -2.594 -10.651 662 HG3 MET 83 HG1 MET 83 -8.161 -2.662 -11.832 663 HE1 MET 83 HE1 MET 83 -9.426 0.041 -11.036 664 HE2 MET 83 HE2 MET 83 -9.767 0.819 -12.582 665 HE3 MET 83 HE3 MET 83 -8.250 -0.048 -12.347 666 H ASP 84 HN ASP 84 -10.725 -6.688 -10.726 667 HA ASP 84 HA ASP 84 -10.922 -8.415 -12.966 668 HB2 ASP 84 HB2 ASP 84 -10.832 -10.242 -11.314 669 HB3 ASP 84 HB1 ASP 84 -9.591 -9.028 -11.025 670 H GLY 85 HN GLY 85 -13.291 -7.020 -10.919 671 HA2 GLY 85 HA2 GLY 85 -15.594 -7.069 -11.193 672 HA3 GLY 85 HA1 GLY 85 -15.389 -8.295 -12.433 673 H ASP 86 HN ASP 86 -14.626 -8.140 -8.949 674 HA ASP 86 HA ASP 86 -16.016 -10.717 -8.651 675 HB2 ASP 86 HB2 ASP 86 -14.641 -11.127 -6.695 676 HB3 ASP 86 HB1 ASP 86 -13.608 -10.729 -8.062 677 H GLY 87 HN GLY 87 -16.716 -7.616 -8.353 678 HA2 GLY 87 HA2 GLY 87 -18.521 -6.616 -7.298 679 HA3 GLY 87 HA1 GLY 87 -18.754 -8.090 -6.373 680 H GLN 88 HN GLN 88 -15.761 -7.832 -5.661 681 HA GLN 88 HA GLN 88 -16.100 -5.763 -3.592 682 HB2 GLN 88 HB2 GLN 88 -14.762 -8.457 -3.296 683 HB3 GLN 88 HB1 GLN 88 -14.806 -7.205 -2.061 684 HG2 GLN 88 HG2 GLN 88 -17.228 -7.372 -1.953 685 HG3 GLN 88 HG1 GLN 88 -17.211 -8.591 -3.226 686 HE21 GLN 88 HE21 GLN 88 -16.472 -10.660 -2.765 687 HE22 GLN 88 HE22 GLN 88 -16.301 -11.236 -1.145 688 H VAL 89 HN VAL 89 -14.018 -4.988 -2.666 689 HA VAL 89 HA VAL 89 -12.127 -4.519 -4.842 690 HB VAL 89 HB VAL 89 -12.253 -3.198 -2.129 691 HG11 VAL 89 HG11 VAL 89 -10.868 -1.465 -3.183 692 HG12 VAL 89 HG12 VAL 89 -10.792 -2.432 -4.655 693 HG13 VAL 89 HG13 VAL 89 -10.062 -3.034 -3.165 694 HG21 VAL 89 HG21 VAL 89 -13.329 -1.327 -3.287 695 HG22 VAL 89 HG22 VAL 89 -14.302 -2.795 -3.383 696 HG23 VAL 89 HG23 VAL 89 -13.359 -2.269 -4.777 697 H ASP 90 HN ASP 90 -10.079 -5.222 -4.869 698 HA ASP 90 HA ASP 90 -9.240 -7.054 -2.761 699 HB2 ASP 90 HB2 ASP 90 -8.033 -6.453 -5.470 700 HB3 ASP 90 HB1 ASP 90 -7.434 -7.671 -4.348 701 H PHE 91 HN PHE 91 -7.279 -6.902 -1.672 702 HA PHE 91 HA PHE 91 -6.482 -4.368 -0.826 703 HB2 PHE 91 HB2 PHE 91 -6.180 -6.345 0.545 704 HB3 PHE 91 HB1 PHE 91 -5.062 -7.029 -0.627 705 HD1 PHE 91 HD2 PHE 91 -5.366 -3.733 1.118 706 HD2 PHE 91 HD1 PHE 91 -2.915 -7.071 0.136 707 HE1 PHE 91 HE2 PHE 91 -3.486 -2.705 2.326 708 HE2 PHE 91 HE1 PHE 91 -1.031 -6.049 1.341 709 HZ PHE 91 HZ PHE 91 -1.315 -3.862 2.440 710 H GLU 92 HN GLU 92 -5.403 -6.258 -3.531 711 HA GLU 92 HA GLU 92 -2.889 -4.913 -3.859 712 HB2 GLU 92 HB2 GLU 92 -4.485 -6.558 -5.836 713 HB3 GLU 92 HB1 GLU 92 -2.814 -6.052 -6.041 714 HG2 GLU 92 HG2 GLU 92 -2.186 -7.360 -4.064 715 HG3 GLU 92 HG1 GLU 92 -3.860 -7.889 -3.900 716 H GLU 93 HN GLU 93 -6.011 -4.745 -5.574 717 HA GLU 93 HA GLU 93 -5.354 -2.725 -7.365 718 HB2 GLU 93 HB2 GLU 93 -8.054 -3.114 -6.069 719 HB3 GLU 93 HB1 GLU 93 -7.725 -2.386 -7.635 720 HG2 GLU 93 HG2 GLU 93 -7.070 -4.477 -8.559 721 HG3 GLU 93 HG1 GLU 93 -7.091 -5.249 -6.975 722 H PHE 94 HN PHE 94 -5.940 -2.558 -3.970 723 HA PHE 94 HA PHE 94 -6.474 0.296 -3.994 724 HB2 PHE 94 HB2 PHE 94 -7.690 -1.132 -2.422 725 HB3 PHE 94 HB1 PHE 94 -6.172 -1.631 -1.685 726 HD1 PHE 94 HD2 PHE 94 -7.562 1.692 -2.674 727 HD2 PHE 94 HD1 PHE 94 -5.998 -0.768 0.428 728 HE1 PHE 94 HE2 PHE 94 -7.703 3.585 -1.108 729 HE2 PHE 94 HE1 PHE 94 -6.136 1.121 1.999 730 HZ PHE 94 HZ PHE 94 -6.988 3.300 1.232 731 H VAL 95 HN VAL 95 -3.912 -1.878 -2.800 732 HA VAL 95 HA VAL 95 -2.285 0.039 -1.620 733 HB VAL 95 HB VAL 95 -0.366 -1.522 -2.154 734 HG11 VAL 95 HG11 VAL 95 -2.815 -2.618 -0.796 735 HG12 VAL 95 HG12 VAL 95 -1.536 -1.655 -0.058 736 HG13 VAL 95 HG13 VAL 95 -1.191 -3.283 -0.638 737 HG21 VAL 95 HG21 VAL 95 -2.585 -3.172 -3.332 738 HG22 VAL 95 HG22 VAL 95 -0.947 -3.740 -3.007 739 HG23 VAL 95 HG23 VAL 95 -1.222 -2.477 -4.207 740 H THR 96 HN THR 96 -2.614 -0.811 -5.020 741 HA THR 96 HA THR 96 -0.291 0.629 -5.856 742 HB THR 96 HB THR 96 -2.650 -0.272 -7.517 743 HG1 THR 96 HG1 THR 96 -0.297 -1.574 -6.639 744 HG21 THR 96 HG21 THR 96 -1.272 1.404 -8.641 745 HG22 THR 96 HG22 THR 96 -1.059 -0.181 -9.386 746 HG23 THR 96 HG23 THR 96 0.176 0.456 -8.298 747 H LEU 97 HN LEU 97 -3.789 1.298 -5.941 748 HA LEU 97 HA LEU 97 -3.680 3.734 -7.287 749 HB2 LEU 97 HB2 LEU 97 -5.606 2.722 -5.207 750 HB3 LEU 97 HB1 LEU 97 -5.843 4.226 -6.075 751 HG LEU 97 HG LEU 97 -5.636 1.510 -7.377 752 HD11 LEU 97 HD11 LEU 97 -7.654 1.683 -6.032 753 HD12 LEU 97 HD12 LEU 97 -8.042 1.726 -7.753 754 HD13 LEU 97 HD13 LEU 97 -8.055 3.216 -6.809 755 HD21 LEU 97 HD21 LEU 97 -6.382 4.213 -8.489 756 HD22 LEU 97 HD22 LEU 97 -6.461 2.685 -9.366 757 HD23 LEU 97 HD23 LEU 97 -4.903 3.315 -8.830 758 H LEU 98 HN LEU 98 -2.664 2.983 -4.094 759 HA LEU 98 HA LEU 98 -2.525 5.850 -3.442 760 HB2 LEU 98 HB2 LEU 98 -2.409 5.228 -1.113 761 HB3 LEU 98 HB1 LEU 98 -3.817 4.493 -1.854 762 HG LEU 98 HG LEU 98 -2.098 2.457 -2.130 763 HD11 LEU 98 HD11 LEU 98 -0.254 3.695 -1.071 764 HD12 LEU 98 HD12 LEU 98 -0.696 2.246 -0.170 765 HD13 LEU 98 HD13 LEU 98 -1.214 3.832 0.402 766 HD21 LEU 98 HD21 LEU 98 -4.290 2.352 -1.076 767 HD22 LEU 98 HD22 LEU 98 -3.642 3.115 0.375 768 HD23 LEU 98 HD23 LEU 98 -3.084 1.512 -0.102 769 H GLY 99 HN GLY 99 -0.688 3.139 -4.304 770 HA2 GLY 99 HA2 GLY 99 1.772 4.291 -3.167 771 HA3 GLY 99 HA1 GLY 99 1.593 2.640 -3.734 772 HA PRO 100 HA PRO 100 2.280 5.875 -7.421 773 HB2 PRO 100 HB2 PRO 100 4.715 7.007 -6.161 774 HB3 PRO 100 HB1 PRO 100 3.465 7.810 -7.117 775 HG2 PRO 100 HG2 PRO 100 3.604 8.160 -4.476 776 HG3 PRO 100 HG1 PRO 100 2.040 8.040 -5.303 777 HD2 PRO 100 HD2 PRO 100 3.492 5.983 -3.686 778 HD3 PRO 100 HD1 PRO 100 1.757 6.356 -3.741 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 16.105 -17.793 -6.895 2 H2 MET 1 HT2 MET 1 16.198 -19.337 -6.211 3 H3 MET 1 HT3 MET 1 17.269 -18.127 -5.714 4 HA MET 1 HA MET 1 14.336 -18.103 -5.313 5 HB2 MET 1 HB2 MET 1 16.554 -18.457 -3.286 6 HB3 MET 1 HB1 MET 1 14.827 -18.466 -2.959 7 HG2 MET 1 HG2 MET 1 16.356 -20.492 -4.573 8 HG3 MET 1 HG1 MET 1 15.692 -20.715 -2.956 9 HE1 MET 1 HE1 MET 1 15.149 -22.673 -5.498 10 HE2 MET 1 HE2 MET 1 13.446 -23.026 -5.206 11 HE3 MET 1 HE3 MET 1 14.576 -22.960 -3.855 12 HA PRO 2 HA PRO 2 16.077 -13.772 -5.226 13 HB2 PRO 2 HB2 PRO 2 14.007 -12.650 -6.590 14 HB3 PRO 2 HB1 PRO 2 15.426 -13.345 -7.383 15 HG2 PRO 2 HG2 PRO 2 12.720 -14.549 -6.946 16 HG3 PRO 2 HG1 PRO 2 13.742 -14.589 -8.395 17 HD2 PRO 2 HD2 PRO 2 13.581 -16.675 -6.690 18 HD3 PRO 2 HD1 PRO 2 15.075 -16.279 -7.562 19 H PHE 3 HN PHE 3 13.140 -15.317 -4.279 20 HA PHE 3 HA PHE 3 12.126 -13.007 -2.850 21 HB2 PHE 3 HB2 PHE 3 10.332 -14.568 -2.109 22 HB3 PHE 3 HB1 PHE 3 10.494 -14.470 -3.859 23 HD1 PHE 3 HD2 PHE 3 11.048 -16.572 -0.902 24 HD2 PHE 3 HD1 PHE 3 11.185 -16.358 -5.149 25 HE1 PHE 3 HE2 PHE 3 11.259 -19.020 -1.014 26 HE2 PHE 3 HE1 PHE 3 11.395 -18.807 -5.269 27 HZ PHE 3 HZ PHE 3 11.432 -20.140 -3.200 28 H HIS 4 HN HIS 4 14.382 -15.428 -2.271 29 HA HIS 4 HA HIS 4 13.937 -15.557 0.596 30 HB2 HIS 4 HB2 HIS 4 14.675 -17.559 -0.705 31 HB3 HIS 4 HB1 HIS 4 16.199 -16.740 -1.026 32 HD1 HIS 4 HD1 HIS 4 18.003 -17.066 0.660 33 HD2 HIS 4 HD2 HIS 4 14.254 -18.046 2.159 34 HE1 HIS 4 HE1 HIS 4 18.425 -18.057 2.933 35 HE2 HIS 4 HE2 HIS 4 16.145 -18.685 3.803 36 HA PRO 5 HA PRO 5 16.623 -12.041 1.247 37 HB2 PRO 5 HB2 PRO 5 16.719 -12.130 3.946 38 HB3 PRO 5 HB1 PRO 5 15.294 -11.562 3.068 39 HG2 PRO 5 HG2 PRO 5 15.819 -14.242 4.297 40 HG3 PRO 5 HG1 PRO 5 14.345 -13.258 4.347 41 HD2 PRO 5 HD2 PRO 5 14.658 -15.353 2.650 42 HD3 PRO 5 HD1 PRO 5 13.675 -13.931 2.249 43 H VAL 6 HN VAL 6 18.754 -12.012 1.002 44 HA VAL 6 HA VAL 6 20.359 -14.121 2.290 45 HB VAL 6 HB VAL 6 21.052 -12.577 -0.213 46 HG11 VAL 6 HG11 VAL 6 23.012 -13.333 0.997 47 HG12 VAL 6 HG12 VAL 6 22.805 -14.285 -0.474 48 HG13 VAL 6 HG13 VAL 6 22.352 -14.967 1.088 49 HG21 VAL 6 HG21 VAL 6 19.127 -14.040 -0.585 50 HG22 VAL 6 HG22 VAL 6 20.036 -15.404 0.064 51 HG23 VAL 6 HG23 VAL 6 20.556 -14.631 -1.433 52 H THR 7 HN THR 7 22.420 -13.552 3.118 53 HA THR 7 HA THR 7 23.910 -12.280 4.269 54 HB THR 7 HB THR 7 22.932 -9.969 2.580 55 HG1 THR 7 HG1 THR 7 23.936 -10.946 1.004 56 HG21 THR 7 HG21 THR 7 24.240 -9.253 4.504 57 HG22 THR 7 HG22 THR 7 25.179 -9.049 3.025 58 HG23 THR 7 HG23 THR 7 25.507 -10.410 4.097 59 H ALA 8 HN ALA 8 22.791 -12.528 6.218 60 HA ALA 8 HA ALA 8 21.824 -10.055 7.346 61 HB1 ALA 8 HB1 ALA 8 19.676 -10.933 8.092 62 HB2 ALA 8 HB2 ALA 8 19.986 -12.444 7.238 63 HB3 ALA 8 HB3 ALA 8 19.781 -10.946 6.332 64 H ALA 9 HN ALA 9 22.891 -9.935 9.199 65 HA ALA 9 HA ALA 9 23.843 -12.319 10.531 66 HB1 ALA 9 HB1 ALA 9 25.287 -10.346 10.299 67 HB2 ALA 9 HB2 ALA 9 25.045 -10.797 11.987 68 HB3 ALA 9 HB3 ALA 9 24.171 -9.424 11.307 69 H LEU 10 HN LEU 10 21.182 -10.165 10.797 70 HA LEU 10 HA LEU 10 20.639 -10.916 13.564 71 HB2 LEU 10 HB2 LEU 10 20.338 -8.572 12.841 72 HB3 LEU 10 HB1 LEU 10 19.101 -9.094 11.714 73 HG LEU 10 HG LEU 10 17.730 -9.883 13.621 74 HD11 LEU 10 HD11 LEU 10 18.342 -9.181 15.890 75 HD12 LEU 10 HD12 LEU 10 19.895 -8.603 15.283 76 HD13 LEU 10 HD13 LEU 10 19.506 -10.322 15.217 77 HD21 LEU 10 HD21 LEU 10 18.584 -6.995 13.763 78 HD22 LEU 10 HD22 LEU 10 17.091 -7.661 14.424 79 HD23 LEU 10 HD23 LEU 10 17.364 -7.667 12.681 80 H MET 11 HN MET 11 20.112 -13.091 13.383 81 HA MET 11 HA MET 11 17.597 -13.654 11.954 82 HB2 MET 11 HB2 MET 11 19.696 -14.790 11.070 83 HB3 MET 11 HB1 MET 11 19.733 -15.694 12.578 84 HG2 MET 11 HG2 MET 11 17.632 -16.724 12.087 85 HG3 MET 11 HG1 MET 11 17.403 -15.694 10.675 86 HE1 MET 11 HE1 MET 11 20.691 -18.926 10.944 87 HE2 MET 11 HE2 MET 11 19.521 -18.637 12.231 88 HE3 MET 11 HE3 MET 11 20.732 -17.414 11.850 89 H TYR 12 HN TYR 12 17.676 -12.612 14.553 90 HA TYR 12 HA TYR 12 17.329 -14.787 16.430 91 HB2 TYR 12 HB2 TYR 12 18.331 -12.593 17.083 92 HB3 TYR 12 HB1 TYR 12 16.767 -11.837 16.801 93 HD1 TYR 12 HD2 TYR 12 18.562 -14.284 18.918 94 HD2 TYR 12 HD1 TYR 12 15.060 -11.916 18.443 95 HE1 TYR 12 HE2 TYR 12 17.909 -14.796 21.233 96 HE2 TYR 12 HE1 TYR 12 14.397 -12.420 20.756 97 HH TYR 12 HH TYR 12 16.506 -13.828 23.008 98 H ARG 13 HN ARG 13 15.430 -13.175 14.158 99 HA ARG 13 HA ARG 13 13.224 -13.210 13.625 100 HB2 ARG 13 HB2 ARG 13 13.507 -15.643 13.883 101 HB3 ARG 13 HB1 ARG 13 13.117 -15.505 15.591 102 HG2 ARG 13 HG2 ARG 13 10.883 -14.661 14.987 103 HG3 ARG 13 HG1 ARG 13 11.283 -14.889 13.283 104 HD2 ARG 13 HD2 ARG 13 11.168 -17.040 15.395 105 HD3 ARG 13 HD1 ARG 13 9.976 -16.762 14.125 106 HE ARG 13 HE ARG 13 12.691 -17.275 13.236 107 HH11 ARG 13 HH11 ARG 13 9.521 -18.563 13.895 108 HH12 ARG 13 HH12 ARG 13 9.744 -19.965 12.904 109 HH21 ARG 13 HH21 ARG 13 12.994 -19.121 11.930 110 HH22 ARG 13 HH22 ARG 13 11.718 -20.283 11.789 111 H GLY 14 HN GLY 14 12.737 -11.190 14.481 112 HA2 GLY 14 HA2 GLY 14 10.983 -11.282 16.813 113 HA3 GLY 14 HA1 GLY 14 12.380 -10.221 16.924 114 H ILE 15 HN ILE 15 9.581 -9.486 17.011 115 HA ILE 15 HA ILE 15 8.973 -8.242 14.478 116 HB ILE 15 HB ILE 15 7.123 -9.050 15.802 117 HG12 ILE 15 HG12 ILE 15 5.756 -6.965 15.961 118 HG13 ILE 15 HG11 ILE 15 7.224 -6.027 15.708 119 HG21 ILE 15 HG21 ILE 15 8.139 -8.862 18.009 120 HG22 ILE 15 HG22 ILE 15 6.550 -8.100 17.974 121 HG23 ILE 15 HG23 ILE 15 8.005 -7.105 17.929 122 HD11 ILE 15 HD11 ILE 15 5.925 -6.246 13.662 123 HD12 ILE 15 HD12 ILE 15 6.050 -8.001 13.765 124 HD13 ILE 15 HD13 ILE 15 7.498 -7.028 13.510 125 H TYR 16 HN TYR 16 9.440 -6.224 13.864 126 HA TYR 16 HA TYR 16 10.828 -4.499 15.790 127 HB2 TYR 16 HB2 TYR 16 11.619 -3.269 13.764 128 HB3 TYR 16 HB1 TYR 16 12.132 -4.951 13.820 129 HD1 TYR 16 HD2 TYR 16 11.112 -6.606 12.301 130 HD2 TYR 16 HD1 TYR 16 10.162 -2.468 12.035 131 HE1 TYR 16 HE2 TYR 16 10.183 -6.970 10.055 132 HE2 TYR 16 HE1 TYR 16 9.231 -2.822 9.786 133 HH TYR 16 HH TYR 16 8.589 -5.912 8.526 134 H THR 17 HN THR 17 10.013 -2.629 16.454 135 HA THR 17 HA THR 17 7.955 -1.252 14.944 136 HB THR 17 HB THR 17 6.584 -2.778 16.236 137 HG1 THR 17 HG1 THR 17 6.061 -0.420 16.069 138 HG21 THR 17 HG21 THR 17 6.620 -2.781 18.688 139 HG22 THR 17 HG22 THR 17 7.990 -1.671 18.670 140 HG23 THR 17 HG23 THR 17 8.169 -3.302 18.022 141 H VAL 18 HN VAL 18 10.570 -0.536 15.485 142 HA VAL 18 HA VAL 18 11.058 0.982 17.751 143 HB VAL 18 HB VAL 18 12.065 1.688 15.002 144 HG11 VAL 18 HG11 VAL 18 13.291 2.005 17.736 145 HG12 VAL 18 HG12 VAL 18 12.584 3.295 16.764 146 HG13 VAL 18 HG13 VAL 18 14.038 2.465 16.207 147 HG21 VAL 18 HG21 VAL 18 13.949 0.139 15.509 148 HG22 VAL 18 HG22 VAL 18 12.403 -0.669 15.254 149 HG23 VAL 18 HG23 VAL 18 13.026 -0.454 16.890 150 HA PRO 19 HA PRO 19 8.393 4.476 16.976 151 HB2 PRO 19 HB2 PRO 19 8.812 5.699 19.358 152 HB3 PRO 19 HB1 PRO 19 7.807 4.260 19.178 153 HG2 PRO 19 HG2 PRO 19 10.432 4.543 20.434 154 HG3 PRO 19 HG1 PRO 19 9.260 3.226 20.576 155 HD2 PRO 19 HD2 PRO 19 11.642 3.366 18.930 156 HD3 PRO 19 HD1 PRO 19 10.560 1.988 19.201 157 H ASN 20 HN ASN 20 11.401 5.336 18.721 158 HA ASN 20 HA ASN 20 11.555 7.918 17.536 159 HB2 ASN 20 HB2 ASN 20 13.468 6.254 19.156 160 HB3 ASN 20 HB1 ASN 20 13.976 7.785 18.445 161 HD21 ASN 20 HD21 ASN 20 11.920 6.247 20.789 162 HD22 ASN 20 HD22 ASN 20 11.528 7.674 21.682 163 H LEU 21 HN LEU 21 11.309 7.252 15.284 164 HA LEU 21 HA LEU 21 13.805 6.202 14.161 165 HB2 LEU 21 HB2 LEU 21 11.053 5.613 13.622 166 HB3 LEU 21 HB1 LEU 21 11.830 6.209 12.165 167 HG LEU 21 HG LEU 21 13.420 4.217 13.602 168 HD11 LEU 21 HD11 LEU 21 12.008 2.322 12.865 169 HD12 LEU 21 HD12 LEU 21 10.723 3.471 12.494 170 HD13 LEU 21 HD13 LEU 21 11.287 3.283 14.156 171 HD21 LEU 21 HD21 LEU 21 12.467 4.545 10.759 172 HD22 LEU 21 HD22 LEU 21 13.548 3.265 11.305 173 HD23 LEU 21 HD23 LEU 21 14.058 4.951 11.405 174 H LEU 22 HN LEU 22 13.433 8.959 14.952 175 HA LEU 22 HA LEU 22 12.937 10.615 12.726 176 HB2 LEU 22 HB2 LEU 22 14.329 12.294 13.966 177 HB3 LEU 22 HB1 LEU 22 13.010 11.615 14.897 178 HG LEU 22 HG LEU 22 14.868 9.966 15.764 179 HD11 LEU 22 HD11 LEU 22 16.473 12.363 14.892 180 HD12 LEU 22 HD12 LEU 22 16.636 10.715 14.289 181 HD13 LEU 22 HD13 LEU 22 17.047 11.085 15.963 182 HD21 LEU 22 HD21 LEU 22 15.295 11.492 17.622 183 HD22 LEU 22 HD22 LEU 22 13.597 11.515 17.150 184 HD23 LEU 22 HD23 LEU 22 14.663 12.835 16.669 185 H SER 23 HN SER 23 15.366 8.458 13.512 186 HA SER 23 HA SER 23 17.339 9.559 11.662 187 HB2 SER 23 HB2 SER 23 18.162 8.821 13.850 188 HB3 SER 23 HB1 SER 23 17.467 7.220 13.593 189 HG SER 23 HG SER 23 19.328 6.774 12.730 190 H GLU 24 HN GLU 24 14.706 8.331 10.966 191 HA GLU 24 HA GLU 24 14.757 5.783 9.983 192 HB2 GLU 24 HB2 GLU 24 12.809 7.350 9.972 193 HB3 GLU 24 HB1 GLU 24 13.502 8.127 8.556 194 HG2 GLU 24 HG2 GLU 24 13.339 6.014 7.328 195 HG3 GLU 24 HG1 GLU 24 12.619 5.255 8.747 196 H GLN 25 HN GLN 25 16.777 8.293 8.951 197 HA GLN 25 HA GLN 25 18.445 8.340 7.400 198 HB2 GLN 25 HB2 GLN 25 17.514 5.541 6.738 199 HB3 GLN 25 HB1 GLN 25 18.965 6.297 6.096 200 HG2 GLN 25 HG2 GLN 25 19.944 6.397 8.267 201 HG3 GLN 25 HG1 GLN 25 18.452 5.827 9.016 202 HE21 GLN 25 HE21 GLN 25 19.406 4.044 9.947 203 HE22 GLN 25 HE22 GLN 25 19.946 2.685 9.027 204 H ARG 26 HN ARG 26 18.553 7.349 4.826 205 HA ARG 26 HA ARG 26 17.256 9.225 3.316 206 HB2 ARG 26 HB2 ARG 26 18.472 6.573 2.775 207 HB3 ARG 26 HB1 ARG 26 17.511 7.295 1.489 208 HG2 ARG 26 HG2 ARG 26 18.932 9.294 1.574 209 HG3 ARG 26 HG1 ARG 26 19.906 8.533 2.836 210 HD2 ARG 26 HD2 ARG 26 20.470 6.714 1.293 211 HD3 ARG 26 HD1 ARG 26 19.508 7.486 0.034 212 HE ARG 26 HE ARG 26 21.334 9.380 0.835 213 HH11 ARG 26 HH11 ARG 26 21.458 6.159 -0.486 214 HH12 ARG 26 HH12 ARG 26 22.954 6.418 -1.319 215 HH21 ARG 26 HH21 ARG 26 23.304 9.733 -0.258 216 HH22 ARG 26 HH22 ARG 26 24.005 8.451 -1.188 217 HA PRO 27 HA PRO 27 13.067 7.789 3.014 218 HB2 PRO 27 HB2 PRO 27 12.592 9.294 0.626 219 HB3 PRO 27 HB1 PRO 27 12.205 9.746 2.286 220 HG2 PRO 27 HG2 PRO 27 14.087 11.009 0.708 221 HG3 PRO 27 HG1 PRO 27 14.051 11.062 2.478 222 HD2 PRO 27 HD2 PRO 27 15.726 9.375 0.662 223 HD3 PRO 27 HD1 PRO 27 16.163 10.161 2.196 224 H VAL 28 HN VAL 28 15.326 6.430 1.346 225 HA VAL 28 HA VAL 28 13.917 5.555 -1.016 226 HB VAL 28 HB VAL 28 15.892 4.033 -1.311 227 HG11 VAL 28 HG11 VAL 28 17.442 5.838 -1.886 228 HG12 VAL 28 HG12 VAL 28 16.488 6.965 -0.923 229 HG13 VAL 28 HG13 VAL 28 15.791 6.231 -2.367 230 HG21 VAL 28 HG21 VAL 28 17.874 4.491 0.103 231 HG22 VAL 28 HG22 VAL 28 16.548 3.740 0.992 232 HG23 VAL 28 HG23 VAL 28 16.856 5.468 1.161 233 H ASP 29 HN ASP 29 12.577 3.898 -1.144 234 HA ASP 29 HA ASP 29 11.317 2.094 -0.568 235 HB2 ASP 29 HB2 ASP 29 13.981 1.109 0.475 236 HB3 ASP 29 HB1 ASP 29 12.573 0.098 0.157 237 H ILE 30 HN ILE 30 10.065 3.248 0.990 238 HA ILE 30 HA ILE 30 10.821 3.374 3.731 239 HB ILE 30 HB ILE 30 8.015 3.559 2.634 240 HG12 ILE 30 HG12 ILE 30 9.514 5.107 1.432 241 HG13 ILE 30 HG11 ILE 30 8.375 5.973 2.457 242 HG21 ILE 30 HG21 ILE 30 8.105 3.331 5.035 243 HG22 ILE 30 HG22 ILE 30 7.648 4.982 4.616 244 HG23 ILE 30 HG23 ILE 30 9.293 4.630 5.145 245 HD11 ILE 30 HD11 ILE 30 10.121 6.298 4.126 246 HD12 ILE 30 HD12 ILE 30 10.596 6.954 2.560 247 HD13 ILE 30 HD13 ILE 30 11.261 5.417 3.110 248 HA PRO 31 HA PRO 31 9.987 -0.838 4.911 249 HB2 PRO 31 HB2 PRO 31 9.408 -0.296 7.572 250 HB3 PRO 31 HB1 PRO 31 11.025 -0.562 6.916 251 HG2 PRO 31 HG2 PRO 31 9.619 2.007 7.507 252 HG3 PRO 31 HG1 PRO 31 11.321 1.573 7.761 253 HD2 PRO 31 HD2 PRO 31 10.579 3.105 5.702 254 HD3 PRO 31 HD1 PRO 31 11.860 1.889 5.522 255 H GLU 32 HN GLU 32 8.260 -2.141 5.324 256 HA GLU 32 HA GLU 32 5.736 -1.458 4.559 257 HB2 GLU 32 HB2 GLU 32 6.597 -3.766 4.856 258 HB3 GLU 32 HB1 GLU 32 6.414 -3.585 6.594 259 HG2 GLU 32 HG2 GLU 32 4.030 -3.382 6.374 260 HG3 GLU 32 HG1 GLU 32 4.157 -3.390 4.614 261 H ASP 33 HN ASP 33 7.196 -0.470 7.437 262 HA ASP 33 HA ASP 33 5.178 -0.439 9.317 263 HB2 ASP 33 HB2 ASP 33 7.475 0.290 9.784 264 HB3 ASP 33 HB1 ASP 33 7.228 1.725 8.793 265 H GLU 34 HN GLU 34 5.703 1.789 6.613 266 HA GLU 34 HA GLU 34 3.497 3.485 7.359 267 HB2 GLU 34 HB2 GLU 34 3.961 4.718 5.357 268 HB3 GLU 34 HB1 GLU 34 5.499 4.307 6.099 269 HG2 GLU 34 HG2 GLU 34 6.107 2.924 4.409 270 HG3 GLU 34 HG1 GLU 34 4.448 2.446 4.053 271 H LEU 35 HN LEU 35 3.918 0.595 5.602 272 HA LEU 35 HA LEU 35 1.613 0.826 3.914 273 HB2 LEU 35 HB2 LEU 35 3.515 -0.608 3.326 274 HB3 LEU 35 HB1 LEU 35 3.208 -1.604 4.734 275 HG LEU 35 HG LEU 35 0.977 -1.308 2.798 276 HD11 LEU 35 HD11 LEU 35 1.890 -3.041 1.342 277 HD12 LEU 35 HD12 LEU 35 3.406 -3.007 2.242 278 HD13 LEU 35 HD13 LEU 35 2.898 -1.593 1.319 279 HD21 LEU 35 HD21 LEU 35 2.121 -3.635 4.343 280 HD22 LEU 35 HD22 LEU 35 0.642 -3.659 3.382 281 HD23 LEU 35 HD23 LEU 35 0.739 -2.650 4.825 282 H GLU 36 HN GLU 36 2.253 -0.303 7.140 283 HA GLU 36 HA GLU 36 0.056 -1.942 7.601 284 HB2 GLU 36 HB2 GLU 36 1.384 -0.037 9.536 285 HB3 GLU 36 HB1 GLU 36 0.342 -1.383 9.978 286 HG2 GLU 36 HG2 GLU 36 2.989 -1.600 8.566 287 HG3 GLU 36 HG1 GLU 36 2.698 -1.920 10.275 288 H GLU 37 HN GLU 37 0.277 1.548 7.478 289 HA GLU 37 HA GLU 37 -2.196 2.137 8.708 290 HB2 GLU 37 HB2 GLU 37 -0.441 3.655 6.793 291 HB3 GLU 37 HB1 GLU 37 -1.974 4.310 7.352 292 HG2 GLU 37 HG2 GLU 37 -0.163 5.185 8.675 293 HG3 GLU 37 HG1 GLU 37 -1.189 4.149 9.666 294 H ILE 38 HN ILE 38 -1.311 1.299 5.421 295 HA ILE 38 HA ILE 38 -3.700 2.058 4.138 296 HB ILE 38 HB ILE 38 -2.052 -0.315 3.298 297 HG12 ILE 38 HG12 ILE 38 -1.411 2.609 2.848 298 HG13 ILE 38 HG11 ILE 38 -0.497 1.498 3.861 299 HG21 ILE 38 HG21 ILE 38 -3.532 1.788 1.723 300 HG22 ILE 38 HG22 ILE 38 -4.116 0.160 2.062 301 HG23 ILE 38 HG23 ILE 38 -2.685 0.392 1.058 302 HD11 ILE 38 HD11 ILE 38 0.042 0.162 1.873 303 HD12 ILE 38 HD12 ILE 38 0.624 1.823 1.754 304 HD13 ILE 38 HD13 ILE 38 -0.825 1.330 0.876 305 H ARG 39 HN ARG 39 -2.640 -1.114 5.342 306 HA ARG 39 HA ARG 39 -5.049 -2.460 4.780 307 HB2 ARG 39 HB2 ARG 39 -2.821 -3.081 6.718 308 HB3 ARG 39 HB1 ARG 39 -4.155 -4.177 6.381 309 HG2 ARG 39 HG2 ARG 39 -3.430 -4.627 4.249 310 HG3 ARG 39 HG1 ARG 39 -2.531 -3.116 4.124 311 HD2 ARG 39 HD2 ARG 39 -0.892 -4.783 4.321 312 HD3 ARG 39 HD1 ARG 39 -1.004 -4.063 5.927 313 HE ARG 39 HE ARG 39 -2.725 -6.168 6.025 314 HH11 ARG 39 HH11 ARG 39 0.641 -5.811 5.195 315 HH12 ARG 39 HH12 ARG 39 1.072 -7.402 5.726 316 HH21 ARG 39 HH21 ARG 39 -2.165 -8.262 6.726 317 HH22 ARG 39 HH22 ARG 39 -0.522 -8.794 6.597 318 H GLU 40 HN GLU 40 -3.765 -1.658 8.014 319 HA GLU 40 HA GLU 40 -5.860 -2.258 9.583 320 HB2 GLU 40 HB2 GLU 40 -3.718 -1.259 10.348 321 HB3 GLU 40 HB1 GLU 40 -4.303 0.318 9.836 322 HG2 GLU 40 HG2 GLU 40 -6.173 0.106 11.427 323 HG3 GLU 40 HG1 GLU 40 -5.495 -1.426 11.978 324 H ALA 41 HN ALA 41 -5.752 0.460 7.375 325 HA ALA 41 HA ALA 41 -7.962 1.880 8.408 326 HB1 ALA 41 HB1 ALA 41 -6.895 1.846 5.592 327 HB2 ALA 41 HB2 ALA 41 -6.329 2.885 6.900 328 HB3 ALA 41 HB3 ALA 41 -7.971 3.060 6.282 329 H PHE 42 HN PHE 42 -8.022 0.346 5.192 330 HA PHE 42 HA PHE 42 -10.869 0.027 5.388 331 HB2 PHE 42 HB2 PHE 42 -8.838 -0.561 3.256 332 HB3 PHE 42 HB1 PHE 42 -10.512 -1.078 3.091 333 HD1 PHE 42 HD2 PHE 42 -8.463 1.952 3.776 334 HD2 PHE 42 HD1 PHE 42 -12.069 0.356 2.179 335 HE1 PHE 42 HE2 PHE 42 -9.073 4.183 2.936 336 HE2 PHE 42 HE1 PHE 42 -12.687 2.584 1.336 337 HZ PHE 42 HZ PHE 42 -11.190 4.500 1.716 338 H LYS 43 HN LYS 43 -8.096 -2.072 5.702 339 HA LYS 43 HA LYS 43 -9.287 -4.549 5.341 340 HB2 LYS 43 HB2 LYS 43 -6.790 -3.782 5.953 341 HB3 LYS 43 HB1 LYS 43 -7.311 -4.315 7.547 342 HG2 LYS 43 HG2 LYS 43 -6.177 -6.101 6.369 343 HG3 LYS 43 HG1 LYS 43 -7.873 -6.510 6.630 344 HD2 LYS 43 HD2 LYS 43 -7.109 -7.111 4.369 345 HD3 LYS 43 HD1 LYS 43 -8.402 -5.913 4.338 346 HE2 LYS 43 HE2 LYS 43 -6.710 -4.137 4.046 347 HE3 LYS 43 HE1 LYS 43 -5.451 -5.373 4.005 348 HZ1 LYS 43 HZ1 LYS 43 -6.110 -4.674 1.782 349 HZ2 LYS 43 HZ2 LYS 43 -7.703 -5.155 2.081 350 HZ3 LYS 43 HZ3 LYS 43 -6.468 -6.308 2.033 351 H VAL 44 HN VAL 44 -9.243 -2.502 8.261 352 HA VAL 44 HA VAL 44 -10.524 -4.477 9.877 353 HB VAL 44 HB VAL 44 -10.886 -2.733 11.526 354 HG11 VAL 44 HG11 VAL 44 -8.168 -2.634 10.231 355 HG12 VAL 44 HG12 VAL 44 -8.708 -3.741 11.493 356 HG13 VAL 44 HG13 VAL 44 -8.533 -2.021 11.844 357 HG21 VAL 44 HG21 VAL 44 -11.533 -0.908 10.069 358 HG22 VAL 44 HG22 VAL 44 -9.901 -0.830 9.409 359 HG23 VAL 44 HG23 VAL 44 -10.189 -0.417 11.098 360 H PHE 45 HN PHE 45 -11.688 -1.789 7.883 361 HA PHE 45 HA PHE 45 -14.347 -1.790 8.793 362 HB2 PHE 45 HB2 PHE 45 -13.195 -1.078 6.090 363 HB3 PHE 45 HB1 PHE 45 -14.890 -0.851 6.506 364 HD1 PHE 45 HD1 PHE 45 -14.923 0.227 9.131 365 HD2 PHE 45 HD2 PHE 45 -12.127 0.951 6.009 366 HE1 PHE 45 HE1 PHE 45 -14.397 2.419 10.117 367 HE2 PHE 45 HE2 PHE 45 -11.591 3.142 6.990 368 HZ PHE 45 HZ PHE 45 -12.728 3.880 9.047 369 H ASP 46 HN ASP 46 -12.618 -4.098 6.982 370 HA ASP 46 HA ASP 46 -14.807 -5.290 5.601 371 HB2 ASP 46 HB2 ASP 46 -12.462 -5.627 4.908 372 HB3 ASP 46 HB1 ASP 46 -12.147 -6.493 6.408 373 H ARG 47 HN ARG 47 -16.466 -5.595 7.057 374 HA ARG 47 HA ARG 47 -16.277 -6.709 9.604 375 HB2 ARG 47 HB2 ARG 47 -18.625 -6.906 7.716 376 HB3 ARG 47 HB1 ARG 47 -18.674 -7.032 9.469 377 HG2 ARG 47 HG2 ARG 47 -17.997 -4.713 9.684 378 HG3 ARG 47 HG1 ARG 47 -17.853 -4.576 7.931 379 HD2 ARG 47 HD2 ARG 47 -20.229 -4.994 7.678 380 HD3 ARG 47 HD1 ARG 47 -20.394 -5.224 9.419 381 HE ARG 47 HE ARG 47 -19.392 -2.748 9.290 382 HH11 ARG 47 HH11 ARG 47 -22.002 -4.267 7.552 383 HH12 ARG 47 HH12 ARG 47 -22.900 -2.798 7.360 384 HH21 ARG 47 HH21 ARG 47 -20.568 -0.811 9.044 385 HH22 ARG 47 HH22 ARG 47 -22.086 -0.834 8.208 386 H ASP 48 HN ASP 48 -16.596 -8.281 6.460 387 HA ASP 48 HA ASP 48 -17.044 -10.878 7.577 388 HB2 ASP 48 HB2 ASP 48 -16.156 -10.139 4.782 389 HB3 ASP 48 HB1 ASP 48 -16.816 -11.691 5.290 390 H GLY 49 HN GLY 49 -14.276 -8.955 6.994 391 HA2 GLY 49 HA2 GLY 49 -12.031 -9.337 7.259 392 HA3 GLY 49 HA1 GLY 49 -12.510 -10.662 8.309 393 H ASN 50 HN ASN 50 -13.631 -10.838 5.068 394 HA ASN 50 HA ASN 50 -12.013 -13.183 4.614 395 HB2 ASN 50 HB2 ASN 50 -13.303 -13.345 2.485 396 HB3 ASN 50 HB1 ASN 50 -14.323 -13.267 3.916 397 HD21 ASN 50 HD21 ASN 50 -15.119 -12.676 1.266 398 HD22 ASN 50 HD22 ASN 50 -15.581 -11.012 1.214 399 H GLY 51 HN GLY 51 -11.340 -10.017 4.336 400 HA2 GLY 51 HA2 GLY 51 -9.309 -9.204 3.437 401 HA3 GLY 51 HA1 GLY 51 -9.312 -10.534 2.289 402 H PHE 52 HN PHE 52 -12.305 -9.760 1.904 403 HA PHE 52 HA PHE 52 -11.754 -7.621 -0.047 404 HB2 PHE 52 HB2 PHE 52 -14.096 -9.499 -0.232 405 HB3 PHE 52 HB1 PHE 52 -13.337 -8.552 -1.506 406 HD1 PHE 52 HD2 PHE 52 -13.147 -11.601 0.492 407 HD2 PHE 52 HD1 PHE 52 -11.323 -9.316 -2.599 408 HE1 PHE 52 HE2 PHE 52 -11.794 -13.553 -0.143 409 HE2 PHE 52 HE1 PHE 52 -9.966 -11.265 -3.244 410 HZ PHE 52 HZ PHE 52 -10.200 -13.386 -2.015 411 H ILE 53 HN ILE 53 -13.095 -5.860 -0.153 412 HA ILE 53 HA ILE 53 -15.080 -5.621 2.016 413 HB ILE 53 HB ILE 53 -13.466 -3.440 0.684 414 HG12 ILE 53 HG12 ILE 53 -13.316 -4.124 3.595 415 HG13 ILE 53 HG11 ILE 53 -12.432 -5.118 2.439 416 HG21 ILE 53 HG21 ILE 53 -15.453 -3.282 2.947 417 HG22 ILE 53 HG22 ILE 53 -15.681 -2.651 1.315 418 HG23 ILE 53 HG23 ILE 53 -14.449 -1.953 2.366 419 HD11 ILE 53 HD11 ILE 53 -11.287 -3.103 1.627 420 HD12 ILE 53 HD12 ILE 53 -10.999 -3.411 3.340 421 HD13 ILE 53 HD13 ILE 53 -12.137 -2.155 2.850 422 H SER 54 HN SER 54 -17.072 -5.822 1.243 423 HA SER 54 HA SER 54 -17.782 -5.368 -1.472 424 HB2 SER 54 HB2 SER 54 -18.974 -6.988 -0.040 425 HB3 SER 54 HB1 SER 54 -19.579 -5.660 0.951 426 HG SER 54 HG SER 54 -20.055 -5.860 -1.835 427 H LYS 55 HN LYS 55 -19.953 -3.956 -1.778 428 HA LYS 55 HA LYS 55 -19.117 -1.269 -1.577 429 HB2 LYS 55 HB2 LYS 55 -21.896 -2.315 -2.144 430 HB3 LYS 55 HB1 LYS 55 -21.297 -0.706 -2.513 431 HG2 LYS 55 HG2 LYS 55 -21.018 -1.619 -4.555 432 HG3 LYS 55 HG1 LYS 55 -19.487 -2.140 -3.852 433 HD2 LYS 55 HD2 LYS 55 -20.431 -4.040 -4.912 434 HD3 LYS 55 HD1 LYS 55 -20.654 -4.269 -3.176 435 HE2 LYS 55 HE2 LYS 55 -22.956 -3.516 -3.351 436 HE3 LYS 55 HE1 LYS 55 -22.741 -3.200 -5.072 437 HZ1 LYS 55 HZ1 LYS 55 -22.575 -5.858 -3.755 438 HZ2 LYS 55 HZ2 LYS 55 -22.325 -5.568 -5.402 439 HZ3 LYS 55 HZ3 LYS 55 -23.851 -5.303 -4.719 440 H GLN 56 HN GLN 56 -21.619 -3.097 0.161 441 HA GLN 56 HA GLN 56 -22.610 -1.009 1.726 442 HB2 GLN 56 HB2 GLN 56 -22.471 -3.982 2.191 443 HB3 GLN 56 HB1 GLN 56 -23.244 -2.894 3.334 444 HG2 GLN 56 HG2 GLN 56 -24.881 -3.902 1.868 445 HG3 GLN 56 HG1 GLN 56 -24.796 -2.164 1.600 446 HE21 GLN 56 HE21 GLN 56 -23.953 -1.382 -0.326 447 HE22 GLN 56 HE22 GLN 56 -23.731 -2.389 -1.712 448 H GLU 57 HN GLU 57 -19.816 -3.090 2.193 449 HA GLU 57 HA GLU 57 -19.289 -2.239 4.866 450 HB2 GLU 57 HB2 GLU 57 -17.484 -3.562 2.833 451 HB3 GLU 57 HB1 GLU 57 -17.100 -3.353 4.536 452 HG2 GLU 57 HG2 GLU 57 -18.946 -4.780 5.164 453 HG3 GLU 57 HG1 GLU 57 -19.435 -4.931 3.477 454 H LEU 58 HN LEU 58 -17.861 -1.421 1.706 455 HA LEU 58 HA LEU 58 -16.009 0.458 2.695 456 HB2 LEU 58 HB2 LEU 58 -16.089 -0.611 0.376 457 HB3 LEU 58 HB1 LEU 58 -17.304 0.590 -0.023 458 HG LEU 58 HG LEU 58 -15.160 2.030 1.077 459 HD11 LEU 58 HD11 LEU 58 -14.222 -0.069 -0.870 460 HD12 LEU 58 HD12 LEU 58 -13.697 0.141 0.800 461 HD13 LEU 58 HD13 LEU 58 -13.302 1.363 -0.409 462 HD21 LEU 58 HD21 LEU 58 -14.963 2.912 -1.215 463 HD22 LEU 58 HD22 LEU 58 -16.635 2.833 -0.662 464 HD23 LEU 58 HD23 LEU 58 -16.020 1.621 -1.784 465 H GLY 59 HN GLY 59 -19.403 0.578 2.277 466 HA2 GLY 59 HA2 GLY 59 -19.759 3.364 1.900 467 HA3 GLY 59 HA1 GLY 59 -20.958 2.252 2.550 468 H THR 60 HN THR 60 -18.977 1.434 4.651 469 HA THR 60 HA THR 60 -19.725 3.435 6.596 470 HB THR 60 HB THR 60 -18.069 0.922 6.944 471 HG1 THR 60 HG1 THR 60 -20.534 1.005 6.335 472 HG21 THR 60 HG21 THR 60 -19.424 2.691 8.985 473 HG22 THR 60 HG22 THR 60 -17.685 2.549 8.727 474 HG23 THR 60 HG23 THR 60 -18.603 1.169 9.328 475 H ALA 61 HN ALA 61 -16.870 2.365 4.885 476 HA ALA 61 HA ALA 61 -14.950 3.764 6.428 477 HB1 ALA 61 HB1 ALA 61 -13.431 3.367 4.581 478 HB2 ALA 61 HB2 ALA 61 -14.785 2.954 3.527 479 HB3 ALA 61 HB3 ALA 61 -14.387 1.918 4.898 480 H MET 62 HN MET 62 -16.722 4.607 3.468 481 HA MET 62 HA MET 62 -15.472 7.082 3.015 482 HB2 MET 62 HB2 MET 62 -18.232 6.128 2.238 483 HB3 MET 62 HB1 MET 62 -17.455 7.570 1.599 484 HG2 MET 62 HG2 MET 62 -16.295 4.810 1.341 485 HG3 MET 62 HG1 MET 62 -17.354 5.541 0.137 486 HE1 MET 62 HE1 MET 62 -15.261 8.544 -1.160 487 HE2 MET 62 HE2 MET 62 -16.498 8.560 0.096 488 HE3 MET 62 HE3 MET 62 -16.729 7.586 -1.355 489 H ARG 63 HN ARG 63 -18.552 6.316 4.644 490 HA ARG 63 HA ARG 63 -19.202 8.977 5.299 491 HB2 ARG 63 HB2 ARG 63 -20.827 8.046 6.833 492 HB3 ARG 63 HB1 ARG 63 -20.825 7.111 5.345 493 HG2 ARG 63 HG2 ARG 63 -19.514 5.371 6.412 494 HG3 ARG 63 HG1 ARG 63 -19.439 6.320 7.898 495 HD2 ARG 63 HD2 ARG 63 -21.928 5.209 6.605 496 HD3 ARG 63 HD1 ARG 63 -21.150 4.602 8.066 497 HE ARG 63 HE ARG 63 -21.679 7.223 8.610 498 HH11 ARG 63 HH11 ARG 63 -23.592 4.484 7.612 499 HH12 ARG 63 HH12 ARG 63 -25.032 5.046 8.391 500 HH21 ARG 63 HH21 ARG 63 -23.572 7.967 9.637 501 HH22 ARG 63 HH22 ARG 63 -25.021 7.023 9.540 502 H SER 64 HN SER 64 -17.071 6.670 6.768 503 HA SER 64 HA SER 64 -16.865 7.658 9.353 504 HB2 SER 64 HB2 SER 64 -15.768 5.584 8.616 505 HB3 SER 64 HB1 SER 64 -14.643 6.525 7.638 506 HG SER 64 HG SER 64 -13.837 7.448 9.537 507 H LEU 65 HN LEU 65 -15.372 8.807 6.379 508 HA LEU 65 HA LEU 65 -13.704 10.745 7.664 509 HB2 LEU 65 HB2 LEU 65 -14.607 10.756 4.789 510 HB3 LEU 65 HB1 LEU 65 -13.179 11.518 5.461 511 HG LEU 65 HG LEU 65 -13.652 8.550 5.176 512 HD11 LEU 65 HD11 LEU 65 -13.164 9.619 3.065 513 HD12 LEU 65 HD12 LEU 65 -11.765 8.687 3.600 514 HD13 LEU 65 HD13 LEU 65 -11.773 10.442 3.772 515 HD21 LEU 65 HD21 LEU 65 -12.387 8.963 7.187 516 HD22 LEU 65 HD22 LEU 65 -11.309 10.061 6.327 517 HD23 LEU 65 HD23 LEU 65 -11.308 8.340 5.939 518 H GLY 66 HN GLY 66 -17.002 10.600 6.886 519 HA2 GLY 66 HA2 GLY 66 -18.426 12.316 7.874 520 HA3 GLY 66 HA1 GLY 66 -17.248 13.506 7.344 521 H TYR 67 HN TYR 67 -17.934 10.951 5.160 522 HA TYR 67 HA TYR 67 -19.718 12.721 3.621 523 HB2 TYR 67 HB2 TYR 67 -17.561 10.896 2.540 524 HB3 TYR 67 HB1 TYR 67 -18.679 11.840 1.562 525 HD1 TYR 67 HD2 TYR 67 -18.551 14.344 1.637 526 HD2 TYR 67 HD1 TYR 67 -15.597 11.867 3.437 527 HE1 TYR 67 HE2 TYR 67 -16.994 16.248 1.688 528 HE2 TYR 67 HE1 TYR 67 -14.033 13.763 3.493 529 HH TYR 67 HH TYR 67 -13.683 15.896 2.315 530 H MET 68 HN MET 68 -21.637 11.754 4.126 531 HA MET 68 HA MET 68 -22.059 8.971 4.302 532 HB2 MET 68 HB2 MET 68 -23.550 10.644 5.328 533 HB3 MET 68 HB1 MET 68 -24.059 11.164 3.728 534 HG2 MET 68 HG2 MET 68 -25.723 9.722 4.707 535 HG3 MET 68 HG1 MET 68 -24.990 8.940 3.307 536 HE1 MET 68 HE1 MET 68 -26.743 7.425 5.472 537 HE2 MET 68 HE2 MET 68 -25.800 5.964 5.771 538 HE3 MET 68 HE3 MET 68 -26.001 6.563 4.124 539 HA PRO 69 HA PRO 69 -22.160 8.422 -0.185 540 HB2 PRO 69 HB2 PRO 69 -21.526 5.833 -0.242 541 HB3 PRO 69 HB1 PRO 69 -20.318 7.057 0.163 542 HG2 PRO 69 HG2 PRO 69 -21.819 5.205 1.959 543 HG3 PRO 69 HG1 PRO 69 -20.134 5.743 2.057 544 HD2 PRO 69 HD2 PRO 69 -22.263 6.790 3.525 545 HD3 PRO 69 HD1 PRO 69 -20.691 7.575 3.282 546 H ASN 70 HN ASN 70 -23.940 8.119 -1.353 547 HA ASN 70 HA ASN 70 -26.290 6.919 -0.272 548 HB2 ASN 70 HB2 ASN 70 -25.685 7.735 -3.124 549 HB3 ASN 70 HB1 ASN 70 -27.280 7.386 -2.470 550 HD21 ASN 70 HD21 ASN 70 -27.085 8.648 -0.040 551 HD22 ASN 70 HD22 ASN 70 -26.985 10.354 -0.288 552 H GLU 71 HN GLU 71 -27.421 5.078 -1.123 553 HA GLU 71 HA GLU 71 -25.823 2.803 -1.491 554 HB2 GLU 71 HB2 GLU 71 -27.912 1.636 -2.048 555 HB3 GLU 71 HB1 GLU 71 -28.118 2.670 -0.641 556 HG2 GLU 71 HG2 GLU 71 -29.248 4.328 -1.966 557 HG3 GLU 71 HG1 GLU 71 -28.938 3.411 -3.439 558 H VAL 72 HN VAL 72 -26.804 5.242 -3.619 559 HA VAL 72 HA VAL 72 -26.452 3.664 -6.035 560 HB VAL 72 HB VAL 72 -28.242 5.278 -6.074 561 HG11 VAL 72 HG11 VAL 72 -27.411 6.808 -4.369 562 HG12 VAL 72 HG12 VAL 72 -27.841 7.683 -5.839 563 HG13 VAL 72 HG13 VAL 72 -26.147 7.363 -5.468 564 HG21 VAL 72 HG21 VAL 72 -25.943 6.263 -7.764 565 HG22 VAL 72 HG22 VAL 72 -27.656 6.568 -8.059 566 HG23 VAL 72 HG23 VAL 72 -27.019 4.927 -8.168 567 H GLU 73 HN GLU 73 -24.748 6.009 -4.086 568 HA GLU 73 HA GLU 73 -22.763 6.653 -6.038 569 HB2 GLU 73 HB2 GLU 73 -22.802 7.039 -3.042 570 HB3 GLU 73 HB1 GLU 73 -21.560 7.679 -4.110 571 HG2 GLU 73 HG2 GLU 73 -24.481 8.401 -4.093 572 HG3 GLU 73 HG1 GLU 73 -23.129 9.411 -3.587 573 H LEU 74 HN LEU 74 -22.758 4.576 -3.141 574 HA LEU 74 HA LEU 74 -20.123 3.728 -3.266 575 HB2 LEU 74 HB2 LEU 74 -20.998 1.635 -2.106 576 HB3 LEU 74 HB1 LEU 74 -21.272 3.176 -1.319 577 HG LEU 74 HG LEU 74 -23.598 3.105 -2.429 578 HD11 LEU 74 HD11 LEU 74 -22.871 0.185 -2.595 579 HD12 LEU 74 HD12 LEU 74 -23.120 1.262 -3.968 580 HD13 LEU 74 HD13 LEU 74 -24.463 0.884 -2.890 581 HD21 LEU 74 HD21 LEU 74 -23.253 2.888 -0.043 582 HD22 LEU 74 HD22 LEU 74 -22.848 1.182 -0.231 583 HD23 LEU 74 HD23 LEU 74 -24.483 1.744 -0.582 584 H GLU 75 HN GLU 75 -22.596 3.097 -5.487 585 HA GLU 75 HA GLU 75 -21.616 0.540 -6.378 586 HB2 GLU 75 HB2 GLU 75 -23.574 2.456 -7.653 587 HB3 GLU 75 HB1 GLU 75 -23.242 0.826 -8.221 588 HG2 GLU 75 HG2 GLU 75 -24.039 -0.049 -6.053 589 HG3 GLU 75 HG1 GLU 75 -24.460 1.595 -5.580 590 H VAL 76 HN VAL 76 -21.278 3.910 -7.379 591 HA VAL 76 HA VAL 76 -19.777 3.186 -9.743 592 HB VAL 76 HB VAL 76 -19.539 5.579 -10.140 593 HG11 VAL 76 HG11 VAL 76 -21.587 4.449 -10.861 594 HG12 VAL 76 HG12 VAL 76 -21.891 6.133 -10.433 595 HG13 VAL 76 HG13 VAL 76 -22.345 4.843 -9.318 596 HG21 VAL 76 HG21 VAL 76 -20.464 7.237 -8.652 597 HG22 VAL 76 HG22 VAL 76 -19.293 6.255 -7.770 598 HG23 VAL 76 HG23 VAL 76 -21.020 5.982 -7.546 599 H ILE 77 HN ILE 77 -19.117 3.954 -6.463 600 HA ILE 77 HA ILE 77 -16.384 4.761 -6.902 601 HB ILE 77 HB ILE 77 -17.859 4.071 -4.360 602 HG12 ILE 77 HG12 ILE 77 -16.973 6.830 -4.920 603 HG13 ILE 77 HG11 ILE 77 -18.241 6.224 -5.981 604 HG21 ILE 77 HG21 ILE 77 -15.488 3.716 -4.048 605 HG22 ILE 77 HG22 ILE 77 -15.985 5.187 -3.209 606 HG23 ILE 77 HG23 ILE 77 -15.132 5.296 -4.750 607 HD11 ILE 77 HD11 ILE 77 -19.594 5.675 -4.012 608 HD12 ILE 77 HD12 ILE 77 -19.205 7.392 -4.113 609 HD13 ILE 77 HD13 ILE 77 -18.337 6.356 -2.979 610 H ILE 78 HN ILE 78 -18.089 1.805 -6.161 611 HA ILE 78 HA ILE 78 -15.690 0.372 -5.414 612 HB ILE 78 HB ILE 78 -18.570 -0.438 -5.716 613 HG12 ILE 78 HG12 ILE 78 -17.844 0.806 -3.689 614 HG13 ILE 78 HG11 ILE 78 -18.443 -0.808 -3.327 615 HG21 ILE 78 HG21 ILE 78 -17.342 -2.340 -6.516 616 HG22 ILE 78 HG22 ILE 78 -17.911 -2.684 -4.884 617 HG23 ILE 78 HG23 ILE 78 -16.225 -2.247 -5.155 618 HD11 ILE 78 HD11 ILE 78 -15.545 -0.019 -3.505 619 HD12 ILE 78 HD12 ILE 78 -16.166 -1.618 -3.094 620 HD13 ILE 78 HD13 ILE 78 -16.465 -0.252 -2.018 621 H GLN 79 HN GLN 79 -17.399 1.030 -8.335 622 HA GLN 79 HA GLN 79 -16.459 -1.326 -9.715 623 HB2 GLN 79 HB2 GLN 79 -17.507 -0.369 -11.685 624 HB3 GLN 79 HB1 GLN 79 -18.606 -0.280 -10.317 625 HG2 GLN 79 HG2 GLN 79 -18.878 1.787 -11.256 626 HG3 GLN 79 HG1 GLN 79 -17.643 2.118 -10.044 627 HE21 GLN 79 HE21 GLN 79 -16.899 3.914 -11.174 628 HE22 GLN 79 HE22 GLN 79 -15.973 3.769 -12.626 629 H ARG 80 HN ARG 80 -15.158 1.655 -8.854 630 HA ARG 80 HA ARG 80 -13.431 2.040 -11.108 631 HB2 ARG 80 HB2 ARG 80 -13.201 3.172 -8.317 632 HB3 ARG 80 HB1 ARG 80 -12.354 3.752 -9.744 633 HG2 ARG 80 HG2 ARG 80 -14.561 4.291 -10.757 634 HG3 ARG 80 HG1 ARG 80 -15.312 3.856 -9.220 635 HD2 ARG 80 HD2 ARG 80 -13.868 5.560 -8.118 636 HD3 ARG 80 HD1 ARG 80 -13.326 6.064 -9.718 637 HE ARG 80 HE ARG 80 -16.019 6.231 -9.900 638 HH11 ARG 80 HH11 ARG 80 -13.700 7.479 -7.617 639 HH12 ARG 80 HH12 ARG 80 -14.637 8.887 -7.241 640 HH21 ARG 80 HH21 ARG 80 -17.259 8.079 -9.408 641 HH22 ARG 80 HH22 ARG 80 -16.660 9.227 -8.258 642 H LEU 81 HN LEU 81 -12.996 0.810 -7.812 643 HA LEU 81 HA LEU 81 -10.256 0.067 -8.287 644 HB2 LEU 81 HB2 LEU 81 -12.141 -0.446 -5.991 645 HB3 LEU 81 HB1 LEU 81 -10.486 -1.017 -6.018 646 HG LEU 81 HG LEU 81 -9.765 1.392 -6.256 647 HD11 LEU 81 HD11 LEU 81 -11.837 2.352 -7.051 648 HD12 LEU 81 HD12 LEU 81 -11.378 3.098 -5.520 649 HD13 LEU 81 HD13 LEU 81 -12.656 1.884 -5.560 650 HD21 LEU 81 HD21 LEU 81 -9.614 0.189 -4.147 651 HD22 LEU 81 HD22 LEU 81 -11.284 0.611 -3.773 652 HD23 LEU 81 HD23 LEU 81 -10.058 1.874 -3.876 653 H ASP 82 HN ASP 82 -13.355 -1.613 -7.994 654 HA ASP 82 HA ASP 82 -12.329 -4.238 -8.150 655 HB2 ASP 82 HB2 ASP 82 -14.605 -3.624 -7.331 656 HB3 ASP 82 HB1 ASP 82 -15.066 -3.273 -8.993 657 H MET 83 HN MET 83 -10.801 -4.213 -9.837 658 HA MET 83 HA MET 83 -11.452 -3.513 -12.509 659 HB2 MET 83 HB2 MET 83 -9.198 -5.189 -11.403 660 HB3 MET 83 HB1 MET 83 -9.309 -4.647 -13.070 661 HG2 MET 83 HG2 MET 83 -9.155 -2.846 -10.665 662 HG3 MET 83 HG1 MET 83 -7.807 -3.261 -11.722 663 HE1 MET 83 HE1 MET 83 -7.289 -0.714 -12.068 664 HE2 MET 83 HE2 MET 83 -8.653 -0.219 -11.065 665 HE3 MET 83 HE3 MET 83 -8.447 0.469 -12.676 666 H ASP 84 HN ASP 84 -10.940 -6.711 -10.989 667 HA ASP 84 HA ASP 84 -11.711 -8.148 -13.309 668 HB2 ASP 84 HB2 ASP 84 -11.745 -10.123 -11.817 669 HB3 ASP 84 HB1 ASP 84 -10.268 -9.177 -11.661 670 H GLY 85 HN GLY 85 -13.533 -6.509 -10.969 671 HA2 GLY 85 HA2 GLY 85 -15.809 -6.211 -10.802 672 HA3 GLY 85 HA1 GLY 85 -15.987 -7.207 -12.236 673 H ASP 86 HN ASP 86 -14.660 -7.979 -9.020 674 HA ASP 86 HA ASP 86 -16.380 -10.334 -8.945 675 HB2 ASP 86 HB2 ASP 86 -15.008 -11.042 -7.043 676 HB3 ASP 86 HB1 ASP 86 -13.998 -10.625 -8.424 677 H GLY 87 HN GLY 87 -16.933 -7.289 -8.244 678 HA2 GLY 87 HA2 GLY 87 -18.688 -6.381 -7.018 679 HA3 GLY 87 HA1 GLY 87 -18.884 -7.928 -6.207 680 H GLN 88 HN GLN 88 -15.813 -7.695 -5.741 681 HA GLN 88 HA GLN 88 -15.923 -5.766 -3.522 682 HB2 GLN 88 HB2 GLN 88 -14.802 -8.570 -3.386 683 HB3 GLN 88 HB1 GLN 88 -14.694 -7.369 -2.106 684 HG2 GLN 88 HG2 GLN 88 -17.140 -7.346 -1.940 685 HG3 GLN 88 HG1 GLN 88 -17.226 -8.580 -3.195 686 HE21 GLN 88 HE21 GLN 88 -16.381 -7.894 0.103 687 HE22 GLN 88 HE22 GLN 88 -16.270 -9.534 0.632 688 H VAL 89 HN VAL 89 -13.766 -5.147 -2.709 689 HA VAL 89 HA VAL 89 -11.834 -5.045 -4.926 690 HB VAL 89 HB VAL 89 -12.040 -3.228 -2.519 691 HG11 VAL 89 HG11 VAL 89 -9.768 -3.378 -3.362 692 HG12 VAL 89 HG12 VAL 89 -10.461 -1.805 -3.754 693 HG13 VAL 89 HG13 VAL 89 -10.333 -3.047 -4.999 694 HG21 VAL 89 HG21 VAL 89 -13.951 -2.963 -4.011 695 HG22 VAL 89 HG22 VAL 89 -12.862 -2.757 -5.383 696 HG23 VAL 89 HG23 VAL 89 -12.890 -1.556 -4.092 697 H ASP 90 HN ASP 90 -9.868 -5.914 -4.730 698 HA ASP 90 HA ASP 90 -9.204 -7.298 -2.256 699 HB2 ASP 90 HB2 ASP 90 -9.020 -8.537 -4.358 700 HB3 ASP 90 HB1 ASP 90 -7.872 -7.350 -4.973 701 H PHE 91 HN PHE 91 -7.098 -7.141 -1.285 702 HA PHE 91 HA PHE 91 -6.269 -4.628 -0.607 703 HB2 PHE 91 HB2 PHE 91 -5.557 -6.511 0.688 704 HB3 PHE 91 HB1 PHE 91 -4.683 -7.195 -0.678 705 HD1 PHE 91 HD1 PHE 91 -4.752 -3.924 1.136 706 HD2 PHE 91 HD2 PHE 91 -2.410 -7.073 -0.512 707 HE1 PHE 91 HE1 PHE 91 -2.704 -2.777 1.869 708 HE2 PHE 91 HE2 PHE 91 -0.356 -5.932 0.220 709 HZ PHE 91 HZ PHE 91 -0.501 -3.782 1.411 710 H GLU 92 HN GLU 92 -4.479 -6.720 -2.878 711 HA GLU 92 HA GLU 92 -2.530 -5.026 -3.711 712 HB2 GLU 92 HB2 GLU 92 -4.103 -6.961 -5.413 713 HB3 GLU 92 HB1 GLU 92 -2.573 -6.233 -5.887 714 HG2 GLU 92 HG2 GLU 92 -1.458 -7.307 -4.019 715 HG3 GLU 92 HG1 GLU 92 -2.990 -7.996 -3.483 716 H GLU 93 HN GLU 93 -5.695 -5.303 -5.349 717 HA GLU 93 HA GLU 93 -5.362 -3.319 -7.226 718 HB2 GLU 93 HB2 GLU 93 -7.903 -3.987 -5.731 719 HB3 GLU 93 HB1 GLU 93 -7.810 -3.136 -7.268 720 HG2 GLU 93 HG2 GLU 93 -6.898 -5.097 -8.342 721 HG3 GLU 93 HG1 GLU 93 -6.861 -5.955 -6.802 722 H PHE 94 HN PHE 94 -6.085 -2.982 -3.816 723 HA PHE 94 HA PHE 94 -6.582 -0.129 -4.078 724 HB2 PHE 94 HB2 PHE 94 -7.972 -1.456 -2.546 725 HB3 PHE 94 HB1 PHE 94 -6.540 -1.888 -1.618 726 HD1 PHE 94 HD2 PHE 94 -8.180 1.212 -2.906 727 HD2 PHE 94 HD1 PHE 94 -6.213 -0.732 0.328 728 HE1 PHE 94 HE2 PHE 94 -8.479 3.223 -1.522 729 HE2 PHE 94 HE1 PHE 94 -6.508 1.276 1.719 730 HZ PHE 94 HZ PHE 94 -7.642 3.258 0.794 731 H VAL 95 HN VAL 95 -3.925 -2.205 -3.377 732 HA VAL 95 HA VAL 95 -2.475 -0.261 -1.822 733 HB VAL 95 HB VAL 95 -2.232 -2.844 -1.727 734 HG11 VAL 95 HG11 VAL 95 -0.323 -3.684 -3.070 735 HG12 VAL 95 HG12 VAL 95 -0.371 -2.192 -4.007 736 HG13 VAL 95 HG13 VAL 95 -1.744 -3.295 -4.033 737 HG21 VAL 95 HG21 VAL 95 0.167 -1.021 -1.703 738 HG22 VAL 95 HG22 VAL 95 0.091 -2.618 -0.960 739 HG23 VAL 95 HG23 VAL 95 -0.941 -1.319 -0.365 740 H THR 96 HN THR 96 -2.713 -1.146 -5.191 741 HA THR 96 HA THR 96 -0.335 0.301 -5.954 742 HB THR 96 HB THR 96 -2.547 -0.824 -7.685 743 HG1 THR 96 HG1 THR 96 -0.125 -1.900 -6.687 744 HG21 THR 96 HG21 THR 96 -0.882 -0.690 -9.492 745 HG22 THR 96 HG22 THR 96 0.240 0.105 -8.388 746 HG23 THR 96 HG23 THR 96 -1.267 0.902 -8.837 747 H LEU 97 HN LEU 97 -3.844 0.770 -6.192 748 HA LEU 97 HA LEU 97 -3.746 3.216 -7.595 749 HB2 LEU 97 HB2 LEU 97 -5.850 2.078 -5.755 750 HB3 LEU 97 HB1 LEU 97 -6.075 3.518 -6.730 751 HG LEU 97 HG LEU 97 -5.480 0.781 -7.856 752 HD11 LEU 97 HD11 LEU 97 -7.833 0.755 -8.529 753 HD12 LEU 97 HD12 LEU 97 -8.096 2.266 -7.657 754 HD13 LEU 97 HD13 LEU 97 -7.659 0.804 -6.774 755 HD21 LEU 97 HD21 LEU 97 -6.322 3.364 -9.166 756 HD22 LEU 97 HD22 LEU 97 -6.161 1.808 -9.980 757 HD23 LEU 97 HD23 LEU 97 -4.740 2.594 -9.293 758 H LEU 98 HN LEU 98 -3.317 2.404 -4.261 759 HA LEU 98 HA LEU 98 -3.476 5.210 -3.446 760 HB2 LEU 98 HB2 LEU 98 -4.626 3.481 -2.094 761 HB3 LEU 98 HB1 LEU 98 -3.077 2.725 -1.778 762 HG LEU 98 HG LEU 98 -3.307 5.581 -1.032 763 HD11 LEU 98 HD11 LEU 98 -4.477 5.086 1.037 764 HD12 LEU 98 HD12 LEU 98 -4.682 3.407 0.541 765 HD13 LEU 98 HD13 LEU 98 -5.492 4.695 -0.352 766 HD21 LEU 98 HD21 LEU 98 -2.001 4.813 0.881 767 HD22 LEU 98 HD22 LEU 98 -1.269 4.289 -0.635 768 HD23 LEU 98 HD23 LEU 98 -2.183 3.143 0.345 769 H GLY 99 HN GLY 99 -1.220 2.771 -4.257 770 HA2 GLY 99 HA2 GLY 99 0.979 4.565 -3.484 771 HA3 GLY 99 HA1 GLY 99 1.040 2.878 -3.000 772 HA PRO 100 HA PRO 100 1.445 3.453 -7.955 773 HB2 PRO 100 HB2 PRO 100 3.443 5.634 -7.554 774 HB3 PRO 100 HB1 PRO 100 2.300 5.385 -8.880 775 HG2 PRO 100 HG2 PRO 100 1.835 7.229 -7.021 776 HG3 PRO 100 HG1 PRO 100 0.513 6.244 -7.675 777 HD2 PRO 100 HD2 PRO 100 1.893 6.057 -5.039 778 HD3 PRO 100 HD1 PRO 100 0.195 5.745 -5.452 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 49.724 27.563 25.892 2 H2 MET 1 HT2 MET 1 50.131 26.558 27.191 3 H3 MET 1 HT3 MET 1 48.743 26.239 26.279 4 HA MET 1 HA MET 1 50.056 25.741 24.347 5 HB2 MET 1 HB2 MET 1 51.903 27.303 24.912 6 HB3 MET 1 HB1 MET 1 52.433 26.187 26.163 7 HG2 MET 1 HG2 MET 1 52.868 24.486 24.475 8 HG3 MET 1 HG1 MET 1 52.314 25.587 23.215 9 HE1 MET 1 HE1 MET 1 55.040 28.404 23.358 10 HE2 MET 1 HE2 MET 1 53.509 28.367 24.232 11 HE3 MET 1 HE3 MET 1 53.578 27.833 22.553 12 HA PRO 2 HA PRO 2 49.422 21.944 26.868 13 HB2 PRO 2 HB2 PRO 2 48.421 20.504 24.764 14 HB3 PRO 2 HB1 PRO 2 47.435 21.532 25.810 15 HG2 PRO 2 HG2 PRO 2 48.587 22.125 23.111 16 HG3 PRO 2 HG1 PRO 2 46.971 22.493 23.745 17 HD2 PRO 2 HD2 PRO 2 48.891 24.366 23.612 18 HD3 PRO 2 HD1 PRO 2 47.723 24.324 24.949 19 H PHE 3 HN PHE 3 50.910 20.402 27.151 20 HA PHE 3 HA PHE 3 53.028 20.123 25.176 21 HB2 PHE 3 HB2 PHE 3 52.766 18.969 27.962 22 HB3 PHE 3 HB1 PHE 3 54.191 18.838 26.936 23 HD1 PHE 3 HD1 PHE 3 55.550 20.822 26.444 24 HD2 PHE 3 HD2 PHE 3 52.268 20.974 29.147 25 HE1 PHE 3 HE1 PHE 3 56.395 22.950 27.343 26 HE2 PHE 3 HE2 PHE 3 53.106 23.103 30.052 27 HZ PHE 3 HZ PHE 3 55.172 24.094 29.149 28 H HIS 4 HN HIS 4 50.181 18.527 26.110 29 HA HIS 4 HA HIS 4 50.995 15.870 25.376 30 HB2 HIS 4 HB2 HIS 4 48.239 17.037 25.826 31 HB3 HIS 4 HB1 HIS 4 48.592 15.324 25.622 32 HD1 HIS 4 HD1 HIS 4 49.639 14.084 27.619 33 HD2 HIS 4 HD2 HIS 4 48.948 18.121 28.322 34 HE1 HIS 4 HE1 HIS 4 49.921 14.392 30.099 35 HE2 HIS 4 HE2 HIS 4 49.599 16.861 30.484 36 HA PRO 5 HA PRO 5 50.473 16.021 20.997 37 HB2 PRO 5 HB2 PRO 5 49.095 13.405 21.194 38 HB3 PRO 5 HB1 PRO 5 50.550 13.846 20.294 39 HG2 PRO 5 HG2 PRO 5 50.704 12.371 22.512 40 HG3 PRO 5 HG1 PRO 5 51.926 13.602 22.142 41 HD2 PRO 5 HD2 PRO 5 49.638 13.719 24.067 42 HD3 PRO 5 HD1 PRO 5 51.297 14.325 24.250 43 H VAL 6 HN VAL 6 49.009 17.031 19.787 44 HA VAL 6 HA VAL 6 46.317 17.365 20.672 45 HB VAL 6 HB VAL 6 47.560 18.140 18.027 46 HG11 VAL 6 HG11 VAL 6 45.714 19.761 17.896 47 HG12 VAL 6 HG12 VAL 6 45.024 19.077 19.369 48 HG13 VAL 6 HG13 VAL 6 45.135 18.095 17.908 49 HG21 VAL 6 HG21 VAL 6 47.826 20.359 19.024 50 HG22 VAL 6 HG22 VAL 6 48.733 19.140 19.919 51 HG23 VAL 6 HG23 VAL 6 47.203 19.747 20.557 52 H THR 7 HN THR 7 45.167 15.488 20.652 53 HA THR 7 HA THR 7 45.151 13.797 18.288 54 HB THR 7 HB THR 7 43.620 12.353 19.597 55 HG1 THR 7 HG1 THR 7 42.876 12.981 21.522 56 HG21 THR 7 HG21 THR 7 46.134 13.182 21.053 57 HG22 THR 7 HG22 THR 7 46.023 11.988 19.759 58 HG23 THR 7 HG23 THR 7 45.251 11.679 21.314 59 H ALA 8 HN ALA 8 43.355 13.394 17.005 60 HA ALA 8 HA ALA 8 41.654 15.577 16.484 61 HB1 ALA 8 HB1 ALA 8 40.551 14.110 14.884 62 HB2 ALA 8 HB2 ALA 8 41.348 12.709 15.598 63 HB3 ALA 8 HB3 ALA 8 42.303 13.943 14.776 64 H ALA 9 HN ALA 9 39.859 16.207 17.468 65 HA ALA 9 HA ALA 9 38.711 14.745 19.616 66 HB1 ALA 9 HB1 ALA 9 37.616 17.155 18.172 67 HB2 ALA 9 HB2 ALA 9 38.730 17.197 19.538 68 HB3 ALA 9 HB3 ALA 9 37.100 16.558 19.749 69 H LEU 10 HN LEU 10 38.408 14.326 16.344 70 HA LEU 10 HA LEU 10 36.983 13.177 14.999 71 HB2 LEU 10 HB2 LEU 10 35.993 12.102 17.642 72 HB3 LEU 10 HB1 LEU 10 35.566 11.444 16.073 73 HG LEU 10 HG LEU 10 38.376 11.548 17.175 74 HD11 LEU 10 HD11 LEU 10 36.975 10.042 18.481 75 HD12 LEU 10 HD12 LEU 10 38.135 9.141 17.503 76 HD13 LEU 10 HD13 LEU 10 36.446 9.239 17.001 77 HD21 LEU 10 HD21 LEU 10 38.292 11.577 14.742 78 HD22 LEU 10 HD22 LEU 10 37.223 10.174 14.750 79 HD23 LEU 10 HD23 LEU 10 38.883 10.021 15.328 80 H MET 11 HN MET 11 36.082 15.346 14.566 81 HA MET 11 HA MET 11 33.789 16.351 15.815 82 HB2 MET 11 HB2 MET 11 34.839 16.695 13.007 83 HB3 MET 11 HB1 MET 11 33.445 17.573 13.622 84 HG2 MET 11 HG2 MET 11 35.369 18.975 13.781 85 HG3 MET 11 HG1 MET 11 34.871 18.511 15.406 86 HE1 MET 11 HE1 MET 11 37.421 17.926 12.507 87 HE2 MET 11 HE2 MET 11 36.841 16.285 12.788 88 HE3 MET 11 HE3 MET 11 38.503 16.714 13.195 89 H TYR 12 HN TYR 12 32.145 14.955 16.158 90 HA TYR 12 HA TYR 12 31.220 13.011 14.353 91 HB2 TYR 12 HB2 TYR 12 29.771 14.395 16.620 92 HB3 TYR 12 HB1 TYR 12 29.195 12.951 15.794 93 HD1 TYR 12 HD2 TYR 12 30.331 10.801 16.110 94 HD2 TYR 12 HD1 TYR 12 31.574 14.281 18.218 95 HE1 TYR 12 HE2 TYR 12 31.610 9.394 17.666 96 HE2 TYR 12 HE1 TYR 12 32.858 12.882 19.780 97 HH TYR 12 HH TYR 12 32.867 10.555 20.590 98 H ARG 13 HN ARG 13 29.686 16.107 15.246 99 HA ARG 13 HA ARG 13 28.354 17.542 14.096 100 HB2 ARG 13 HB2 ARG 13 29.530 16.203 11.655 101 HB3 ARG 13 HB1 ARG 13 28.651 17.726 11.667 102 HG2 ARG 13 HG2 ARG 13 30.385 18.761 12.990 103 HG3 ARG 13 HG1 ARG 13 31.245 17.225 13.112 104 HD2 ARG 13 HD2 ARG 13 31.549 17.205 10.684 105 HD3 ARG 13 HD1 ARG 13 30.689 18.739 10.562 106 HE ARG 13 HE ARG 13 32.759 19.188 12.317 107 HH11 ARG 13 HH11 ARG 13 32.446 18.141 9.008 108 HH12 ARG 13 HH12 ARG 13 33.964 18.814 8.517 109 HH21 ARG 13 HH21 ARG 13 34.758 20.077 11.679 110 HH22 ARG 13 HH22 ARG 13 35.278 19.914 10.035 111 H GLY 14 HN GLY 14 26.413 17.684 12.729 112 HA2 GLY 14 HA2 GLY 14 25.095 15.065 12.379 113 HA3 GLY 14 HA1 GLY 14 24.278 16.395 13.187 114 H ILE 15 HN ILE 15 26.364 16.779 10.395 115 HA ILE 15 HA ILE 15 23.991 17.364 8.751 116 HB ILE 15 HB ILE 15 25.047 19.466 9.427 117 HG12 ILE 15 HG12 ILE 15 25.581 18.827 6.515 118 HG13 ILE 15 HG11 ILE 15 24.008 19.251 7.181 119 HG21 ILE 15 HG21 ILE 15 27.313 20.026 8.750 120 HG22 ILE 15 HG22 ILE 15 27.517 18.422 8.048 121 HG23 ILE 15 HG23 ILE 15 27.311 18.602 9.791 122 HD11 ILE 15 HD11 ILE 15 25.045 21.146 6.077 123 HD12 ILE 15 HD12 ILE 15 26.441 21.020 7.148 124 HD13 ILE 15 HD13 ILE 15 24.860 21.447 7.805 125 H TYR 16 HN TYR 16 24.123 16.858 6.564 126 HA TYR 16 HA TYR 16 25.875 14.689 5.918 127 HB2 TYR 16 HB2 TYR 16 24.702 14.722 3.725 128 HB3 TYR 16 HB1 TYR 16 23.601 14.652 5.096 129 HD1 TYR 16 HD1 TYR 16 22.254 16.623 5.708 130 HD2 TYR 16 HD2 TYR 16 24.745 16.625 2.258 131 HE1 TYR 16 HE1 TYR 16 21.059 18.595 4.852 132 HE2 TYR 16 HE2 TYR 16 23.557 18.597 1.395 133 HH TYR 16 HH TYR 16 21.398 20.428 3.313 134 H THR 17 HN THR 17 27.593 14.632 4.541 135 HA THR 17 HA THR 17 28.574 17.235 3.561 136 HB THR 17 HB THR 17 30.242 14.830 4.321 137 HG1 THR 17 HG1 THR 17 29.223 16.924 5.796 138 HG21 THR 17 HG21 THR 17 32.128 16.390 4.154 139 HG22 THR 17 HG22 THR 17 31.029 17.665 3.631 140 HG23 THR 17 HG23 THR 17 31.280 16.246 2.615 141 H VAL 18 HN VAL 18 27.846 13.943 2.775 142 HA VAL 18 HA VAL 18 29.285 13.634 0.401 143 HB VAL 18 HB VAL 18 27.546 11.967 -0.232 144 HG11 VAL 18 HG11 VAL 18 28.492 11.788 2.627 145 HG12 VAL 18 HG12 VAL 18 29.432 11.349 1.202 146 HG13 VAL 18 HG13 VAL 18 27.980 10.436 1.616 147 HG21 VAL 18 HG21 VAL 18 25.731 11.485 1.331 148 HG22 VAL 18 HG22 VAL 18 25.600 13.124 0.691 149 HG23 VAL 18 HG23 VAL 18 26.213 12.862 2.324 150 HA PRO 19 HA PRO 19 27.150 16.442 -2.304 151 HB2 PRO 19 HB2 PRO 19 28.177 15.665 -4.656 152 HB3 PRO 19 HB1 PRO 19 29.164 16.477 -3.435 153 HG2 PRO 19 HG2 PRO 19 28.980 13.564 -4.091 154 HG3 PRO 19 HG1 PRO 19 30.416 14.544 -3.743 155 HD2 PRO 19 HD2 PRO 19 29.193 12.922 -1.904 156 HD3 PRO 19 HD1 PRO 19 30.143 14.358 -1.479 157 H ASN 20 HN ASN 20 27.237 13.035 -3.385 158 HA ASN 20 HA ASN 20 24.379 13.108 -3.846 159 HB2 ASN 20 HB2 ASN 20 24.770 12.135 -6.206 160 HB3 ASN 20 HB1 ASN 20 24.932 13.875 -5.985 161 HD21 ASN 20 HD21 ASN 20 26.635 10.877 -6.484 162 HD22 ASN 20 HD22 ASN 20 28.134 11.582 -6.974 163 H LEU 21 HN LEU 21 25.252 11.654 -1.925 164 HA LEU 21 HA LEU 21 25.520 8.916 -2.984 165 HB2 LEU 21 HB2 LEU 21 26.727 10.227 -0.587 166 HB3 LEU 21 HB1 LEU 21 26.429 8.499 -0.572 167 HG LEU 21 HG LEU 21 27.740 8.610 -2.873 168 HD11 LEU 21 HD11 LEU 21 27.957 11.057 -2.829 169 HD12 LEU 21 HD12 LEU 21 29.521 10.244 -2.829 170 HD13 LEU 21 HD13 LEU 21 28.887 10.934 -1.336 171 HD21 LEU 21 HD21 LEU 21 28.334 7.287 -0.905 172 HD22 LEU 21 HD22 LEU 21 29.080 8.711 -0.177 173 HD23 LEU 21 HD23 LEU 21 29.754 8.019 -1.653 174 H LEU 22 HN LEU 22 23.466 11.040 -1.501 175 HA LEU 22 HA LEU 22 22.226 9.513 0.495 176 HB2 LEU 22 HB2 LEU 22 20.375 11.038 0.318 177 HB3 LEU 22 HB1 LEU 22 21.877 11.931 0.177 178 HG LEU 22 HG LEU 22 20.310 11.094 -2.253 179 HD11 LEU 22 HD11 LEU 22 19.299 13.324 -2.247 180 HD12 LEU 22 HD12 LEU 22 20.019 13.642 -0.668 181 HD13 LEU 22 HD13 LEU 22 18.802 12.377 -0.844 182 HD21 LEU 22 HD21 LEU 22 21.489 13.016 -3.251 183 HD22 LEU 22 HD22 LEU 22 22.594 11.777 -2.659 184 HD23 LEU 22 HD23 LEU 22 22.348 13.255 -1.729 185 H SER 23 HN SER 23 22.344 8.959 -2.815 186 HA SER 23 HA SER 23 19.748 7.899 -3.255 187 HB2 SER 23 HB2 SER 23 21.167 8.603 -5.117 188 HB3 SER 23 HB1 SER 23 22.342 7.351 -4.715 189 HG SER 23 HG SER 23 19.643 6.888 -5.466 190 H GLU 24 HN GLU 24 22.754 6.537 -2.055 191 HA GLU 24 HA GLU 24 21.339 3.989 -1.611 192 HB2 GLU 24 HB2 GLU 24 23.149 3.870 -3.345 193 HB3 GLU 24 HB1 GLU 24 24.305 4.299 -2.093 194 HG2 GLU 24 HG2 GLU 24 23.675 2.274 -0.848 195 HG3 GLU 24 HG1 GLU 24 22.574 1.837 -2.153 196 H GLN 25 HN GLN 25 22.734 6.643 -0.172 197 HA GLN 25 HA GLN 25 23.946 5.383 2.089 198 HB2 GLN 25 HB2 GLN 25 24.496 7.690 1.213 199 HB3 GLN 25 HB1 GLN 25 22.978 8.229 1.918 200 HG2 GLN 25 HG2 GLN 25 23.782 7.475 4.128 201 HG3 GLN 25 HG1 GLN 25 25.327 7.056 3.388 202 HE21 GLN 25 HE21 GLN 25 26.690 8.701 2.667 203 HE22 GLN 25 HE22 GLN 25 26.508 10.336 3.196 204 H ARG 26 HN ARG 26 21.357 7.733 2.283 205 HA ARG 26 HA ARG 26 20.270 6.620 4.637 206 HB2 ARG 26 HB2 ARG 26 18.451 8.225 4.345 207 HB3 ARG 26 HB1 ARG 26 20.006 8.989 4.049 208 HG2 ARG 26 HG2 ARG 26 19.634 8.755 1.628 209 HG3 ARG 26 HG1 ARG 26 18.045 8.060 1.961 210 HD2 ARG 26 HD2 ARG 26 17.444 10.152 3.156 211 HD3 ARG 26 HD1 ARG 26 18.993 10.835 2.667 212 HE ARG 26 HE ARG 26 17.649 9.918 0.384 213 HH11 ARG 26 HH11 ARG 26 17.405 12.420 2.798 214 HH12 ARG 26 HH12 ARG 26 16.594 13.532 1.746 215 HH21 ARG 26 HH21 ARG 26 16.584 11.375 -1.005 216 HH22 ARG 26 HH22 ARG 26 16.128 12.939 -0.414 217 HA PRO 27 HA PRO 27 17.858 3.237 3.090 218 HB2 PRO 27 HB2 PRO 27 15.930 3.960 5.230 219 HB3 PRO 27 HB1 PRO 27 16.744 2.423 4.920 220 HG2 PRO 27 HG2 PRO 27 17.495 3.976 6.949 221 HG3 PRO 27 HG1 PRO 27 18.692 3.088 5.987 222 HD2 PRO 27 HD2 PRO 27 17.958 5.986 5.896 223 HD3 PRO 27 HD1 PRO 27 19.554 5.222 5.752 224 H VAL 28 HN VAL 28 17.107 4.018 1.123 225 HA VAL 28 HA VAL 28 15.040 5.955 0.888 226 HB VAL 28 HB VAL 28 14.898 5.216 -1.481 227 HG11 VAL 28 HG11 VAL 28 17.666 5.726 -0.399 228 HG12 VAL 28 HG12 VAL 28 16.478 6.936 -0.885 229 HG13 VAL 28 HG13 VAL 28 17.203 5.876 -2.094 230 HG21 VAL 28 HG21 VAL 28 15.351 2.851 -1.177 231 HG22 VAL 28 HG22 VAL 28 16.989 3.214 -0.634 232 HG23 VAL 28 HG23 VAL 28 16.516 3.555 -2.299 233 H ASP 29 HN ASP 29 12.985 5.399 -0.376 234 HA ASP 29 HA ASP 29 10.934 4.423 -0.406 235 HB2 ASP 29 HB2 ASP 29 12.103 2.557 -1.481 236 HB3 ASP 29 HB1 ASP 29 12.518 1.892 0.095 237 H ILE 30 HN ILE 30 9.684 5.051 1.226 238 HA ILE 30 HA ILE 30 10.221 4.924 3.923 239 HB ILE 30 HB ILE 30 7.440 4.732 2.765 240 HG12 ILE 30 HG12 ILE 30 8.652 6.530 1.632 241 HG13 ILE 30 HG11 ILE 30 7.455 7.202 2.732 242 HG21 ILE 30 HG21 ILE 30 7.450 4.446 5.136 243 HG22 ILE 30 HG22 ILE 30 6.869 6.074 4.789 244 HG23 ILE 30 HG23 ILE 30 8.521 5.829 5.354 245 HD11 ILE 30 HD11 ILE 30 10.411 6.985 3.250 246 HD12 ILE 30 HD12 ILE 30 9.217 7.648 4.366 247 HD13 ILE 30 HD13 ILE 30 9.529 8.452 2.828 248 HA PRO 31 HA PRO 31 10.052 0.588 4.936 249 HB2 PRO 31 HB2 PRO 31 9.288 0.968 7.592 250 HB3 PRO 31 HB1 PRO 31 10.950 0.924 6.996 251 HG2 PRO 31 HG2 PRO 31 9.213 3.274 7.600 252 HG3 PRO 31 HG1 PRO 31 10.951 3.060 7.877 253 HD2 PRO 31 HD2 PRO 31 10.052 4.541 5.844 254 HD3 PRO 31 HD1 PRO 31 11.483 3.505 5.657 255 H GLU 32 HN GLU 32 8.526 -0.995 5.274 256 HA GLU 32 HA GLU 32 5.945 -0.632 4.419 257 HB2 GLU 32 HB2 GLU 32 7.163 -2.805 4.631 258 HB3 GLU 32 HB1 GLU 32 6.839 -2.768 6.357 259 HG2 GLU 32 HG2 GLU 32 4.467 -2.885 5.962 260 HG3 GLU 32 HG1 GLU 32 4.725 -2.784 4.221 261 H ASP 33 HN ASP 33 7.165 0.470 7.312 262 HA ASP 33 HA ASP 33 5.167 0.066 9.192 263 HB2 ASP 33 HB2 ASP 33 7.283 1.146 9.755 264 HB3 ASP 33 HB1 ASP 33 6.862 2.538 8.763 265 H GLU 34 HN GLU 34 5.291 2.296 6.484 266 HA GLU 34 HA GLU 34 2.848 3.647 7.255 267 HB2 GLU 34 HB2 GLU 34 3.149 4.965 5.253 268 HB3 GLU 34 HB1 GLU 34 4.693 4.840 6.086 269 HG2 GLU 34 HG2 GLU 34 5.536 3.308 4.511 270 HG3 GLU 34 HG1 GLU 34 3.939 3.021 3.821 271 H LEU 35 HN LEU 35 3.801 0.955 5.337 272 HA LEU 35 HA LEU 35 1.472 0.884 3.662 273 HB2 LEU 35 HB2 LEU 35 3.674 -0.122 3.049 274 HB3 LEU 35 HB1 LEU 35 3.412 -1.342 4.279 275 HG LEU 35 HG LEU 35 1.137 -1.625 2.843 276 HD11 LEU 35 HD11 LEU 35 3.265 -0.929 0.826 277 HD12 LEU 35 HD12 LEU 35 1.870 0.077 1.213 278 HD13 LEU 35 HD13 LEU 35 1.635 -1.512 0.487 279 HD21 LEU 35 HD21 LEU 35 3.798 -2.927 2.275 280 HD22 LEU 35 HD22 LEU 35 2.221 -3.562 1.806 281 HD23 LEU 35 HD23 LEU 35 2.640 -3.417 3.513 282 H GLU 36 HN GLU 36 2.367 -0.372 6.776 283 HA GLU 36 HA GLU 36 0.452 -2.411 7.032 284 HB2 GLU 36 HB2 GLU 36 2.368 -2.173 8.543 285 HB3 GLU 36 HB1 GLU 36 1.695 -0.676 9.173 286 HG2 GLU 36 HG2 GLU 36 -0.194 -1.876 10.093 287 HG3 GLU 36 HG1 GLU 36 0.398 -3.384 9.394 288 H GLU 37 HN GLU 37 0.269 1.056 7.610 289 HA GLU 37 HA GLU 37 -2.263 0.997 8.913 290 HB2 GLU 37 HB2 GLU 37 -0.675 2.855 9.185 291 HB3 GLU 37 HB1 GLU 37 -0.878 3.277 7.490 292 HG2 GLU 37 HG2 GLU 37 -2.167 4.748 8.931 293 HG3 GLU 37 HG1 GLU 37 -3.220 3.798 7.883 294 H ILE 38 HN ILE 38 -1.282 0.868 5.614 295 HA ILE 38 HA ILE 38 -3.525 1.993 4.352 296 HB ILE 38 HB ILE 38 -1.712 -0.229 3.407 297 HG12 ILE 38 HG12 ILE 38 -1.691 2.719 2.734 298 HG13 ILE 38 HG11 ILE 38 -0.617 1.958 3.907 299 HG21 ILE 38 HG21 ILE 38 -3.678 1.446 1.853 300 HG22 ILE 38 HG22 ILE 38 -3.793 -0.285 2.173 301 HG23 ILE 38 HG23 ILE 38 -2.501 0.340 1.149 302 HD11 ILE 38 HD11 ILE 38 -0.736 1.443 0.949 303 HD12 ILE 38 HD12 ILE 38 0.229 0.503 2.086 304 HD13 ILE 38 HD13 ILE 38 0.563 2.220 1.855 305 H ARG 39 HN ARG 39 -2.776 -1.465 4.576 306 HA ARG 39 HA ARG 39 -5.375 -2.322 3.931 307 HB2 ARG 39 HB2 ARG 39 -4.588 -4.522 4.428 308 HB3 ARG 39 HB1 ARG 39 -3.296 -3.632 3.661 309 HG2 ARG 39 HG2 ARG 39 -3.379 -3.692 6.612 310 HG3 ARG 39 HG1 ARG 39 -2.874 -5.138 5.748 311 HD2 ARG 39 HD2 ARG 39 -1.678 -2.420 5.274 312 HD3 ARG 39 HD1 ARG 39 -1.025 -3.573 6.436 313 HE ARG 39 HE ARG 39 -1.117 -3.955 3.521 314 HH11 ARG 39 HH11 ARG 39 0.156 -4.761 6.664 315 HH12 ARG 39 HH12 ARG 39 1.405 -5.782 6.037 316 HH21 ARG 39 HH21 ARG 39 0.527 -5.299 2.690 317 HH22 ARG 39 HH22 ARG 39 1.616 -6.088 3.781 318 H GLU 40 HN GLU 40 -3.740 -2.048 7.081 319 HA GLU 40 HA GLU 40 -5.664 -3.179 8.698 320 HB2 GLU 40 HB2 GLU 40 -3.415 -2.363 9.417 321 HB3 GLU 40 HB1 GLU 40 -4.038 -0.720 9.370 322 HG2 GLU 40 HG2 GLU 40 -5.444 -2.755 11.027 323 HG3 GLU 40 HG1 GLU 40 -3.934 -2.059 11.611 324 H ALA 41 HN ALA 41 -5.864 -0.273 6.888 325 HA ALA 41 HA ALA 41 -7.906 0.955 8.514 326 HB1 ALA 41 HB1 ALA 41 -8.027 2.628 6.738 327 HB2 ALA 41 HB2 ALA 41 -6.964 1.640 5.735 328 HB3 ALA 41 HB3 ALA 41 -6.362 2.334 7.240 329 H PHE 42 HN PHE 42 -7.973 -0.157 5.110 330 HA PHE 42 HA PHE 42 -10.821 -0.180 5.083 331 HB2 PHE 42 HB2 PHE 42 -8.663 -0.887 3.148 332 HB3 PHE 42 HB1 PHE 42 -10.300 -1.447 2.832 333 HD1 PHE 42 HD2 PHE 42 -8.849 1.737 4.141 334 HD2 PHE 42 HD1 PHE 42 -11.341 -0.154 1.256 335 HE1 PHE 42 HE2 PHE 42 -9.429 3.937 3.207 336 HE2 PHE 42 HE1 PHE 42 -11.925 2.045 0.316 337 HZ PHE 42 HZ PHE 42 -10.973 4.093 1.293 338 H LYS 43 HN LYS 43 -8.472 -2.499 6.040 339 HA LYS 43 HA LYS 43 -10.095 -4.796 5.475 340 HB2 LYS 43 HB2 LYS 43 -7.429 -4.329 6.575 341 HB3 LYS 43 HB1 LYS 43 -8.288 -5.632 7.382 342 HG2 LYS 43 HG2 LYS 43 -7.432 -6.881 5.737 343 HG3 LYS 43 HG1 LYS 43 -8.781 -6.243 4.798 344 HD2 LYS 43 HD2 LYS 43 -6.053 -4.984 4.920 345 HD3 LYS 43 HD1 LYS 43 -6.561 -6.111 3.664 346 HE2 LYS 43 HE2 LYS 43 -7.880 -3.470 4.286 347 HE3 LYS 43 HE1 LYS 43 -6.751 -3.759 2.964 348 HZ1 LYS 43 HZ1 LYS 43 -9.028 -3.850 2.190 349 HZ2 LYS 43 HZ2 LYS 43 -9.400 -5.062 3.310 350 HZ3 LYS 43 HZ3 LYS 43 -8.314 -5.379 2.053 351 H VAL 44 HN VAL 44 -9.564 -2.732 8.303 352 HA VAL 44 HA VAL 44 -10.930 -4.444 10.111 353 HB VAL 44 HB VAL 44 -11.177 -2.431 11.563 354 HG11 VAL 44 HG11 VAL 44 -8.735 -2.132 11.931 355 HG12 VAL 44 HG12 VAL 44 -8.446 -3.041 10.448 356 HG13 VAL 44 HG13 VAL 44 -9.242 -3.817 11.816 357 HG21 VAL 44 HG21 VAL 44 -11.351 -0.782 9.720 358 HG22 VAL 44 HG22 VAL 44 -9.632 -1.013 9.401 359 HG23 VAL 44 HG23 VAL 44 -10.159 -0.346 10.946 360 H PHE 45 HN PHE 45 -11.991 -1.994 7.835 361 HA PHE 45 HA PHE 45 -14.613 -1.684 8.867 362 HB2 PHE 45 HB2 PHE 45 -13.531 -1.294 6.068 363 HB3 PHE 45 HB1 PHE 45 -15.179 -0.895 6.539 364 HD1 PHE 45 HD2 PHE 45 -15.166 0.528 8.893 365 HD2 PHE 45 HD1 PHE 45 -12.141 0.506 5.902 366 HE1 PHE 45 HE2 PHE 45 -14.417 2.749 9.640 367 HE2 PHE 45 HE1 PHE 45 -11.385 2.727 6.644 368 HZ PHE 45 HZ PHE 45 -12.524 3.851 8.516 369 H ASP 46 HN ASP 46 -13.079 -4.216 7.170 370 HA ASP 46 HA ASP 46 -15.375 -5.382 5.959 371 HB2 ASP 46 HB2 ASP 46 -13.072 -5.883 5.218 372 HB3 ASP 46 HB1 ASP 46 -12.755 -6.670 6.759 373 H ARG 47 HN ARG 47 -17.012 -5.556 7.452 374 HA ARG 47 HA ARG 47 -16.810 -6.458 10.074 375 HB2 ARG 47 HB2 ARG 47 -19.174 -6.815 8.229 376 HB3 ARG 47 HB1 ARG 47 -19.210 -6.807 9.987 377 HG2 ARG 47 HG2 ARG 47 -18.353 -4.450 9.898 378 HG3 ARG 47 HG1 ARG 47 -18.609 -4.503 8.153 379 HD2 ARG 47 HD2 ARG 47 -20.499 -3.468 9.320 380 HD3 ARG 47 HD1 ARG 47 -20.971 -4.950 8.486 381 HE ARG 47 HE ARG 47 -20.298 -5.569 11.139 382 HH11 ARG 47 HH11 ARG 47 -22.756 -3.898 9.323 383 HH12 ARG 47 HH12 ARG 47 -24.002 -4.194 10.487 384 HH21 ARG 47 HH21 ARG 47 -21.932 -5.968 12.677 385 HH22 ARG 47 HH22 ARG 47 -23.534 -5.373 12.395 386 H ASP 48 HN ASP 48 -17.254 -8.291 7.084 387 HA ASP 48 HA ASP 48 -17.604 -10.789 8.451 388 HB2 ASP 48 HB2 ASP 48 -16.894 -10.351 5.545 389 HB3 ASP 48 HB1 ASP 48 -17.610 -11.794 6.258 390 H GLY 49 HN GLY 49 -14.927 -8.894 7.478 391 HA2 GLY 49 HA2 GLY 49 -12.660 -9.227 7.573 392 HA3 GLY 49 HA1 GLY 49 -13.021 -10.441 8.790 393 H ASN 50 HN ASN 50 -14.330 -10.818 5.605 394 HA ASN 50 HA ASN 50 -12.943 -13.304 5.278 395 HB2 ASN 50 HB2 ASN 50 -14.150 -13.177 2.970 396 HB3 ASN 50 HB1 ASN 50 -15.105 -13.401 4.431 397 HD21 ASN 50 HD21 ASN 50 -13.622 -10.365 3.531 398 HD22 ASN 50 HD22 ASN 50 -15.094 -9.528 3.195 399 H GLY 51 HN GLY 51 -12.005 -10.189 4.770 400 HA2 GLY 51 HA2 GLY 51 -9.844 -9.647 3.946 401 HA3 GLY 51 HA1 GLY 51 -9.917 -11.059 2.903 402 H PHE 52 HN PHE 52 -12.843 -9.859 2.463 403 HA PHE 52 HA PHE 52 -11.994 -7.977 0.359 404 HB2 PHE 52 HB2 PHE 52 -14.451 -9.685 0.102 405 HB3 PHE 52 HB1 PHE 52 -13.517 -8.891 -1.163 406 HD1 PHE 52 HD2 PHE 52 -11.275 -9.813 -1.783 407 HD2 PHE 52 HD1 PHE 52 -13.969 -11.879 0.783 408 HE1 PHE 52 HE2 PHE 52 -10.046 -11.907 -2.184 409 HE2 PHE 52 HE1 PHE 52 -12.744 -13.975 0.387 410 HZ PHE 52 HZ PHE 52 -10.781 -13.991 -1.099 411 H ILE 53 HN ILE 53 -13.378 -6.230 -0.094 412 HA ILE 53 HA ILE 53 -15.318 -5.662 2.051 413 HB ILE 53 HB ILE 53 -13.763 -3.681 0.385 414 HG12 ILE 53 HG12 ILE 53 -13.421 -4.004 3.340 415 HG13 ILE 53 HG11 ILE 53 -12.619 -5.147 2.268 416 HG21 ILE 53 HG21 ILE 53 -15.926 -2.811 1.046 417 HG22 ILE 53 HG22 ILE 53 -14.647 -2.014 1.960 418 HG23 ILE 53 HG23 ILE 53 -15.623 -3.269 2.721 419 HD11 ILE 53 HD11 ILE 53 -11.547 -3.243 1.117 420 HD12 ILE 53 HD12 ILE 53 -11.108 -3.375 2.820 421 HD13 ILE 53 HD13 ILE 53 -12.278 -2.161 2.301 422 H SER 54 HN SER 54 -17.378 -5.366 1.519 423 HA SER 54 HA SER 54 -18.108 -5.352 -1.307 424 HB2 SER 54 HB2 SER 54 -19.195 -6.984 0.217 425 HB3 SER 54 HB1 SER 54 -19.871 -5.642 1.140 426 HG SER 54 HG SER 54 -20.346 -5.574 -1.580 427 H LYS 55 HN LYS 55 -20.379 -4.048 -1.549 428 HA LYS 55 HA LYS 55 -19.662 -1.334 -1.505 429 HB2 LYS 55 HB2 LYS 55 -22.314 -2.707 -1.920 430 HB3 LYS 55 HB1 LYS 55 -22.112 -0.968 -2.055 431 HG2 LYS 55 HG2 LYS 55 -21.984 -1.729 -4.247 432 HG3 LYS 55 HG1 LYS 55 -20.302 -1.489 -3.780 433 HD2 LYS 55 HD2 LYS 55 -20.451 -3.572 -4.942 434 HD3 LYS 55 HD1 LYS 55 -20.185 -3.927 -3.234 435 HE2 LYS 55 HE2 LYS 55 -22.556 -4.381 -2.941 436 HE3 LYS 55 HE1 LYS 55 -22.864 -3.956 -4.624 437 HZ1 LYS 55 HZ1 LYS 55 -22.750 -6.349 -4.316 438 HZ2 LYS 55 HZ2 LYS 55 -21.182 -6.222 -3.695 439 HZ3 LYS 55 HZ3 LYS 55 -21.487 -5.818 -5.309 440 H GLN 56 HN GLN 56 -21.933 -3.168 0.520 441 HA GLN 56 HA GLN 56 -22.818 -1.002 2.072 442 HB2 GLN 56 HB2 GLN 56 -22.749 -3.968 2.566 443 HB3 GLN 56 HB1 GLN 56 -23.387 -2.847 3.761 444 HG2 GLN 56 HG2 GLN 56 -25.205 -3.724 2.491 445 HG3 GLN 56 HG1 GLN 56 -24.993 -2.027 2.067 446 HE21 GLN 56 HE21 GLN 56 -25.967 -2.190 0.082 447 HE22 GLN 56 HE22 GLN 56 -25.267 -3.048 -1.245 448 H GLU 57 HN GLU 57 -19.966 -3.017 2.327 449 HA GLU 57 HA GLU 57 -19.323 -2.140 4.990 450 HB2 GLU 57 HB2 GLU 57 -17.617 -3.569 2.941 451 HB3 GLU 57 HB1 GLU 57 -17.198 -3.335 4.633 452 HG2 GLU 57 HG2 GLU 57 -19.153 -4.665 5.286 453 HG3 GLU 57 HG1 GLU 57 -19.532 -4.924 3.585 454 H LEU 58 HN LEU 58 -18.018 -1.499 1.740 455 HA LEU 58 HA LEU 58 -16.083 0.373 2.515 456 HB2 LEU 58 HB2 LEU 58 -16.313 -0.751 0.262 457 HB3 LEU 58 HB1 LEU 58 -17.602 0.383 -0.094 458 HG LEU 58 HG LEU 58 -15.761 2.171 0.515 459 HD11 LEU 58 HD11 LEU 58 -14.060 0.613 1.215 460 HD12 LEU 58 HD12 LEU 58 -13.541 1.431 -0.259 461 HD13 LEU 58 HD13 LEU 58 -14.145 -0.224 -0.335 462 HD21 LEU 58 HD21 LEU 58 -16.905 1.967 -1.636 463 HD22 LEU 58 HD22 LEU 58 -15.799 0.675 -2.103 464 HD23 LEU 58 HD23 LEU 58 -15.188 2.309 -1.848 465 H GLY 59 HN GLY 59 -19.505 0.601 2.280 466 HA2 GLY 59 HA2 GLY 59 -19.752 3.398 1.859 467 HA3 GLY 59 HA1 GLY 59 -20.984 2.343 2.539 468 H THR 60 HN THR 60 -18.892 1.516 4.598 469 HA THR 60 HA THR 60 -19.578 3.576 6.523 470 HB THR 60 HB THR 60 -18.001 1.035 6.976 471 HG1 THR 60 HG1 THR 60 -19.968 0.305 6.381 472 HG21 THR 60 HG21 THR 60 -18.645 1.331 9.312 473 HG22 THR 60 HG22 THR 60 -19.509 2.812 8.898 474 HG23 THR 60 HG23 THR 60 -17.754 2.738 8.732 475 H ALA 61 HN ALA 61 -16.826 2.403 4.747 476 HA ALA 61 HA ALA 61 -14.799 3.666 6.277 477 HB1 ALA 61 HB1 ALA 61 -14.344 1.826 4.721 478 HB2 ALA 61 HB2 ALA 61 -13.352 3.241 4.366 479 HB3 ALA 61 HB3 ALA 61 -14.759 2.875 3.366 480 H MET 62 HN MET 62 -16.424 4.604 3.252 481 HA MET 62 HA MET 62 -15.101 7.013 2.829 482 HB2 MET 62 HB2 MET 62 -17.873 6.108 2.072 483 HB3 MET 62 HB1 MET 62 -17.199 7.645 1.545 484 HG2 MET 62 HG2 MET 62 -16.009 4.939 0.979 485 HG3 MET 62 HG1 MET 62 -16.982 5.886 -0.147 486 HE1 MET 62 HE1 MET 62 -14.057 4.772 -0.882 487 HE2 MET 62 HE2 MET 62 -13.426 6.187 -1.725 488 HE3 MET 62 HE3 MET 62 -15.101 5.692 -1.965 489 H ARG 63 HN ARG 63 -18.173 6.449 4.566 490 HA ARG 63 HA ARG 63 -18.682 9.135 5.182 491 HB2 ARG 63 HB2 ARG 63 -20.274 8.352 6.775 492 HB3 ARG 63 HB1 ARG 63 -20.300 7.227 5.424 493 HG2 ARG 63 HG2 ARG 63 -19.093 5.593 6.651 494 HG3 ARG 63 HG1 ARG 63 -18.734 6.741 7.943 495 HD2 ARG 63 HD2 ARG 63 -21.172 6.906 8.394 496 HD3 ARG 63 HD1 ARG 63 -21.438 5.638 7.197 497 HE ARG 63 HE ARG 63 -19.690 4.472 8.858 498 HH11 ARG 63 HH11 ARG 63 -22.636 6.234 9.459 499 HH12 ARG 63 HH12 ARG 63 -23.018 5.357 10.903 500 HH21 ARG 63 HH21 ARG 63 -20.185 3.313 10.759 501 HH22 ARG 63 HH22 ARG 63 -21.625 3.696 11.641 502 H SER 64 HN SER 64 -16.434 6.892 6.510 503 HA SER 64 HA SER 64 -16.031 8.311 8.983 504 HB2 SER 64 HB2 SER 64 -15.648 5.873 8.813 505 HB3 SER 64 HB1 SER 64 -14.328 6.171 7.682 506 HG SER 64 HG SER 64 -13.138 7.058 9.287 507 H LEU 65 HN LEU 65 -15.555 9.440 6.122 508 HA LEU 65 HA LEU 65 -12.899 10.588 6.693 509 HB2 LEU 65 HB2 LEU 65 -14.107 10.352 3.944 510 HB3 LEU 65 HB1 LEU 65 -12.448 10.731 4.366 511 HG LEU 65 HG LEU 65 -13.789 8.051 4.727 512 HD11 LEU 65 HD11 LEU 65 -11.678 8.966 2.781 513 HD12 LEU 65 HD12 LEU 65 -13.353 8.572 2.394 514 HD13 LEU 65 HD13 LEU 65 -12.261 7.312 2.968 515 HD21 LEU 65 HD21 LEU 65 -12.142 8.431 6.465 516 HD22 LEU 65 HD22 LEU 65 -10.952 8.924 5.260 517 HD23 LEU 65 HD23 LEU 65 -11.529 7.259 5.298 518 H GLY 66 HN GLY 66 -16.219 11.121 6.044 519 HA2 GLY 66 HA2 GLY 66 -17.071 13.303 6.835 520 HA3 GLY 66 HA1 GLY 66 -15.739 14.036 5.951 521 H TYR 67 HN TYR 67 -17.136 11.355 4.412 522 HA TYR 67 HA TYR 67 -18.876 13.068 2.769 523 HB2 TYR 67 HB2 TYR 67 -17.101 10.893 1.645 524 HB3 TYR 67 HB1 TYR 67 -18.066 12.059 0.746 525 HD1 TYR 67 HD1 TYR 67 -14.987 11.541 2.663 526 HD2 TYR 67 HD2 TYR 67 -17.313 14.349 0.469 527 HE1 TYR 67 HE1 TYR 67 -13.053 13.058 2.564 528 HE2 TYR 67 HE2 TYR 67 -15.386 15.872 0.363 529 HH TYR 67 HH TYR 67 -12.227 14.903 1.215 530 H MET 68 HN MET 68 -20.888 12.322 2.961 531 HA MET 68 HA MET 68 -21.379 9.575 3.725 532 HB2 MET 68 HB2 MET 68 -23.777 10.309 3.755 533 HB3 MET 68 HB1 MET 68 -22.716 11.212 4.827 534 HG2 MET 68 HG2 MET 68 -22.577 12.982 3.081 535 HG3 MET 68 HG1 MET 68 -23.794 12.098 2.163 536 HE1 MET 68 HE1 MET 68 -24.518 14.009 6.299 537 HE2 MET 68 HE2 MET 68 -23.034 14.219 5.371 538 HE3 MET 68 HE3 MET 68 -23.438 12.638 6.042 539 HA PRO 69 HA PRO 69 -22.068 8.627 -0.638 540 HB2 PRO 69 HB2 PRO 69 -21.370 6.063 -0.556 541 HB3 PRO 69 HB1 PRO 69 -20.151 7.333 -0.397 542 HG2 PRO 69 HG2 PRO 69 -21.368 5.597 1.699 543 HG3 PRO 69 HG1 PRO 69 -19.708 6.200 1.564 544 HD2 PRO 69 HD2 PRO 69 -21.753 7.294 3.154 545 HD3 PRO 69 HD1 PRO 69 -20.209 8.066 2.753 546 H ASN 70 HN ASN 70 -23.952 8.080 -1.578 547 HA ASN 70 HA ASN 70 -26.033 6.851 0.013 548 HB2 ASN 70 HB2 ASN 70 -26.177 7.655 -2.897 549 HB3 ASN 70 HB1 ASN 70 -27.521 7.404 -1.788 550 HD21 ASN 70 HD21 ASN 70 -25.044 9.549 -2.849 551 HD22 ASN 70 HD22 ASN 70 -25.562 10.931 -1.954 552 H GLU 71 HN GLU 71 -27.477 5.221 -1.283 553 HA GLU 71 HA GLU 71 -25.941 2.865 -1.639 554 HB2 GLU 71 HB2 GLU 71 -28.096 1.841 -2.322 555 HB3 GLU 71 HB1 GLU 71 -28.211 2.732 -0.810 556 HG2 GLU 71 HG2 GLU 71 -29.231 4.607 -1.972 557 HG3 GLU 71 HG1 GLU 71 -29.079 3.752 -3.506 558 H VAL 72 HN VAL 72 -26.758 5.423 -3.716 559 HA VAL 72 HA VAL 72 -26.512 3.857 -6.160 560 HB VAL 72 HB VAL 72 -26.533 6.798 -6.369 561 HG11 VAL 72 HG11 VAL 72 -26.746 5.347 -8.310 562 HG12 VAL 72 HG12 VAL 72 -28.202 6.318 -8.091 563 HG13 VAL 72 HG13 VAL 72 -28.197 4.618 -7.623 564 HG21 VAL 72 HG21 VAL 72 -28.952 6.957 -5.860 565 HG22 VAL 72 HG22 VAL 72 -27.964 6.611 -4.441 566 HG23 VAL 72 HG23 VAL 72 -28.891 5.321 -5.206 567 H GLU 73 HN GLU 73 -24.597 5.869 -4.106 568 HA GLU 73 HA GLU 73 -22.587 6.467 -6.077 569 HB2 GLU 73 HB2 GLU 73 -22.524 6.773 -3.071 570 HB3 GLU 73 HB1 GLU 73 -21.354 7.451 -4.195 571 HG2 GLU 73 HG2 GLU 73 -24.280 8.145 -4.074 572 HG3 GLU 73 HG1 GLU 73 -22.957 9.120 -3.434 573 H LEU 74 HN LEU 74 -22.728 4.380 -3.190 574 HA LEU 74 HA LEU 74 -20.162 3.335 -3.342 575 HB2 LEU 74 HB2 LEU 74 -21.199 1.317 -2.162 576 HB3 LEU 74 HB1 LEU 74 -21.296 2.878 -1.373 577 HG LEU 74 HG LEU 74 -23.645 3.061 -2.360 578 HD11 LEU 74 HD11 LEU 74 -23.158 0.122 -2.793 579 HD12 LEU 74 HD12 LEU 74 -23.510 1.328 -4.026 580 HD13 LEU 74 HD13 LEU 74 -24.738 0.901 -2.834 581 HD21 LEU 74 HD21 LEU 74 -23.216 2.649 -0.002 582 HD22 LEU 74 HD22 LEU 74 -23.050 0.923 -0.318 583 HD23 LEU 74 HD23 LEU 74 -24.608 1.716 -0.554 584 H GLU 75 HN GLU 75 -22.715 2.872 -5.519 585 HA GLU 75 HA GLU 75 -21.896 0.251 -6.414 586 HB2 GLU 75 HB2 GLU 75 -23.873 2.238 -7.539 587 HB3 GLU 75 HB1 GLU 75 -23.576 0.648 -8.229 588 HG2 GLU 75 HG2 GLU 75 -24.283 -0.375 -6.103 589 HG3 GLU 75 HG1 GLU 75 -24.651 1.234 -5.480 590 H VAL 76 HN VAL 76 -21.442 3.595 -7.434 591 HA VAL 76 HA VAL 76 -20.057 2.758 -9.850 592 HB VAL 76 HB VAL 76 -19.843 5.136 -10.364 593 HG11 VAL 76 HG11 VAL 76 -22.626 4.405 -9.462 594 HG12 VAL 76 HG12 VAL 76 -21.886 3.944 -10.997 595 HG13 VAL 76 HG13 VAL 76 -22.206 5.643 -10.646 596 HG21 VAL 76 HG21 VAL 76 -19.543 5.995 -8.101 597 HG22 VAL 76 HG22 VAL 76 -21.215 5.588 -7.715 598 HG23 VAL 76 HG23 VAL 76 -20.865 6.828 -8.919 599 H ILE 77 HN ILE 77 -19.315 4.158 -6.716 600 HA ILE 77 HA ILE 77 -16.600 4.777 -7.289 601 HB ILE 77 HB ILE 77 -18.091 4.421 -4.694 602 HG12 ILE 77 HG12 ILE 77 -16.889 7.007 -5.346 603 HG13 ILE 77 HG11 ILE 77 -18.072 6.475 -6.538 604 HG21 ILE 77 HG21 ILE 77 -16.115 5.439 -3.594 605 HG22 ILE 77 HG22 ILE 77 -15.219 5.242 -5.100 606 HG23 ILE 77 HG23 ILE 77 -15.808 3.824 -4.232 607 HD11 ILE 77 HD11 ILE 77 -18.599 6.623 -3.582 608 HD12 ILE 77 HD12 ILE 77 -19.767 6.305 -4.865 609 HD13 ILE 77 HD13 ILE 77 -19.007 7.891 -4.737 610 H ILE 78 HN ILE 78 -18.262 1.899 -6.236 611 HA ILE 78 HA ILE 78 -16.003 0.521 -5.225 612 HB ILE 78 HB ILE 78 -18.790 -0.145 -5.826 613 HG12 ILE 78 HG12 ILE 78 -17.868 0.235 -3.567 614 HG13 ILE 78 HG11 ILE 78 -18.597 -1.359 -3.725 615 HG21 ILE 78 HG21 ILE 78 -16.684 -2.287 -6.100 616 HG22 ILE 78 HG22 ILE 78 -17.846 -1.770 -7.324 617 HG23 ILE 78 HG23 ILE 78 -18.406 -2.596 -5.869 618 HD11 ILE 78 HD11 ILE 78 -16.524 -1.446 -2.462 619 HD12 ILE 78 HD12 ILE 78 -15.651 -0.752 -3.830 620 HD13 ILE 78 HD13 ILE 78 -16.384 -2.350 -3.969 621 H GLN 79 HN GLN 79 -17.430 0.755 -8.455 622 HA GLN 79 HA GLN 79 -16.019 -1.331 -9.664 623 HB2 GLN 79 HB2 GLN 79 -16.945 1.268 -10.891 624 HB3 GLN 79 HB1 GLN 79 -16.500 -0.182 -11.779 625 HG2 GLN 79 HG2 GLN 79 -18.352 -1.385 -10.716 626 HG3 GLN 79 HG1 GLN 79 -18.805 0.091 -9.864 627 HE21 GLN 79 HE21 GLN 79 -20.833 0.152 -10.811 628 HE22 GLN 79 HE22 GLN 79 -21.068 0.575 -12.469 629 H ARG 80 HN ARG 80 -15.137 2.053 -9.135 630 HA ARG 80 HA ARG 80 -12.882 2.265 -10.694 631 HB2 ARG 80 HB2 ARG 80 -13.335 3.401 -7.930 632 HB3 ARG 80 HB1 ARG 80 -12.076 3.930 -9.037 633 HG2 ARG 80 HG2 ARG 80 -15.029 4.081 -9.603 634 HG3 ARG 80 HG1 ARG 80 -14.042 5.416 -9.006 635 HD2 ARG 80 HD2 ARG 80 -12.618 5.196 -11.027 636 HD3 ARG 80 HD1 ARG 80 -13.727 3.965 -11.630 637 HE ARG 80 HE ARG 80 -15.355 6.067 -11.158 638 HH11 ARG 80 HH11 ARG 80 -12.369 5.720 -12.920 639 HH12 ARG 80 HH12 ARG 80 -12.744 6.972 -14.055 640 HH21 ARG 80 HH21 ARG 80 -15.857 7.715 -12.652 641 HH22 ARG 80 HH22 ARG 80 -14.727 8.104 -13.905 642 H LEU 81 HN LEU 81 -12.927 1.282 -7.263 643 HA LEU 81 HA LEU 81 -10.188 0.476 -7.291 644 HB2 LEU 81 HB2 LEU 81 -12.400 -0.076 -5.311 645 HB3 LEU 81 HB1 LEU 81 -10.717 -0.491 -5.054 646 HG LEU 81 HG LEU 81 -10.236 2.015 -5.348 647 HD11 LEU 81 HD11 LEU 81 -13.212 2.105 -4.885 648 HD12 LEU 81 HD12 LEU 81 -12.342 2.699 -6.300 649 HD13 LEU 81 HD13 LEU 81 -12.124 3.484 -4.735 650 HD21 LEU 81 HD21 LEU 81 -10.082 0.846 -3.214 651 HD22 LEU 81 HD22 LEU 81 -11.815 1.056 -2.964 652 HD23 LEU 81 HD23 LEU 81 -10.753 2.464 -3.002 653 H ASP 82 HN ASP 82 -13.267 -1.273 -7.240 654 HA ASP 82 HA ASP 82 -12.047 -3.849 -7.453 655 HB2 ASP 82 HB2 ASP 82 -14.193 -3.624 -6.349 656 HB3 ASP 82 HB1 ASP 82 -14.911 -2.946 -7.806 657 H MET 83 HN MET 83 -10.697 -3.370 -9.321 658 HA MET 83 HA MET 83 -11.758 -2.792 -11.872 659 HB2 MET 83 HB2 MET 83 -9.187 -4.215 -11.159 660 HB3 MET 83 HB1 MET 83 -9.571 -3.523 -12.729 661 HG2 MET 83 HG2 MET 83 -9.698 -1.298 -11.695 662 HG3 MET 83 HG1 MET 83 -9.252 -2.010 -10.147 663 HE1 MET 83 HE1 MET 83 -5.608 -3.229 -10.789 664 HE2 MET 83 HE2 MET 83 -7.099 -4.163 -10.918 665 HE3 MET 83 HE3 MET 83 -6.887 -3.016 -9.595 666 H ASP 84 HN ASP 84 -11.248 -5.789 -10.130 667 HA ASP 84 HA ASP 84 -11.612 -7.543 -12.322 668 HB2 ASP 84 HB2 ASP 84 -12.130 -8.078 -9.390 669 HB3 ASP 84 HB1 ASP 84 -11.905 -9.293 -10.646 670 H GLY 85 HN GLY 85 -13.808 -5.689 -10.444 671 HA2 GLY 85 HA2 GLY 85 -16.084 -5.415 -10.606 672 HA3 GLY 85 HA1 GLY 85 -16.013 -6.345 -12.093 673 H ASP 86 HN ASP 86 -14.893 -7.651 -9.050 674 HA ASP 86 HA ASP 86 -16.863 -9.772 -9.259 675 HB2 ASP 86 HB2 ASP 86 -15.598 -10.831 -7.433 676 HB3 ASP 86 HB1 ASP 86 -14.545 -10.368 -8.767 677 H GLY 87 HN GLY 87 -16.870 -6.770 -7.909 678 HA2 GLY 87 HA2 GLY 87 -18.715 -5.932 -6.687 679 HA3 GLY 87 HA1 GLY 87 -18.999 -7.545 -6.055 680 H GLN 88 HN GLN 88 -15.871 -7.445 -5.646 681 HA GLN 88 HA GLN 88 -15.909 -5.821 -3.197 682 HB2 GLN 88 HB2 GLN 88 -14.859 -8.648 -3.411 683 HB3 GLN 88 HB1 GLN 88 -14.706 -7.610 -1.999 684 HG2 GLN 88 HG2 GLN 88 -17.067 -7.611 -1.654 685 HG3 GLN 88 HG1 GLN 88 -17.341 -8.446 -3.182 686 HE21 GLN 88 HE21 GLN 88 -18.070 -9.172 -0.425 687 HE22 GLN 88 HE22 GLN 88 -17.389 -10.737 -0.161 688 H VAL 89 HN VAL 89 -13.878 -5.068 -2.478 689 HA VAL 89 HA VAL 89 -11.890 -4.913 -4.626 690 HB VAL 89 HB VAL 89 -12.125 -3.190 -2.156 691 HG11 VAL 89 HG11 VAL 89 -9.868 -3.248 -3.034 692 HG12 VAL 89 HG12 VAL 89 -10.606 -1.683 -3.378 693 HG13 VAL 89 HG13 VAL 89 -10.462 -2.891 -4.655 694 HG21 VAL 89 HG21 VAL 89 -14.068 -2.893 -3.576 695 HG22 VAL 89 HG22 VAL 89 -13.032 -2.663 -4.985 696 HG23 VAL 89 HG23 VAL 89 -13.022 -1.478 -3.679 697 H ASP 90 HN ASP 90 -9.958 -5.828 -4.456 698 HA ASP 90 HA ASP 90 -9.293 -7.255 -2.013 699 HB2 ASP 90 HB2 ASP 90 -8.013 -7.253 -4.752 700 HB3 ASP 90 HB1 ASP 90 -7.454 -8.232 -3.398 701 H PHE 91 HN PHE 91 -7.274 -7.092 -0.964 702 HA PHE 91 HA PHE 91 -6.420 -4.619 -0.232 703 HB2 PHE 91 HB2 PHE 91 -5.726 -6.431 1.096 704 HB3 PHE 91 HB1 PHE 91 -4.989 -7.263 -0.269 705 HD1 PHE 91 HD1 PHE 91 -4.645 -3.882 1.285 706 HD2 PHE 91 HD2 PHE 91 -2.712 -7.413 -0.095 707 HE1 PHE 91 HE1 PHE 91 -2.469 -2.928 1.900 708 HE2 PHE 91 HE2 PHE 91 -0.526 -6.458 0.518 709 HZ PHE 91 HZ PHE 91 -0.408 -4.206 1.520 710 H GLU 92 HN GLU 92 -4.669 -6.668 -2.576 711 HA GLU 92 HA GLU 92 -2.642 -4.951 -3.239 712 HB2 GLU 92 HB2 GLU 92 -4.102 -6.920 -4.992 713 HB3 GLU 92 HB1 GLU 92 -2.609 -6.117 -5.462 714 HG2 GLU 92 HG2 GLU 92 -1.539 -7.080 -3.427 715 HG3 GLU 92 HG1 GLU 92 -3.015 -8.008 -3.159 716 H GLU 93 HN GLU 93 -5.799 -5.132 -4.902 717 HA GLU 93 HA GLU 93 -5.359 -3.168 -6.800 718 HB2 GLU 93 HB2 GLU 93 -7.930 -3.830 -5.359 719 HB3 GLU 93 HB1 GLU 93 -7.820 -2.883 -6.837 720 HG2 GLU 93 HG2 GLU 93 -6.996 -4.767 -8.059 721 HG3 GLU 93 HG1 GLU 93 -6.868 -5.725 -6.584 722 H PHE 94 HN PHE 94 -5.959 -2.805 -3.394 723 HA PHE 94 HA PHE 94 -6.657 -0.010 -3.600 724 HB2 PHE 94 HB2 PHE 94 -7.659 -1.410 -1.853 725 HB3 PHE 94 HB1 PHE 94 -6.066 -1.696 -1.161 726 HD1 PHE 94 HD1 PHE 94 -8.146 1.225 -2.211 727 HD2 PHE 94 HD2 PHE 94 -5.546 -0.471 0.700 728 HE1 PHE 94 HE1 PHE 94 -8.396 3.239 -0.820 729 HE2 PHE 94 HE2 PHE 94 -5.791 1.540 2.096 730 HZ PHE 94 HZ PHE 94 -7.218 3.398 1.336 731 H VAL 95 HN VAL 95 -3.868 -1.849 -2.330 732 HA VAL 95 HA VAL 95 -2.390 0.355 -1.471 733 HB VAL 95 HB VAL 95 -0.368 -1.255 -2.114 734 HG11 VAL 95 HG11 VAL 95 -2.311 -1.665 0.151 735 HG12 VAL 95 HG12 VAL 95 -0.919 -0.583 0.131 736 HG13 VAL 95 HG13 VAL 95 -0.680 -2.330 0.092 737 HG21 VAL 95 HG21 VAL 95 -2.756 -3.086 -2.001 738 HG22 VAL 95 HG22 VAL 95 -1.072 -3.602 -1.919 739 HG23 VAL 95 HG23 VAL 95 -1.690 -2.835 -3.381 740 H THR 96 HN THR 96 -2.842 -0.892 -4.719 741 HA THR 96 HA THR 96 -0.588 0.434 -5.844 742 HB THR 96 HB THR 96 -3.088 -0.558 -7.224 743 HG1 THR 96 HG1 THR 96 -0.610 -1.819 -6.612 744 HG21 THR 96 HG21 THR 96 -0.340 0.079 -8.306 745 HG22 THR 96 HG22 THR 96 -1.815 0.997 -8.606 746 HG23 THR 96 HG23 THR 96 -1.659 -0.647 -9.225 747 H LEU 97 HN LEU 97 -4.096 1.135 -5.958 748 HA LEU 97 HA LEU 97 -3.817 3.562 -7.366 749 HB2 LEU 97 HB2 LEU 97 -6.129 4.031 -6.606 750 HB3 LEU 97 HB1 LEU 97 -5.934 2.455 -7.347 751 HG LEU 97 HG LEU 97 -5.675 1.649 -4.856 752 HD11 LEU 97 HD11 LEU 97 -7.156 2.954 -3.358 753 HD12 LEU 97 HD12 LEU 97 -7.200 4.231 -4.572 754 HD13 LEU 97 HD13 LEU 97 -5.675 3.805 -3.797 755 HD21 LEU 97 HD21 LEU 97 -7.417 0.910 -6.368 756 HD22 LEU 97 HD22 LEU 97 -8.309 2.409 -6.108 757 HD23 LEU 97 HD23 LEU 97 -8.102 1.266 -4.781 758 H LEU 98 HN LEU 98 -3.221 2.770 -4.099 759 HA LEU 98 HA LEU 98 -3.331 5.591 -3.293 760 HB2 LEU 98 HB2 LEU 98 -4.539 4.006 -1.868 761 HB3 LEU 98 HB1 LEU 98 -3.066 3.088 -1.624 762 HG LEU 98 HG LEU 98 -2.956 5.943 -0.850 763 HD11 LEU 98 HD11 LEU 98 -4.061 5.504 1.297 764 HD12 LEU 98 HD12 LEU 98 -4.541 3.909 0.715 765 HD13 LEU 98 HD13 LEU 98 -5.177 5.361 -0.061 766 HD21 LEU 98 HD21 LEU 98 -1.678 5.003 1.014 767 HD22 LEU 98 HD22 LEU 98 -1.055 4.447 -0.538 768 HD23 LEU 98 HD23 LEU 98 -2.048 3.375 0.447 769 H GLY 99 HN GLY 99 -1.171 3.045 -4.080 770 HA2 GLY 99 HA2 GLY 99 1.094 4.758 -3.281 771 HA3 GLY 99 HA1 GLY 99 1.109 3.037 -2.930 772 HA PRO 100 HA PRO 100 1.499 3.630 -7.760 773 HB2 PRO 100 HB2 PRO 100 2.642 5.995 -8.485 774 HB3 PRO 100 HB1 PRO 100 0.894 5.741 -8.421 775 HG2 PRO 100 HG2 PRO 100 2.696 7.033 -6.409 776 HG3 PRO 100 HG1 PRO 100 1.096 7.550 -6.972 777 HD2 PRO 100 HD2 PRO 100 1.446 6.268 -4.626 778 HD3 PRO 100 HD1 PRO 100 -0.008 6.039 -5.619 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 15.152 -6.859 27.447 2 H2 MET 1 HT2 MET 1 13.807 -7.378 26.570 3 H3 MET 1 HT3 MET 1 15.294 -8.159 26.374 4 HA MET 1 HA MET 1 15.209 -8.793 28.749 5 HB2 MET 1 HB2 MET 1 12.355 -7.838 28.466 6 HB3 MET 1 HB1 MET 1 12.986 -8.749 29.829 7 HG2 MET 1 HG2 MET 1 14.536 -6.922 30.326 8 HG3 MET 1 HG1 MET 1 13.879 -6.007 28.970 9 HE1 MET 1 HE1 MET 1 13.382 -3.942 30.498 10 HE2 MET 1 HE2 MET 1 14.033 -4.777 31.909 11 HE3 MET 1 HE3 MET 1 12.447 -4.009 31.992 12 HA PRO 2 HA PRO 2 12.168 -12.018 26.915 13 HB2 PRO 2 HB2 PRO 2 10.880 -11.516 24.604 14 HB3 PRO 2 HB1 PRO 2 10.239 -10.994 26.166 15 HG2 PRO 2 HG2 PRO 2 11.738 -9.415 24.113 16 HG3 PRO 2 HG1 PRO 2 10.306 -8.955 25.052 17 HD2 PRO 2 HD2 PRO 2 12.834 -8.166 25.692 18 HD3 PRO 2 HD1 PRO 2 11.547 -8.379 26.894 19 H PHE 3 HN PHE 3 12.904 -13.736 25.759 20 HA PHE 3 HA PHE 3 15.277 -13.414 24.217 21 HB2 PHE 3 HB2 PHE 3 15.291 -15.816 24.037 22 HB3 PHE 3 HB1 PHE 3 14.805 -15.388 25.673 23 HD1 PHE 3 HD2 PHE 3 12.290 -15.376 26.182 24 HD2 PHE 3 HD1 PHE 3 13.992 -17.242 22.758 25 HE1 PHE 3 HE2 PHE 3 10.274 -16.765 25.942 26 HE2 PHE 3 HE1 PHE 3 11.979 -18.636 22.511 27 HZ PHE 3 HZ PHE 3 10.117 -18.399 24.105 28 H HIS 4 HN HIS 4 12.012 -13.194 23.443 29 HA HIS 4 HA HIS 4 12.526 -13.819 20.615 30 HB2 HIS 4 HB2 HIS 4 10.695 -15.108 21.637 31 HB3 HIS 4 HB1 HIS 4 9.881 -13.608 22.070 32 HD1 HIS 4 HD1 HIS 4 8.066 -13.040 20.506 33 HD2 HIS 4 HD2 HIS 4 11.126 -15.118 18.612 34 HE1 HIS 4 HE1 HIS 4 7.324 -13.301 18.118 35 HE2 HIS 4 HE2 HIS 4 9.169 -14.603 17.001 36 HA PRO 5 HA PRO 5 12.378 -9.330 20.193 37 HB2 PRO 5 HB2 PRO 5 12.976 -9.246 17.554 38 HB3 PRO 5 HB1 PRO 5 14.199 -9.525 18.798 39 HG2 PRO 5 HG2 PRO 5 12.794 -11.506 17.047 40 HG3 PRO 5 HG1 PRO 5 14.511 -11.417 17.481 41 HD2 PRO 5 HD2 PRO 5 12.787 -13.123 18.687 42 HD3 PRO 5 HD1 PRO 5 14.174 -12.407 19.534 43 H VAL 6 HN VAL 6 10.660 -8.074 19.828 44 HA VAL 6 HA VAL 6 8.560 -9.076 18.021 45 HB VAL 6 HB VAL 6 6.997 -7.632 19.353 46 HG11 VAL 6 HG11 VAL 6 8.430 -9.830 20.841 47 HG12 VAL 6 HG12 VAL 6 7.102 -10.036 19.698 48 HG13 VAL 6 HG13 VAL 6 6.827 -9.205 21.229 49 HG21 VAL 6 HG21 VAL 6 7.711 -6.935 21.595 50 HG22 VAL 6 HG22 VAL 6 8.637 -6.123 20.332 51 HG23 VAL 6 HG23 VAL 6 9.354 -7.462 21.229 52 H THR 7 HN THR 7 10.222 -6.159 19.150 53 HA THR 7 HA THR 7 10.309 -4.979 16.596 54 HB THR 7 HB THR 7 7.955 -4.565 16.800 55 HG1 THR 7 HG1 THR 7 9.583 -2.749 16.281 56 HG21 THR 7 HG21 THR 7 7.694 -4.830 19.201 57 HG22 THR 7 HG22 THR 7 7.015 -3.284 18.689 58 HG23 THR 7 HG23 THR 7 8.588 -3.335 19.486 59 H ALA 8 HN ALA 8 11.568 -3.121 16.555 60 HA ALA 8 HA ALA 8 12.606 -2.208 19.157 61 HB1 ALA 8 HB1 ALA 8 14.214 -2.598 16.634 62 HB2 ALA 8 HB2 ALA 8 14.232 -3.668 18.036 63 HB3 ALA 8 HB3 ALA 8 14.823 -2.013 18.182 64 H ALA 9 HN ALA 9 12.597 -0.070 19.475 65 HA ALA 9 HA ALA 9 11.569 1.639 17.371 66 HB1 ALA 9 HB1 ALA 9 10.652 1.831 19.622 67 HB2 ALA 9 HB2 ALA 9 11.411 3.341 19.120 68 HB3 ALA 9 HB3 ALA 9 12.243 2.265 20.243 69 H LEU 10 HN LEU 10 14.588 0.837 18.764 70 HA LEU 10 HA LEU 10 16.714 1.405 18.190 71 HB2 LEU 10 HB2 LEU 10 15.822 1.748 15.892 72 HB3 LEU 10 HB1 LEU 10 15.503 3.422 16.303 73 HG LEU 10 HG LEU 10 17.932 3.759 16.692 74 HD11 LEU 10 HD11 LEU 10 18.556 1.479 17.240 75 HD12 LEU 10 HD12 LEU 10 19.499 2.063 15.869 76 HD13 LEU 10 HD13 LEU 10 18.152 0.956 15.605 77 HD21 LEU 10 HD21 LEU 10 16.935 4.345 14.553 78 HD22 LEU 10 HD22 LEU 10 17.178 2.698 13.972 79 HD23 LEU 10 HD23 LEU 10 18.570 3.721 14.327 80 H MET 11 HN MET 11 14.575 4.238 18.446 81 HA MET 11 HA MET 11 14.712 6.147 19.662 82 HB2 MET 11 HB2 MET 11 16.506 4.395 21.340 83 HB3 MET 11 HB1 MET 11 16.022 6.016 21.814 84 HG2 MET 11 HG2 MET 11 14.184 3.685 21.323 85 HG3 MET 11 HG1 MET 11 14.642 4.342 22.892 86 HE1 MET 11 HE1 MET 11 13.019 7.929 22.714 87 HE2 MET 11 HE2 MET 11 14.651 7.474 22.225 88 HE3 MET 11 HE3 MET 11 13.959 6.814 23.707 89 H TYR 12 HN TYR 12 16.463 7.698 20.747 90 HA TYR 12 HA TYR 12 18.209 8.439 18.613 91 HB2 TYR 12 HB2 TYR 12 17.005 9.998 20.249 92 HB3 TYR 12 HB1 TYR 12 18.261 9.577 21.408 93 HD1 TYR 12 HD2 TYR 12 17.523 11.333 18.273 94 HD2 TYR 12 HD1 TYR 12 20.519 10.411 21.150 95 HE1 TYR 12 HE2 TYR 12 18.962 13.088 17.327 96 HE2 TYR 12 HE1 TYR 12 21.966 12.167 20.212 97 HH TYR 12 HH TYR 12 22.253 13.385 18.100 98 H ARG 13 HN ARG 13 18.509 6.540 21.461 99 HA ARG 13 HA ARG 13 20.207 5.353 22.383 100 HB2 ARG 13 HB2 ARG 13 20.492 4.578 20.044 101 HB3 ARG 13 HB1 ARG 13 21.628 5.892 19.769 102 HG2 ARG 13 HG2 ARG 13 22.877 3.904 20.155 103 HG3 ARG 13 HG1 ARG 13 23.061 4.940 21.572 104 HD2 ARG 13 HD2 ARG 13 22.698 2.604 22.205 105 HD3 ARG 13 HD1 ARG 13 21.386 3.640 22.762 106 HE ARG 13 HE ARG 13 20.397 2.750 20.453 107 HH11 ARG 13 HH11 ARG 13 22.002 1.054 23.039 108 HH12 ARG 13 HH12 ARG 13 21.139 -0.425 22.778 109 HH21 ARG 13 HH21 ARG 13 19.255 0.809 20.103 110 HH22 ARG 13 HH22 ARG 13 19.574 -0.563 21.110 111 H GLY 14 HN GLY 14 22.365 7.370 20.449 112 HA2 GLY 14 HA2 GLY 14 22.917 9.444 22.150 113 HA3 GLY 14 HA1 GLY 14 23.872 8.106 22.775 114 H ILE 15 HN ILE 15 24.677 6.846 20.484 115 HA ILE 15 HA ILE 15 26.473 8.856 19.327 116 HB ILE 15 HB ILE 15 27.563 6.946 20.406 117 HG12 ILE 15 HG12 ILE 15 28.992 6.237 18.495 118 HG13 ILE 15 HG11 ILE 15 27.830 6.963 17.391 119 HG21 ILE 15 HG21 ILE 15 27.366 4.693 19.460 120 HG22 ILE 15 HG22 ILE 15 26.125 5.274 18.350 121 HG23 ILE 15 HG23 ILE 15 25.826 5.279 20.088 122 HD11 ILE 15 HD11 ILE 15 29.765 8.399 17.771 123 HD12 ILE 15 HD12 ILE 15 29.394 8.440 19.495 124 HD13 ILE 15 HD13 ILE 15 28.273 9.152 18.334 125 H TYR 16 HN TYR 16 26.712 9.105 17.115 126 HA TYR 16 HA TYR 16 24.417 8.384 15.538 127 HB2 TYR 16 HB2 TYR 16 26.945 9.752 14.603 128 HB3 TYR 16 HB1 TYR 16 25.368 9.774 13.820 129 HD1 TYR 16 HD1 TYR 16 23.458 10.960 14.989 130 HD2 TYR 16 HD2 TYR 16 27.507 11.348 16.238 131 HE1 TYR 16 HE1 TYR 16 22.878 13.014 16.213 132 HE2 TYR 16 HE2 TYR 16 26.938 13.401 17.465 133 HH TYR 16 HH TYR 16 23.733 14.347 18.079 134 H THR 17 HN THR 17 27.700 8.270 14.272 135 HA THR 17 HA THR 17 28.676 6.771 12.846 136 HB THR 17 HB THR 17 28.987 4.513 13.808 137 HG1 THR 17 HG1 THR 17 27.566 5.236 16.106 138 HG21 THR 17 HG21 THR 17 29.245 6.766 15.803 139 HG22 THR 17 HG22 THR 17 30.415 6.350 14.552 140 HG23 THR 17 HG23 THR 17 30.101 5.227 15.876 141 H VAL 18 HN VAL 18 26.879 7.173 11.293 142 HA VAL 18 HA VAL 18 24.938 5.026 11.033 143 HB VAL 18 HB VAL 18 24.084 6.322 9.102 144 HG11 VAL 18 HG11 VAL 18 24.453 7.906 11.642 145 HG12 VAL 18 HG12 VAL 18 23.185 6.723 11.324 146 HG13 VAL 18 HG13 VAL 18 23.240 8.224 10.402 147 HG21 VAL 18 HG21 VAL 18 26.257 8.280 9.849 148 HG22 VAL 18 HG22 VAL 18 24.966 8.573 8.683 149 HG23 VAL 18 HG23 VAL 18 26.176 7.330 8.365 150 HA PRO 19 HA PRO 19 27.365 2.764 8.092 151 HB2 PRO 19 HB2 PRO 19 25.450 1.237 6.967 152 HB3 PRO 19 HB1 PRO 19 26.000 0.985 8.627 153 HG2 PRO 19 HG2 PRO 19 23.549 2.381 7.633 154 HG3 PRO 19 HG1 PRO 19 23.731 1.278 9.010 155 HD2 PRO 19 HD2 PRO 19 23.640 4.004 9.244 156 HD3 PRO 19 HD1 PRO 19 24.469 2.942 10.398 157 H ASN 20 HN ASN 20 24.216 3.632 6.637 158 HA ASN 20 HA ASN 20 25.556 5.102 4.524 159 HB2 ASN 20 HB2 ASN 20 23.903 2.631 3.974 160 HB3 ASN 20 HB1 ASN 20 24.343 3.811 2.744 161 HD21 ASN 20 HD21 ASN 20 25.478 1.291 4.838 162 HD22 ASN 20 HD22 ASN 20 27.021 1.084 4.090 163 H LEU 21 HN LEU 21 23.984 6.143 6.481 164 HA LEU 21 HA LEU 21 21.235 6.324 5.731 165 HB2 LEU 21 HB2 LEU 21 22.707 6.948 7.972 166 HB3 LEU 21 HB1 LEU 21 22.301 8.528 7.331 167 HG LEU 21 HG LEU 21 20.669 7.843 8.989 168 HD11 LEU 21 HD11 LEU 21 19.511 7.741 6.207 169 HD12 LEU 21 HD12 LEU 21 19.900 9.205 7.110 170 HD13 LEU 21 HD13 LEU 21 18.633 8.124 7.688 171 HD21 LEU 21 HD21 LEU 21 19.247 5.902 8.668 172 HD22 LEU 21 HD22 LEU 21 20.942 5.418 8.741 173 HD23 LEU 21 HD23 LEU 21 20.112 5.490 7.186 174 H LEU 22 HN LEU 22 24.100 7.848 4.673 175 HA LEU 22 HA LEU 22 22.824 10.255 3.718 176 HB2 LEU 22 HB2 LEU 22 24.970 10.884 2.870 177 HB3 LEU 22 HB1 LEU 22 25.181 10.226 4.481 178 HG LEU 22 HG LEU 22 25.625 8.532 2.035 179 HD11 LEU 22 HD11 LEU 22 28.002 9.080 2.187 180 HD12 LEU 22 HD12 LEU 22 27.650 10.274 3.436 181 HD13 LEU 22 HD13 LEU 22 27.037 10.504 1.798 182 HD21 LEU 22 HD21 LEU 22 25.436 7.317 4.105 183 HD22 LEU 22 HD22 LEU 22 26.586 8.398 4.889 184 HD23 LEU 22 HD23 LEU 22 27.125 7.325 3.599 185 H SER 23 HN SER 23 22.767 7.139 2.672 186 HA SER 23 HA SER 23 22.653 7.912 -0.166 187 HB2 SER 23 HB2 SER 23 23.068 5.185 1.076 188 HB3 SER 23 HB1 SER 23 22.930 5.492 -0.654 189 HG SER 23 HG SER 23 25.071 5.779 0.974 190 H GLU 24 HN GLU 24 20.789 6.832 2.500 191 HA GLU 24 HA GLU 24 18.508 6.340 0.701 192 HB2 GLU 24 HB2 GLU 24 17.590 4.853 2.456 193 HB3 GLU 24 HB1 GLU 24 19.113 4.276 1.796 194 HG2 GLU 24 HG2 GLU 24 20.294 5.129 3.747 195 HG3 GLU 24 HG1 GLU 24 18.776 5.737 4.407 196 H GLN 25 HN GLN 25 19.304 8.901 1.735 197 HA GLN 25 HA GLN 25 17.374 9.485 3.837 198 HB2 GLN 25 HB2 GLN 25 18.335 11.750 3.802 199 HB3 GLN 25 HB1 GLN 25 19.570 10.517 4.018 200 HG2 GLN 25 HG2 GLN 25 20.297 10.740 1.766 201 HG3 GLN 25 HG1 GLN 25 18.924 11.771 1.364 202 HE21 GLN 25 HE21 GLN 25 22.006 11.585 2.958 203 HE22 GLN 25 HE22 GLN 25 22.235 13.285 3.156 204 H ARG 26 HN ARG 26 17.107 9.016 0.666 205 HA ARG 26 HA ARG 26 15.630 11.346 -0.133 206 HB2 ARG 26 HB2 ARG 26 15.913 8.618 -1.404 207 HB3 ARG 26 HB1 ARG 26 15.077 9.975 -2.145 208 HG2 ARG 26 HG2 ARG 26 17.162 11.257 -2.140 209 HG3 ARG 26 HG1 ARG 26 17.996 9.883 -1.413 210 HD2 ARG 26 HD2 ARG 26 18.341 10.003 -3.846 211 HD3 ARG 26 HD1 ARG 26 17.520 8.522 -3.358 212 HE ARG 26 HE ARG 26 15.523 10.308 -3.993 213 HH11 ARG 26 HH11 ARG 26 18.239 8.876 -5.641 214 HH12 ARG 26 HH12 ARG 26 17.477 8.910 -7.196 215 HH21 ARG 26 HH21 ARG 26 14.514 10.357 -6.037 216 HH22 ARG 26 HH22 ARG 26 15.362 9.753 -7.422 217 HA PRO 27 HA PRO 27 11.631 10.218 1.360 218 HB2 PRO 27 HB2 PRO 27 10.381 11.383 -1.012 219 HB3 PRO 27 HB1 PRO 27 10.354 11.955 0.657 220 HG2 PRO 27 HG2 PRO 27 11.703 13.250 -1.291 221 HG3 PRO 27 HG1 PRO 27 12.256 13.223 0.395 222 HD2 PRO 27 HD2 PRO 27 13.208 11.598 -1.939 223 HD3 PRO 27 HD1 PRO 27 14.151 12.388 -0.657 224 H VAL 28 HN VAL 28 13.011 8.664 -1.121 225 HA VAL 28 HA VAL 28 10.622 7.299 -2.095 226 HB VAL 28 HB VAL 28 12.173 6.092 -3.600 227 HG11 VAL 28 HG11 VAL 28 12.776 8.027 -4.996 228 HG12 VAL 28 HG12 VAL 28 12.433 9.097 -3.638 229 HG13 VAL 28 HG13 VAL 28 11.135 8.149 -4.362 230 HG21 VAL 28 HG21 VAL 28 14.282 7.854 -2.355 231 HG22 VAL 28 HG22 VAL 28 14.510 6.800 -3.750 232 HG23 VAL 28 HG23 VAL 28 14.151 6.105 -2.169 233 H ASP 29 HN ASP 29 10.705 4.885 -2.238 234 HA ASP 29 HA ASP 29 10.782 2.836 -1.259 235 HB2 ASP 29 HB2 ASP 29 13.325 3.933 -0.043 236 HB3 ASP 29 HB1 ASP 29 12.805 2.257 0.093 237 H ILE 30 HN ILE 30 8.892 3.162 -0.102 238 HA ILE 30 HA ILE 30 9.015 4.292 2.564 239 HB ILE 30 HB ILE 30 6.702 3.113 1.026 240 HG12 ILE 30 HG12 ILE 30 7.350 5.998 1.650 241 HG13 ILE 30 HG11 ILE 30 7.719 5.214 0.118 242 HG21 ILE 30 HG21 ILE 30 5.276 4.156 2.729 243 HG22 ILE 30 HG22 ILE 30 6.716 4.624 3.634 244 HG23 ILE 30 HG23 ILE 30 6.327 2.918 3.418 245 HD11 ILE 30 HD11 ILE 30 5.354 4.835 -0.268 246 HD12 ILE 30 HD12 ILE 30 5.691 6.546 -0.008 247 HD13 ILE 30 HD13 ILE 30 4.973 5.582 1.284 248 HA PRO 31 HA PRO 31 9.517 0.305 4.474 249 HB2 PRO 31 HB2 PRO 31 9.146 1.011 7.036 250 HB3 PRO 31 HB1 PRO 31 10.582 1.515 6.136 251 HG2 PRO 31 HG2 PRO 31 8.099 3.062 6.764 252 HG3 PRO 31 HG1 PRO 31 9.791 3.590 6.819 253 HD2 PRO 31 HD2 PRO 31 8.086 4.128 4.739 254 HD3 PRO 31 HD1 PRO 31 9.849 4.032 4.573 255 H GLU 32 HN GLU 32 8.282 -1.359 5.256 256 HA GLU 32 HA GLU 32 5.591 -1.481 4.729 257 HB2 GLU 32 HB2 GLU 32 7.167 -3.402 5.159 258 HB3 GLU 32 HB1 GLU 32 6.956 -3.100 6.878 259 HG2 GLU 32 HG2 GLU 32 4.596 -3.574 6.711 260 HG3 GLU 32 HG1 GLU 32 4.731 -3.765 4.964 261 H ASP 33 HN ASP 33 7.088 0.076 7.360 262 HA ASP 33 HA ASP 33 5.183 -0.170 9.384 263 HB2 ASP 33 HB2 ASP 33 6.905 2.231 8.726 264 HB3 ASP 33 HB1 ASP 33 6.092 1.941 10.261 265 H GLU 34 HN GLU 34 5.425 2.263 6.788 266 HA GLU 34 HA GLU 34 2.992 3.549 7.523 267 HB2 GLU 34 HB2 GLU 34 4.321 5.055 6.438 268 HB3 GLU 34 HB1 GLU 34 5.064 3.828 5.423 269 HG2 GLU 34 HG2 GLU 34 3.464 3.983 3.819 270 HG3 GLU 34 HG1 GLU 34 2.229 4.518 4.951 271 H LEU 35 HN LEU 35 3.883 0.848 5.609 272 HA LEU 35 HA LEU 35 1.647 0.776 3.860 273 HB2 LEU 35 HB2 LEU 35 3.830 -0.474 3.588 274 HB3 LEU 35 HB1 LEU 35 3.262 -1.581 4.823 275 HG LEU 35 HG LEU 35 1.187 -1.815 3.215 276 HD11 LEU 35 HD11 LEU 35 1.963 -0.068 1.666 277 HD12 LEU 35 HD12 LEU 35 1.777 -1.634 0.878 278 HD13 LEU 35 HD13 LEU 35 3.385 -1.045 1.302 279 HD21 LEU 35 HD21 LEU 35 2.677 -3.626 3.879 280 HD22 LEU 35 HD22 LEU 35 3.853 -3.112 2.668 281 HD23 LEU 35 HD23 LEU 35 2.279 -3.726 2.164 282 H GLU 36 HN GLU 36 2.208 -0.260 7.134 283 HA GLU 36 HA GLU 36 0.085 -2.081 7.418 284 HB2 GLU 36 HB2 GLU 36 1.890 -1.916 9.053 285 HB3 GLU 36 HB1 GLU 36 1.379 -0.290 9.482 286 HG2 GLU 36 HG2 GLU 36 0.648 -1.869 11.152 287 HG3 GLU 36 HG1 GLU 36 -0.743 -1.181 10.315 288 H GLU 37 HN GLU 37 0.236 1.425 7.710 289 HA GLU 37 HA GLU 37 -2.278 1.858 8.868 290 HB2 GLU 37 HB2 GLU 37 -0.539 3.595 8.668 291 HB3 GLU 37 HB1 GLU 37 -0.781 3.629 6.927 292 HG2 GLU 37 HG2 GLU 37 -3.072 4.394 7.254 293 HG3 GLU 37 HG1 GLU 37 -2.840 4.350 9.001 294 H ILE 38 HN ILE 38 -1.324 1.135 5.600 295 HA ILE 38 HA ILE 38 -3.666 1.955 4.262 296 HB ILE 38 HB ILE 38 -1.759 -0.270 3.518 297 HG12 ILE 38 HG12 ILE 38 -1.778 2.593 2.547 298 HG13 ILE 38 HG11 ILE 38 -0.762 2.030 3.871 299 HG21 ILE 38 HG21 ILE 38 -3.747 1.265 1.846 300 HG22 ILE 38 HG22 ILE 38 -3.855 -0.434 2.303 301 HG23 ILE 38 HG23 ILE 38 -2.568 0.110 1.227 302 HD11 ILE 38 HD11 ILE 38 0.437 2.143 1.740 303 HD12 ILE 38 HD12 ILE 38 -0.686 0.965 1.060 304 HD13 ILE 38 HD13 ILE 38 0.376 0.505 2.389 305 H ARG 39 HN ARG 39 -2.654 -1.292 5.333 306 HA ARG 39 HA ARG 39 -5.035 -2.606 4.664 307 HB2 ARG 39 HB2 ARG 39 -2.995 -3.267 6.794 308 HB3 ARG 39 HB1 ARG 39 -4.278 -4.352 6.274 309 HG2 ARG 39 HG2 ARG 39 -2.844 -5.142 4.778 310 HG3 ARG 39 HG1 ARG 39 -3.032 -3.613 3.918 311 HD2 ARG 39 HD2 ARG 39 -0.690 -4.035 4.240 312 HD3 ARG 39 HD1 ARG 39 -1.170 -2.685 5.268 313 HE ARG 39 HE ARG 39 -1.394 -4.948 6.826 314 HH11 ARG 39 HH11 ARG 39 1.141 -3.305 5.087 315 HH12 ARG 39 HH12 ARG 39 2.393 -3.829 6.163 316 HH21 ARG 39 HH21 ARG 39 0.248 -5.642 8.245 317 HH22 ARG 39 HH22 ARG 39 1.885 -5.157 7.958 318 H GLU 40 HN GLU 40 -3.970 -1.858 7.990 319 HA GLU 40 HA GLU 40 -6.215 -2.401 9.381 320 HB2 GLU 40 HB2 GLU 40 -5.534 -0.798 11.046 321 HB3 GLU 40 HB1 GLU 40 -4.104 -1.557 10.361 322 HG2 GLU 40 HG2 GLU 40 -3.664 0.386 9.009 323 HG3 GLU 40 HG1 GLU 40 -5.160 1.141 9.553 324 H ALA 41 HN ALA 41 -5.881 0.227 7.134 325 HA ALA 41 HA ALA 41 -8.023 1.821 8.093 326 HB1 ALA 41 HB1 ALA 41 -6.244 2.667 6.613 327 HB2 ALA 41 HB2 ALA 41 -7.862 3.002 5.995 328 HB3 ALA 41 HB3 ALA 41 -6.904 1.695 5.297 329 H PHE 42 HN PHE 42 -8.055 0.317 4.880 330 HA PHE 42 HA PHE 42 -10.905 0.126 4.945 331 HB2 PHE 42 HB2 PHE 42 -8.759 -0.399 2.959 332 HB3 PHE 42 HB1 PHE 42 -10.311 -1.185 2.704 333 HD1 PHE 42 HD2 PHE 42 -9.567 2.193 4.084 334 HD2 PHE 42 HD1 PHE 42 -11.265 -0.080 0.909 335 HE1 PHE 42 HE2 PHE 42 -10.460 4.258 3.087 336 HE2 PHE 42 HE1 PHE 42 -12.158 1.982 -0.092 337 HZ PHE 42 HZ PHE 42 -11.760 4.153 0.997 338 H LYS 43 HN LYS 43 -8.335 -2.040 5.723 339 HA LYS 43 HA LYS 43 -9.667 -4.480 5.235 340 HB2 LYS 43 HB2 LYS 43 -7.140 -3.852 5.940 341 HB3 LYS 43 HB1 LYS 43 -7.758 -4.395 7.494 342 HG2 LYS 43 HG2 LYS 43 -7.245 -6.449 6.821 343 HG3 LYS 43 HG1 LYS 43 -8.634 -6.331 5.741 344 HD2 LYS 43 HD2 LYS 43 -5.806 -5.543 5.044 345 HD3 LYS 43 HD1 LYS 43 -6.596 -7.044 4.560 346 HE2 LYS 43 HE2 LYS 43 -7.478 -4.257 3.809 347 HE3 LYS 43 HE1 LYS 43 -6.630 -5.389 2.757 348 HZ1 LYS 43 HZ1 LYS 43 -9.334 -5.785 3.924 349 HZ2 LYS 43 HZ2 LYS 43 -8.520 -6.901 2.948 350 HZ3 LYS 43 HZ3 LYS 43 -8.991 -5.406 2.310 351 H VAL 44 HN VAL 44 -9.540 -2.382 8.113 352 HA VAL 44 HA VAL 44 -10.969 -4.213 9.759 353 HB VAL 44 HB VAL 44 -11.298 -2.376 11.323 354 HG11 VAL 44 HG11 VAL 44 -8.537 -2.542 10.133 355 HG12 VAL 44 HG12 VAL 44 -9.201 -3.516 11.444 356 HG13 VAL 44 HG13 VAL 44 -8.907 -1.794 11.686 357 HG21 VAL 44 HG21 VAL 44 -10.422 -0.132 10.824 358 HG22 VAL 44 HG22 VAL 44 -11.768 -0.577 9.773 359 HG23 VAL 44 HG23 VAL 44 -10.115 -0.639 9.164 360 H PHE 45 HN PHE 45 -11.972 -1.607 7.582 361 HA PHE 45 HA PHE 45 -14.627 -1.396 8.470 362 HB2 PHE 45 HB2 PHE 45 -13.468 -0.976 5.706 363 HB3 PHE 45 HB1 PHE 45 -15.140 -0.624 6.121 364 HD1 PHE 45 HD2 PHE 45 -15.165 0.723 8.571 365 HD2 PHE 45 HD1 PHE 45 -12.208 0.927 5.521 366 HE1 PHE 45 HE2 PHE 45 -14.507 2.958 9.363 367 HE2 PHE 45 HE1 PHE 45 -11.542 3.159 6.306 368 HZ PHE 45 HZ PHE 45 -12.693 4.179 8.231 369 H ASP 46 HN ASP 46 -13.030 -3.948 6.879 370 HA ASP 46 HA ASP 46 -15.373 -5.140 5.711 371 HB2 ASP 46 HB2 ASP 46 -13.004 -5.505 4.892 372 HB3 ASP 46 HB1 ASP 46 -12.739 -6.494 6.325 373 H ARG 47 HN ARG 47 -16.896 -5.455 7.260 374 HA ARG 47 HA ARG 47 -16.529 -6.281 9.880 375 HB2 ARG 47 HB2 ARG 47 -18.940 -6.984 8.216 376 HB3 ARG 47 HB1 ARG 47 -18.871 -6.686 9.947 377 HG2 ARG 47 HG2 ARG 47 -18.272 -4.328 9.473 378 HG3 ARG 47 HG1 ARG 47 -18.486 -4.661 7.753 379 HD2 ARG 47 HD2 ARG 47 -20.601 -4.919 9.888 380 HD3 ARG 47 HD1 ARG 47 -20.481 -3.625 8.697 381 HE ARG 47 HE ARG 47 -20.634 -6.237 7.522 382 HH11 ARG 47 HH11 ARG 47 -22.491 -3.591 8.825 383 HH12 ARG 47 HH12 ARG 47 -23.921 -3.987 7.934 384 HH21 ARG 47 HH21 ARG 47 -22.510 -6.766 6.346 385 HH22 ARG 47 HH22 ARG 47 -23.933 -5.796 6.524 386 H ASP 48 HN ASP 48 -16.877 -8.248 6.963 387 HA ASP 48 HA ASP 48 -16.979 -10.706 8.489 388 HB2 ASP 48 HB2 ASP 48 -16.526 -10.623 5.534 389 HB3 ASP 48 HB1 ASP 48 -17.448 -11.780 6.486 390 H GLY 49 HN GLY 49 -14.558 -8.720 7.075 391 HA2 GLY 49 HA2 GLY 49 -12.285 -8.938 6.867 392 HA3 GLY 49 HA1 GLY 49 -12.410 -10.044 8.224 393 H ASN 50 HN ASN 50 -13.386 -10.196 4.789 394 HA ASN 50 HA ASN 50 -12.161 -12.862 4.655 395 HB2 ASN 50 HB2 ASN 50 -13.705 -11.834 2.341 396 HB3 ASN 50 HB1 ASN 50 -13.691 -13.439 3.063 397 HD21 ASN 50 HD21 ASN 50 -14.948 -13.809 4.941 398 HD22 ASN 50 HD22 ASN 50 -16.322 -12.819 5.289 399 H GLY 51 HN GLY 51 -11.346 -9.739 4.032 400 HA2 GLY 51 HA2 GLY 51 -9.246 -9.138 3.099 401 HA3 GLY 51 HA1 GLY 51 -9.311 -10.580 2.094 402 H PHE 52 HN PHE 52 -12.290 -9.575 1.761 403 HA PHE 52 HA PHE 52 -11.704 -7.612 -0.358 404 HB2 PHE 52 HB2 PHE 52 -13.899 -9.656 -0.602 405 HB3 PHE 52 HB1 PHE 52 -13.147 -8.695 -1.870 406 HD1 PHE 52 HD2 PHE 52 -10.928 -9.295 -2.729 407 HD2 PHE 52 HD1 PHE 52 -12.941 -11.704 0.144 408 HE1 PHE 52 HE2 PHE 52 -9.400 -11.160 -3.226 409 HE2 PHE 52 HE1 PHE 52 -11.418 -13.571 -0.345 410 HZ PHE 52 HZ PHE 52 -9.643 -13.301 -2.034 411 H ILE 53 HN ILE 53 -12.910 -5.813 -0.292 412 HA ILE 53 HA ILE 53 -15.044 -5.691 1.711 413 HB ILE 53 HB ILE 53 -13.596 -3.447 0.304 414 HG12 ILE 53 HG12 ILE 53 -13.368 -3.927 3.230 415 HG13 ILE 53 HG11 ILE 53 -12.513 -5.042 2.169 416 HG21 ILE 53 HG21 ILE 53 -15.597 -3.385 2.559 417 HG22 ILE 53 HG22 ILE 53 -15.850 -2.791 0.918 418 HG23 ILE 53 HG23 ILE 53 -14.679 -1.998 1.971 419 HD11 ILE 53 HD11 ILE 53 -11.055 -3.256 2.863 420 HD12 ILE 53 HD12 ILE 53 -12.192 -2.056 2.250 421 HD13 ILE 53 HD13 ILE 53 -11.366 -3.139 1.130 422 H SER 54 HN SER 54 -17.108 -5.475 1.189 423 HA SER 54 HA SER 54 -17.866 -5.399 -1.609 424 HB2 SER 54 HB2 SER 54 -19.452 -5.772 0.937 425 HB3 SER 54 HB1 SER 54 -20.186 -5.730 -0.664 426 HG SER 54 HG SER 54 -18.039 -7.465 -0.255 427 H LYS 55 HN LYS 55 -20.092 -4.081 -1.915 428 HA LYS 55 HA LYS 55 -19.344 -1.355 -1.812 429 HB2 LYS 55 HB2 LYS 55 -22.076 -2.524 -2.362 430 HB3 LYS 55 HB1 LYS 55 -21.532 -0.907 -2.782 431 HG2 LYS 55 HG2 LYS 55 -21.213 -1.885 -4.791 432 HG3 LYS 55 HG1 LYS 55 -19.664 -2.312 -4.065 433 HD2 LYS 55 HD2 LYS 55 -20.527 -4.287 -5.066 434 HD3 LYS 55 HD1 LYS 55 -20.723 -4.468 -3.321 435 HE2 LYS 55 HE2 LYS 55 -22.720 -5.211 -4.501 436 HE3 LYS 55 HE1 LYS 55 -23.063 -3.793 -3.512 437 HZ1 LYS 55 HZ1 LYS 55 -22.918 -2.416 -5.486 438 HZ2 LYS 55 HZ2 LYS 55 -24.080 -3.626 -5.700 439 HZ3 LYS 55 HZ3 LYS 55 -22.567 -3.769 -6.441 440 H GLN 56 HN GLN 56 -21.817 -3.217 -0.060 441 HA GLN 56 HA GLN 56 -22.873 -1.137 1.460 442 HB2 GLN 56 HB2 GLN 56 -22.576 -4.056 2.185 443 HB3 GLN 56 HB1 GLN 56 -23.598 -2.910 3.040 444 HG2 GLN 56 HG2 GLN 56 -23.895 -3.730 0.159 445 HG3 GLN 56 HG1 GLN 56 -24.887 -4.287 1.505 446 HE21 GLN 56 HE21 GLN 56 -25.648 -2.861 -0.930 447 HE22 GLN 56 HE22 GLN 56 -26.441 -1.417 -0.409 448 H GLU 57 HN GLU 57 -20.113 -3.253 2.113 449 HA GLU 57 HA GLU 57 -19.566 -2.288 4.711 450 HB2 GLU 57 HB2 GLU 57 -17.744 -3.572 2.668 451 HB3 GLU 57 HB1 GLU 57 -17.327 -3.312 4.355 452 HG2 GLU 57 HG2 GLU 57 -19.157 -4.770 5.040 453 HG3 GLU 57 HG1 GLU 57 -19.587 -5.024 3.349 454 H LEU 58 HN LEU 58 -18.307 -1.415 1.520 455 HA LEU 58 HA LEU 58 -16.435 0.499 2.351 456 HB2 LEU 58 HB2 LEU 58 -17.133 -0.585 -0.024 457 HB3 LEU 58 HB1 LEU 58 -17.912 0.976 -0.180 458 HG LEU 58 HG LEU 58 -15.672 0.904 -1.212 459 HD11 LEU 58 HD11 LEU 58 -15.841 2.751 1.161 460 HD12 LEU 58 HD12 LEU 58 -16.598 3.018 -0.410 461 HD13 LEU 58 HD13 LEU 58 -14.841 2.976 -0.274 462 HD21 LEU 58 HD21 LEU 58 -13.683 0.744 0.117 463 HD22 LEU 58 HD22 LEU 58 -14.675 -0.683 0.409 464 HD23 LEU 58 HD23 LEU 58 -14.629 0.618 1.600 465 H GLY 59 HN GLY 59 -19.868 0.548 2.251 466 HA2 GLY 59 HA2 GLY 59 -20.322 3.329 1.976 467 HA3 GLY 59 HA1 GLY 59 -21.432 2.171 2.697 468 H THR 60 HN THR 60 -19.297 1.365 4.637 469 HA THR 60 HA THR 60 -19.887 3.408 6.614 470 HB THR 60 HB THR 60 -18.337 0.839 7.001 471 HG1 THR 60 HG1 THR 60 -21.111 1.304 7.468 472 HG21 THR 60 HG21 THR 60 -19.803 2.616 8.957 473 HG22 THR 60 HG22 THR 60 -18.051 2.494 8.786 474 HG23 THR 60 HG23 THR 60 -18.982 1.106 9.350 475 H ALA 61 HN ALA 61 -17.306 2.394 4.585 476 HA ALA 61 HA ALA 61 -15.160 3.514 6.107 477 HB1 ALA 61 HB1 ALA 61 -13.813 3.138 4.118 478 HB2 ALA 61 HB2 ALA 61 -15.270 2.828 3.173 479 HB3 ALA 61 HB3 ALA 61 -14.809 1.725 4.469 480 H MET 62 HN MET 62 -17.055 4.616 3.320 481 HA MET 62 HA MET 62 -15.662 7.014 2.883 482 HB2 MET 62 HB2 MET 62 -18.516 6.263 2.250 483 HB3 MET 62 HB1 MET 62 -17.718 7.713 1.654 484 HG2 MET 62 HG2 MET 62 -16.881 4.876 1.094 485 HG3 MET 62 HG1 MET 62 -17.725 5.952 -0.019 486 HE1 MET 62 HE1 MET 62 -15.028 8.731 -0.635 487 HE2 MET 62 HE2 MET 62 -16.241 8.738 0.645 488 HE3 MET 62 HE3 MET 62 -16.672 8.190 -0.974 489 H ARG 63 HN ARG 63 -18.667 6.408 4.712 490 HA ARG 63 HA ARG 63 -19.225 9.019 5.447 491 HB2 ARG 63 HB2 ARG 63 -20.451 8.069 7.363 492 HB3 ARG 63 HB1 ARG 63 -20.797 7.226 5.861 493 HG2 ARG 63 HG2 ARG 63 -19.247 5.443 6.518 494 HG3 ARG 63 HG1 ARG 63 -18.946 6.284 8.039 495 HD2 ARG 63 HD2 ARG 63 -20.591 4.471 8.282 496 HD3 ARG 63 HD1 ARG 63 -21.272 6.050 8.668 497 HE ARG 63 HE ARG 63 -21.855 5.651 6.021 498 HH11 ARG 63 HH11 ARG 63 -22.484 3.936 8.990 499 HH12 ARG 63 HH12 ARG 63 -23.981 3.264 8.435 500 HH21 ARG 63 HH21 ARG 63 -23.823 4.773 5.283 501 HH22 ARG 63 HH22 ARG 63 -24.742 3.739 6.327 502 H SER 64 HN SER 64 -16.757 6.890 6.635 503 HA SER 64 HA SER 64 -16.218 8.128 9.098 504 HB2 SER 64 HB2 SER 64 -15.265 5.951 8.512 505 HB3 SER 64 HB1 SER 64 -14.315 6.697 7.227 506 HG SER 64 HG SER 64 -13.747 6.487 9.842 507 H LEU 65 HN LEU 65 -15.010 8.770 5.839 508 HA LEU 65 HA LEU 65 -13.183 10.802 6.592 509 HB2 LEU 65 HB2 LEU 65 -14.505 10.652 3.902 510 HB3 LEU 65 HB1 LEU 65 -12.883 11.188 4.296 511 HG LEU 65 HG LEU 65 -13.855 8.330 4.416 512 HD11 LEU 65 HD11 LEU 65 -12.426 7.982 2.475 513 HD12 LEU 65 HD12 LEU 65 -12.031 9.700 2.446 514 HD13 LEU 65 HD13 LEU 65 -13.683 9.170 2.132 515 HD21 LEU 65 HD21 LEU 65 -12.119 8.778 6.065 516 HD22 LEU 65 HD22 LEU 65 -11.100 9.494 4.817 517 HD23 LEU 65 HD23 LEU 65 -11.495 7.777 4.754 518 H GLY 66 HN GLY 66 -16.587 10.740 6.244 519 HA2 GLY 66 HA2 GLY 66 -17.737 12.660 7.296 520 HA3 GLY 66 HA1 GLY 66 -16.649 13.693 6.381 521 H TYR 67 HN TYR 67 -17.339 11.212 4.373 522 HA TYR 67 HA TYR 67 -19.560 12.692 3.132 523 HB2 TYR 67 HB2 TYR 67 -17.635 10.768 1.810 524 HB3 TYR 67 HB1 TYR 67 -18.841 11.766 1.006 525 HD1 TYR 67 HD1 TYR 67 -18.514 14.200 0.821 526 HD2 TYR 67 HD2 TYR 67 -15.532 11.682 2.513 527 HE1 TYR 67 HE1 TYR 67 -16.855 15.998 0.560 528 HE2 TYR 67 HE2 TYR 67 -13.866 13.471 2.257 529 HH TYR 67 HH TYR 67 -14.711 16.681 1.533 530 H MET 68 HN MET 68 -21.469 11.781 3.475 531 HA MET 68 HA MET 68 -21.668 8.929 4.006 532 HB2 MET 68 HB2 MET 68 -24.105 9.522 4.420 533 HB3 MET 68 HB1 MET 68 -22.927 10.236 5.511 534 HG2 MET 68 HG2 MET 68 -23.023 12.323 4.228 535 HG3 MET 68 HG1 MET 68 -24.235 11.604 3.171 536 HE1 MET 68 HE1 MET 68 -26.289 14.213 5.263 537 HE2 MET 68 HE2 MET 68 -25.760 13.723 3.654 538 HE3 MET 68 HE3 MET 68 -24.599 14.397 4.798 539 HA PRO 69 HA PRO 69 -22.984 8.491 -0.308 540 HB2 PRO 69 HB2 PRO 69 -22.065 6.033 -0.708 541 HB3 PRO 69 HB1 PRO 69 -20.943 7.390 -0.550 542 HG2 PRO 69 HG2 PRO 69 -21.668 5.287 1.440 543 HG3 PRO 69 HG1 PRO 69 -20.096 6.043 1.128 544 HD2 PRO 69 HD2 PRO 69 -21.889 6.743 3.168 545 HD3 PRO 69 HD1 PRO 69 -20.512 7.711 2.612 546 H ASN 70 HN ASN 70 -24.661 7.378 -1.321 547 HA ASN 70 HA ASN 70 -26.446 5.931 0.492 548 HB2 ASN 70 HB2 ASN 70 -28.042 6.296 -1.564 549 HB3 ASN 70 HB1 ASN 70 -27.715 7.616 -0.444 550 HD21 ASN 70 HD21 ASN 70 -26.783 6.213 -3.521 551 HD22 ASN 70 HD22 ASN 70 -26.217 7.682 -4.226 552 H GLU 71 HN GLU 71 -27.937 4.357 -0.962 553 HA GLU 71 HA GLU 71 -26.353 2.120 -1.502 554 HB2 GLU 71 HB2 GLU 71 -28.388 1.107 -2.410 555 HB3 GLU 71 HB1 GLU 71 -28.720 1.965 -0.912 556 HG2 GLU 71 HG2 GLU 71 -29.592 3.858 -2.201 557 HG3 GLU 71 HG1 GLU 71 -29.285 2.969 -3.693 558 H VAL 72 HN VAL 72 -27.168 4.801 -3.501 559 HA VAL 72 HA VAL 72 -26.545 3.399 -5.973 560 HB VAL 72 HB VAL 72 -27.136 6.337 -5.612 561 HG11 VAL 72 HG11 VAL 72 -26.079 5.751 -7.733 562 HG12 VAL 72 HG12 VAL 72 -27.755 6.246 -7.973 563 HG13 VAL 72 HG13 VAL 72 -27.324 4.536 -8.026 564 HG21 VAL 72 HG21 VAL 72 -29.450 5.789 -6.226 565 HG22 VAL 72 HG22 VAL 72 -28.977 5.035 -4.704 566 HG23 VAL 72 HG23 VAL 72 -29.048 4.072 -6.179 567 H GLU 73 HN GLU 73 -24.988 5.448 -3.661 568 HA GLU 73 HA GLU 73 -22.886 6.305 -5.439 569 HB2 GLU 73 HB2 GLU 73 -23.324 6.574 -2.473 570 HB3 GLU 73 HB1 GLU 73 -21.843 7.112 -3.252 571 HG2 GLU 73 HG2 GLU 73 -24.608 8.081 -3.939 572 HG3 GLU 73 HG1 GLU 73 -23.463 8.925 -2.899 573 H LEU 74 HN LEU 74 -23.080 4.092 -2.649 574 HA LEU 74 HA LEU 74 -20.438 3.254 -2.622 575 HB2 LEU 74 HB2 LEU 74 -21.395 1.104 -1.628 576 HB3 LEU 74 HB1 LEU 74 -21.705 2.608 -0.785 577 HG LEU 74 HG LEU 74 -23.952 2.604 -2.088 578 HD11 LEU 74 HD11 LEU 74 -24.803 0.392 -2.618 579 HD12 LEU 74 HD12 LEU 74 -23.239 -0.319 -2.223 580 HD13 LEU 74 HD13 LEU 74 -23.389 0.771 -3.600 581 HD21 LEU 74 HD21 LEU 74 -23.768 2.364 0.321 582 HD22 LEU 74 HD22 LEU 74 -23.400 0.649 0.139 583 HD23 LEU 74 HD23 LEU 74 -24.989 1.264 -0.319 584 H GLU 75 HN GLU 75 -22.740 2.711 -5.041 585 HA GLU 75 HA GLU 75 -21.606 0.211 -5.965 586 HB2 GLU 75 HB2 GLU 75 -23.726 2.021 -7.123 587 HB3 GLU 75 HB1 GLU 75 -23.215 0.512 -7.865 588 HG2 GLU 75 HG2 GLU 75 -23.920 -0.697 -5.846 589 HG3 GLU 75 HG1 GLU 75 -24.483 0.825 -5.153 590 H VAL 76 HN VAL 76 -21.403 3.631 -6.773 591 HA VAL 76 HA VAL 76 -19.868 3.066 -9.175 592 HB VAL 76 HB VAL 76 -19.821 5.492 -9.520 593 HG11 VAL 76 HG11 VAL 76 -21.693 4.188 -10.380 594 HG12 VAL 76 HG12 VAL 76 -22.213 5.803 -9.904 595 HG13 VAL 76 HG13 VAL 76 -22.564 4.423 -8.865 596 HG21 VAL 76 HG21 VAL 76 -19.753 6.147 -7.143 597 HG22 VAL 76 HG22 VAL 76 -21.441 5.662 -6.980 598 HG23 VAL 76 HG23 VAL 76 -21.007 6.999 -8.044 599 H ILE 77 HN ILE 77 -19.286 3.912 -5.880 600 HA ILE 77 HA ILE 77 -16.655 4.988 -6.323 601 HB ILE 77 HB ILE 77 -18.008 4.070 -3.784 602 HG12 ILE 77 HG12 ILE 77 -17.426 6.921 -4.240 603 HG13 ILE 77 HG11 ILE 77 -18.617 6.229 -5.338 604 HG21 ILE 77 HG21 ILE 77 -15.612 3.955 -3.502 605 HG22 ILE 77 HG22 ILE 77 -16.244 5.346 -2.622 606 HG23 ILE 77 HG23 ILE 77 -15.426 5.579 -4.167 607 HD11 ILE 77 HD11 ILE 77 -18.737 6.267 -2.335 608 HD12 ILE 77 HD12 ILE 77 -19.890 5.437 -3.378 609 HD13 ILE 77 HD13 ILE 77 -19.736 7.192 -3.456 610 H ILE 78 HN ILE 78 -18.027 1.860 -5.578 611 HA ILE 78 HA ILE 78 -15.636 0.590 -4.757 612 HB ILE 78 HB ILE 78 -18.281 -0.418 -5.743 613 HG12 ILE 78 HG12 ILE 78 -17.977 0.424 -3.408 614 HG13 ILE 78 HG11 ILE 78 -18.497 -1.254 -3.497 615 HG21 ILE 78 HG21 ILE 78 -15.830 -2.083 -5.206 616 HG22 ILE 78 HG22 ILE 78 -16.777 -2.006 -6.692 617 HG23 ILE 78 HG23 ILE 78 -17.469 -2.732 -5.241 618 HD11 ILE 78 HD11 ILE 78 -16.179 -1.966 -3.102 619 HD12 ILE 78 HD12 ILE 78 -16.829 -0.992 -1.786 620 HD13 ILE 78 HD13 ILE 78 -15.709 -0.274 -2.942 621 H GLN 79 HN GLN 79 -17.337 0.574 -7.915 622 HA GLN 79 HA GLN 79 -15.538 -1.055 -9.266 623 HB2 GLN 79 HB2 GLN 79 -16.496 -0.088 -11.320 624 HB3 GLN 79 HB1 GLN 79 -17.727 -0.550 -10.153 625 HG2 GLN 79 HG2 GLN 79 -17.894 1.806 -9.445 626 HG3 GLN 79 HG1 GLN 79 -16.729 2.236 -10.697 627 HE21 GLN 79 HE21 GLN 79 -18.186 3.569 -11.754 628 HE22 GLN 79 HE22 GLN 79 -19.520 2.950 -12.661 629 H ARG 80 HN ARG 80 -14.892 2.004 -8.018 630 HA ARG 80 HA ARG 80 -13.261 3.035 -10.121 631 HB2 ARG 80 HB2 ARG 80 -13.214 3.685 -7.168 632 HB3 ARG 80 HB1 ARG 80 -12.456 4.630 -8.442 633 HG2 ARG 80 HG2 ARG 80 -15.414 4.140 -8.164 634 HG3 ARG 80 HG1 ARG 80 -14.565 5.609 -7.677 635 HD2 ARG 80 HD2 ARG 80 -14.661 4.507 -10.484 636 HD3 ARG 80 HD1 ARG 80 -15.670 5.819 -9.876 637 HE ARG 80 HE ARG 80 -12.939 6.409 -9.453 638 HH11 ARG 80 HH11 ARG 80 -15.331 6.211 -11.979 639 HH12 ARG 80 HH12 ARG 80 -14.558 7.393 -12.981 640 HH21 ARG 80 HH21 ARG 80 -11.915 7.968 -10.764 641 HH22 ARG 80 HH22 ARG 80 -12.617 8.394 -12.289 642 H LEU 81 HN LEU 81 -12.726 0.980 -7.334 643 HA LEU 81 HA LEU 81 -9.871 0.785 -8.018 644 HB2 LEU 81 HB2 LEU 81 -10.978 -0.414 -5.528 645 HB3 LEU 81 HB1 LEU 81 -9.404 0.300 -5.818 646 HG LEU 81 HG LEU 81 -11.971 1.862 -5.513 647 HD11 LEU 81 HD11 LEU 81 -11.338 0.776 -3.427 648 HD12 LEU 81 HD12 LEU 81 -11.080 2.518 -3.335 649 HD13 LEU 81 HD13 LEU 81 -9.708 1.434 -3.569 650 HD21 LEU 81 HD21 LEU 81 -9.105 2.795 -5.611 651 HD22 LEU 81 HD22 LEU 81 -10.532 3.808 -5.397 652 HD23 LEU 81 HD23 LEU 81 -10.276 2.957 -6.920 653 H ASP 82 HN ASP 82 -12.840 -1.004 -7.655 654 HA ASP 82 HA ASP 82 -11.689 -3.606 -7.794 655 HB2 ASP 82 HB2 ASP 82 -13.891 -3.228 -6.797 656 HB3 ASP 82 HB1 ASP 82 -14.516 -2.684 -8.351 657 H MET 83 HN MET 83 -10.269 -3.439 -9.590 658 HA MET 83 HA MET 83 -11.157 -2.832 -12.211 659 HB2 MET 83 HB2 MET 83 -8.763 -4.475 -11.367 660 HB3 MET 83 HB1 MET 83 -9.010 -3.737 -12.944 661 HG2 MET 83 HG2 MET 83 -8.669 -2.280 -10.334 662 HG3 MET 83 HG1 MET 83 -7.462 -2.438 -11.608 663 HE1 MET 83 HE1 MET 83 -8.522 1.359 -11.719 664 HE2 MET 83 HE2 MET 83 -7.164 0.243 -11.574 665 HE3 MET 83 HE3 MET 83 -8.379 0.321 -10.298 666 H ASP 84 HN ASP 84 -10.931 -5.817 -10.371 667 HA ASP 84 HA ASP 84 -11.400 -7.584 -12.530 668 HB2 ASP 84 HB2 ASP 84 -11.961 -7.971 -9.582 669 HB3 ASP 84 HB1 ASP 84 -11.936 -9.251 -10.789 670 H GLY 85 HN GLY 85 -13.494 -5.624 -10.583 671 HA2 GLY 85 HA2 GLY 85 -15.723 -5.118 -10.862 672 HA3 GLY 85 HA1 GLY 85 -15.705 -6.091 -12.324 673 H ASP 86 HN ASP 86 -14.757 -7.384 -9.215 674 HA ASP 86 HA ASP 86 -16.967 -9.279 -9.388 675 HB2 ASP 86 HB2 ASP 86 -15.764 -10.540 -7.661 676 HB3 ASP 86 HB1 ASP 86 -14.710 -10.170 -9.022 677 H GLY 87 HN GLY 87 -17.027 -6.351 -8.407 678 HA2 GLY 87 HA2 GLY 87 -18.440 -5.231 -6.972 679 HA3 GLY 87 HA1 GLY 87 -19.003 -6.788 -6.386 680 H GLN 88 HN GLN 88 -15.794 -7.034 -6.057 681 HA GLN 88 HA GLN 88 -15.706 -5.662 -3.460 682 HB2 GLN 88 HB2 GLN 88 -14.670 -8.464 -3.906 683 HB3 GLN 88 HB1 GLN 88 -14.762 -7.590 -2.383 684 HG2 GLN 88 HG2 GLN 88 -17.120 -7.740 -2.329 685 HG3 GLN 88 HG1 GLN 88 -17.192 -8.296 -4.000 686 HE21 GLN 88 HE21 GLN 88 -18.328 -10.144 -3.465 687 HE22 GLN 88 HE22 GLN 88 -17.599 -11.477 -2.642 688 H VAL 89 HN VAL 89 -13.769 -4.766 -2.915 689 HA VAL 89 HA VAL 89 -11.715 -4.779 -5.001 690 HB VAL 89 HB VAL 89 -11.993 -2.944 -2.615 691 HG11 VAL 89 HG11 VAL 89 -10.194 -2.815 -5.031 692 HG12 VAL 89 HG12 VAL 89 -9.700 -3.086 -3.359 693 HG13 VAL 89 HG13 VAL 89 -10.379 -1.530 -3.837 694 HG21 VAL 89 HG21 VAL 89 -12.715 -2.482 -5.508 695 HG22 VAL 89 HG22 VAL 89 -12.785 -1.278 -4.222 696 HG23 VAL 89 HG23 VAL 89 -13.852 -2.682 -4.175 697 H ASP 90 HN ASP 90 -9.857 -5.821 -4.757 698 HA ASP 90 HA ASP 90 -9.252 -7.086 -2.212 699 HB2 ASP 90 HB2 ASP 90 -9.103 -8.411 -4.280 700 HB3 ASP 90 HB1 ASP 90 -7.864 -7.319 -4.892 701 H PHE 91 HN PHE 91 -7.179 -6.935 -1.192 702 HA PHE 91 HA PHE 91 -6.265 -4.377 -0.729 703 HB2 PHE 91 HB2 PHE 91 -5.753 -6.141 0.818 704 HB3 PHE 91 HB1 PHE 91 -4.833 -7.018 -0.400 705 HD1 PHE 91 HD2 PHE 91 -4.850 -3.577 1.066 706 HD2 PHE 91 HD1 PHE 91 -2.565 -6.962 -0.133 707 HE1 PHE 91 HE2 PHE 91 -2.793 -2.445 1.803 708 HE2 PHE 91 HE1 PHE 91 -0.505 -5.836 0.601 709 HZ PHE 91 HZ PHE 91 -0.616 -3.575 1.570 710 H GLU 92 HN GLU 92 -4.903 -6.787 -2.951 711 HA GLU 92 HA GLU 92 -2.636 -5.451 -3.775 712 HB2 GLU 92 HB2 GLU 92 -4.463 -7.192 -5.434 713 HB3 GLU 92 HB1 GLU 92 -2.818 -6.751 -5.871 714 HG2 GLU 92 HG2 GLU 92 -1.975 -7.908 -3.896 715 HG3 GLU 92 HG1 GLU 92 -3.624 -8.342 -3.446 716 H GLU 93 HN GLU 93 -5.766 -5.401 -5.496 717 HA GLU 93 HA GLU 93 -5.158 -3.550 -7.431 718 HB2 GLU 93 HB2 GLU 93 -7.798 -3.813 -5.987 719 HB3 GLU 93 HB1 GLU 93 -7.554 -3.092 -7.572 720 HG2 GLU 93 HG2 GLU 93 -6.991 -5.181 -8.532 721 HG3 GLU 93 HG1 GLU 93 -6.879 -5.953 -6.952 722 H PHE 94 HN PHE 94 -6.002 -2.954 -4.074 723 HA PHE 94 HA PHE 94 -6.178 -0.090 -4.481 724 HB2 PHE 94 HB2 PHE 94 -7.697 -1.199 -2.905 725 HB3 PHE 94 HB1 PHE 94 -6.323 -1.733 -1.945 726 HD1 PHE 94 HD2 PHE 94 -7.361 1.536 -3.438 727 HD2 PHE 94 HD1 PHE 94 -6.184 -0.615 0.043 728 HE1 PHE 94 HE2 PHE 94 -7.483 3.610 -2.119 729 HE2 PHE 94 HE1 PHE 94 -6.306 1.455 1.368 730 HZ PHE 94 HZ PHE 94 -6.955 3.571 0.287 731 H VAL 95 HN VAL 95 -3.747 -2.375 -3.633 732 HA VAL 95 HA VAL 95 -2.111 -0.579 -2.120 733 HB VAL 95 HB VAL 95 -2.100 -3.212 -2.193 734 HG11 VAL 95 HG11 VAL 95 -0.617 -4.255 -3.620 735 HG12 VAL 95 HG12 VAL 95 0.256 -2.765 -3.973 736 HG13 VAL 95 HG13 VAL 95 -1.335 -3.038 -4.677 737 HG21 VAL 95 HG21 VAL 95 -0.810 -1.798 -0.667 738 HG22 VAL 95 HG22 VAL 95 0.431 -1.601 -1.905 739 HG23 VAL 95 HG23 VAL 95 0.121 -3.193 -1.212 740 H THR 96 HN THR 96 -2.448 -1.374 -5.502 741 HA THR 96 HA THR 96 0.021 -0.110 -6.282 742 HB THR 96 HB THR 96 -2.310 -0.956 -8.014 743 HG1 THR 96 HG1 THR 96 -1.548 -2.809 -7.117 744 HG21 THR 96 HG21 THR 96 -0.652 -0.972 -9.823 745 HG22 THR 96 HG22 THR 96 0.573 -0.375 -8.703 746 HG23 THR 96 HG23 THR 96 -0.813 0.635 -9.115 747 H LEU 97 HN LEU 97 -3.428 0.695 -6.375 748 HA LEU 97 HA LEU 97 -3.315 3.056 -7.824 749 HB2 LEU 97 HB2 LEU 97 -5.116 2.321 -5.519 750 HB3 LEU 97 HB1 LEU 97 -5.374 3.699 -6.572 751 HG LEU 97 HG LEU 97 -5.288 0.846 -7.550 752 HD11 LEU 97 HD11 LEU 97 -7.160 1.113 -6.033 753 HD12 LEU 97 HD12 LEU 97 -7.732 1.015 -7.698 754 HD13 LEU 97 HD13 LEU 97 -7.664 2.575 -6.879 755 HD21 LEU 97 HD21 LEU 97 -6.301 1.774 -9.560 756 HD22 LEU 97 HD22 LEU 97 -4.752 2.550 -9.227 757 HD23 LEU 97 HD23 LEU 97 -6.257 3.388 -8.852 758 H LEU 98 HN LEU 98 -2.532 2.475 -4.450 759 HA LEU 98 HA LEU 98 -1.983 5.339 -4.091 760 HB2 LEU 98 HB2 LEU 98 -1.861 4.817 -1.681 761 HB3 LEU 98 HB1 LEU 98 -3.417 4.433 -2.390 762 HG LEU 98 HG LEU 98 -2.413 2.018 -2.585 763 HD11 LEU 98 HD11 LEU 98 -0.734 3.247 -0.405 764 HD12 LEU 98 HD12 LEU 98 -0.163 2.518 -1.906 765 HD13 LEU 98 HD13 LEU 98 -0.923 1.515 -0.672 766 HD21 LEU 98 HD21 LEU 98 -3.337 1.485 -0.393 767 HD22 LEU 98 HD22 LEU 98 -4.356 2.645 -1.245 768 HD23 LEU 98 HD23 LEU 98 -3.291 3.192 0.050 769 H GLY 99 HN GLY 99 -0.458 2.349 -4.626 770 HA2 GLY 99 HA2 GLY 99 2.140 3.533 -3.863 771 HA3 GLY 99 HA1 GLY 99 1.780 1.830 -3.623 772 HA PRO 100 HA PRO 100 2.059 2.727 -8.492 773 HB2 PRO 100 HB2 PRO 100 4.019 4.955 -8.230 774 HB3 PRO 100 HB1 PRO 100 2.734 4.721 -9.420 775 HG2 PRO 100 HG2 PRO 100 2.454 6.493 -7.455 776 HG3 PRO 100 HG1 PRO 100 1.085 5.500 -7.987 777 HD2 PRO 100 HD2 PRO 100 2.788 5.234 -5.549 778 HD3 PRO 100 HD1 PRO 100 1.047 4.944 -5.748 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 22.001 -40.958 -10.267 2 H2 MET 1 HT2 MET 1 20.350 -41.078 -10.617 3 H3 MET 1 HT3 MET 1 21.274 -42.480 -10.412 4 HA MET 1 HA MET 1 19.900 -42.030 -8.478 5 HB2 MET 1 HB2 MET 1 22.876 -41.694 -8.050 6 HB3 MET 1 HB1 MET 1 21.725 -42.128 -6.794 7 HG2 MET 1 HG2 MET 1 21.175 -44.177 -8.004 8 HG3 MET 1 HG1 MET 1 22.332 -43.743 -9.261 9 HE1 MET 1 HE1 MET 1 22.708 -43.252 -5.352 10 HE2 MET 1 HE2 MET 1 23.482 -44.774 -4.912 11 HE3 MET 1 HE3 MET 1 21.830 -44.771 -5.526 12 HA PRO 2 HA PRO 2 20.028 -37.370 -8.304 13 HB2 PRO 2 HB2 PRO 2 17.324 -37.076 -8.110 14 HB3 PRO 2 HB1 PRO 2 18.186 -37.144 -9.651 15 HG2 PRO 2 HG2 PRO 2 16.693 -39.304 -8.217 16 HG3 PRO 2 HG1 PRO 2 16.703 -38.906 -9.945 17 HD2 PRO 2 HD2 PRO 2 18.142 -40.952 -8.929 18 HD3 PRO 2 HD1 PRO 2 18.705 -39.995 -10.314 19 H PHE 3 HN PHE 3 20.597 -36.720 -6.332 20 HA PHE 3 HA PHE 3 19.389 -37.923 -3.977 21 HB2 PHE 3 HB2 PHE 3 21.858 -37.600 -4.154 22 HB3 PHE 3 HB1 PHE 3 21.594 -35.861 -4.140 23 HD1 PHE 3 HD1 PHE 3 20.864 -38.916 -2.140 24 HD2 PHE 3 HD2 PHE 3 21.629 -34.729 -2.131 25 HE1 PHE 3 HE1 PHE 3 20.921 -38.935 0.320 26 HE2 PHE 3 HE2 PHE 3 21.686 -34.741 0.328 27 HZ PHE 3 HZ PHE 3 21.333 -36.847 1.557 28 H HIS 4 HN HIS 4 19.256 -34.981 -5.795 29 HA HIS 4 HA HIS 4 17.942 -33.511 -3.659 30 HB2 HIS 4 HB2 HIS 4 18.696 -32.781 -6.489 31 HB3 HIS 4 HB1 HIS 4 17.787 -31.706 -5.433 32 HD1 HIS 4 HD1 HIS 4 19.090 -30.371 -3.736 33 HD2 HIS 4 HD2 HIS 4 21.396 -33.262 -5.631 34 HE1 HIS 4 HE1 HIS 4 21.462 -29.899 -3.045 35 HE2 HIS 4 HE2 HIS 4 22.831 -31.701 -4.150 36 HA PRO 5 HA PRO 5 14.023 -35.249 -5.127 37 HB2 PRO 5 HB2 PRO 5 12.905 -33.608 -2.951 38 HB3 PRO 5 HB1 PRO 5 12.790 -35.349 -3.216 39 HG2 PRO 5 HG2 PRO 5 14.302 -34.324 -1.252 40 HG3 PRO 5 HG1 PRO 5 14.787 -35.779 -2.141 41 HD2 PRO 5 HD2 PRO 5 15.748 -32.958 -2.451 42 HD3 PRO 5 HD1 PRO 5 16.674 -34.474 -2.481 43 H VAL 6 HN VAL 6 12.640 -34.467 -6.588 44 HA VAL 6 HA VAL 6 11.550 -33.042 -7.979 45 HB VAL 6 HB VAL 6 11.562 -31.121 -5.648 46 HG11 VAL 6 HG11 VAL 6 10.932 -30.095 -7.768 47 HG12 VAL 6 HG12 VAL 6 9.539 -30.221 -6.694 48 HG13 VAL 6 HG13 VAL 6 9.727 -31.356 -8.032 49 HG21 VAL 6 HG21 VAL 6 9.384 -32.083 -5.067 50 HG22 VAL 6 HG22 VAL 6 10.671 -33.284 -4.966 51 HG23 VAL 6 HG23 VAL 6 9.574 -33.280 -6.348 52 H THR 7 HN THR 7 13.051 -30.402 -6.188 53 HA THR 7 HA THR 7 14.085 -29.248 -8.587 54 HB THR 7 HB THR 7 15.069 -27.535 -7.106 55 HG1 THR 7 HG1 THR 7 14.709 -29.496 -5.254 56 HG21 THR 7 HG21 THR 7 12.730 -27.324 -7.806 57 HG22 THR 7 HG22 THR 7 12.970 -26.672 -6.186 58 HG23 THR 7 HG23 THR 7 12.222 -28.255 -6.398 59 H ALA 8 HN ALA 8 16.410 -28.512 -8.702 60 HA ALA 8 HA ALA 8 18.355 -30.228 -7.418 61 HB1 ALA 8 HB1 ALA 8 17.600 -31.617 -9.289 62 HB2 ALA 8 HB2 ALA 8 19.282 -31.122 -9.484 63 HB3 ALA 8 HB3 ALA 8 18.013 -30.323 -10.413 64 H ALA 9 HN ALA 9 19.784 -28.767 -6.753 65 HA ALA 9 HA ALA 9 20.247 -26.323 -8.213 66 HB1 ALA 9 HB1 ALA 9 20.189 -26.332 -5.763 67 HB2 ALA 9 HB2 ALA 9 21.733 -25.737 -6.376 68 HB3 ALA 9 HB3 ALA 9 21.610 -27.376 -5.736 69 H LEU 10 HN LEU 10 21.997 -29.305 -7.535 70 HA LEU 10 HA LEU 10 23.866 -30.239 -8.422 71 HB2 LEU 10 HB2 LEU 10 23.240 -28.420 -10.748 72 HB3 LEU 10 HB1 LEU 10 24.331 -29.792 -10.790 73 HG LEU 10 HG LEU 10 21.378 -30.006 -10.203 74 HD11 LEU 10 HD11 LEU 10 21.720 -29.195 -12.469 75 HD12 LEU 10 HD12 LEU 10 21.169 -30.870 -12.482 76 HD13 LEU 10 HD13 LEU 10 22.869 -30.498 -12.776 77 HD21 LEU 10 HD21 LEU 10 23.448 -32.097 -10.869 78 HD22 LEU 10 HD22 LEU 10 21.728 -32.385 -10.610 79 HD23 LEU 10 HD23 LEU 10 22.738 -31.817 -9.280 80 H MET 11 HN MET 11 23.938 -27.479 -7.053 81 HA MET 11 HA MET 11 26.769 -27.004 -7.621 82 HB2 MET 11 HB2 MET 11 24.653 -24.848 -7.515 83 HB3 MET 11 HB1 MET 11 26.385 -24.543 -7.510 84 HG2 MET 11 HG2 MET 11 26.610 -25.483 -9.708 85 HG3 MET 11 HG1 MET 11 24.917 -25.975 -9.711 86 HE1 MET 11 HE1 MET 11 22.879 -24.318 -9.949 87 HE2 MET 11 HE2 MET 11 23.041 -22.564 -9.863 88 HE3 MET 11 HE3 MET 11 23.417 -23.554 -8.453 89 H TYR 12 HN TYR 12 27.373 -25.034 -5.918 90 HA TYR 12 HA TYR 12 27.043 -26.305 -3.356 91 HB2 TYR 12 HB2 TYR 12 28.584 -24.563 -2.540 92 HB3 TYR 12 HB1 TYR 12 29.214 -25.373 -3.969 93 HD1 TYR 12 HD1 TYR 12 29.320 -24.193 -6.120 94 HD2 TYR 12 HD2 TYR 12 27.985 -22.230 -2.590 95 HE1 TYR 12 HE1 TYR 12 29.628 -22.017 -7.223 96 HE2 TYR 12 HE2 TYR 12 28.285 -20.048 -3.683 97 HH TYR 12 HH TYR 12 29.613 -19.086 -5.541 98 H ARG 13 HN ARG 13 25.892 -23.394 -4.950 99 HA ARG 13 HA ARG 13 23.678 -23.172 -3.167 100 HB2 ARG 13 HB2 ARG 13 25.497 -22.174 -1.785 101 HB3 ARG 13 HB1 ARG 13 25.741 -20.965 -3.038 102 HG2 ARG 13 HG2 ARG 13 23.351 -20.282 -2.710 103 HG3 ARG 13 HG1 ARG 13 23.317 -21.348 -1.303 104 HD2 ARG 13 HD2 ARG 13 25.103 -18.958 -1.732 105 HD3 ARG 13 HD1 ARG 13 23.771 -19.093 -0.585 106 HE ARG 13 HE ARG 13 25.547 -21.135 0.009 107 HH11 ARG 13 HH11 ARG 13 25.550 -17.651 -0.050 108 HH12 ARG 13 HH12 ARG 13 26.728 -17.502 1.211 109 HH21 ARG 13 HH21 ARG 13 27.102 -20.948 1.667 110 HH22 ARG 13 HH22 ARG 13 27.612 -19.376 2.184 111 H GLY 14 HN GLY 14 22.384 -23.112 -4.967 112 HA2 GLY 14 HA2 GLY 14 22.007 -20.592 -6.222 113 HA3 GLY 14 HA1 GLY 14 22.806 -21.706 -7.320 114 H ILE 15 HN ILE 15 19.873 -20.535 -6.360 115 HA ILE 15 HA ILE 15 18.423 -22.358 -7.983 116 HB ILE 15 HB ILE 15 18.606 -23.826 -6.057 117 HG12 ILE 15 HG12 ILE 15 16.180 -24.165 -5.586 118 HG13 ILE 15 HG11 ILE 15 15.846 -22.619 -6.361 119 HG21 ILE 15 HG21 ILE 15 17.315 -21.601 -4.485 120 HG22 ILE 15 HG22 ILE 15 18.983 -22.153 -4.333 121 HG23 ILE 15 HG23 ILE 15 17.655 -23.223 -3.886 122 HD11 ILE 15 HD11 ILE 15 16.672 -23.467 -8.469 123 HD12 ILE 15 HD12 ILE 15 15.412 -24.525 -7.833 124 HD13 ILE 15 HD13 ILE 15 17.107 -24.997 -7.708 125 H TYR 16 HN TYR 16 16.502 -21.507 -8.622 126 HA TYR 16 HA TYR 16 15.880 -18.828 -7.649 127 HB2 TYR 16 HB2 TYR 16 14.395 -18.708 -9.631 128 HB3 TYR 16 HB1 TYR 16 16.058 -19.095 -10.060 129 HD1 TYR 16 HD1 TYR 16 16.647 -21.380 -10.789 130 HD2 TYR 16 HD2 TYR 16 12.614 -20.263 -10.026 131 HE1 TYR 16 HE1 TYR 16 15.872 -23.368 -12.012 132 HE2 TYR 16 HE2 TYR 16 11.828 -22.248 -11.247 133 HH TYR 16 HH TYR 16 12.628 -23.800 -12.951 134 H THR 17 HN THR 17 13.827 -18.212 -6.921 135 HA THR 17 HA THR 17 12.175 -20.452 -5.959 136 HB THR 17 HB THR 17 12.366 -17.669 -4.793 137 HG1 THR 17 HG1 THR 17 13.280 -19.256 -3.035 138 HG21 THR 17 HG21 THR 17 10.198 -18.731 -4.406 139 HG22 THR 17 HG22 THR 17 11.125 -18.636 -2.910 140 HG23 THR 17 HG23 THR 17 11.004 -20.166 -3.776 141 H VAL 18 HN VAL 18 11.944 -17.078 -7.085 142 HA VAL 18 HA VAL 18 9.122 -17.479 -7.691 143 HB VAL 18 HB VAL 18 9.077 -15.077 -8.214 144 HG11 VAL 18 HG11 VAL 18 8.646 -15.801 -5.935 145 HG12 VAL 18 HG12 VAL 18 9.494 -14.254 -5.939 146 HG13 VAL 18 HG13 VAL 18 10.371 -15.740 -5.571 147 HG21 VAL 18 HG21 VAL 18 11.050 -13.688 -7.756 148 HG22 VAL 18 HG22 VAL 18 11.337 -14.819 -9.077 149 HG23 VAL 18 HG23 VAL 18 12.002 -15.144 -7.477 150 HA PRO 19 HA PRO 19 9.770 -18.272 -11.993 151 HB2 PRO 19 HB2 PRO 19 7.465 -17.217 -13.020 152 HB3 PRO 19 HB1 PRO 19 7.549 -18.780 -12.202 153 HG2 PRO 19 HG2 PRO 19 6.657 -16.129 -11.148 154 HG3 PRO 19 HG1 PRO 19 5.966 -17.737 -10.869 155 HD2 PRO 19 HD2 PRO 19 7.538 -16.496 -9.054 156 HD3 PRO 19 HD1 PRO 19 7.513 -18.261 -9.246 157 H ASN 20 HN ASN 20 8.112 -15.130 -11.676 158 HA ASN 20 HA ASN 20 10.363 -13.742 -12.860 159 HB2 ASN 20 HB2 ASN 20 7.680 -13.891 -14.250 160 HB3 ASN 20 HB1 ASN 20 8.926 -12.710 -14.643 161 HD21 ASN 20 HD21 ASN 20 7.957 -16.030 -14.825 162 HD22 ASN 20 HD22 ASN 20 9.180 -16.540 -15.935 163 H LEU 21 HN LEU 21 9.796 -13.269 -10.414 164 HA LEU 21 HA LEU 21 7.808 -11.132 -10.214 165 HB2 LEU 21 HB2 LEU 21 8.590 -13.194 -8.499 166 HB3 LEU 21 HB1 LEU 21 9.223 -11.733 -7.765 167 HG LEU 21 HG LEU 21 6.429 -11.531 -8.655 168 HD11 LEU 21 HD11 LEU 21 7.173 -13.350 -6.370 169 HD12 LEU 21 HD12 LEU 21 6.447 -13.849 -7.897 170 HD13 LEU 21 HD13 LEU 21 5.543 -12.819 -6.786 171 HD21 LEU 21 HD21 LEU 21 7.534 -9.772 -7.389 172 HD22 LEU 21 HD22 LEU 21 7.869 -10.905 -6.079 173 HD23 LEU 21 HD23 LEU 21 6.204 -10.463 -6.458 174 H LEU 22 HN LEU 22 10.291 -10.723 -11.652 175 HA LEU 22 HA LEU 22 11.709 -8.847 -9.895 176 HB2 LEU 22 HB2 LEU 22 13.407 -8.830 -11.772 177 HB3 LEU 22 HB1 LEU 22 13.249 -10.325 -10.871 178 HG LEU 22 HG LEU 22 11.652 -11.037 -12.799 179 HD11 LEU 22 HD11 LEU 22 13.224 -8.833 -14.123 180 HD12 LEU 22 HD12 LEU 22 11.477 -8.886 -13.893 181 HD13 LEU 22 HD13 LEU 22 12.260 -10.047 -14.964 182 HD21 LEU 22 HD21 LEU 22 13.538 -11.937 -14.040 183 HD22 LEU 22 HD22 LEU 22 13.822 -12.054 -12.304 184 HD23 LEU 22 HD23 LEU 22 14.623 -10.797 -13.245 185 H SER 23 HN SER 23 9.492 -8.989 -12.476 186 HA SER 23 HA SER 23 9.974 -6.159 -13.131 187 HB2 SER 23 HB2 SER 23 10.121 -7.643 -15.074 188 HB3 SER 23 HB1 SER 23 8.512 -8.277 -14.728 189 HG SER 23 HG SER 23 8.873 -6.421 -16.331 190 H GLU 24 HN GLU 24 7.605 -8.490 -12.048 191 HA GLU 24 HA GLU 24 5.408 -6.630 -12.118 192 HB2 GLU 24 HB2 GLU 24 5.597 -9.308 -10.730 193 HB3 GLU 24 HB1 GLU 24 4.124 -8.408 -11.061 194 HG2 GLU 24 HG2 GLU 24 5.974 -9.640 -13.091 195 HG3 GLU 24 HG1 GLU 24 4.366 -10.207 -12.641 196 H GLN 25 HN GLN 25 8.025 -7.047 -10.096 197 HA GLN 25 HA GLN 25 6.684 -6.389 -7.621 198 HB2 GLN 25 HB2 GLN 25 8.697 -7.845 -7.676 199 HB3 GLN 25 HB1 GLN 25 9.642 -6.472 -8.237 200 HG2 GLN 25 HG2 GLN 25 9.947 -6.832 -5.858 201 HG3 GLN 25 HG1 GLN 25 9.167 -5.281 -6.169 202 HE21 GLN 25 HE21 GLN 25 8.780 -8.486 -4.895 203 HE22 GLN 25 HE22 GLN 25 7.275 -8.208 -4.094 204 H ARG 26 HN ARG 26 6.262 -4.408 -6.915 205 HA ARG 26 HA ARG 26 6.868 -2.116 -8.473 206 HB2 ARG 26 HB2 ARG 26 5.795 -2.306 -5.654 207 HB3 ARG 26 HB1 ARG 26 5.785 -0.859 -6.651 208 HG2 ARG 26 HG2 ARG 26 4.232 -1.811 -8.171 209 HG3 ARG 26 HG1 ARG 26 4.405 -3.409 -7.442 210 HD2 ARG 26 HD2 ARG 26 3.256 -0.973 -6.084 211 HD3 ARG 26 HD1 ARG 26 2.320 -2.303 -6.764 212 HE ARG 26 HE ARG 26 4.165 -2.581 -4.479 213 HH11 ARG 26 HH11 ARG 26 1.272 -3.465 -6.210 214 HH12 ARG 26 HH12 ARG 26 0.745 -4.596 -5.009 215 HH21 ARG 26 HH21 ARG 26 3.476 -4.063 -2.890 216 HH22 ARG 26 HH22 ARG 26 1.997 -4.935 -3.120 217 HA PRO 27 HA PRO 27 10.895 -1.349 -6.673 218 HB2 PRO 27 HB2 PRO 27 11.449 0.954 -7.956 219 HB3 PRO 27 HB1 PRO 27 11.474 -0.609 -8.784 220 HG2 PRO 27 HG2 PRO 27 9.328 1.481 -8.747 221 HG3 PRO 27 HG1 PRO 27 9.956 0.550 -10.119 222 HD2 PRO 27 HD2 PRO 27 7.645 -0.082 -8.826 223 HD3 PRO 27 HD1 PRO 27 8.678 -1.293 -9.611 224 H VAL 28 HN VAL 28 10.184 -0.965 -4.517 225 HA VAL 28 HA VAL 28 9.947 1.895 -3.863 226 HB VAL 28 HB VAL 28 8.432 1.309 -1.993 227 HG11 VAL 28 HG11 VAL 28 6.426 0.944 -3.371 228 HG12 VAL 28 HG12 VAL 28 7.458 0.529 -4.739 229 HG13 VAL 28 HG13 VAL 28 7.502 2.157 -4.064 230 HG21 VAL 28 HG21 VAL 28 8.412 -1.414 -3.291 231 HG22 VAL 28 HG22 VAL 28 7.302 -0.886 -2.027 232 HG23 VAL 28 HG23 VAL 28 9.028 -1.017 -1.687 233 H ASP 29 HN ASP 29 10.396 2.293 -1.483 234 HA ASP 29 HA ASP 29 12.327 0.395 -0.364 235 HB2 ASP 29 HB2 ASP 29 13.508 2.200 -1.706 236 HB3 ASP 29 HB1 ASP 29 12.911 3.356 -0.519 237 H ILE 30 HN ILE 30 9.635 0.935 0.382 238 HA ILE 30 HA ILE 30 9.929 2.432 2.894 239 HB ILE 30 HB ILE 30 7.403 1.516 1.514 240 HG12 ILE 30 HG12 ILE 30 8.464 3.276 0.230 241 HG13 ILE 30 HG11 ILE 30 7.059 3.932 1.062 242 HG21 ILE 30 HG21 ILE 30 7.108 1.633 3.909 243 HG22 ILE 30 HG22 ILE 30 6.257 2.969 3.133 244 HG23 ILE 30 HG23 ILE 30 7.798 3.256 3.941 245 HD11 ILE 30 HD11 ILE 30 8.540 4.887 2.770 246 HD12 ILE 30 HD12 ILE 30 8.893 5.492 1.152 247 HD13 ILE 30 HD13 ILE 30 9.933 4.270 1.882 248 HA PRO 31 HA PRO 31 9.919 -1.489 5.034 249 HB2 PRO 31 HB2 PRO 31 9.552 -0.564 7.554 250 HB3 PRO 31 HB1 PRO 31 11.095 -0.421 6.701 251 HG2 PRO 31 HG2 PRO 31 8.939 1.624 7.071 252 HG3 PRO 31 HG1 PRO 31 10.696 1.814 7.215 253 HD2 PRO 31 HD2 PRO 31 9.328 2.570 5.007 254 HD3 PRO 31 HD1 PRO 31 10.995 1.965 4.936 255 H GLU 32 HN GLU 32 8.430 -2.931 5.696 256 HA GLU 32 HA GLU 32 5.769 -2.705 5.172 257 HB2 GLU 32 HB2 GLU 32 6.910 -4.830 5.606 258 HB3 GLU 32 HB1 GLU 32 7.020 -4.429 7.314 259 HG2 GLU 32 HG2 GLU 32 4.603 -4.483 7.507 260 HG3 GLU 32 HG1 GLU 32 4.458 -4.812 5.781 261 H ASP 33 HN ASP 33 7.404 -1.358 7.875 262 HA ASP 33 HA ASP 33 5.397 -1.270 9.803 263 HB2 ASP 33 HB2 ASP 33 7.683 -0.605 10.295 264 HB3 ASP 33 HB1 ASP 33 7.550 0.765 9.197 265 H GLU 34 HN GLU 34 6.020 0.930 7.084 266 HA GLU 34 HA GLU 34 3.859 2.679 7.774 267 HB2 GLU 34 HB2 GLU 34 5.485 3.846 6.665 268 HB3 GLU 34 HB1 GLU 34 5.942 2.475 5.668 269 HG2 GLU 34 HG2 GLU 34 5.048 4.006 4.197 270 HG3 GLU 34 HG1 GLU 34 3.756 2.841 4.444 271 H LEU 35 HN LEU 35 4.269 -0.209 5.957 272 HA LEU 35 HA LEU 35 2.034 0.091 4.208 273 HB2 LEU 35 HB2 LEU 35 4.004 -1.461 3.879 274 HB3 LEU 35 HB1 LEU 35 3.306 -2.487 5.116 275 HG LEU 35 HG LEU 35 1.205 -2.511 3.605 276 HD11 LEU 35 HD11 LEU 35 3.283 -1.783 1.551 277 HD12 LEU 35 HD12 LEU 35 2.024 -0.693 2.126 278 HD13 LEU 35 HD13 LEU 35 1.587 -2.167 1.262 279 HD21 LEU 35 HD21 LEU 35 2.606 -4.453 4.019 280 HD22 LEU 35 HD22 LEU 35 3.741 -3.916 2.782 281 HD23 LEU 35 HD23 LEU 35 2.105 -4.395 2.329 282 H GLU 36 HN GLU 36 2.506 -1.054 7.456 283 HA GLU 36 HA GLU 36 0.215 -2.585 7.839 284 HB2 GLU 36 HB2 GLU 36 2.019 -2.469 9.480 285 HB3 GLU 36 HB1 GLU 36 1.640 -0.784 9.806 286 HG2 GLU 36 HG2 GLU 36 -0.554 -1.453 10.665 287 HG3 GLU 36 HG1 GLU 36 -0.149 -3.141 10.359 288 H GLU 37 HN GLU 37 0.653 0.909 7.948 289 HA GLU 37 HA GLU 37 -1.789 1.638 9.075 290 HB2 GLU 37 HB2 GLU 37 0.024 3.233 8.732 291 HB3 GLU 37 HB1 GLU 37 -0.152 3.091 6.988 292 HG2 GLU 37 HG2 GLU 37 -2.353 4.087 7.095 293 HG3 GLU 37 HG1 GLU 37 -2.262 4.153 8.854 294 H ILE 38 HN ILE 38 -0.945 0.929 5.722 295 HA ILE 38 HA ILE 38 -3.328 1.706 4.499 296 HB ILE 38 HB ILE 38 -1.487 -0.560 3.716 297 HG12 ILE 38 HG12 ILE 38 -1.562 2.309 2.753 298 HG13 ILE 38 HG11 ILE 38 -0.417 1.688 3.939 299 HG21 ILE 38 HG21 ILE 38 -2.413 -0.236 1.456 300 HG22 ILE 38 HG22 ILE 38 -3.565 0.927 2.113 301 HG23 ILE 38 HG23 ILE 38 -3.635 -0.763 2.612 302 HD11 ILE 38 HD11 ILE 38 0.595 1.829 1.746 303 HD12 ILE 38 HD12 ILE 38 -0.667 0.796 1.076 304 HD13 ILE 38 HD13 ILE 38 0.467 0.148 2.258 305 H ARG 39 HN ARG 39 -2.378 -1.536 5.645 306 HA ARG 39 HA ARG 39 -4.815 -2.802 5.071 307 HB2 ARG 39 HB2 ARG 39 -2.743 -3.460 7.171 308 HB3 ARG 39 HB1 ARG 39 -4.069 -4.520 6.713 309 HG2 ARG 39 HG2 ARG 39 -2.740 -5.394 5.177 310 HG3 ARG 39 HG1 ARG 39 -2.813 -3.856 4.316 311 HD2 ARG 39 HD2 ARG 39 -0.506 -4.492 4.661 312 HD3 ARG 39 HD1 ARG 39 -0.882 -3.063 5.622 313 HE ARG 39 HE ARG 39 -1.204 -4.785 7.496 314 HH11 ARG 39 HH11 ARG 39 1.108 -5.069 4.903 315 HH12 ARG 39 HH12 ARG 39 2.220 -6.021 5.827 316 HH21 ARG 39 HH21 ARG 39 0.258 -6.037 8.720 317 HH22 ARG 39 HH22 ARG 39 1.739 -6.570 7.995 318 H GLU 40 HN GLU 40 -3.629 -1.991 8.337 319 HA GLU 40 HA GLU 40 -5.811 -2.441 9.836 320 HB2 GLU 40 HB2 GLU 40 -3.985 -0.046 10.045 321 HB3 GLU 40 HB1 GLU 40 -5.101 -0.552 11.304 322 HG2 GLU 40 HG2 GLU 40 -2.848 -2.228 10.219 323 HG3 GLU 40 HG1 GLU 40 -2.788 -1.283 11.707 324 H ALA 41 HN ALA 41 -5.523 0.168 7.531 325 HA ALA 41 HA ALA 41 -7.662 1.745 8.519 326 HB1 ALA 41 HB1 ALA 41 -5.927 2.638 7.046 327 HB2 ALA 41 HB2 ALA 41 -7.544 2.917 6.398 328 HB3 ALA 41 HB3 ALA 41 -6.533 1.634 5.729 329 H PHE 42 HN PHE 42 -7.732 0.240 5.296 330 HA PHE 42 HA PHE 42 -10.591 0.057 5.426 331 HB2 PHE 42 HB2 PHE 42 -8.516 -0.493 3.350 332 HB3 PHE 42 HB1 PHE 42 -10.147 -1.110 3.124 333 HD1 PHE 42 HD1 PHE 42 -8.292 2.024 3.865 334 HD2 PHE 42 HD2 PHE 42 -11.777 0.242 2.193 335 HE1 PHE 42 HE1 PHE 42 -9.003 4.221 3.016 336 HE2 PHE 42 HE2 PHE 42 -12.494 2.436 1.340 337 HZ PHE 42 HZ PHE 42 -11.106 4.429 1.752 338 H LYS 43 HN LYS 43 -8.005 -2.093 6.111 339 HA LYS 43 HA LYS 43 -9.314 -4.537 5.578 340 HB2 LYS 43 HB2 LYS 43 -6.789 -3.936 6.205 341 HB3 LYS 43 HB1 LYS 43 -7.347 -4.404 7.804 342 HG2 LYS 43 HG2 LYS 43 -6.317 -6.273 6.652 343 HG3 LYS 43 HG1 LYS 43 -8.030 -6.576 6.935 344 HD2 LYS 43 HD2 LYS 43 -7.338 -7.273 4.685 345 HD3 LYS 43 HD1 LYS 43 -8.540 -5.984 4.631 346 HE2 LYS 43 HE2 LYS 43 -6.758 -4.343 4.253 347 HE3 LYS 43 HE1 LYS 43 -5.559 -5.636 4.307 348 HZ1 LYS 43 HZ1 LYS 43 -6.123 -5.035 2.034 349 HZ2 LYS 43 HZ2 LYS 43 -7.751 -5.398 2.315 350 HZ3 LYS 43 HZ3 LYS 43 -6.592 -6.628 2.361 351 H VAL 44 HN VAL 44 -9.164 -2.490 8.489 352 HA VAL 44 HA VAL 44 -10.581 -4.340 10.122 353 HB VAL 44 HB VAL 44 -10.925 -2.502 11.693 354 HG11 VAL 44 HG11 VAL 44 -8.811 -3.656 11.765 355 HG12 VAL 44 HG12 VAL 44 -8.557 -1.943 12.095 356 HG13 VAL 44 HG13 VAL 44 -8.156 -2.605 10.510 357 HG21 VAL 44 HG21 VAL 44 -9.712 -0.757 9.558 358 HG22 VAL 44 HG22 VAL 44 -10.089 -0.257 11.205 359 HG23 VAL 44 HG23 VAL 44 -11.387 -0.715 10.103 360 H PHE 45 HN PHE 45 -11.574 -1.713 7.978 361 HA PHE 45 HA PHE 45 -14.262 -1.576 8.811 362 HB2 PHE 45 HB2 PHE 45 -13.025 -0.992 6.111 363 HB3 PHE 45 HB1 PHE 45 -14.705 -0.659 6.508 364 HD1 PHE 45 HD1 PHE 45 -14.666 0.481 9.121 365 HD2 PHE 45 HD2 PHE 45 -11.872 0.989 5.953 366 HE1 PHE 45 HE1 PHE 45 -14.030 2.672 10.039 367 HE2 PHE 45 HE2 PHE 45 -11.225 3.179 6.868 368 HZ PHE 45 HZ PHE 45 -12.306 4.024 8.914 369 H ASP 46 HN ASP 46 -12.557 -3.992 7.124 370 HA ASP 46 HA ASP 46 -14.818 -5.147 5.774 371 HB2 ASP 46 HB2 ASP 46 -12.513 -5.440 4.929 372 HB3 ASP 46 HB1 ASP 46 -12.101 -6.338 6.386 373 H ARG 47 HN ARG 47 -16.427 -5.755 7.113 374 HA ARG 47 HA ARG 47 -16.054 -6.824 9.703 375 HB2 ARG 47 HB2 ARG 47 -18.509 -7.140 7.982 376 HB3 ARG 47 HB1 ARG 47 -18.421 -7.155 9.739 377 HG2 ARG 47 HG2 ARG 47 -17.689 -4.777 9.660 378 HG3 ARG 47 HG1 ARG 47 -17.977 -4.800 7.918 379 HD2 ARG 47 HD2 ARG 47 -20.009 -5.260 10.097 380 HD3 ARG 47 HD1 ARG 47 -19.897 -3.861 9.030 381 HE ARG 47 HE ARG 47 -20.164 -6.024 7.363 382 HH11 ARG 47 HH11 ARG 47 -22.010 -4.637 9.973 383 HH12 ARG 47 HH12 ARG 47 -23.536 -5.161 9.343 384 HH21 ARG 47 HH21 ARG 47 -22.167 -6.720 6.528 385 HH22 ARG 47 HH22 ARG 47 -23.624 -6.347 7.387 386 H ASP 48 HN ASP 48 -16.575 -8.341 6.549 387 HA ASP 48 HA ASP 48 -16.857 -10.971 7.646 388 HB2 ASP 48 HB2 ASP 48 -16.239 -10.173 4.795 389 HB3 ASP 48 HB1 ASP 48 -16.853 -11.731 5.340 390 H GLY 49 HN GLY 49 -14.204 -8.970 6.844 391 HA2 GLY 49 HA2 GLY 49 -11.937 -9.308 6.826 392 HA3 GLY 49 HA1 GLY 49 -12.268 -10.606 7.962 393 H ASN 50 HN ASN 50 -13.608 -10.724 4.753 394 HA ASN 50 HA ASN 50 -12.190 -13.177 4.229 395 HB2 ASN 50 HB2 ASN 50 -13.512 -13.184 2.112 396 HB3 ASN 50 HB1 ASN 50 -14.505 -13.055 3.557 397 HD21 ASN 50 HD21 ASN 50 -15.204 -12.324 0.879 398 HD22 ASN 50 HD22 ASN 50 -15.559 -10.633 0.890 399 H GLY 51 HN GLY 51 -11.404 -9.991 3.888 400 HA2 GLY 51 HA2 GLY 51 -9.245 -9.387 3.026 401 HA3 GLY 51 HA1 GLY 51 -9.423 -10.644 1.810 402 H PHE 52 HN PHE 52 -12.311 -9.646 1.513 403 HA PHE 52 HA PHE 52 -11.669 -7.342 -0.210 404 HB2 PHE 52 HB2 PHE 52 -14.065 -9.055 -0.730 405 HB3 PHE 52 HB1 PHE 52 -13.093 -8.118 -1.857 406 HD1 PHE 52 HD2 PHE 52 -13.176 -11.217 0.141 407 HD2 PHE 52 HD1 PHE 52 -11.297 -9.083 -3.019 408 HE1 PHE 52 HE2 PHE 52 -11.962 -13.257 -0.499 409 HE2 PHE 52 HE1 PHE 52 -10.074 -11.119 -3.672 410 HZ PHE 52 HZ PHE 52 -10.406 -13.209 -2.412 411 H ILE 53 HN ILE 53 -12.916 -5.542 -0.052 412 HA ILE 53 HA ILE 53 -14.878 -5.513 2.124 413 HB ILE 53 HB ILE 53 -13.502 -3.216 0.722 414 HG12 ILE 53 HG12 ILE 53 -13.084 -3.809 3.604 415 HG13 ILE 53 HG11 ILE 53 -12.334 -4.910 2.454 416 HG21 ILE 53 HG21 ILE 53 -15.708 -2.574 1.518 417 HG22 ILE 53 HG22 ILE 53 -14.451 -1.817 2.497 418 HG23 ILE 53 HG23 ILE 53 -15.332 -3.213 3.117 419 HD11 ILE 53 HD11 ILE 53 -11.213 -3.000 1.395 420 HD12 ILE 53 HD12 ILE 53 -10.783 -3.184 3.095 421 HD13 ILE 53 HD13 ILE 53 -11.928 -1.934 2.605 422 H SER 54 HN SER 54 -16.919 -5.763 1.546 423 HA SER 54 HA SER 54 -17.861 -5.499 -1.091 424 HB2 SER 54 HB2 SER 54 -19.337 -5.694 1.533 425 HB3 SER 54 HB1 SER 54 -20.141 -5.711 -0.036 426 HG SER 54 HG SER 54 -18.579 -7.520 -0.476 427 H LYS 55 HN LYS 55 -19.890 -4.105 -1.570 428 HA LYS 55 HA LYS 55 -19.084 -1.418 -1.584 429 HB2 LYS 55 HB2 LYS 55 -21.804 -2.629 -2.107 430 HB3 LYS 55 HB1 LYS 55 -21.375 -0.960 -2.451 431 HG2 LYS 55 HG2 LYS 55 -21.101 -1.927 -4.507 432 HG3 LYS 55 HG1 LYS 55 -19.465 -2.037 -3.863 433 HD2 LYS 55 HD2 LYS 55 -19.949 -4.143 -4.826 434 HD3 LYS 55 HD1 LYS 55 -20.055 -4.360 -3.079 435 HE2 LYS 55 HE2 LYS 55 -21.900 -5.484 -4.172 436 HE3 LYS 55 HE1 LYS 55 -22.497 -4.128 -3.215 437 HZ1 LYS 55 HZ1 LYS 55 -22.040 -4.071 -6.150 438 HZ2 LYS 55 HZ2 LYS 55 -22.684 -2.817 -5.215 439 HZ3 LYS 55 HZ3 LYS 55 -23.548 -4.258 -5.404 440 H GLN 56 HN GLN 56 -21.568 -3.075 0.341 441 HA GLN 56 HA GLN 56 -22.480 -0.792 1.711 442 HB2 GLN 56 HB2 GLN 56 -22.561 -3.722 2.422 443 HB3 GLN 56 HB1 GLN 56 -23.328 -2.479 3.400 444 HG2 GLN 56 HG2 GLN 56 -25.010 -3.398 2.032 445 HG3 GLN 56 HG1 GLN 56 -24.626 -1.816 1.357 446 HE21 GLN 56 HE21 GLN 56 -25.381 -2.327 -0.676 447 HE22 GLN 56 HE22 GLN 56 -24.563 -3.426 -1.728 448 H GLU 57 HN GLU 57 -19.736 -2.872 2.210 449 HA GLU 57 HA GLU 57 -19.219 -2.006 4.898 450 HB2 GLU 57 HB2 GLU 57 -17.472 -3.459 2.903 451 HB3 GLU 57 HB1 GLU 57 -17.050 -3.186 4.588 452 HG2 GLU 57 HG2 GLU 57 -18.909 -4.532 5.319 453 HG3 GLU 57 HG1 GLU 57 -19.461 -4.727 3.656 454 H LEU 58 HN LEU 58 -17.693 -1.367 1.739 455 HA LEU 58 HA LEU 58 -15.835 0.520 2.707 456 HB2 LEU 58 HB2 LEU 58 -15.816 -0.685 0.461 457 HB3 LEU 58 HB1 LEU 58 -16.995 0.498 -0.076 458 HG LEU 58 HG LEU 58 -14.747 1.850 1.096 459 HD11 LEU 58 HD11 LEU 58 -14.088 -0.057 -1.144 460 HD12 LEU 58 HD12 LEU 58 -13.484 -0.153 0.510 461 HD13 LEU 58 HD13 LEU 58 -13.033 1.209 -0.516 462 HD21 LEU 58 HD21 LEU 58 -14.727 3.000 -1.023 463 HD22 LEU 58 HD22 LEU 58 -16.395 2.781 -0.492 464 HD23 LEU 58 HD23 LEU 58 -15.726 1.745 -1.752 465 H GLY 59 HN GLY 59 -19.197 0.678 2.138 466 HA2 GLY 59 HA2 GLY 59 -19.466 3.456 1.604 467 HA3 GLY 59 HA1 GLY 59 -20.728 2.392 2.212 468 H THR 60 HN THR 60 -18.765 1.668 4.442 469 HA THR 60 HA THR 60 -19.605 3.800 6.240 470 HB THR 60 HB THR 60 -18.166 1.215 6.893 471 HG1 THR 60 HG1 THR 60 -20.098 0.472 6.327 472 HG21 THR 60 HG21 THR 60 -19.668 3.157 8.656 473 HG22 THR 60 HG22 THR 60 -17.919 2.938 8.615 474 HG23 THR 60 HG23 THR 60 -18.958 1.630 9.177 475 H ALA 61 HN ALA 61 -16.826 2.616 4.601 476 HA ALA 61 HA ALA 61 -14.867 3.913 6.252 477 HB1 ALA 61 HB1 ALA 61 -13.286 3.290 4.505 478 HB2 ALA 61 HB2 ALA 61 -14.620 2.832 3.447 479 HB3 ALA 61 HB3 ALA 61 -14.319 1.926 4.930 480 H MET 62 HN MET 62 -16.527 4.664 3.221 481 HA MET 62 HA MET 62 -15.040 6.995 2.621 482 HB2 MET 62 HB2 MET 62 -17.829 6.217 1.753 483 HB3 MET 62 HB1 MET 62 -16.848 7.482 1.024 484 HG2 MET 62 HG2 MET 62 -16.178 4.548 1.079 485 HG3 MET 62 HG1 MET 62 -16.826 5.436 -0.298 486 HE1 MET 62 HE1 MET 62 -13.891 7.839 -1.208 487 HE2 MET 62 HE2 MET 62 -15.289 8.179 -0.188 488 HE3 MET 62 HE3 MET 62 -15.485 7.243 -1.669 489 H ARG 63 HN ARG 63 -18.154 6.495 4.266 490 HA ARG 63 HA ARG 63 -18.882 9.164 4.561 491 HB2 ARG 63 HB2 ARG 63 -20.329 8.449 6.362 492 HB3 ARG 63 HB1 ARG 63 -20.365 7.255 5.074 493 HG2 ARG 63 HG2 ARG 63 -18.922 5.792 6.319 494 HG3 ARG 63 HG1 ARG 63 -18.710 7.013 7.575 495 HD2 ARG 63 HD2 ARG 63 -21.279 5.616 6.836 496 HD3 ARG 63 HD1 ARG 63 -20.319 5.348 8.291 497 HE ARG 63 HE ARG 63 -21.082 8.070 8.065 498 HH11 ARG 63 HH11 ARG 63 -22.316 4.920 8.901 499 HH12 ARG 63 HH12 ARG 63 -23.540 5.539 9.959 500 HH21 ARG 63 HH21 ARG 63 -22.689 8.893 9.455 501 HH22 ARG 63 HH22 ARG 63 -23.751 7.797 10.274 502 H SER 64 HN SER 64 -16.536 7.267 6.294 503 HA SER 64 HA SER 64 -16.227 8.874 8.569 504 HB2 SER 64 HB2 SER 64 -15.206 6.654 8.404 505 HB3 SER 64 HB1 SER 64 -14.147 7.221 7.112 506 HG SER 64 HG SER 64 -13.815 7.409 9.768 507 H LEU 65 HN LEU 65 -14.862 9.103 5.335 508 HA LEU 65 HA LEU 65 -13.122 11.289 5.956 509 HB2 LEU 65 HB2 LEU 65 -14.114 10.591 3.207 510 HB3 LEU 65 HB1 LEU 65 -12.582 11.314 3.661 511 HG LEU 65 HG LEU 65 -13.393 8.458 4.216 512 HD11 LEU 65 HD11 LEU 65 -11.732 7.877 2.529 513 HD12 LEU 65 HD12 LEU 65 -11.451 9.588 2.208 514 HD13 LEU 65 HD13 LEU 65 -13.020 8.869 1.843 515 HD21 LEU 65 HD21 LEU 65 -11.048 8.167 4.873 516 HD22 LEU 65 HD22 LEU 65 -11.887 9.315 5.915 517 HD23 LEU 65 HD23 LEU 65 -10.782 9.898 4.669 518 H GLY 66 HN GLY 66 -16.451 10.963 5.141 519 HA2 GLY 66 HA2 GLY 66 -17.817 12.940 5.746 520 HA3 GLY 66 HA1 GLY 66 -16.645 13.899 4.856 521 H TYR 67 HN TYR 67 -17.503 10.827 3.567 522 HA TYR 67 HA TYR 67 -19.257 12.134 1.590 523 HB2 TYR 67 HB2 TYR 67 -17.290 9.880 1.124 524 HB3 TYR 67 HB1 TYR 67 -18.394 10.532 -0.082 525 HD1 TYR 67 HD2 TYR 67 -15.327 11.135 1.827 526 HD2 TYR 67 HD1 TYR 67 -17.982 12.690 -1.112 527 HE1 TYR 67 HE2 TYR 67 -13.634 12.799 1.188 528 HE2 TYR 67 HE1 TYR 67 -16.296 14.359 -1.760 529 HH TYR 67 HH TYR 67 -14.338 15.465 -0.811 530 H MET 68 HN MET 68 -21.272 11.483 1.978 531 HA MET 68 HA MET 68 -21.746 8.772 2.973 532 HB2 MET 68 HB2 MET 68 -24.122 9.703 3.275 533 HB3 MET 68 HB1 MET 68 -22.858 10.312 4.334 534 HG2 MET 68 HG2 MET 68 -22.633 12.288 2.882 535 HG3 MET 68 HG1 MET 68 -23.964 11.686 1.896 536 HE1 MET 68 HE1 MET 68 -25.049 14.109 2.264 537 HE2 MET 68 HE2 MET 68 -23.791 14.615 3.392 538 HE3 MET 68 HE3 MET 68 -25.490 14.757 3.843 539 HA PRO 69 HA PRO 69 -23.142 8.049 -1.294 540 HB2 PRO 69 HB2 PRO 69 -22.313 5.536 -1.526 541 HB3 PRO 69 HB1 PRO 69 -21.149 6.867 -1.527 542 HG2 PRO 69 HG2 PRO 69 -21.860 4.972 0.671 543 HG3 PRO 69 HG1 PRO 69 -20.274 5.621 0.219 544 HD2 PRO 69 HD2 PRO 69 -21.901 6.584 2.273 545 HD3 PRO 69 HD1 PRO 69 -20.550 7.458 1.528 546 H ASN 70 HN ASN 70 -25.027 7.174 -2.031 547 HA ASN 70 HA ASN 70 -26.791 5.979 -0.075 548 HB2 ASN 70 HB2 ASN 70 -27.275 6.683 -2.979 549 HB3 ASN 70 HB1 ASN 70 -28.509 6.169 -1.833 550 HD21 ASN 70 HD21 ASN 70 -26.390 8.732 -2.810 551 HD22 ASN 70 HD22 ASN 70 -27.118 9.975 -1.855 552 H GLU 71 HN GLU 71 -28.368 4.273 -1.412 553 HA GLU 71 HA GLU 71 -26.904 1.877 -1.397 554 HB2 GLU 71 HB2 GLU 71 -28.979 0.856 -2.308 555 HB3 GLU 71 HB1 GLU 71 -29.257 1.868 -0.898 556 HG2 GLU 71 HG2 GLU 71 -30.042 3.673 -2.320 557 HG3 GLU 71 HG1 GLU 71 -29.715 2.703 -3.755 558 H VAL 72 HN VAL 72 -27.804 4.041 -4.007 559 HA VAL 72 HA VAL 72 -26.869 2.171 -6.034 560 HB VAL 72 HB VAL 72 -28.877 3.503 -6.495 561 HG11 VAL 72 HG11 VAL 72 -28.714 5.911 -6.889 562 HG12 VAL 72 HG12 VAL 72 -27.023 5.881 -6.389 563 HG13 VAL 72 HG13 VAL 72 -28.294 5.503 -5.224 564 HG21 VAL 72 HG21 VAL 72 -28.254 4.286 -8.723 565 HG22 VAL 72 HG22 VAL 72 -27.487 2.740 -8.358 566 HG23 VAL 72 HG23 VAL 72 -26.549 4.232 -8.273 567 H GLU 73 HN GLU 73 -25.701 4.894 -4.257 568 HA GLU 73 HA GLU 73 -23.712 5.745 -6.096 569 HB2 GLU 73 HB2 GLU 73 -23.892 6.116 -3.105 570 HB3 GLU 73 HB1 GLU 73 -22.756 6.950 -4.156 571 HG2 GLU 73 HG2 GLU 73 -25.756 7.154 -4.287 572 HG3 GLU 73 HG1 GLU 73 -24.661 8.354 -3.602 573 H LEU 74 HN LEU 74 -23.511 3.716 -3.158 574 HA LEU 74 HA LEU 74 -20.774 3.222 -3.273 575 HB2 LEU 74 HB2 LEU 74 -21.376 1.077 -2.019 576 HB3 LEU 74 HB1 LEU 74 -21.788 2.611 -1.279 577 HG LEU 74 HG LEU 74 -24.129 2.264 -2.266 578 HD11 LEU 74 HD11 LEU 74 -23.499 0.464 -3.822 579 HD12 LEU 74 HD12 LEU 74 -24.784 -0.018 -2.715 580 HD13 LEU 74 HD13 LEU 74 -23.133 -0.573 -2.444 581 HD21 LEU 74 HD21 LEU 74 -23.639 2.088 0.105 582 HD22 LEU 74 HD22 LEU 74 -23.092 0.425 -0.114 583 HD23 LEU 74 HD23 LEU 74 -24.786 0.838 -0.379 584 H GLU 75 HN GLU 75 -23.169 2.188 -5.423 585 HA GLU 75 HA GLU 75 -21.840 -0.251 -6.219 586 HB2 GLU 75 HB2 GLU 75 -24.179 1.254 -7.393 587 HB3 GLU 75 HB1 GLU 75 -23.568 -0.262 -8.037 588 HG2 GLU 75 HG2 GLU 75 -24.047 -1.348 -5.886 589 HG3 GLU 75 HG1 GLU 75 -24.713 0.172 -5.289 590 H VAL 76 HN VAL 76 -22.003 3.088 -7.309 591 HA VAL 76 HA VAL 76 -20.545 2.477 -9.743 592 HB VAL 76 HB VAL 76 -20.701 4.871 -10.243 593 HG11 VAL 76 HG11 VAL 76 -22.516 3.375 -10.899 594 HG12 VAL 76 HG12 VAL 76 -23.122 4.985 -10.513 595 HG13 VAL 76 HG13 VAL 76 -23.321 3.668 -9.356 596 HG21 VAL 76 HG21 VAL 76 -20.551 5.697 -7.927 597 HG22 VAL 76 HG22 VAL 76 -22.182 5.095 -7.624 598 HG23 VAL 76 HG23 VAL 76 -21.922 6.386 -8.797 599 H ILE 77 HN ILE 77 -19.880 3.599 -6.547 600 HA ILE 77 HA ILE 77 -17.321 4.755 -7.206 601 HB ILE 77 HB ILE 77 -18.530 4.076 -4.522 602 HG12 ILE 77 HG12 ILE 77 -18.169 6.880 -5.364 603 HG13 ILE 77 HG11 ILE 77 -19.366 5.977 -6.287 604 HG21 ILE 77 HG21 ILE 77 -16.090 5.712 -5.208 605 HG22 ILE 77 HG22 ILE 77 -16.111 4.159 -4.372 606 HG23 ILE 77 HG23 ILE 77 -16.813 5.584 -3.604 607 HD11 ILE 77 HD11 ILE 77 -20.492 5.386 -4.185 608 HD12 ILE 77 HD12 ILE 77 -20.427 7.125 -4.467 609 HD13 ILE 77 HD13 ILE 77 -19.327 6.379 -3.308 610 H ILE 78 HN ILE 78 -18.535 1.654 -6.204 611 HA ILE 78 HA ILE 78 -15.942 0.641 -5.436 612 HB ILE 78 HB ILE 78 -18.678 -0.575 -5.619 613 HG12 ILE 78 HG12 ILE 78 -18.015 0.797 -3.650 614 HG13 ILE 78 HG11 ILE 78 -18.408 -0.867 -3.235 615 HG21 ILE 78 HG21 ILE 78 -17.272 -2.329 -6.450 616 HG22 ILE 78 HG22 ILE 78 -17.688 -2.704 -4.777 617 HG23 ILE 78 HG23 ILE 78 -16.093 -2.059 -5.167 618 HD11 ILE 78 HD11 ILE 78 -16.462 -0.085 -2.018 619 HD12 ILE 78 HD12 ILE 78 -15.637 0.266 -3.537 620 HD13 ILE 78 HD13 ILE 78 -16.034 -1.399 -3.112 621 H GLN 79 HN GLN 79 -17.808 0.812 -8.359 622 HA GLN 79 HA GLN 79 -16.522 -1.427 -9.622 623 HB2 GLN 79 HB2 GLN 79 -17.643 -0.659 -11.662 624 HB3 GLN 79 HB1 GLN 79 -18.764 -0.765 -10.313 625 HG2 GLN 79 HG2 GLN 79 -18.720 1.618 -10.023 626 HG3 GLN 79 HG1 GLN 79 -17.469 1.783 -11.254 627 HE21 GLN 79 HE21 GLN 79 -18.726 3.143 -12.511 628 HE22 GLN 79 HE22 GLN 79 -20.088 2.578 -13.413 629 H ARG 80 HN ARG 80 -15.784 1.899 -9.131 630 HA ARG 80 HA ARG 80 -14.091 2.314 -11.364 631 HB2 ARG 80 HB2 ARG 80 -14.010 3.619 -8.635 632 HB3 ARG 80 HB1 ARG 80 -13.207 4.214 -10.080 633 HG2 ARG 80 HG2 ARG 80 -16.186 3.881 -9.845 634 HG3 ARG 80 HG1 ARG 80 -15.331 5.382 -9.491 635 HD2 ARG 80 HD2 ARG 80 -14.459 5.416 -11.780 636 HD3 ARG 80 HD1 ARG 80 -15.326 3.922 -12.130 637 HE ARG 80 HE ARG 80 -17.282 5.586 -11.281 638 HH11 ARG 80 HH11 ARG 80 -14.785 5.874 -13.694 639 HH12 ARG 80 HH12 ARG 80 -15.711 6.925 -14.712 640 HH21 ARG 80 HH21 ARG 80 -18.510 6.969 -12.618 641 HH22 ARG 80 HH22 ARG 80 -17.827 7.549 -14.100 642 H LEU 81 HN LEU 81 -13.448 1.378 -8.001 643 HA LEU 81 HA LEU 81 -10.650 0.961 -8.464 644 HB2 LEU 81 HB2 LEU 81 -12.453 0.242 -6.154 645 HB3 LEU 81 HB1 LEU 81 -10.728 -0.065 -6.165 646 HG LEU 81 HG LEU 81 -10.409 2.433 -6.490 647 HD11 LEU 81 HD11 LEU 81 -12.282 3.849 -5.718 648 HD12 LEU 81 HD12 LEU 81 -13.330 2.431 -5.748 649 HD13 LEU 81 HD13 LEU 81 -12.617 3.032 -7.244 650 HD21 LEU 81 HD21 LEU 81 -11.716 1.461 -3.952 651 HD22 LEU 81 HD22 LEU 81 -10.720 2.908 -4.112 652 HD23 LEU 81 HD23 LEU 81 -10.007 1.314 -4.365 653 H ASP 82 HN ASP 82 -13.520 -1.069 -8.226 654 HA ASP 82 HA ASP 82 -12.126 -3.549 -8.362 655 HB2 ASP 82 HB2 ASP 82 -14.371 -3.397 -7.398 656 HB3 ASP 82 HB1 ASP 82 -15.021 -2.893 -8.955 657 H MET 83 HN MET 83 -10.700 -3.118 -10.152 658 HA MET 83 HA MET 83 -11.798 -2.768 -12.791 659 HB2 MET 83 HB2 MET 83 -8.966 -3.490 -12.030 660 HB3 MET 83 HB1 MET 83 -9.512 -2.814 -13.558 661 HG2 MET 83 HG2 MET 83 -10.183 -0.759 -12.369 662 HG3 MET 83 HG1 MET 83 -9.525 -1.437 -10.881 663 HE1 MET 83 HE1 MET 83 -8.081 -1.759 -14.545 664 HE2 MET 83 HE2 MET 83 -6.990 -0.374 -14.589 665 HE3 MET 83 HE3 MET 83 -8.732 -0.122 -14.478 666 H ASP 84 HN ASP 84 -10.427 -5.421 -10.908 667 HA ASP 84 HA ASP 84 -10.330 -7.300 -13.022 668 HB2 ASP 84 HB2 ASP 84 -10.761 -8.214 -10.216 669 HB3 ASP 84 HB1 ASP 84 -9.666 -8.842 -11.442 670 H GLY 85 HN GLY 85 -12.927 -6.089 -11.127 671 HA2 GLY 85 HA2 GLY 85 -15.196 -6.452 -11.420 672 HA3 GLY 85 HA1 GLY 85 -14.810 -7.677 -12.617 673 H ASP 86 HN ASP 86 -13.577 -7.653 -9.320 674 HA ASP 86 HA ASP 86 -14.663 -10.305 -8.904 675 HB2 ASP 86 HB2 ASP 86 -13.077 -8.600 -6.972 676 HB3 ASP 86 HB1 ASP 86 -13.342 -10.339 -6.881 677 H GLY 87 HN GLY 87 -15.891 -7.269 -8.589 678 HA2 GLY 87 HA2 GLY 87 -18.003 -6.745 -7.725 679 HA3 GLY 87 HA1 GLY 87 -17.932 -8.193 -6.733 680 H GLN 88 HN GLN 88 -15.277 -7.580 -5.690 681 HA GLN 88 HA GLN 88 -15.943 -5.285 -3.972 682 HB2 GLN 88 HB2 GLN 88 -14.272 -7.569 -2.994 683 HB3 GLN 88 HB1 GLN 88 -15.189 -6.397 -2.064 684 HG2 GLN 88 HG2 GLN 88 -16.144 -8.850 -3.482 685 HG3 GLN 88 HG1 GLN 88 -16.376 -8.365 -1.802 686 HE21 GLN 88 HE21 GLN 88 -17.126 -5.637 -2.589 687 HE22 GLN 88 HE22 GLN 88 -18.744 -5.751 -3.187 688 H VAL 89 HN VAL 89 -13.996 -4.350 -2.872 689 HA VAL 89 HA VAL 89 -11.903 -3.956 -4.853 690 HB VAL 89 HB VAL 89 -12.321 -2.580 -2.193 691 HG11 VAL 89 HG11 VAL 89 -10.516 -1.885 -4.508 692 HG12 VAL 89 HG12 VAL 89 -10.007 -2.467 -2.922 693 HG13 VAL 89 HG13 VAL 89 -10.777 -0.888 -3.076 694 HG21 VAL 89 HG21 VAL 89 -14.172 -2.162 -3.716 695 HG22 VAL 89 HG22 VAL 89 -13.040 -1.690 -4.985 696 HG23 VAL 89 HG23 VAL 89 -13.187 -0.711 -3.524 697 H ASP 90 HN ASP 90 -10.125 -5.152 -4.822 698 HA ASP 90 HA ASP 90 -9.387 -6.633 -2.445 699 HB2 ASP 90 HB2 ASP 90 -9.331 -7.716 -4.664 700 HB3 ASP 90 HB1 ASP 90 -8.086 -6.583 -5.175 701 H PHE 91 HN PHE 91 -7.320 -6.549 -1.462 702 HA PHE 91 HA PHE 91 -6.367 -4.110 -0.723 703 HB2 PHE 91 HB2 PHE 91 -5.752 -6.154 0.434 704 HB3 PHE 91 HB1 PHE 91 -4.810 -6.692 -0.952 705 HD1 PHE 91 HD1 PHE 91 -5.031 -3.799 1.397 706 HD2 PHE 91 HD2 PHE 91 -2.543 -6.366 -0.912 707 HE1 PHE 91 HE1 PHE 91 -3.037 -2.702 2.333 708 HE2 PHE 91 HE2 PHE 91 -0.544 -5.273 0.020 709 HZ PHE 91 HZ PHE 91 -0.789 -3.440 1.644 710 H GLU 92 HN GLU 92 -5.089 -6.097 -3.385 711 HA GLU 92 HA GLU 92 -2.919 -4.551 -4.115 712 HB2 GLU 92 HB2 GLU 92 -4.778 -6.090 -5.932 713 HB3 GLU 92 HB1 GLU 92 -3.172 -5.526 -6.368 714 HG2 GLU 92 HG2 GLU 92 -2.216 -6.939 -4.600 715 HG3 GLU 92 HG1 GLU 92 -3.833 -7.533 -4.224 716 H GLU 93 HN GLU 93 -6.219 -4.324 -5.448 717 HA GLU 93 HA GLU 93 -5.829 -2.246 -7.217 718 HB2 GLU 93 HB2 GLU 93 -8.295 -2.696 -5.532 719 HB3 GLU 93 HB1 GLU 93 -8.216 -1.826 -7.058 720 HG2 GLU 93 HG2 GLU 93 -7.537 -3.910 -8.178 721 HG3 GLU 93 HG1 GLU 93 -7.711 -4.763 -6.646 722 H PHE 94 HN PHE 94 -6.400 -2.070 -3.736 723 HA PHE 94 HA PHE 94 -6.535 0.825 -3.799 724 HB2 PHE 94 HB2 PHE 94 -7.994 -0.427 -2.280 725 HB3 PHE 94 HB1 PHE 94 -6.585 -1.097 -1.466 726 HD1 PHE 94 HD1 PHE 94 -7.801 2.293 -2.466 727 HD2 PHE 94 HD2 PHE 94 -6.114 -0.170 0.566 728 HE1 PHE 94 HE1 PHE 94 -7.783 4.210 -0.926 729 HE2 PHE 94 HE2 PHE 94 -6.093 1.743 2.113 730 HZ PHE 94 HZ PHE 94 -6.928 3.936 1.368 731 H VAL 95 HN VAL 95 -4.104 -1.570 -3.378 732 HA VAL 95 HA VAL 95 -2.367 0.026 -1.750 733 HB VAL 95 HB VAL 95 -2.408 -2.593 -2.144 734 HG11 VAL 95 HG11 VAL 95 -0.183 -1.794 -4.003 735 HG12 VAL 95 HG12 VAL 95 -1.773 -2.296 -4.568 736 HG13 VAL 95 HG13 VAL 95 -0.774 -3.416 -3.645 737 HG21 VAL 95 HG21 VAL 95 -0.128 -2.689 -1.250 738 HG22 VAL 95 HG22 VAL 95 -1.093 -1.441 -0.461 739 HG23 VAL 95 HG23 VAL 95 0.103 -0.994 -1.677 740 H THR 96 HN THR 96 -2.974 -0.257 -5.153 741 HA THR 96 HA THR 96 -0.493 1.053 -5.893 742 HB THR 96 HB THR 96 -2.868 0.346 -7.628 743 HG1 THR 96 HG1 THR 96 -1.972 -1.550 -6.870 744 HG21 THR 96 HG21 THR 96 -1.288 0.579 -9.487 745 HG22 THR 96 HG22 THR 96 -0.027 1.071 -8.357 746 HG23 THR 96 HG23 THR 96 -1.445 2.092 -8.594 747 H LEU 97 HN LEU 97 -3.931 1.834 -5.658 748 HA LEU 97 HA LEU 97 -3.955 4.306 -6.910 749 HB2 LEU 97 HB2 LEU 97 -5.528 3.353 -4.520 750 HB3 LEU 97 HB1 LEU 97 -5.872 4.838 -5.383 751 HG LEU 97 HG LEU 97 -5.951 2.093 -6.634 752 HD11 LEU 97 HD11 LEU 97 -7.676 2.331 -4.924 753 HD12 LEU 97 HD12 LEU 97 -8.376 2.310 -6.543 754 HD13 LEU 97 HD13 LEU 97 -8.213 3.836 -5.672 755 HD21 LEU 97 HD21 LEU 97 -5.486 3.909 -8.208 756 HD22 LEU 97 HD22 LEU 97 -6.915 4.771 -7.634 757 HD23 LEU 97 HD23 LEU 97 -7.090 3.224 -8.465 758 H LEU 98 HN LEU 98 -3.033 3.495 -3.593 759 HA LEU 98 HA LEU 98 -2.435 6.300 -3.040 760 HB2 LEU 98 HB2 LEU 98 -1.961 5.474 -0.735 761 HB3 LEU 98 HB1 LEU 98 -3.603 5.205 -1.284 762 HG LEU 98 HG LEU 98 -2.732 2.828 -1.914 763 HD11 LEU 98 HD11 LEU 98 -0.693 3.695 0.127 764 HD12 LEU 98 HD12 LEU 98 -0.378 3.231 -1.544 765 HD13 LEU 98 HD13 LEU 98 -0.970 2.034 -0.394 766 HD21 LEU 98 HD21 LEU 98 -3.154 3.685 0.945 767 HD22 LEU 98 HD22 LEU 98 -3.286 2.034 0.336 768 HD23 LEU 98 HD23 LEU 98 -4.413 3.273 -0.219 769 H GLY 99 HN GLY 99 -0.858 3.473 -4.082 770 HA2 GLY 99 HA2 GLY 99 1.714 3.960 -2.948 771 HA3 GLY 99 HA1 GLY 99 1.358 2.884 -4.291 772 HA PRO 100 HA PRO 100 3.821 6.776 -5.594 773 HB2 PRO 100 HB2 PRO 100 5.496 4.613 -6.763 774 HB3 PRO 100 HB1 PRO 100 5.987 6.104 -5.953 775 HG2 PRO 100 HG2 PRO 100 6.190 3.754 -4.715 776 HG3 PRO 100 HG1 PRO 100 5.685 5.209 -3.834 777 HD2 PRO 100 HD2 PRO 100 4.035 2.925 -4.828 778 HD3 PRO 100 HD1 PRO 100 3.887 3.852 -3.321 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 -7.969 29.432 7.154 2 H2 MET 1 HT2 MET 1 -8.212 29.988 8.733 3 H3 MET 1 HT3 MET 1 -9.209 28.777 8.100 4 HA MET 1 HA MET 1 -7.376 27.247 7.986 5 HB2 MET 1 HB2 MET 1 -5.794 29.504 9.235 6 HB3 MET 1 HB1 MET 1 -5.203 27.871 8.959 7 HG2 MET 1 HG2 MET 1 -5.399 28.170 6.567 8 HG3 MET 1 HG1 MET 1 -6.088 29.775 6.803 9 HE1 MET 1 HE1 MET 1 -3.119 28.101 8.798 10 HE2 MET 1 HE2 MET 1 -1.735 28.652 7.854 11 HE3 MET 1 HE3 MET 1 -2.898 27.531 7.145 12 HA PRO 2 HA PRO 2 -9.178 27.367 12.280 13 HB2 PRO 2 HB2 PRO 2 -11.021 25.422 11.979 14 HB3 PRO 2 HB1 PRO 2 -11.340 27.103 11.534 15 HG2 PRO 2 HG2 PRO 2 -10.634 24.781 9.792 16 HG3 PRO 2 HG1 PRO 2 -11.796 26.087 9.504 17 HD2 PRO 2 HD2 PRO 2 -9.267 26.004 8.429 18 HD3 PRO 2 HD1 PRO 2 -10.188 27.497 8.696 19 H PHE 3 HN PHE 3 -9.798 24.110 11.188 20 HA PHE 3 HA PHE 3 -7.549 23.179 12.843 21 HB2 PHE 3 HB2 PHE 3 -10.105 21.720 12.150 22 HB3 PHE 3 HB1 PHE 3 -8.832 21.133 13.215 23 HD1 PHE 3 HD1 PHE 3 -8.428 22.264 15.387 24 HD2 PHE 3 HD2 PHE 3 -11.762 23.219 12.918 25 HE1 PHE 3 HE1 PHE 3 -9.536 23.338 17.304 26 HE2 PHE 3 HE2 PHE 3 -12.875 24.293 14.830 27 HZ PHE 3 HZ PHE 3 -11.763 24.355 17.027 28 H HIS 4 HN HIS 4 -9.210 22.797 9.775 29 HA HIS 4 HA HIS 4 -7.367 20.731 8.893 30 HB2 HIS 4 HB2 HIS 4 -8.722 20.712 6.838 31 HB3 HIS 4 HB1 HIS 4 -9.726 20.542 8.275 32 HD1 HIS 4 HD1 HIS 4 -8.851 23.004 5.571 33 HD2 HIS 4 HD2 HIS 4 -11.582 22.561 8.672 34 HE1 HIS 4 HE1 HIS 4 -10.540 24.839 5.247 35 HE2 HIS 4 HE2 HIS 4 -12.195 24.538 7.122 36 HA PRO 5 HA PRO 5 -4.678 23.569 6.800 37 HB2 PRO 5 HB2 PRO 5 -3.412 21.913 5.121 38 HB3 PRO 5 HB1 PRO 5 -3.202 21.784 6.872 39 HG2 PRO 5 HG2 PRO 5 -4.900 20.140 5.041 40 HG3 PRO 5 HG1 PRO 5 -3.895 19.619 6.404 41 HD2 PRO 5 HD2 PRO 5 -6.623 19.989 6.531 42 HD3 PRO 5 HD1 PRO 5 -5.535 20.062 7.930 43 H VAL 6 HN VAL 6 -4.363 24.679 4.846 44 HA VAL 6 HA VAL 6 -6.616 24.924 3.177 45 HB VAL 6 HB VAL 6 -4.987 26.748 3.604 46 HG11 VAL 6 HG11 VAL 6 -2.930 25.451 3.431 47 HG12 VAL 6 HG12 VAL 6 -2.904 26.829 2.331 48 HG13 VAL 6 HG13 VAL 6 -3.218 25.210 1.708 49 HG21 VAL 6 HG21 VAL 6 -6.553 26.912 1.748 50 HG22 VAL 6 HG22 VAL 6 -5.414 26.072 0.696 51 HG23 VAL 6 HG23 VAL 6 -5.013 27.666 1.333 52 H THR 7 HN THR 7 -3.909 22.817 3.059 53 HA THR 7 HA THR 7 -4.509 22.096 0.269 54 HB THR 7 HB THR 7 -2.171 22.696 0.637 55 HG1 THR 7 HG1 THR 7 -1.711 21.154 -0.727 56 HG21 THR 7 HG21 THR 7 -2.141 20.420 2.624 57 HG22 THR 7 HG22 THR 7 -2.006 22.135 3.013 58 HG23 THR 7 HG23 THR 7 -0.734 21.338 2.087 59 H ALA 8 HN ALA 8 -4.966 19.978 -0.289 60 HA ALA 8 HA ALA 8 -4.855 17.843 1.618 61 HB1 ALA 8 HB1 ALA 8 -7.292 17.406 1.668 62 HB2 ALA 8 HB2 ALA 8 -7.556 18.954 0.866 63 HB3 ALA 8 HB3 ALA 8 -6.839 18.905 2.475 64 H ALA 9 HN ALA 9 -6.766 16.151 0.504 65 HA ALA 9 HA ALA 9 -5.393 15.298 -1.848 66 HB1 ALA 9 HB1 ALA 9 -6.338 13.725 -0.214 67 HB2 ALA 9 HB2 ALA 9 -6.937 13.431 -1.846 68 HB3 ALA 9 HB3 ALA 9 -7.960 14.250 -0.664 69 H LEU 10 HN LEU 10 -8.874 15.944 -1.398 70 HA LEU 10 HA LEU 10 -10.460 16.826 -2.762 71 HB2 LEU 10 HB2 LEU 10 -8.047 18.091 -4.053 72 HB3 LEU 10 HB1 LEU 10 -9.684 18.404 -4.588 73 HG LEU 10 HG LEU 10 -9.039 20.220 -3.203 74 HD11 LEU 10 HD11 LEU 10 -10.776 18.382 -1.564 75 HD12 LEU 10 HD12 LEU 10 -11.328 19.425 -2.873 76 HD13 LEU 10 HD13 LEU 10 -10.664 20.134 -1.401 77 HD21 LEU 10 HD21 LEU 10 -7.159 19.170 -2.072 78 HD22 LEU 10 HD22 LEU 10 -8.269 18.189 -1.113 79 HD23 LEU 10 HD23 LEU 10 -8.242 19.940 -0.912 80 H MET 11 HN MET 11 -11.481 16.530 -4.824 81 HA MET 11 HA MET 11 -10.117 14.673 -6.639 82 HB2 MET 11 HB2 MET 11 -11.653 13.509 -4.935 83 HB3 MET 11 HB1 MET 11 -12.982 14.236 -5.825 84 HG2 MET 11 HG2 MET 11 -12.280 13.090 -7.849 85 HG3 MET 11 HG1 MET 11 -10.910 12.389 -6.989 86 HE1 MET 11 HE1 MET 11 -12.179 11.651 -4.158 87 HE2 MET 11 HE2 MET 11 -11.109 10.602 -5.089 88 HE3 MET 11 HE3 MET 11 -12.635 9.974 -4.466 89 H TYR 12 HN TYR 12 -10.882 17.551 -6.698 90 HA TYR 12 HA TYR 12 -12.980 17.679 -8.697 91 HB2 TYR 12 HB2 TYR 12 -11.245 19.824 -7.462 92 HB3 TYR 12 HB1 TYR 12 -12.518 20.136 -8.636 93 HD1 TYR 12 HD2 TYR 12 -11.827 18.955 -5.207 94 HD2 TYR 12 HD1 TYR 12 -14.812 20.174 -7.983 95 HE1 TYR 12 HE2 TYR 12 -13.466 19.082 -3.378 96 HE2 TYR 12 HE1 TYR 12 -16.460 20.307 -6.161 97 HH TYR 12 HH TYR 12 -16.787 19.322 -3.899 98 H ARG 13 HN ARG 13 -9.755 16.970 -8.729 99 HA ARG 13 HA ARG 13 -8.136 16.874 -10.323 100 HB2 ARG 13 HB2 ARG 13 -9.961 15.656 -11.487 101 HB3 ARG 13 HB1 ARG 13 -10.467 17.168 -12.226 102 HG2 ARG 13 HG2 ARG 13 -8.293 17.336 -13.346 103 HG3 ARG 13 HG1 ARG 13 -7.814 15.798 -12.623 104 HD2 ARG 13 HD2 ARG 13 -10.138 16.226 -14.498 105 HD3 ARG 13 HD1 ARG 13 -8.588 15.503 -14.924 106 HE ARG 13 HE ARG 13 -9.339 13.877 -12.983 107 HH11 ARG 13 HH11 ARG 13 -11.218 15.200 -15.606 108 HH12 ARG 13 HH12 ARG 13 -12.295 13.846 -15.685 109 HH21 ARG 13 HH21 ARG 13 -10.752 12.094 -13.082 110 HH22 ARG 13 HH22 ARG 13 -12.031 12.082 -14.249 111 H GLY 14 HN GLY 14 -7.427 19.000 -9.520 112 HA2 GLY 14 HA2 GLY 14 -7.486 20.958 -11.709 113 HA3 GLY 14 HA1 GLY 14 -7.898 21.491 -10.086 114 H ILE 15 HN ILE 15 -6.106 20.390 -8.469 115 HA ILE 15 HA ILE 15 -3.522 21.337 -9.524 116 HB ILE 15 HB ILE 15 -4.408 22.761 -7.731 117 HG12 ILE 15 HG12 ILE 15 -2.436 22.661 -6.218 118 HG13 ILE 15 HG11 ILE 15 -2.004 21.107 -6.925 119 HG21 ILE 15 HG21 ILE 15 -4.610 21.891 -5.444 120 HG22 ILE 15 HG22 ILE 15 -4.291 20.264 -6.046 121 HG23 ILE 15 HG23 ILE 15 -5.748 21.120 -6.550 122 HD11 ILE 15 HD11 ILE 15 -2.149 23.728 -8.396 123 HD12 ILE 15 HD12 ILE 15 -1.694 22.173 -9.092 124 HD13 ILE 15 HD13 ILE 15 -0.679 22.918 -7.857 125 H TYR 16 HN TYR 16 -1.673 20.165 -9.113 126 HA TYR 16 HA TYR 16 -2.070 17.350 -8.609 127 HB2 TYR 16 HB2 TYR 16 0.495 18.852 -9.166 128 HB3 TYR 16 HB1 TYR 16 0.264 17.109 -9.254 129 HD1 TYR 16 HD1 TYR 16 -0.958 16.110 -11.118 130 HD2 TYR 16 HD2 TYR 16 -0.319 20.312 -10.915 131 HE1 TYR 16 HE1 TYR 16 -1.578 16.313 -13.490 132 HE2 TYR 16 HE2 TYR 16 -0.939 20.528 -13.285 133 HH TYR 16 HH TYR 16 -2.423 18.016 -15.031 134 H THR 17 HN THR 17 -1.431 16.200 -6.857 135 HA THR 17 HA THR 17 -0.910 17.649 -4.430 136 HB THR 17 HB THR 17 -0.961 15.467 -3.323 137 HG1 THR 17 HG1 THR 17 -0.891 13.612 -4.444 138 HG21 THR 17 HG21 THR 17 -3.247 14.806 -3.922 139 HG22 THR 17 HG22 THR 17 -3.137 15.770 -5.395 140 HG23 THR 17 HG23 THR 17 -3.090 16.561 -3.819 141 H VAL 18 HN VAL 18 0.977 15.941 -6.778 142 HA VAL 18 HA VAL 18 3.306 15.864 -5.009 143 HB VAL 18 HB VAL 18 4.409 14.630 -6.864 144 HG11 VAL 18 HG11 VAL 18 3.103 12.562 -6.607 145 HG12 VAL 18 HG12 VAL 18 1.775 13.501 -5.923 146 HG13 VAL 18 HG13 VAL 18 3.318 13.408 -5.075 147 HG21 VAL 18 HG21 VAL 18 1.686 14.777 -8.156 148 HG22 VAL 18 HG22 VAL 18 3.047 13.813 -8.728 149 HG23 VAL 18 HG23 VAL 18 3.152 15.573 -8.730 150 HA PRO 19 HA PRO 19 5.110 19.509 -6.726 151 HB2 PRO 19 HB2 PRO 19 7.764 18.918 -6.551 152 HB3 PRO 19 HB1 PRO 19 6.774 19.362 -5.158 153 HG2 PRO 19 HG2 PRO 19 7.624 16.650 -6.091 154 HG3 PRO 19 HG1 PRO 19 7.560 17.299 -4.442 155 HD2 PRO 19 HD2 PRO 19 5.649 15.661 -5.429 156 HD3 PRO 19 HD1 PRO 19 5.291 16.941 -4.253 157 H ASN 20 HN ASN 20 7.079 16.729 -7.821 158 HA ASN 20 HA ASN 20 6.456 17.328 -10.592 159 HB2 ASN 20 HB2 ASN 20 9.209 17.680 -9.419 160 HB3 ASN 20 HB1 ASN 20 8.973 17.328 -11.128 161 HD21 ASN 20 HD21 ASN 20 10.028 19.702 -9.682 162 HD22 ASN 20 HD22 ASN 20 9.107 21.035 -10.282 163 H LEU 21 HN LEU 21 5.509 15.152 -9.819 164 HA LEU 21 HA LEU 21 7.478 13.037 -10.398 165 HB2 LEU 21 HB2 LEU 21 5.178 13.043 -8.469 166 HB3 LEU 21 HB1 LEU 21 5.884 11.551 -9.062 167 HG LEU 21 HG LEU 21 8.127 12.645 -8.222 168 HD11 LEU 21 HD11 LEU 21 7.819 13.998 -6.230 169 HD12 LEU 21 HD12 LEU 21 6.072 13.983 -6.471 170 HD13 LEU 21 HD13 LEU 21 7.116 14.795 -7.638 171 HD21 LEU 21 HD21 LEU 21 7.196 10.554 -7.424 172 HD22 LEU 21 HD22 LEU 21 6.074 11.431 -6.383 173 HD23 LEU 21 HD23 LEU 21 7.808 11.516 -6.079 174 H LEU 22 HN LEU 22 5.528 14.638 -12.083 175 HA LEU 22 HA LEU 22 3.959 12.392 -13.155 176 HB2 LEU 22 HB2 LEU 22 2.502 14.029 -14.185 177 HB3 LEU 22 HB1 LEU 22 2.617 14.319 -12.461 178 HG LEU 22 HG LEU 22 4.354 15.861 -14.358 179 HD11 LEU 22 HD11 LEU 22 2.087 16.089 -15.221 180 HD12 LEU 22 HD12 LEU 22 2.629 17.591 -14.469 181 HD13 LEU 22 HD13 LEU 22 1.509 16.529 -13.614 182 HD21 LEU 22 HD21 LEU 22 3.160 16.463 -11.653 183 HD22 LEU 22 HD22 LEU 22 4.194 17.548 -12.582 184 HD23 LEU 22 HD23 LEU 22 4.836 16.021 -11.980 185 H SER 23 HN SER 23 6.791 13.930 -13.630 186 HA SER 23 HA SER 23 6.657 13.733 -16.562 187 HB2 SER 23 HB2 SER 23 7.333 15.941 -15.750 188 HB3 SER 23 HB1 SER 23 8.642 15.213 -14.817 189 HG SER 23 HG SER 23 8.378 15.040 -17.638 190 H GLU 24 HN GLU 24 9.036 13.216 -13.944 191 HA GLU 24 HA GLU 24 10.023 10.887 -15.456 192 HB2 GLU 24 HB2 GLU 24 11.667 12.713 -15.313 193 HB3 GLU 24 HB1 GLU 24 11.560 12.670 -13.559 194 HG2 GLU 24 HG2 GLU 24 13.548 11.525 -14.339 195 HG3 GLU 24 HG1 GLU 24 12.443 10.402 -13.548 196 H GLN 25 HN GLN 25 9.688 12.187 -12.157 197 HA GLN 25 HA GLN 25 9.263 11.192 -10.159 198 HB2 GLN 25 HB2 GLN 25 7.257 10.350 -11.240 199 HB3 GLN 25 HB1 GLN 25 8.156 9.007 -11.930 200 HG2 GLN 25 HG2 GLN 25 8.583 8.142 -9.681 201 HG3 GLN 25 HG1 GLN 25 7.660 9.481 -8.999 202 HE21 GLN 25 HE21 GLN 25 7.507 6.506 -10.786 203 HE22 GLN 25 HE22 GLN 25 5.801 6.268 -10.646 204 H ARG 26 HN ARG 26 11.238 10.866 -9.293 205 HA ARG 26 HA ARG 26 13.103 8.943 -10.163 206 HB2 ARG 26 HB2 ARG 26 14.335 9.456 -8.143 207 HB3 ARG 26 HB1 ARG 26 13.696 10.941 -8.828 208 HG2 ARG 26 HG2 ARG 26 12.167 9.522 -6.694 209 HG3 ARG 26 HG1 ARG 26 13.559 10.519 -6.269 210 HD2 ARG 26 HD2 ARG 26 11.144 11.433 -7.831 211 HD3 ARG 26 HD1 ARG 26 11.463 11.778 -6.132 212 HE ARG 26 HE ARG 26 13.644 12.648 -7.678 213 HH11 ARG 26 HH11 ARG 26 10.310 13.439 -7.048 214 HH12 ARG 26 HH12 ARG 26 10.512 15.126 -7.386 215 HH21 ARG 26 HH21 ARG 26 13.921 14.867 -8.123 216 HH22 ARG 26 HH22 ARG 26 12.565 15.937 -7.999 217 HA PRO 27 HA PRO 27 11.568 5.238 -8.296 218 HB2 PRO 27 HB2 PRO 27 13.842 3.813 -8.003 219 HB3 PRO 27 HB1 PRO 27 13.125 4.134 -9.587 220 HG2 PRO 27 HG2 PRO 27 15.410 5.509 -8.226 221 HG3 PRO 27 HG1 PRO 27 15.254 5.007 -9.919 222 HD2 PRO 27 HD2 PRO 27 14.849 7.565 -9.082 223 HD3 PRO 27 HD1 PRO 27 14.021 6.862 -10.485 224 H VAL 28 HN VAL 28 10.793 5.729 -6.276 225 HA VAL 28 HA VAL 28 12.727 5.548 -4.059 226 HB VAL 28 HB VAL 28 11.054 6.932 -2.746 227 HG11 VAL 28 HG11 VAL 28 12.542 8.225 -5.034 228 HG12 VAL 28 HG12 VAL 28 13.211 7.810 -3.456 229 HG13 VAL 28 HG13 VAL 28 11.970 9.056 -3.588 230 HG21 VAL 28 HG21 VAL 28 10.094 7.597 -5.529 231 HG22 VAL 28 HG22 VAL 28 9.626 8.442 -4.054 232 HG23 VAL 28 HG23 VAL 28 9.176 6.753 -4.283 233 H ASP 29 HN ASP 29 11.511 5.075 -1.932 234 HA ASP 29 HA ASP 29 9.143 3.478 -2.129 235 HB2 ASP 29 HB2 ASP 29 10.103 1.348 -1.543 236 HB3 ASP 29 HB1 ASP 29 10.899 1.946 -2.996 237 H ILE 30 HN ILE 30 8.166 3.189 -0.163 238 HA ILE 30 HA ILE 30 9.541 4.399 2.140 239 HB ILE 30 HB ILE 30 6.574 4.002 1.728 240 HG12 ILE 30 HG12 ILE 30 7.477 5.658 0.161 241 HG13 ILE 30 HG11 ILE 30 6.477 6.432 1.386 242 HG21 ILE 30 HG21 ILE 30 6.340 5.496 3.664 243 HG22 ILE 30 HG22 ILE 30 8.093 5.500 3.858 244 HG23 ILE 30 HG23 ILE 30 7.185 4.003 4.072 245 HD11 ILE 30 HD11 ILE 30 8.485 7.723 0.906 246 HD12 ILE 30 HD12 ILE 30 9.486 6.349 1.377 247 HD13 ILE 30 HD13 ILE 30 8.471 7.154 2.575 248 HA PRO 31 HA PRO 31 9.897 0.436 4.135 249 HB2 PRO 31 HB2 PRO 31 9.437 1.397 6.730 250 HB3 PRO 31 HB1 PRO 31 11.007 1.247 5.936 251 HG2 PRO 31 HG2 PRO 31 9.247 3.637 6.229 252 HG3 PRO 31 HG1 PRO 31 11.017 3.531 6.264 253 HD2 PRO 31 HD2 PRO 31 9.748 4.472 4.117 254 HD3 PRO 31 HD1 PRO 31 11.179 3.431 3.943 255 H GLU 32 HN GLU 32 8.609 -1.126 5.047 256 HA GLU 32 HA GLU 32 5.921 -1.182 4.534 257 HB2 GLU 32 HB2 GLU 32 7.354 -3.145 5.053 258 HB3 GLU 32 HB1 GLU 32 7.320 -2.689 6.749 259 HG2 GLU 32 HG2 GLU 32 4.897 -3.003 6.785 260 HG3 GLU 32 HG1 GLU 32 4.936 -3.467 5.084 261 H ASP 33 HN ASP 33 7.415 0.588 7.004 262 HA ASP 33 HA ASP 33 5.703 0.518 9.144 263 HB2 ASP 33 HB2 ASP 33 7.759 1.858 9.094 264 HB3 ASP 33 HB1 ASP 33 7.014 2.971 7.950 265 H GLU 34 HN GLU 34 5.230 2.142 6.049 266 HA GLU 34 HA GLU 34 2.718 3.312 6.933 267 HB2 GLU 34 HB2 GLU 34 2.633 4.369 4.759 268 HB3 GLU 34 HB1 GLU 34 4.241 4.577 5.436 269 HG2 GLU 34 HG2 GLU 34 5.216 3.158 3.918 270 HG3 GLU 34 HG1 GLU 34 3.717 2.284 3.609 271 H LEU 35 HN LEU 35 3.846 0.497 5.336 272 HA LEU 35 HA LEU 35 1.549 -0.125 3.801 273 HB2 LEU 35 HB2 LEU 35 3.802 -1.128 3.475 274 HB3 LEU 35 HB1 LEU 35 3.605 -2.001 4.979 275 HG LEU 35 HG LEU 35 3.195 -3.226 2.734 276 HD11 LEU 35 HD11 LEU 35 2.759 -4.188 4.930 277 HD12 LEU 35 HD12 LEU 35 1.528 -4.662 3.759 278 HD13 LEU 35 HD13 LEU 35 1.173 -3.419 4.956 279 HD21 LEU 35 HD21 LEU 35 0.927 -3.122 1.890 280 HD22 LEU 35 HD22 LEU 35 1.690 -1.535 1.782 281 HD23 LEU 35 HD23 LEU 35 0.522 -1.869 3.062 282 H GLU 36 HN GLU 36 2.419 -0.599 7.145 283 HA GLU 36 HA GLU 36 0.401 -2.511 7.756 284 HB2 GLU 36 HB2 GLU 36 2.415 -2.209 9.143 285 HB3 GLU 36 HB1 GLU 36 1.863 -0.601 9.591 286 HG2 GLU 36 HG2 GLU 36 1.412 -2.183 11.362 287 HG3 GLU 36 HG1 GLU 36 -0.096 -1.574 10.679 288 H GLU 37 HN GLU 37 0.462 0.947 7.499 289 HA GLU 37 HA GLU 37 -1.944 1.393 8.998 290 HB2 GLU 37 HB2 GLU 37 -0.452 3.182 7.073 291 HB3 GLU 37 HB1 GLU 37 -1.801 3.693 8.078 292 HG2 GLU 37 HG2 GLU 37 -0.510 3.199 10.082 293 HG3 GLU 37 HG1 GLU 37 0.839 2.657 9.086 294 H ILE 38 HN ILE 38 -1.179 0.585 5.720 295 HA ILE 38 HA ILE 38 -3.551 1.536 4.497 296 HB ILE 38 HB ILE 38 -1.819 -0.774 3.607 297 HG12 ILE 38 HG12 ILE 38 -1.660 2.168 2.910 298 HG13 ILE 38 HG11 ILE 38 -0.514 1.290 3.915 299 HG21 ILE 38 HG21 ILE 38 -3.999 -0.721 2.519 300 HG22 ILE 38 HG22 ILE 38 -2.722 -0.290 1.382 301 HG23 ILE 38 HG23 ILE 38 -3.748 0.967 2.073 302 HD11 ILE 38 HD11 ILE 38 0.376 1.605 1.695 303 HD12 ILE 38 HD12 ILE 38 -1.040 0.826 0.988 304 HD13 ILE 38 HD13 ILE 38 0.074 -0.107 1.987 305 H ARG 39 HN ARG 39 -2.610 -1.705 5.633 306 HA ARG 39 HA ARG 39 -5.026 -2.991 5.038 307 HB2 ARG 39 HB2 ARG 39 -3.055 -3.616 7.246 308 HB3 ARG 39 HB1 ARG 39 -4.301 -4.705 6.644 309 HG2 ARG 39 HG2 ARG 39 -3.023 -5.376 4.964 310 HG3 ARG 39 HG1 ARG 39 -2.645 -3.717 4.500 311 HD2 ARG 39 HD2 ARG 39 -0.601 -4.857 5.063 312 HD3 ARG 39 HD1 ARG 39 -0.944 -3.653 6.305 313 HE ARG 39 HE ARG 39 -2.050 -6.027 7.190 314 HH11 ARG 39 HH11 ARG 39 1.119 -4.823 6.384 315 HH12 ARG 39 HH12 ARG 39 1.940 -5.875 7.487 316 HH21 ARG 39 HH21 ARG 39 -0.976 -7.416 8.644 317 HH22 ARG 39 HH22 ARG 39 0.749 -7.348 8.772 318 H GLU 40 HN GLU 40 -3.913 -2.103 8.304 319 HA GLU 40 HA GLU 40 -6.118 -2.523 9.777 320 HB2 GLU 40 HB2 GLU 40 -3.911 -1.537 10.522 321 HB3 GLU 40 HB1 GLU 40 -4.537 0.033 10.037 322 HG2 GLU 40 HG2 GLU 40 -4.909 -0.082 12.335 323 HG3 GLU 40 HG1 GLU 40 -6.477 -0.427 11.609 324 H ALA 41 HN ALA 41 -5.750 0.073 7.456 325 HA ALA 41 HA ALA 41 -7.909 1.674 8.308 326 HB1 ALA 41 HB1 ALA 41 -7.729 2.770 6.163 327 HB2 ALA 41 HB2 ALA 41 -6.757 1.440 5.536 328 HB3 ALA 41 HB3 ALA 41 -6.124 2.465 6.823 329 H PHE 42 HN PHE 42 -7.945 0.019 5.152 330 HA PHE 42 HA PHE 42 -10.812 -0.116 5.257 331 HB2 PHE 42 HB2 PHE 42 -8.734 -0.790 3.211 332 HB3 PHE 42 HB1 PHE 42 -10.394 -1.324 2.995 333 HD1 PHE 42 HD2 PHE 42 -8.366 1.725 3.628 334 HD2 PHE 42 HD1 PHE 42 -11.957 0.086 2.038 335 HE1 PHE 42 HE2 PHE 42 -8.956 3.927 2.701 336 HE2 PHE 42 HE1 PHE 42 -12.554 2.286 1.107 337 HZ PHE 42 HZ PHE 42 -11.052 4.208 1.440 338 H LYS 43 HN LYS 43 -8.227 -2.276 5.968 339 HA LYS 43 HA LYS 43 -9.533 -4.720 5.491 340 HB2 LYS 43 HB2 LYS 43 -7.017 -4.107 6.169 341 HB3 LYS 43 HB1 LYS 43 -7.621 -4.549 7.762 342 HG2 LYS 43 HG2 LYS 43 -6.587 -6.452 6.706 343 HG3 LYS 43 HG1 LYS 43 -8.321 -6.726 6.870 344 HD2 LYS 43 HD2 LYS 43 -7.529 -7.456 4.682 345 HD3 LYS 43 HD1 LYS 43 -8.643 -6.098 4.525 346 HE2 LYS 43 HE2 LYS 43 -6.730 -5.831 3.040 347 HE3 LYS 43 HE1 LYS 43 -6.748 -4.569 4.273 348 HZ1 LYS 43 HZ1 LYS 43 -4.530 -5.465 3.957 349 HZ2 LYS 43 HZ2 LYS 43 -5.072 -7.024 4.324 350 HZ3 LYS 43 HZ3 LYS 43 -5.089 -5.822 5.513 351 H VAL 44 HN VAL 44 -9.572 -2.532 8.279 352 HA VAL 44 HA VAL 44 -11.032 -4.389 9.915 353 HB VAL 44 HB VAL 44 -11.312 -2.587 11.509 354 HG11 VAL 44 HG11 VAL 44 -9.214 -3.740 11.579 355 HG12 VAL 44 HG12 VAL 44 -8.921 -2.026 11.881 356 HG13 VAL 44 HG13 VAL 44 -8.558 -2.719 10.301 357 HG21 VAL 44 HG21 VAL 44 -10.103 -0.801 9.405 358 HG22 VAL 44 HG22 VAL 44 -10.465 -0.335 11.066 359 HG23 VAL 44 HG23 VAL 44 -11.774 -0.763 9.964 360 H PHE 45 HN PHE 45 -11.877 -1.744 7.734 361 HA PHE 45 HA PHE 45 -14.544 -1.400 8.511 362 HB2 PHE 45 HB2 PHE 45 -13.193 -1.075 5.830 363 HB3 PHE 45 HB1 PHE 45 -14.902 -0.726 6.064 364 HD1 PHE 45 HD2 PHE 45 -15.079 0.634 8.565 365 HD2 PHE 45 HD1 PHE 45 -12.031 0.893 5.607 366 HE1 PHE 45 HE2 PHE 45 -14.512 2.896 9.352 367 HE2 PHE 45 HE1 PHE 45 -11.458 3.154 6.390 368 HZ PHE 45 HZ PHE 45 -12.700 4.158 8.264 369 H ASP 46 HN ASP 46 -13.016 -4.058 7.042 370 HA ASP 46 HA ASP 46 -15.248 -5.185 5.687 371 HB2 ASP 46 HB2 ASP 46 -12.793 -5.777 5.351 372 HB3 ASP 46 HB1 ASP 46 -12.903 -6.699 6.847 373 H ARG 47 HN ARG 47 -17.027 -5.210 6.997 374 HA ARG 47 HA ARG 47 -17.169 -5.872 9.681 375 HB2 ARG 47 HB2 ARG 47 -19.306 -6.372 7.611 376 HB3 ARG 47 HB1 ARG 47 -19.547 -6.170 9.342 377 HG2 ARG 47 HG2 ARG 47 -18.592 -3.857 9.101 378 HG3 ARG 47 HG1 ARG 47 -18.661 -4.097 7.354 379 HD2 ARG 47 HD2 ARG 47 -20.628 -2.895 8.190 380 HD3 ARG 47 HD1 ARG 47 -21.058 -4.444 7.466 381 HE ARG 47 HE ARG 47 -20.698 -4.776 10.235 382 HH11 ARG 47 HH11 ARG 47 -22.899 -3.326 7.957 383 HH12 ARG 47 HH12 ARG 47 -24.276 -3.470 8.999 384 HH21 ARG 47 HH21 ARG 47 -22.502 -4.974 11.613 385 HH22 ARG 47 HH22 ARG 47 -24.050 -4.409 11.077 386 H ASP 48 HN ASP 48 -17.709 -8.041 6.893 387 HA ASP 48 HA ASP 48 -18.037 -10.322 8.618 388 HB2 ASP 48 HB2 ASP 48 -17.978 -11.577 6.391 389 HB3 ASP 48 HB1 ASP 48 -19.290 -10.424 6.622 390 H GLY 49 HN GLY 49 -15.411 -8.722 7.115 391 HA2 GLY 49 HA2 GLY 49 -13.156 -9.117 7.121 392 HA3 GLY 49 HA1 GLY 49 -13.457 -10.217 8.455 393 H ASN 50 HN ASN 50 -14.844 -10.675 5.251 394 HA ASN 50 HA ASN 50 -13.675 -13.289 5.100 395 HB2 ASN 50 HB2 ASN 50 -14.795 -13.378 2.851 396 HB3 ASN 50 HB1 ASN 50 -15.878 -13.046 4.195 397 HD21 ASN 50 HD21 ASN 50 -17.389 -12.142 2.786 398 HD22 ASN 50 HD22 ASN 50 -17.173 -10.568 2.110 399 H GLY 51 HN GLY 51 -12.384 -10.342 4.569 400 HA2 GLY 51 HA2 GLY 51 -10.142 -10.069 3.822 401 HA3 GLY 51 HA1 GLY 51 -10.350 -11.465 2.775 402 H PHE 52 HN PHE 52 -13.078 -9.680 2.455 403 HA PHE 52 HA PHE 52 -11.985 -7.967 0.331 404 HB2 PHE 52 HB2 PHE 52 -14.584 -9.421 -0.060 405 HB3 PHE 52 HB1 PHE 52 -13.526 -8.704 -1.269 406 HD1 PHE 52 HD1 PHE 52 -11.377 -9.846 -1.844 407 HD2 PHE 52 HD2 PHE 52 -14.347 -11.659 0.606 408 HE1 PHE 52 HE1 PHE 52 -10.356 -12.049 -2.243 409 HE2 PHE 52 HE2 PHE 52 -13.333 -13.865 0.215 410 HZ PHE 52 HZ PHE 52 -11.333 -14.063 -1.214 411 H ILE 53 HN ILE 53 -13.328 -6.149 -0.214 412 HA ILE 53 HA ILE 53 -15.217 -5.441 1.936 413 HB ILE 53 HB ILE 53 -13.428 -3.602 0.342 414 HG12 ILE 53 HG12 ILE 53 -13.355 -3.914 3.318 415 HG13 ILE 53 HG11 ILE 53 -12.560 -5.123 2.315 416 HG21 ILE 53 HG21 ILE 53 -15.408 -2.974 2.530 417 HG22 ILE 53 HG22 ILE 53 -15.557 -2.535 0.828 418 HG23 ILE 53 HG23 ILE 53 -14.276 -1.826 1.812 419 HD11 ILE 53 HD11 ILE 53 -11.254 -3.309 1.258 420 HD12 ILE 53 HD12 ILE 53 -10.960 -3.481 2.987 421 HD13 ILE 53 HD13 ILE 53 -11.985 -2.175 2.392 422 H SER 54 HN SER 54 -17.166 -5.882 1.064 423 HA SER 54 HA SER 54 -17.850 -5.513 -1.654 424 HB2 SER 54 HB2 SER 54 -19.052 -7.065 -0.149 425 HB3 SER 54 HB1 SER 54 -19.686 -5.687 0.748 426 HG SER 54 HG SER 54 -21.029 -5.237 -0.851 427 H LYS 55 HN LYS 55 -20.048 -4.125 -2.013 428 HA LYS 55 HA LYS 55 -19.214 -1.443 -2.016 429 HB2 LYS 55 HB2 LYS 55 -22.001 -2.551 -2.390 430 HB3 LYS 55 HB1 LYS 55 -21.474 -0.935 -2.835 431 HG2 LYS 55 HG2 LYS 55 -21.332 -1.956 -4.858 432 HG3 LYS 55 HG1 LYS 55 -19.704 -2.272 -4.259 433 HD2 LYS 55 HD2 LYS 55 -20.524 -4.312 -5.165 434 HD3 LYS 55 HD1 LYS 55 -20.553 -4.480 -3.409 435 HE2 LYS 55 HE2 LYS 55 -22.929 -4.030 -3.369 436 HE3 LYS 55 HE1 LYS 55 -22.928 -3.720 -5.106 437 HZ1 LYS 55 HZ1 LYS 55 -23.736 -5.940 -4.590 438 HZ2 LYS 55 HZ2 LYS 55 -22.278 -6.318 -3.821 439 HZ3 LYS 55 HZ3 LYS 55 -22.301 -6.018 -5.484 440 H GLN 56 HN GLN 56 -21.629 -3.127 -0.031 441 HA GLN 56 HA GLN 56 -22.534 -0.919 1.421 442 HB2 GLN 56 HB2 GLN 56 -22.326 -3.688 2.580 443 HB3 GLN 56 HB1 GLN 56 -23.537 -2.456 2.908 444 HG2 GLN 56 HG2 GLN 56 -23.218 -4.085 0.402 445 HG3 GLN 56 HG1 GLN 56 -24.535 -4.154 1.572 446 HE21 GLN 56 HE21 GLN 56 -26.074 -2.504 1.601 447 HE22 GLN 56 HE22 GLN 56 -26.274 -1.419 0.271 448 H GLU 57 HN GLU 57 -19.818 -3.103 2.043 449 HA GLU 57 HA GLU 57 -19.208 -2.065 4.612 450 HB2 GLU 57 HB2 GLU 57 -17.414 -3.531 2.672 451 HB3 GLU 57 HB1 GLU 57 -17.091 -3.281 4.383 452 HG2 GLU 57 HG2 GLU 57 -19.077 -4.596 4.945 453 HG3 GLU 57 HG1 GLU 57 -19.378 -4.861 3.229 454 H LEU 58 HN LEU 58 -17.780 -1.464 1.398 455 HA LEU 58 HA LEU 58 -15.865 0.401 2.285 456 HB2 LEU 58 HB2 LEU 58 -15.961 -0.761 0.027 457 HB3 LEU 58 HB1 LEU 58 -17.176 0.421 -0.428 458 HG LEU 58 HG LEU 58 -15.000 1.891 0.595 459 HD11 LEU 58 HD11 LEU 58 -13.172 1.173 -0.869 460 HD12 LEU 58 HD12 LEU 58 -14.123 -0.227 -1.361 461 HD13 LEU 58 HD13 LEU 58 -13.593 -0.067 0.313 462 HD21 LEU 58 HD21 LEU 58 -16.580 2.577 -1.160 463 HD22 LEU 58 HD22 LEU 58 -15.832 1.425 -2.265 464 HD23 LEU 58 HD23 LEU 58 -14.900 2.789 -1.651 465 H GLY 59 HN GLY 59 -19.252 0.604 1.896 466 HA2 GLY 59 HA2 GLY 59 -19.521 3.383 1.380 467 HA3 GLY 59 HA1 GLY 59 -20.757 2.337 2.069 468 H THR 60 HN THR 60 -18.820 1.554 4.221 469 HA THR 60 HA THR 60 -19.455 3.739 6.027 470 HB THR 60 HB THR 60 -18.120 1.091 6.636 471 HG1 THR 60 HG1 THR 60 -20.481 0.949 7.573 472 HG21 THR 60 HG21 THR 60 -19.446 3.118 8.443 473 HG22 THR 60 HG22 THR 60 -17.716 2.787 8.346 474 HG23 THR 60 HG23 THR 60 -18.818 1.549 8.948 475 H ALA 61 HN ALA 61 -16.810 2.508 4.235 476 HA ALA 61 HA ALA 61 -14.697 3.574 5.831 477 HB1 ALA 61 HB1 ALA 61 -14.707 2.815 2.913 478 HB2 ALA 61 HB2 ALA 61 -14.338 1.736 4.258 479 HB3 ALA 61 HB3 ALA 61 -13.278 3.100 3.906 480 H MET 62 HN MET 62 -16.540 4.741 3.055 481 HA MET 62 HA MET 62 -14.982 7.072 2.618 482 HB2 MET 62 HB2 MET 62 -17.818 6.409 1.820 483 HB3 MET 62 HB1 MET 62 -16.934 7.819 1.255 484 HG2 MET 62 HG2 MET 62 -16.072 4.971 0.810 485 HG3 MET 62 HG1 MET 62 -16.961 5.948 -0.356 486 HE1 MET 62 HE1 MET 62 -15.678 8.816 -0.032 487 HE2 MET 62 HE2 MET 62 -15.990 8.048 -1.589 488 HE3 MET 62 HE3 MET 62 -14.406 8.747 -1.253 489 H ARG 63 HN ARG 63 -18.085 6.545 4.289 490 HA ARG 63 HA ARG 63 -18.638 9.172 4.981 491 HB2 ARG 63 HB2 ARG 63 -20.021 8.275 6.776 492 HB3 ARG 63 HB1 ARG 63 -20.215 7.318 5.314 493 HG2 ARG 63 HG2 ARG 63 -18.820 5.581 6.194 494 HG3 ARG 63 HG1 ARG 63 -18.417 6.561 7.605 495 HD2 ARG 63 HD2 ARG 63 -20.098 4.890 8.160 496 HD3 ARG 63 HD1 ARG 63 -20.758 6.518 8.304 497 HE ARG 63 HE ARG 63 -21.500 5.868 5.826 498 HH11 ARG 63 HH11 ARG 63 -21.687 4.070 8.805 499 HH12 ARG 63 HH12 ARG 63 -23.123 3.216 8.349 500 HH21 ARG 63 HH21 ARG 63 -23.390 4.748 5.219 501 HH22 ARG 63 HH22 ARG 63 -24.090 3.599 6.309 502 H SER 64 HN SER 64 -16.399 6.910 6.436 503 HA SER 64 HA SER 64 -15.929 8.171 8.871 504 HB2 SER 64 HB2 SER 64 -15.029 5.953 8.319 505 HB3 SER 64 HB1 SER 64 -13.946 6.680 7.133 506 HG SER 64 HG SER 64 -13.237 7.983 9.084 507 H LEU 65 HN LEU 65 -14.509 8.776 5.687 508 HA LEU 65 HA LEU 65 -12.731 10.814 6.641 509 HB2 LEU 65 HB2 LEU 65 -13.610 10.477 3.786 510 HB3 LEU 65 HB1 LEU 65 -12.091 11.111 4.390 511 HG LEU 65 HG LEU 65 -12.967 8.224 4.531 512 HD11 LEU 65 HD11 LEU 65 -12.440 8.932 2.262 513 HD12 LEU 65 HD12 LEU 65 -11.204 7.842 2.886 514 HD13 LEU 65 HD13 LEU 65 -10.894 9.576 2.811 515 HD21 LEU 65 HD21 LEU 65 -11.552 8.827 6.418 516 HD22 LEU 65 HD22 LEU 65 -10.366 9.535 5.321 517 HD23 LEU 65 HD23 LEU 65 -10.673 7.799 5.286 518 H GLY 66 HN GLY 66 -16.034 10.685 5.773 519 HA2 GLY 66 HA2 GLY 66 -17.350 12.638 6.511 520 HA3 GLY 66 HA1 GLY 66 -16.136 13.639 5.727 521 H TYR 67 HN TYR 67 -17.175 10.698 4.219 522 HA TYR 67 HA TYR 67 -18.921 12.205 2.395 523 HB2 TYR 67 HB2 TYR 67 -16.822 10.194 1.551 524 HB3 TYR 67 HB1 TYR 67 -17.959 11.004 0.479 525 HD1 TYR 67 HD2 TYR 67 -17.781 13.505 0.192 526 HD2 TYR 67 HD1 TYR 67 -14.789 11.215 2.170 527 HE1 TYR 67 HE2 TYR 67 -16.176 15.342 -0.122 528 HE2 TYR 67 HE1 TYR 67 -13.176 13.046 1.860 529 HH TYR 67 HH TYR 67 -14.098 16.166 0.892 530 H MET 68 HN MET 68 -20.833 11.344 3.041 531 HA MET 68 HA MET 68 -21.091 8.482 3.456 532 HB2 MET 68 HB2 MET 68 -23.138 10.693 3.678 533 HB3 MET 68 HB1 MET 68 -23.389 9.019 4.154 534 HG2 MET 68 HG2 MET 68 -21.636 9.231 5.838 535 HG3 MET 68 HG1 MET 68 -21.381 10.909 5.361 536 HE1 MET 68 HE1 MET 68 -21.724 11.685 7.930 537 HE2 MET 68 HE2 MET 68 -21.908 9.978 8.334 538 HE3 MET 68 HE3 MET 68 -23.095 11.152 8.902 539 HA PRO 69 HA PRO 69 -22.513 8.224 -0.837 540 HB2 PRO 69 HB2 PRO 69 -21.948 5.646 -1.229 541 HB3 PRO 69 HB1 PRO 69 -20.665 6.857 -1.141 542 HG2 PRO 69 HG2 PRO 69 -21.580 4.910 0.932 543 HG3 PRO 69 HG1 PRO 69 -19.932 5.422 0.523 544 HD2 PRO 69 HD2 PRO 69 -21.431 6.406 2.641 545 HD3 PRO 69 HD1 PRO 69 -20.037 7.222 1.911 546 H ASN 70 HN ASN 70 -24.413 7.508 -1.759 547 HA ASN 70 HA ASN 70 -26.401 6.444 0.055 548 HB2 ASN 70 HB2 ASN 70 -26.638 7.252 -2.852 549 HB3 ASN 70 HB1 ASN 70 -27.983 6.830 -1.797 550 HD21 ASN 70 HD21 ASN 70 -25.597 9.210 -2.591 551 HD22 ASN 70 HD22 ASN 70 -26.264 10.492 -1.647 552 H GLU 71 HN GLU 71 -27.999 4.795 -1.067 553 HA GLU 71 HA GLU 71 -26.699 2.340 -1.198 554 HB2 GLU 71 HB2 GLU 71 -28.835 1.456 -2.097 555 HB3 GLU 71 HB1 GLU 71 -29.054 2.475 -0.681 556 HG2 GLU 71 HG2 GLU 71 -30.085 4.134 -1.857 557 HG3 GLU 71 HG1 GLU 71 -29.262 3.734 -3.364 558 H VAL 72 HN VAL 72 -27.515 4.596 -3.757 559 HA VAL 72 HA VAL 72 -26.751 2.748 -5.843 560 HB VAL 72 HB VAL 72 -27.068 5.089 -7.119 561 HG11 VAL 72 HG11 VAL 72 -29.370 4.380 -7.579 562 HG12 VAL 72 HG12 VAL 72 -29.285 3.261 -6.220 563 HG13 VAL 72 HG13 VAL 72 -28.246 3.022 -7.625 564 HG21 VAL 72 HG21 VAL 72 -28.926 6.325 -6.126 565 HG22 VAL 72 HG22 VAL 72 -27.500 6.353 -5.086 566 HG23 VAL 72 HG23 VAL 72 -28.851 5.284 -4.705 567 H GLU 73 HN GLU 73 -25.359 5.335 -4.007 568 HA GLU 73 HA GLU 73 -23.300 6.011 -5.864 569 HB2 GLU 73 HB2 GLU 73 -23.494 6.486 -2.887 570 HB3 GLU 73 HB1 GLU 73 -22.279 7.195 -3.939 571 HG2 GLU 73 HG2 GLU 73 -25.249 7.649 -4.081 572 HG3 GLU 73 HG1 GLU 73 -24.038 8.784 -3.485 573 H LEU 74 HN LEU 74 -23.301 4.101 -2.852 574 HA LEU 74 HA LEU 74 -20.628 3.371 -2.855 575 HB2 LEU 74 HB2 LEU 74 -21.407 1.356 -1.546 576 HB3 LEU 74 HB1 LEU 74 -21.857 2.925 -0.911 577 HG LEU 74 HG LEU 74 -24.100 2.538 -2.147 578 HD11 LEU 74 HD11 LEU 74 -24.726 0.177 -2.339 579 HD12 LEU 74 HD12 LEU 74 -23.062 -0.283 -1.980 580 HD13 LEU 74 HD13 LEU 74 -23.431 0.613 -3.453 581 HD21 LEU 74 HD21 LEU 74 -23.845 2.603 0.277 582 HD22 LEU 74 HD22 LEU 74 -23.362 0.907 0.279 583 HD23 LEU 74 HD23 LEU 74 -24.996 1.359 -0.208 584 H GLU 75 HN GLU 75 -23.011 2.469 -5.090 585 HA GLU 75 HA GLU 75 -21.778 -0.061 -5.793 586 HB2 GLU 75 HB2 GLU 75 -24.052 1.473 -7.058 587 HB3 GLU 75 HB1 GLU 75 -23.503 -0.112 -7.587 588 HG2 GLU 75 HG2 GLU 75 -24.060 -1.022 -5.374 589 HG3 GLU 75 HG1 GLU 75 -24.665 0.563 -4.894 590 H VAL 76 HN VAL 76 -22.010 3.221 -7.097 591 HA VAL 76 HA VAL 76 -20.495 2.516 -9.458 592 HB VAL 76 HB VAL 76 -20.645 4.887 -10.055 593 HG11 VAL 76 HG11 VAL 76 -23.261 3.716 -9.119 594 HG12 VAL 76 HG12 VAL 76 -22.471 3.401 -10.665 595 HG13 VAL 76 HG13 VAL 76 -23.080 5.016 -10.298 596 HG21 VAL 76 HG21 VAL 76 -21.974 6.420 -8.643 597 HG22 VAL 76 HG22 VAL 76 -20.474 5.903 -7.876 598 HG23 VAL 76 HG23 VAL 76 -22.008 5.187 -7.382 599 H ILE 77 HN ILE 77 -19.864 3.915 -6.321 600 HA ILE 77 HA ILE 77 -17.333 5.047 -6.962 601 HB ILE 77 HB ILE 77 -18.781 4.427 -4.425 602 HG12 ILE 77 HG12 ILE 77 -18.013 6.870 -4.038 603 HG13 ILE 77 HG11 ILE 77 -17.583 6.848 -5.744 604 HG21 ILE 77 HG21 ILE 77 -16.802 5.192 -3.113 605 HG22 ILE 77 HG22 ILE 77 -15.829 5.007 -4.573 606 HG23 ILE 77 HG23 ILE 77 -16.613 3.602 -3.851 607 HD11 ILE 77 HD11 ILE 77 -20.315 6.418 -4.565 608 HD12 ILE 77 HD12 ILE 77 -19.919 6.251 -6.275 609 HD13 ILE 77 HD13 ILE 77 -19.755 7.817 -5.481 610 H ILE 78 HN ILE 78 -18.426 1.867 -6.041 611 HA ILE 78 HA ILE 78 -15.912 0.810 -5.279 612 HB ILE 78 HB ILE 78 -18.549 -0.386 -6.011 613 HG12 ILE 78 HG12 ILE 78 -18.048 0.485 -3.726 614 HG13 ILE 78 HG11 ILE 78 -18.468 -1.222 -3.749 615 HG21 ILE 78 HG21 ILE 78 -17.041 -1.892 -7.115 616 HG22 ILE 78 HG22 ILE 78 -17.601 -2.654 -5.627 617 HG23 ILE 78 HG23 ILE 78 -15.988 -1.946 -5.701 618 HD11 ILE 78 HD11 ILE 78 -16.632 -0.789 -2.229 619 HD12 ILE 78 HD12 ILE 78 -15.687 -0.091 -3.545 620 HD13 ILE 78 HD13 ILE 78 -16.104 -1.804 -3.571 621 H GLN 79 HN GLN 79 -17.764 0.412 -8.339 622 HA GLN 79 HA GLN 79 -15.861 -1.078 -9.687 623 HB2 GLN 79 HB2 GLN 79 -16.994 -0.357 -11.740 624 HB3 GLN 79 HB1 GLN 79 -18.138 -0.824 -10.491 625 HG2 GLN 79 HG2 GLN 79 -18.500 1.544 -9.959 626 HG3 GLN 79 HG1 GLN 79 -17.386 1.989 -11.252 627 HE21 GLN 79 HE21 GLN 79 -18.966 3.126 -12.363 628 HE22 GLN 79 HE22 GLN 79 -20.244 2.339 -13.215 629 H ARG 80 HN ARG 80 -15.478 2.082 -8.619 630 HA ARG 80 HA ARG 80 -14.078 3.217 -10.814 631 HB2 ARG 80 HB2 ARG 80 -13.986 3.846 -7.858 632 HB3 ARG 80 HB1 ARG 80 -13.186 4.806 -9.095 633 HG2 ARG 80 HG2 ARG 80 -16.129 4.281 -9.219 634 HG3 ARG 80 HG1 ARG 80 -15.472 5.576 -8.218 635 HD2 ARG 80 HD2 ARG 80 -16.101 6.484 -10.352 636 HD3 ARG 80 HD1 ARG 80 -14.342 6.491 -10.224 637 HE ARG 80 HE ARG 80 -15.200 4.126 -11.499 638 HH11 ARG 80 HH11 ARG 80 -14.902 7.552 -12.054 639 HH12 ARG 80 HH12 ARG 80 -14.709 7.389 -13.767 640 HH21 ARG 80 HH21 ARG 80 -14.942 3.901 -13.755 641 HH22 ARG 80 HH22 ARG 80 -14.729 5.314 -14.733 642 H LEU 81 HN LEU 81 -13.118 1.331 -8.003 643 HA LEU 81 HA LEU 81 -10.389 1.167 -9.099 644 HB2 LEU 81 HB2 LEU 81 -9.916 0.347 -6.659 645 HB3 LEU 81 HB1 LEU 81 -10.026 2.059 -7.020 646 HG LEU 81 HG LEU 81 -12.470 0.606 -6.090 647 HD11 LEU 81 HD11 LEU 81 -11.861 1.120 -3.767 648 HD12 LEU 81 HD12 LEU 81 -10.262 1.628 -4.311 649 HD13 LEU 81 HD13 LEU 81 -10.762 -0.052 -4.497 650 HD21 LEU 81 HD21 LEU 81 -13.005 2.794 -5.157 651 HD22 LEU 81 HD22 LEU 81 -12.651 2.918 -6.880 652 HD23 LEU 81 HD23 LEU 81 -11.445 3.416 -5.694 653 H ASP 82 HN ASP 82 -13.203 -0.583 -8.143 654 HA ASP 82 HA ASP 82 -12.017 -3.160 -7.925 655 HB2 ASP 82 HB2 ASP 82 -14.183 -2.629 -6.898 656 HB3 ASP 82 HB1 ASP 82 -14.886 -2.379 -8.493 657 H MET 83 HN MET 83 -10.727 -3.458 -9.740 658 HA MET 83 HA MET 83 -11.768 -3.219 -12.399 659 HB2 MET 83 HB2 MET 83 -9.262 -4.663 -11.548 660 HB3 MET 83 HB1 MET 83 -9.624 -3.990 -13.131 661 HG2 MET 83 HG2 MET 83 -9.083 -2.480 -10.588 662 HG3 MET 83 HG1 MET 83 -8.067 -2.558 -12.026 663 HE1 MET 83 HE1 MET 83 -10.273 -2.363 -14.321 664 HE2 MET 83 HE2 MET 83 -8.769 -1.444 -14.386 665 HE3 MET 83 HE3 MET 83 -10.312 -0.628 -14.634 666 H ASP 84 HN ASP 84 -11.375 -5.826 -10.088 667 HA ASP 84 HA ASP 84 -11.761 -7.962 -11.903 668 HB2 ASP 84 HB2 ASP 84 -12.225 -7.811 -8.921 669 HB3 ASP 84 HB1 ASP 84 -12.270 -9.301 -9.860 670 H GLY 85 HN GLY 85 -13.931 -5.726 -10.457 671 HA2 GLY 85 HA2 GLY 85 -16.202 -5.453 -10.622 672 HA3 GLY 85 HA1 GLY 85 -16.109 -6.481 -12.043 673 H ASP 86 HN ASP 86 -15.067 -7.696 -8.959 674 HA ASP 86 HA ASP 86 -17.176 -9.691 -9.059 675 HB2 ASP 86 HB2 ASP 86 -15.929 -10.837 -7.312 676 HB3 ASP 86 HB1 ASP 86 -14.837 -10.370 -8.613 677 H GLY 87 HN GLY 87 -17.216 -6.681 -8.033 678 HA2 GLY 87 HA2 GLY 87 -18.848 -5.660 -6.716 679 HA3 GLY 87 HA1 GLY 87 -19.236 -7.227 -6.022 680 H GLN 88 HN GLN 88 -16.105 -7.345 -5.666 681 HA GLN 88 HA GLN 88 -15.982 -5.651 -3.267 682 HB2 GLN 88 HB2 GLN 88 -15.044 -8.523 -3.405 683 HB3 GLN 88 HB1 GLN 88 -14.949 -7.461 -2.006 684 HG2 GLN 88 HG2 GLN 88 -17.394 -7.361 -1.925 685 HG3 GLN 88 HG1 GLN 88 -17.477 -8.446 -3.312 686 HE21 GLN 88 HE21 GLN 88 -16.901 -10.611 -3.056 687 HE22 GLN 88 HE22 GLN 88 -16.816 -11.355 -1.500 688 H VAL 89 HN VAL 89 -13.993 -4.778 -2.792 689 HA VAL 89 HA VAL 89 -12.016 -4.948 -4.937 690 HB VAL 89 HB VAL 89 -12.109 -3.038 -2.598 691 HG11 VAL 89 HG11 VAL 89 -10.499 -2.968 -5.149 692 HG12 VAL 89 HG12 VAL 89 -9.874 -3.323 -3.538 693 HG13 VAL 89 HG13 VAL 89 -10.515 -1.721 -3.901 694 HG21 VAL 89 HG21 VAL 89 -14.061 -2.770 -4.042 695 HG22 VAL 89 HG22 VAL 89 -13.007 -2.635 -5.450 696 HG23 VAL 89 HG23 VAL 89 -12.965 -1.397 -4.195 697 H ASP 90 HN ASP 90 -10.114 -5.928 -4.729 698 HA ASP 90 HA ASP 90 -9.488 -7.269 -2.235 699 HB2 ASP 90 HB2 ASP 90 -9.278 -8.470 -4.382 700 HB3 ASP 90 HB1 ASP 90 -8.036 -7.329 -4.889 701 H PHE 91 HN PHE 91 -7.537 -7.048 -1.095 702 HA PHE 91 HA PHE 91 -6.661 -4.573 -0.448 703 HB2 PHE 91 HB2 PHE 91 -6.049 -6.513 0.856 704 HB3 PHE 91 HB1 PHE 91 -5.045 -7.127 -0.454 705 HD1 PHE 91 HD1 PHE 91 -5.384 -3.969 1.521 706 HD2 PHE 91 HD2 PHE 91 -2.792 -6.889 -0.174 707 HE1 PHE 91 HE1 PHE 91 -3.442 -2.788 2.464 708 HE2 PHE 91 HE2 PHE 91 -0.846 -5.713 0.767 709 HZ PHE 91 HZ PHE 91 -1.169 -3.660 2.088 710 H GLU 92 HN GLU 92 -4.809 -6.698 -2.643 711 HA GLU 92 HA GLU 92 -2.793 -5.064 -3.407 712 HB2 GLU 92 HB2 GLU 92 -4.399 -6.906 -5.181 713 HB3 GLU 92 HB1 GLU 92 -2.843 -6.214 -5.622 714 HG2 GLU 92 HG2 GLU 92 -1.797 -7.354 -3.734 715 HG3 GLU 92 HG1 GLU 92 -3.356 -8.045 -3.288 716 H GLU 93 HN GLU 93 -6.031 -5.057 -4.895 717 HA GLU 93 HA GLU 93 -5.593 -3.157 -6.850 718 HB2 GLU 93 HB2 GLU 93 -8.078 -3.716 -5.231 719 HB3 GLU 93 HB1 GLU 93 -8.051 -2.665 -6.641 720 HG2 GLU 93 HG2 GLU 93 -7.446 -4.478 -8.068 721 HG3 GLU 93 HG1 GLU 93 -7.203 -5.550 -6.690 722 H PHE 94 HN PHE 94 -6.445 -2.636 -3.446 723 HA PHE 94 HA PHE 94 -6.578 0.221 -3.768 724 HB2 PHE 94 HB2 PHE 94 -8.005 -0.847 -2.124 725 HB3 PHE 94 HB1 PHE 94 -6.602 -1.507 -1.289 726 HD1 PHE 94 HD2 PHE 94 -8.070 1.750 -2.337 727 HD2 PHE 94 HD1 PHE 94 -5.728 -0.371 0.511 728 HE1 PHE 94 HE2 PHE 94 -7.961 3.767 -0.932 729 HE2 PHE 94 HE1 PHE 94 -5.615 1.642 1.923 730 HZ PHE 94 HZ PHE 94 -6.732 3.713 1.201 731 H VAL 95 HN VAL 95 -4.257 -2.064 -2.362 732 HA VAL 95 HA VAL 95 -2.513 -0.270 -1.173 733 HB VAL 95 HB VAL 95 -2.501 -2.884 -1.211 734 HG11 VAL 95 HG11 VAL 95 -0.398 -2.356 -3.300 735 HG12 VAL 95 HG12 VAL 95 -2.004 -2.981 -3.661 736 HG13 VAL 95 HG13 VAL 95 -0.907 -3.914 -2.648 737 HG21 VAL 95 HG21 VAL 95 -1.090 -1.492 0.211 738 HG22 VAL 95 HG22 VAL 95 0.059 -1.297 -1.111 739 HG23 VAL 95 HG23 VAL 95 -0.204 -2.888 -0.400 740 H THR 96 HN THR 96 -3.031 -0.906 -4.536 741 HA THR 96 HA THR 96 -0.533 0.284 -5.382 742 HB THR 96 HB THR 96 -2.950 -0.500 -7.027 743 HG1 THR 96 HG1 THR 96 -1.729 -2.202 -5.846 744 HG21 THR 96 HG21 THR 96 -1.388 -0.445 -8.924 745 HG22 THR 96 HG22 THR 96 -0.117 0.150 -7.856 746 HG23 THR 96 HG23 THR 96 -1.544 1.140 -8.167 747 H LEU 97 HN LEU 97 -3.939 1.185 -5.195 748 HA LEU 97 HA LEU 97 -3.986 3.518 -6.643 749 HB2 LEU 97 HB2 LEU 97 -5.366 2.915 -4.030 750 HB3 LEU 97 HB1 LEU 97 -5.751 4.288 -5.051 751 HG LEU 97 HG LEU 97 -6.009 1.401 -5.896 752 HD11 LEU 97 HD11 LEU 97 -7.589 1.993 -4.116 753 HD12 LEU 97 HD12 LEU 97 -8.401 1.721 -5.658 754 HD13 LEU 97 HD13 LEU 97 -8.143 3.366 -5.075 755 HD21 LEU 97 HD21 LEU 97 -5.597 2.927 -7.754 756 HD22 LEU 97 HD22 LEU 97 -6.921 3.958 -7.212 757 HD23 LEU 97 HD23 LEU 97 -7.254 2.325 -7.788 758 H LEU 98 HN LEU 98 -2.700 3.020 -3.400 759 HA LEU 98 HA LEU 98 -1.850 5.837 -3.368 760 HB2 LEU 98 HB2 LEU 98 -1.864 5.820 -1.033 761 HB3 LEU 98 HB1 LEU 98 -3.317 4.956 -1.489 762 HG LEU 98 HG LEU 98 -0.752 3.590 -0.673 763 HD11 LEU 98 HD11 LEU 98 -3.206 4.162 0.984 764 HD12 LEU 98 HD12 LEU 98 -1.634 4.940 1.168 765 HD13 LEU 98 HD13 LEU 98 -1.806 3.215 1.485 766 HD21 LEU 98 HD21 LEU 98 -2.209 2.210 -2.038 767 HD22 LEU 98 HD22 LEU 98 -3.579 2.589 -0.994 768 HD23 LEU 98 HD23 LEU 98 -2.228 1.647 -0.367 769 H GLY 99 HN GLY 99 -0.727 2.766 -3.951 770 HA2 GLY 99 HA2 GLY 99 1.882 3.038 -2.747 771 HA3 GLY 99 HA1 GLY 99 1.366 1.767 -3.845 772 HA PRO 100 HA PRO 100 4.212 4.775 -6.068 773 HB2 PRO 100 HB2 PRO 100 6.135 3.000 -6.759 774 HB3 PRO 100 HB1 PRO 100 6.152 3.872 -5.224 775 HG2 PRO 100 HG2 PRO 100 5.260 1.075 -5.804 776 HG3 PRO 100 HG1 PRO 100 6.221 1.684 -4.444 777 HD2 PRO 100 HD2 PRO 100 3.562 1.158 -4.252 778 HD3 PRO 100 HD1 PRO 100 4.366 2.423 -3.300 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 2.668 -30.194 2.561 2 H2 MET 1 HT2 MET 1 3.233 -28.708 3.138 3 H3 MET 1 HT3 MET 1 3.324 -29.062 1.487 4 HA MET 1 HA MET 1 0.821 -28.771 3.036 5 HB2 MET 1 HB2 MET 1 0.549 -26.697 1.618 6 HB3 MET 1 HB1 MET 1 1.792 -26.607 2.857 7 HG2 MET 1 HG2 MET 1 2.433 -27.334 0.020 8 HG3 MET 1 HG1 MET 1 2.334 -25.660 0.559 9 HE1 MET 1 HE1 MET 1 5.233 -25.361 3.104 10 HE2 MET 1 HE2 MET 1 3.538 -25.686 3.467 11 HE3 MET 1 HE3 MET 1 3.964 -24.526 2.209 12 HA PRO 2 HA PRO 2 0.108 -31.218 -0.865 13 HB2 PRO 2 HB2 PRO 2 -1.431 -33.135 0.266 14 HB3 PRO 2 HB1 PRO 2 0.334 -33.227 0.237 15 HG2 PRO 2 HG2 PRO 2 -1.480 -32.350 2.452 16 HG3 PRO 2 HG1 PRO 2 -0.048 -33.394 2.525 17 HD2 PRO 2 HD2 PRO 2 0.014 -30.770 3.209 18 HD3 PRO 2 HD1 PRO 2 1.408 -31.610 2.500 19 H PHE 3 HN PHE 3 -1.982 -30.050 1.695 20 HA PHE 3 HA PHE 3 -4.421 -30.289 0.233 21 HB2 PHE 3 HB2 PHE 3 -3.704 -28.634 2.661 22 HB3 PHE 3 HB1 PHE 3 -5.334 -28.788 2.014 23 HD1 PHE 3 HD2 PHE 3 -2.582 -30.577 3.673 24 HD2 PHE 3 HD1 PHE 3 -6.641 -30.736 2.404 25 HE1 PHE 3 HE2 PHE 3 -2.924 -32.599 5.032 26 HE2 PHE 3 HE1 PHE 3 -6.990 -32.758 3.762 27 HZ PHE 3 HZ PHE 3 -5.129 -33.692 5.079 28 H HIS 4 HN HIS 4 -1.937 -27.856 0.501 29 HA HIS 4 HA HIS 4 -3.551 -25.946 -1.028 30 HB2 HIS 4 HB2 HIS 4 -2.358 -25.184 1.036 31 HB3 HIS 4 HB1 HIS 4 -0.833 -25.533 0.231 32 HD1 HIS 4 HD1 HIS 4 -3.563 -23.032 0.414 33 HD2 HIS 4 HD2 HIS 4 -0.169 -23.744 -1.877 34 HE1 HIS 4 HE1 HIS 4 -3.145 -20.899 -0.850 35 HE2 HIS 4 HE2 HIS 4 -1.039 -21.325 -2.166 36 HA PRO 5 HA PRO 5 -1.300 -27.654 -4.594 37 HB2 PRO 5 HB2 PRO 5 -2.995 -25.710 -6.040 38 HB3 PRO 5 HB1 PRO 5 -2.817 -27.450 -6.287 39 HG2 PRO 5 HG2 PRO 5 -5.034 -26.430 -5.200 40 HG3 PRO 5 HG1 PRO 5 -4.363 -27.976 -4.646 41 HD2 PRO 5 HD2 PRO 5 -4.167 -25.264 -3.386 42 HD3 PRO 5 HD1 PRO 5 -4.447 -26.842 -2.623 43 H VAL 6 HN VAL 6 0.403 -26.903 -5.774 44 HA VAL 6 HA VAL 6 1.261 -24.165 -5.220 45 HB VAL 6 HB VAL 6 2.880 -25.923 -4.751 46 HG11 VAL 6 HG11 VAL 6 2.673 -26.580 -7.687 47 HG12 VAL 6 HG12 VAL 6 2.131 -27.591 -6.347 48 HG13 VAL 6 HG13 VAL 6 3.850 -27.264 -6.567 49 HG21 VAL 6 HG21 VAL 6 4.779 -25.033 -5.995 50 HG22 VAL 6 HG22 VAL 6 3.701 -23.733 -5.483 51 HG23 VAL 6 HG23 VAL 6 3.681 -24.288 -7.157 52 H THR 7 HN THR 7 1.561 -22.633 -6.761 53 HA THR 7 HA THR 7 1.276 -23.357 -9.581 54 HB THR 7 HB THR 7 -0.390 -21.190 -8.285 55 HG1 THR 7 HG1 THR 7 -1.246 -23.235 -7.831 56 HG21 THR 7 HG21 THR 7 0.283 -20.647 -10.576 57 HG22 THR 7 HG22 THR 7 -1.443 -20.996 -10.489 58 HG23 THR 7 HG23 THR 7 -0.330 -22.204 -11.130 59 H ALA 8 HN ALA 8 2.085 -20.967 -7.134 60 HA ALA 8 HA ALA 8 3.254 -19.093 -8.942 61 HB1 ALA 8 HB1 ALA 8 3.632 -19.384 -5.964 62 HB2 ALA 8 HB2 ALA 8 2.394 -18.412 -6.759 63 HB3 ALA 8 HB3 ALA 8 4.097 -17.989 -6.937 64 H ALA 9 HN ALA 9 5.669 -18.410 -8.076 65 HA ALA 9 HA ALA 9 7.365 -20.397 -9.191 66 HB1 ALA 9 HB1 ALA 9 7.814 -18.004 -9.423 67 HB2 ALA 9 HB2 ALA 9 9.180 -18.849 -8.696 68 HB3 ALA 9 HB3 ALA 9 8.100 -17.888 -7.687 69 H LEU 10 HN LEU 10 7.655 -18.872 -5.979 70 HA LEU 10 HA LEU 10 7.950 -21.457 -4.712 71 HB2 LEU 10 HB2 LEU 10 10.155 -20.615 -3.652 72 HB3 LEU 10 HB1 LEU 10 10.190 -21.334 -5.249 73 HG LEU 10 HG LEU 10 10.138 -18.988 -6.193 74 HD11 LEU 10 HD11 LEU 10 10.717 -18.275 -3.322 75 HD12 LEU 10 HD12 LEU 10 9.290 -17.815 -4.250 76 HD13 LEU 10 HD13 LEU 10 10.874 -17.185 -4.699 77 HD21 LEU 10 HD21 LEU 10 12.176 -20.328 -6.100 78 HD22 LEU 10 HD22 LEU 10 12.488 -19.748 -4.463 79 HD23 LEU 10 HD23 LEU 10 12.519 -18.622 -5.820 80 H MET 11 HN MET 11 8.468 -21.127 -2.295 81 HA MET 11 HA MET 11 7.354 -18.620 -1.269 82 HB2 MET 11 HB2 MET 11 6.336 -21.368 -0.522 83 HB3 MET 11 HB1 MET 11 5.877 -19.872 0.278 84 HG2 MET 11 HG2 MET 11 5.360 -20.549 -2.609 85 HG3 MET 11 HG1 MET 11 4.180 -20.628 -1.302 86 HE1 MET 11 HE1 MET 11 2.556 -19.116 -2.792 87 HE2 MET 11 HE2 MET 11 3.776 -18.992 -4.060 88 HE3 MET 11 HE3 MET 11 3.005 -17.535 -3.431 89 H TYR 12 HN TYR 12 10.025 -19.865 -1.324 90 HA TYR 12 HA TYR 12 10.603 -20.830 1.305 91 HB2 TYR 12 HB2 TYR 12 12.462 -19.788 -0.844 92 HB3 TYR 12 HB1 TYR 12 12.966 -20.636 0.614 93 HD1 TYR 12 HD2 TYR 12 12.028 -23.025 0.950 94 HD2 TYR 12 HD1 TYR 12 12.006 -20.987 -2.786 95 HE1 TYR 12 HE2 TYR 12 11.801 -25.178 -0.217 96 HE2 TYR 12 HE1 TYR 12 11.779 -23.135 -3.962 97 HH TYR 12 HH TYR 12 12.267 -25.520 -3.550 98 H ARG 13 HN ARG 13 11.091 -17.742 -0.375 99 HA ARG 13 HA ARG 13 11.536 -15.643 0.375 100 HB2 ARG 13 HB2 ARG 13 10.184 -16.728 2.852 101 HB3 ARG 13 HB1 ARG 13 10.567 -15.031 2.597 102 HG2 ARG 13 HG2 ARG 13 8.754 -16.675 0.843 103 HG3 ARG 13 HG1 ARG 13 8.219 -15.568 2.108 104 HD2 ARG 13 HD2 ARG 13 9.791 -14.842 -0.361 105 HD3 ARG 13 HD1 ARG 13 8.086 -14.501 -0.071 106 HE ARG 13 HE ARG 13 9.257 -13.284 2.009 107 HH11 ARG 13 HH11 ARG 13 9.953 -13.225 -1.405 108 HH12 ARG 13 HH12 ARG 13 10.581 -11.610 -1.381 109 HH21 ARG 13 HH21 ARG 13 10.083 -11.158 2.051 110 HH22 ARG 13 HH22 ARG 13 10.654 -10.436 0.583 111 H GLY 14 HN GLY 14 13.789 -15.844 0.297 112 HA2 GLY 14 HA2 GLY 14 15.110 -15.413 2.790 113 HA3 GLY 14 HA1 GLY 14 15.472 -17.008 2.148 114 H ILE 15 HN ILE 15 15.920 -16.805 -0.394 115 HA ILE 15 HA ILE 15 18.260 -15.100 -0.565 116 HB ILE 15 HB ILE 15 18.418 -17.426 -1.323 117 HG12 ILE 15 HG12 ILE 15 19.396 -16.986 -3.582 118 HG13 ILE 15 HG11 ILE 15 18.706 -15.368 -3.523 119 HG21 ILE 15 HG21 ILE 15 16.134 -17.729 -2.096 120 HG22 ILE 15 HG22 ILE 15 17.283 -18.157 -3.364 121 HG23 ILE 15 HG23 ILE 15 16.424 -16.618 -3.434 122 HD11 ILE 15 HD11 ILE 15 20.062 -14.872 -1.551 123 HD12 ILE 15 HD12 ILE 15 21.051 -15.333 -2.937 124 HD13 ILE 15 HD13 ILE 15 20.764 -16.489 -1.636 125 H TYR 16 HN TYR 16 18.634 -13.574 -2.222 126 HA TYR 16 HA TYR 16 16.565 -11.830 -2.799 127 HB2 TYR 16 HB2 TYR 16 19.105 -12.207 -4.396 128 HB3 TYR 16 HB1 TYR 16 18.080 -10.776 -4.405 129 HD1 TYR 16 HD1 TYR 16 18.081 -9.232 -2.520 130 HD2 TYR 16 HD2 TYR 16 20.567 -12.684 -2.518 131 HE1 TYR 16 HE1 TYR 16 19.370 -8.296 -0.647 132 HE2 TYR 16 HE2 TYR 16 21.861 -11.758 -0.644 133 HH TYR 16 HH TYR 16 20.813 -9.120 1.189 134 H THR 17 HN THR 17 18.240 -13.240 -5.557 135 HA THR 17 HA THR 17 17.435 -13.803 -7.627 136 HB THR 17 HB THR 17 15.516 -15.470 -5.990 137 HG1 THR 17 HG1 THR 17 17.829 -15.643 -5.426 138 HG21 THR 17 HG21 THR 17 15.025 -15.467 -8.379 139 HG22 THR 17 HG22 THR 17 15.681 -17.028 -7.889 140 HG23 THR 17 HG23 THR 17 16.703 -15.871 -8.739 141 H VAL 18 HN VAL 18 16.577 -11.640 -7.997 142 HA VAL 18 HA VAL 18 14.083 -10.680 -7.430 143 HB VAL 18 HB VAL 18 14.241 -9.509 -9.711 144 HG11 VAL 18 HG11 VAL 18 16.490 -9.253 -7.713 145 HG12 VAL 18 HG12 VAL 18 14.913 -8.470 -7.614 146 HG13 VAL 18 HG13 VAL 18 16.032 -8.036 -8.905 147 HG21 VAL 18 HG21 VAL 18 16.936 -10.870 -9.647 148 HG22 VAL 18 HG22 VAL 18 16.457 -9.592 -10.765 149 HG23 VAL 18 HG23 VAL 18 15.652 -11.160 -10.821 150 HA PRO 19 HA PRO 19 11.678 -13.739 -9.739 151 HB2 PRO 19 HB2 PRO 19 9.442 -13.585 -8.274 152 HB3 PRO 19 HB1 PRO 19 10.884 -14.416 -7.678 153 HG2 PRO 19 HG2 PRO 19 9.817 -11.728 -6.968 154 HG3 PRO 19 HG1 PRO 19 10.627 -12.923 -5.942 155 HD2 PRO 19 HD2 PRO 19 11.819 -10.672 -7.093 156 HD3 PRO 19 HD1 PRO 19 12.676 -12.070 -6.417 157 H ASN 20 HN ASN 20 10.032 -10.785 -8.553 158 HA ASN 20 HA ASN 20 9.029 -10.373 -11.291 159 HB2 ASN 20 HB2 ASN 20 7.513 -9.932 -8.711 160 HB3 ASN 20 HB1 ASN 20 6.932 -9.479 -10.310 161 HD21 ASN 20 HD21 ASN 20 5.805 -11.322 -8.354 162 HD22 ASN 20 HD22 ASN 20 5.664 -12.844 -9.159 163 H LEU 21 HN LEU 21 10.541 -8.830 -11.823 164 HA LEU 21 HA LEU 21 10.532 -6.375 -10.197 165 HB2 LEU 21 HB2 LEU 21 12.653 -7.891 -11.436 166 HB3 LEU 21 HB1 LEU 21 12.648 -6.244 -12.036 167 HG LEU 21 HG LEU 21 14.149 -6.537 -10.109 168 HD11 LEU 21 HD11 LEU 21 11.760 -4.792 -9.532 169 HD12 LEU 21 HD12 LEU 21 13.140 -4.359 -10.541 170 HD13 LEU 21 HD13 LEU 21 13.361 -4.630 -8.812 171 HD21 LEU 21 HD21 LEU 21 13.230 -6.929 -7.885 172 HD22 LEU 21 HD22 LEU 21 12.902 -8.296 -8.951 173 HD23 LEU 21 HD23 LEU 21 11.622 -7.142 -8.576 174 H LEU 22 HN LEU 22 8.503 -7.049 -12.131 175 HA LEU 22 HA LEU 22 9.055 -5.232 -14.358 176 HB2 LEU 22 HB2 LEU 22 7.095 -6.132 -15.418 177 HB3 LEU 22 HB1 LEU 22 8.103 -7.454 -14.865 178 HG LEU 22 HG LEU 22 5.791 -6.505 -13.201 179 HD11 LEU 22 HD11 LEU 22 5.681 -8.499 -15.460 180 HD12 LEU 22 HD12 LEU 22 4.877 -6.930 -15.412 181 HD13 LEU 22 HD13 LEU 22 4.396 -8.202 -14.289 182 HD21 LEU 22 HD21 LEU 22 5.833 -8.886 -12.488 183 HD22 LEU 22 HD22 LEU 22 7.312 -8.006 -12.108 184 HD23 LEU 22 HD23 LEU 22 7.274 -9.115 -13.478 185 H SER 23 HN SER 23 7.196 -5.504 -11.446 186 HA SER 23 HA SER 23 5.711 -3.057 -12.099 187 HB2 SER 23 HB2 SER 23 4.288 -3.637 -10.158 188 HB3 SER 23 HB1 SER 23 4.330 -4.931 -11.355 189 HG SER 23 HG SER 23 5.721 -6.074 -10.049 190 H GLU 24 HN GLU 24 8.102 -4.402 -9.959 191 HA GLU 24 HA GLU 24 8.190 -1.910 -8.414 192 HB2 GLU 24 HB2 GLU 24 9.421 -4.620 -7.897 193 HB3 GLU 24 HB1 GLU 24 9.695 -3.207 -6.886 194 HG2 GLU 24 HG2 GLU 24 7.311 -3.102 -6.378 195 HG3 GLU 24 HG1 GLU 24 7.029 -4.512 -7.399 196 H GLN 25 HN GLN 25 9.208 -2.217 -11.174 197 HA GLN 25 HA GLN 25 12.029 -2.363 -11.155 198 HB2 GLN 25 HB2 GLN 25 10.812 -2.672 -13.219 199 HB3 GLN 25 HB1 GLN 25 10.121 -1.060 -13.100 200 HG2 GLN 25 HG2 GLN 25 11.876 -1.080 -14.742 201 HG3 GLN 25 HG1 GLN 25 12.363 -0.096 -13.361 202 HE21 GLN 25 HE21 GLN 25 12.345 -3.587 -13.325 203 HE22 GLN 25 HE22 GLN 25 14.059 -3.791 -13.266 204 H ARG 26 HN ARG 26 9.834 0.067 -10.238 205 HA ARG 26 HA ARG 26 11.726 2.246 -10.503 206 HB2 ARG 26 HB2 ARG 26 8.986 2.196 -9.228 207 HB3 ARG 26 HB1 ARG 26 9.930 3.634 -9.597 208 HG2 ARG 26 HG2 ARG 26 9.756 3.189 -11.961 209 HG3 ARG 26 HG1 ARG 26 8.912 1.673 -11.642 210 HD2 ARG 26 HD2 ARG 26 7.093 2.939 -10.571 211 HD3 ARG 26 HD1 ARG 26 7.933 4.442 -10.955 212 HE ARG 26 HE ARG 26 7.677 3.223 -13.363 213 HH11 ARG 26 HH11 ARG 26 5.434 4.049 -10.829 214 HH12 ARG 26 HH12 ARG 26 4.097 4.269 -11.908 215 HH21 ARG 26 HH21 ARG 26 5.923 3.505 -14.790 216 HH22 ARG 26 HH22 ARG 26 4.375 3.958 -14.159 217 HA PRO 27 HA PRO 27 13.289 1.943 -6.371 218 HB2 PRO 27 HB2 PRO 27 14.173 4.431 -5.943 219 HB3 PRO 27 HB1 PRO 27 14.901 3.402 -7.183 220 HG2 PRO 27 HG2 PRO 27 12.897 5.605 -7.487 221 HG3 PRO 27 HG1 PRO 27 14.327 5.250 -8.475 222 HD2 PRO 27 HD2 PRO 27 11.763 4.521 -9.152 223 HD3 PRO 27 HD1 PRO 27 13.220 3.683 -9.720 224 H VAL 28 HN VAL 28 10.378 2.470 -6.605 225 HA VAL 28 HA VAL 28 9.989 4.047 -4.142 226 HB VAL 28 HB VAL 28 7.867 3.558 -6.211 227 HG11 VAL 28 HG11 VAL 28 8.167 5.611 -4.028 228 HG12 VAL 28 HG12 VAL 28 7.085 4.218 -4.019 229 HG13 VAL 28 HG13 VAL 28 6.829 5.526 -5.173 230 HG21 VAL 28 HG21 VAL 28 9.752 5.910 -6.058 231 HG22 VAL 28 HG22 VAL 28 8.331 5.807 -7.097 232 HG23 VAL 28 HG23 VAL 28 9.685 4.704 -7.344 233 H ASP 29 HN ASP 29 8.969 3.074 -2.471 234 HA ASP 29 HA ASP 29 7.060 1.045 -2.649 235 HB2 ASP 29 HB2 ASP 29 8.280 -0.938 -2.021 236 HB3 ASP 29 HB1 ASP 29 9.000 -0.275 -3.486 237 H ILE 30 HN ILE 30 6.053 0.802 -0.745 238 HA ILE 30 HA ILE 30 7.134 2.275 1.525 239 HB ILE 30 HB ILE 30 4.391 1.239 0.864 240 HG12 ILE 30 HG12 ILE 30 3.774 3.604 1.151 241 HG13 ILE 30 HG11 ILE 30 5.437 3.988 1.574 242 HG21 ILE 30 HG21 ILE 30 3.629 2.106 3.053 243 HG22 ILE 30 HG22 ILE 30 5.316 2.300 3.522 244 HG23 ILE 30 HG23 ILE 30 4.675 0.693 3.187 245 HD11 ILE 30 HD11 ILE 30 4.892 4.599 -0.727 246 HD12 ILE 30 HD12 ILE 30 4.526 2.911 -1.082 247 HD13 ILE 30 HD13 ILE 30 6.170 3.386 -0.648 248 HA PRO 31 HA PRO 31 8.424 -1.604 3.362 249 HB2 PRO 31 HB2 PRO 31 9.198 -0.592 5.765 250 HB3 PRO 31 HB1 PRO 31 10.182 -0.471 4.303 251 HG2 PRO 31 HG2 PRO 31 8.392 1.567 5.560 252 HG3 PRO 31 HG1 PRO 31 9.999 1.778 4.842 253 HD2 PRO 31 HD2 PRO 31 7.716 2.423 3.530 254 HD3 PRO 31 HD1 PRO 31 9.166 1.846 2.689 255 H GLU 32 HN GLU 32 7.647 -3.054 4.886 256 HA GLU 32 HA GLU 32 5.047 -3.293 5.417 257 HB2 GLU 32 HB2 GLU 32 6.711 -5.004 5.974 258 HB3 GLU 32 HB1 GLU 32 7.223 -4.059 7.365 259 HG2 GLU 32 HG2 GLU 32 5.033 -4.326 8.379 260 HG3 GLU 32 HG1 GLU 32 4.479 -5.229 6.971 261 H ASP 33 HN ASP 33 7.278 -1.572 7.603 262 HA ASP 33 HA ASP 33 5.663 -0.965 9.694 263 HB2 ASP 33 HB2 ASP 33 7.588 0.936 8.344 264 HB3 ASP 33 HB1 ASP 33 6.976 1.100 9.986 265 H GLU 34 HN GLU 34 6.083 1.389 7.043 266 HA GLU 34 HA GLU 34 3.753 2.839 7.775 267 HB2 GLU 34 HB2 GLU 34 4.287 3.463 5.098 268 HB3 GLU 34 HB1 GLU 34 4.794 4.361 6.524 269 HG2 GLU 34 HG2 GLU 34 6.834 2.919 6.593 270 HG3 GLU 34 HG1 GLU 34 6.332 2.251 5.040 271 H LEU 35 HN LEU 35 4.244 0.021 5.904 272 HA LEU 35 HA LEU 35 2.025 0.250 4.167 273 HB2 LEU 35 HB2 LEU 35 3.927 -1.347 3.878 274 HB3 LEU 35 HB1 LEU 35 3.277 -2.290 5.207 275 HG LEU 35 HG LEU 35 1.112 -2.381 3.771 276 HD11 LEU 35 HD11 LEU 35 1.469 -2.265 1.385 277 HD12 LEU 35 HD12 LEU 35 3.155 -1.811 1.633 278 HD13 LEU 35 HD13 LEU 35 1.866 -0.715 2.129 279 HD21 LEU 35 HD21 LEU 35 3.583 -3.906 2.960 280 HD22 LEU 35 HD22 LEU 35 1.915 -4.387 2.652 281 HD23 LEU 35 HD23 LEU 35 2.519 -4.305 4.307 282 H GLU 36 HN GLU 36 2.429 -0.962 7.439 283 HA GLU 36 HA GLU 36 0.012 -2.309 7.761 284 HB2 GLU 36 HB2 GLU 36 1.622 -0.728 9.772 285 HB3 GLU 36 HB1 GLU 36 0.277 -1.778 10.194 286 HG2 GLU 36 HG2 GLU 36 1.493 -3.685 9.223 287 HG3 GLU 36 HG1 GLU 36 2.855 -2.617 8.887 288 H GLU 37 HN GLU 37 0.740 1.106 7.781 289 HA GLU 37 HA GLU 37 -1.600 2.078 8.979 290 HB2 GLU 37 HB2 GLU 37 -0.005 3.394 6.772 291 HB3 GLU 37 HB1 GLU 37 -1.072 4.198 7.916 292 HG2 GLU 37 HG2 GLU 37 0.416 3.555 9.747 293 HG3 GLU 37 HG1 GLU 37 1.488 2.765 8.591 294 H ILE 38 HN ILE 38 -0.882 1.080 5.697 295 HA ILE 38 HA ILE 38 -3.231 2.050 4.466 296 HB ILE 38 HB ILE 38 -1.479 -0.286 3.677 297 HG12 ILE 38 HG12 ILE 38 -1.480 2.580 2.701 298 HG13 ILE 38 HG11 ILE 38 -0.320 1.907 3.842 299 HG21 ILE 38 HG21 ILE 38 -2.431 0.023 1.431 300 HG22 ILE 38 HG22 ILE 38 -3.535 1.237 2.079 301 HG23 ILE 38 HG23 ILE 38 -3.653 -0.438 2.615 302 HD11 ILE 38 HD11 ILE 38 0.490 0.378 2.152 303 HD12 ILE 38 HD12 ILE 38 0.576 2.042 1.574 304 HD13 ILE 38 HD13 ILE 38 -0.711 0.976 1.008 305 H ARG 39 HN ARG 39 -2.371 -1.202 5.625 306 HA ARG 39 HA ARG 39 -4.818 -2.435 5.067 307 HB2 ARG 39 HB2 ARG 39 -2.833 -3.087 7.253 308 HB3 ARG 39 HB1 ARG 39 -4.100 -4.159 6.669 309 HG2 ARG 39 HG2 ARG 39 -2.805 -4.887 5.031 310 HG3 ARG 39 HG1 ARG 39 -2.513 -3.239 4.468 311 HD2 ARG 39 HD2 ARG 39 -0.409 -4.274 5.014 312 HD3 ARG 39 HD1 ARG 39 -0.753 -3.008 6.191 313 HE ARG 39 HE ARG 39 -1.727 -5.368 7.260 314 HH11 ARG 39 HH11 ARG 39 1.350 -4.072 6.266 315 HH12 ARG 39 HH12 ARG 39 2.258 -5.005 7.409 316 HH21 ARG 39 HH21 ARG 39 -0.539 -6.600 8.769 317 HH22 ARG 39 HH22 ARG 39 1.184 -6.440 8.831 318 H GLU 40 HN GLU 40 -3.660 -1.503 8.317 319 HA GLU 40 HA GLU 40 -5.857 -1.910 9.808 320 HB2 GLU 40 HB2 GLU 40 -4.055 0.509 9.944 321 HB3 GLU 40 HB1 GLU 40 -5.178 0.034 11.211 322 HG2 GLU 40 HG2 GLU 40 -2.861 -1.606 10.214 323 HG3 GLU 40 HG1 GLU 40 -2.897 -0.666 11.704 324 H ALA 41 HN ALA 41 -5.539 0.629 7.420 325 HA ALA 41 HA ALA 41 -7.741 2.194 8.293 326 HB1 ALA 41 HB1 ALA 41 -7.546 3.338 6.176 327 HB2 ALA 41 HB2 ALA 41 -6.527 2.048 5.541 328 HB3 ALA 41 HB3 ALA 41 -5.945 3.062 6.861 329 H PHE 42 HN PHE 42 -7.683 0.678 5.082 330 HA PHE 42 HA PHE 42 -10.520 0.451 5.067 331 HB2 PHE 42 HB2 PHE 42 -8.309 -0.148 3.177 332 HB3 PHE 42 HB1 PHE 42 -9.856 -0.934 2.895 333 HD1 PHE 42 HD1 PHE 42 -8.903 2.492 4.034 334 HD2 PHE 42 HD2 PHE 42 -10.973 0.102 1.186 335 HE1 PHE 42 HE1 PHE 42 -9.744 4.530 2.941 336 HE2 PHE 42 HE2 PHE 42 -11.815 2.135 0.087 337 HZ PHE 42 HZ PHE 42 -11.206 4.352 0.966 338 H LYS 43 HN LYS 43 -7.974 -1.717 5.955 339 HA LYS 43 HA LYS 43 -9.328 -4.150 5.515 340 HB2 LYS 43 HB2 LYS 43 -6.802 -3.542 6.221 341 HB3 LYS 43 HB1 LYS 43 -7.436 -4.023 7.788 342 HG2 LYS 43 HG2 LYS 43 -6.378 -5.890 6.658 343 HG3 LYS 43 HG1 LYS 43 -8.106 -6.175 6.861 344 HD2 LYS 43 HD2 LYS 43 -7.337 -6.852 4.635 345 HD3 LYS 43 HD1 LYS 43 -8.502 -5.531 4.543 346 HE2 LYS 43 HE2 LYS 43 -6.617 -3.940 4.317 347 HE3 LYS 43 HE1 LYS 43 -5.501 -5.305 4.312 348 HZ1 LYS 43 HZ1 LYS 43 -6.090 -4.458 2.073 349 HZ2 LYS 43 HZ2 LYS 43 -7.687 -4.953 2.336 350 HZ3 LYS 43 HZ3 LYS 43 -6.443 -6.098 2.290 351 H VAL 44 HN VAL 44 -9.247 -1.975 8.341 352 HA VAL 44 HA VAL 44 -10.696 -3.762 10.012 353 HB VAL 44 HB VAL 44 -11.141 -1.846 11.474 354 HG11 VAL 44 HG11 VAL 44 -8.323 -2.073 10.440 355 HG12 VAL 44 HG12 VAL 44 -9.058 -2.973 11.767 356 HG13 VAL 44 HG13 VAL 44 -8.769 -1.242 11.930 357 HG21 VAL 44 HG21 VAL 44 -11.497 -0.159 9.725 358 HG22 VAL 44 HG22 VAL 44 -9.772 -0.191 9.364 359 HG23 VAL 44 HG23 VAL 44 -10.331 0.373 10.936 360 H PHE 45 HN PHE 45 -11.667 -1.262 7.708 361 HA PHE 45 HA PHE 45 -14.383 -1.147 8.456 362 HB2 PHE 45 HB2 PHE 45 -13.055 -0.638 5.786 363 HB3 PHE 45 HB1 PHE 45 -14.771 -0.376 6.076 364 HD1 PHE 45 HD1 PHE 45 -15.230 1.054 8.306 365 HD2 PHE 45 HD2 PHE 45 -11.702 1.204 5.936 366 HE1 PHE 45 HE1 PHE 45 -14.751 3.307 9.168 367 HE2 PHE 45 HE2 PHE 45 -11.213 3.455 6.795 368 HZ PHE 45 HZ PHE 45 -12.739 4.511 8.414 369 H ASP 46 HN ASP 46 -12.568 -3.599 6.960 370 HA ASP 46 HA ASP 46 -14.757 -4.884 5.603 371 HB2 ASP 46 HB2 ASP 46 -12.443 -5.185 4.822 372 HB3 ASP 46 HB1 ASP 46 -12.014 -5.933 6.356 373 H ARG 47 HN ARG 47 -16.377 -5.405 6.920 374 HA ARG 47 HA ARG 47 -16.195 -6.262 9.575 375 HB2 ARG 47 HB2 ARG 47 -18.429 -6.989 7.692 376 HB3 ARG 47 HB1 ARG 47 -18.518 -6.707 9.426 377 HG2 ARG 47 HG2 ARG 47 -17.582 -4.474 7.714 378 HG3 ARG 47 HG1 ARG 47 -19.292 -4.893 7.661 379 HD2 ARG 47 HD2 ARG 47 -18.965 -3.188 9.322 380 HD3 ARG 47 HD1 ARG 47 -19.356 -4.701 10.137 381 HE ARG 47 HE ARG 47 -16.689 -4.752 10.184 382 HH11 ARG 47 HH11 ARG 47 -18.940 -2.207 10.966 383 HH12 ARG 47 HH12 ARG 47 -17.903 -1.479 12.146 384 HH21 ARG 47 HH21 ARG 47 -15.319 -3.799 11.731 385 HH22 ARG 47 HH22 ARG 47 -15.842 -2.383 12.579 386 H ASP 48 HN ASP 48 -16.340 -8.118 6.557 387 HA ASP 48 HA ASP 48 -16.467 -10.644 7.903 388 HB2 ASP 48 HB2 ASP 48 -15.779 -10.033 5.021 389 HB3 ASP 48 HB1 ASP 48 -16.193 -11.617 5.670 390 H GLY 49 HN GLY 49 -13.945 -8.493 7.047 391 HA2 GLY 49 HA2 GLY 49 -11.664 -8.614 7.270 392 HA3 GLY 49 HA1 GLY 49 -11.960 -9.923 8.402 393 H ASN 50 HN ASN 50 -13.241 -10.515 5.319 394 HA ASN 50 HA ASN 50 -11.459 -12.692 4.871 395 HB2 ASN 50 HB2 ASN 50 -12.719 -12.951 2.726 396 HB3 ASN 50 HB1 ASN 50 -13.746 -12.902 4.152 397 HD21 ASN 50 HD21 ASN 50 -14.483 -12.364 1.438 398 HD22 ASN 50 HD22 ASN 50 -15.060 -10.736 1.383 399 H GLY 51 HN GLY 51 -10.900 -9.511 4.507 400 HA2 GLY 51 HA2 GLY 51 -8.903 -8.635 3.596 401 HA3 GLY 51 HA1 GLY 51 -8.828 -10.007 2.498 402 H PHE 52 HN PHE 52 -11.861 -9.364 2.107 403 HA PHE 52 HA PHE 52 -11.404 -7.313 0.042 404 HB2 PHE 52 HB2 PHE 52 -13.673 -9.296 0.023 405 HB3 PHE 52 HB1 PHE 52 -13.032 -8.353 -1.317 406 HD1 PHE 52 HD2 PHE 52 -12.517 -11.287 0.809 407 HD2 PHE 52 HD1 PHE 52 -11.082 -9.068 -2.524 408 HE1 PHE 52 HE2 PHE 52 -11.088 -13.183 0.173 409 HE2 PHE 52 HE1 PHE 52 -9.647 -10.961 -3.171 410 HZ PHE 52 HZ PHE 52 -9.648 -13.021 -1.822 411 H ILE 53 HN ILE 53 -12.914 -5.656 -0.209 412 HA ILE 53 HA ILE 53 -14.777 -5.344 2.053 413 HB ILE 53 HB ILE 53 -13.356 -3.177 0.499 414 HG12 ILE 53 HG12 ILE 53 -12.997 -3.693 3.431 415 HG13 ILE 53 HG11 ILE 53 -12.116 -4.681 2.270 416 HG21 ILE 53 HG21 ILE 53 -14.316 -1.649 2.167 417 HG22 ILE 53 HG22 ILE 53 -15.223 -2.993 2.860 418 HG23 ILE 53 HG23 ILE 53 -15.561 -2.458 1.213 419 HD11 ILE 53 HD11 ILE 53 -11.992 -1.689 2.541 420 HD12 ILE 53 HD12 ILE 53 -11.161 -2.629 1.303 421 HD13 ILE 53 HD13 ILE 53 -10.745 -2.848 3.002 422 H SER 54 HN SER 54 -16.727 -5.894 1.297 423 HA SER 54 HA SER 54 -17.634 -5.638 -1.343 424 HB2 SER 54 HB2 SER 54 -19.878 -6.038 -0.420 425 HB3 SER 54 HB1 SER 54 -18.697 -7.133 0.296 426 HG SER 54 HG SER 54 -19.744 -6.372 2.021 427 H LYS 55 HN LYS 55 -19.785 -4.308 -1.776 428 HA LYS 55 HA LYS 55 -19.056 -1.595 -1.805 429 HB2 LYS 55 HB2 LYS 55 -21.792 -2.813 -2.221 430 HB3 LYS 55 HB1 LYS 55 -21.317 -1.185 -2.673 431 HG2 LYS 55 HG2 LYS 55 -21.113 -2.232 -4.681 432 HG3 LYS 55 HG1 LYS 55 -19.478 -2.450 -4.057 433 HD2 LYS 55 HD2 LYS 55 -20.196 -4.544 -4.949 434 HD3 LYS 55 HD1 LYS 55 -20.194 -4.687 -3.192 435 HE2 LYS 55 HE2 LYS 55 -22.619 -4.269 -3.176 436 HE3 LYS 55 HE1 LYS 55 -22.602 -4.184 -4.936 437 HZ1 LYS 55 HZ1 LYS 55 -23.300 -6.358 -4.213 438 HZ2 LYS 55 HZ2 LYS 55 -21.896 -6.552 -3.291 439 HZ3 LYS 55 HZ3 LYS 55 -21.795 -6.481 -4.978 440 H GLN 56 HN GLN 56 -21.539 -3.299 0.086 441 HA GLN 56 HA GLN 56 -22.506 -1.108 1.513 442 HB2 GLN 56 HB2 GLN 56 -22.302 -3.849 2.728 443 HB3 GLN 56 HB1 GLN 56 -23.570 -2.649 2.931 444 HG2 GLN 56 HG2 GLN 56 -23.059 -3.938 0.276 445 HG3 GLN 56 HG1 GLN 56 -24.048 -4.722 1.503 446 HE21 GLN 56 HE21 GLN 56 -23.932 -1.250 0.978 447 HE22 GLN 56 HE22 GLN 56 -25.545 -1.099 0.388 448 H GLU 57 HN GLU 57 -19.677 -3.104 2.045 449 HA GLU 57 HA GLU 57 -19.138 -2.085 4.673 450 HB2 GLU 57 HB2 GLU 57 -17.474 -3.677 2.718 451 HB3 GLU 57 HB1 GLU 57 -16.921 -3.234 4.325 452 HG2 GLU 57 HG2 GLU 57 -18.687 -4.511 5.342 453 HG3 GLU 57 HG1 GLU 57 -19.389 -4.858 3.762 454 H LEU 58 HN LEU 58 -17.800 -1.547 1.439 455 HA LEU 58 HA LEU 58 -15.840 0.320 2.120 456 HB2 LEU 58 HB2 LEU 58 -16.438 -0.907 -0.135 457 HB3 LEU 58 HB1 LEU 58 -17.380 0.536 -0.443 458 HG LEU 58 HG LEU 58 -15.099 0.514 -1.474 459 HD11 LEU 58 HD11 LEU 58 -14.672 2.808 -1.079 460 HD12 LEU 58 HD12 LEU 58 -15.449 2.751 0.503 461 HD13 LEU 58 HD13 LEU 58 -16.419 2.585 -0.962 462 HD21 LEU 58 HD21 LEU 58 -13.915 -0.583 0.365 463 HD22 LEU 58 HD22 LEU 58 -14.178 0.837 1.378 464 HD23 LEU 58 HD23 LEU 58 -13.173 0.957 -0.065 465 H GLY 59 HN GLY 59 -19.288 0.601 1.783 466 HA2 GLY 59 HA2 GLY 59 -19.442 3.426 1.493 467 HA3 GLY 59 HA1 GLY 59 -20.741 2.368 2.029 468 H THR 60 HN THR 60 -18.688 1.409 4.129 469 HA THR 60 HA THR 60 -19.529 3.284 6.172 470 HB THR 60 HB THR 60 -17.850 0.780 6.455 471 HG1 THR 60 HG1 THR 60 -20.049 0.094 7.349 472 HG21 THR 60 HG21 THR 60 -18.505 0.882 8.813 473 HG22 THR 60 HG22 THR 60 -19.377 2.385 8.510 474 HG23 THR 60 HG23 THR 60 -17.622 2.333 8.338 475 H ALA 61 HN ALA 61 -16.707 2.479 4.337 476 HA ALA 61 HA ALA 61 -14.792 3.745 6.031 477 HB1 ALA 61 HB1 ALA 61 -14.626 3.099 3.089 478 HB2 ALA 61 HB2 ALA 61 -14.147 2.035 4.411 479 HB3 ALA 61 HB3 ALA 61 -13.273 3.540 4.130 480 H MET 62 HN MET 62 -16.586 4.761 3.146 481 HA MET 62 HA MET 62 -15.375 7.283 2.861 482 HB2 MET 62 HB2 MET 62 -18.115 6.332 2.014 483 HB3 MET 62 HB1 MET 62 -17.377 7.841 1.494 484 HG2 MET 62 HG2 MET 62 -16.288 5.085 0.965 485 HG3 MET 62 HG1 MET 62 -17.169 6.087 -0.189 486 HE1 MET 62 HE1 MET 62 -15.174 5.708 -1.898 487 HE2 MET 62 HE2 MET 62 -14.240 4.789 -0.718 488 HE3 MET 62 HE3 MET 62 -13.496 6.142 -1.571 489 H ARG 63 HN ARG 63 -18.438 6.355 4.447 490 HA ARG 63 HA ARG 63 -19.256 8.890 5.232 491 HB2 ARG 63 HB2 ARG 63 -20.603 7.791 6.943 492 HB3 ARG 63 HB1 ARG 63 -20.677 6.898 5.430 493 HG2 ARG 63 HG2 ARG 63 -19.232 5.210 6.257 494 HG3 ARG 63 HG1 ARG 63 -18.831 6.165 7.686 495 HD2 ARG 63 HD2 ARG 63 -21.539 5.015 7.018 496 HD3 ARG 63 HD1 ARG 63 -20.417 4.387 8.223 497 HE ARG 63 HE ARG 63 -21.453 7.122 8.474 498 HH11 ARG 63 HH11 ARG 63 -21.162 3.868 9.687 499 HH12 ARG 63 HH12 ARG 63 -21.820 4.252 11.242 500 HH21 ARG 63 HH21 ARG 63 -22.321 7.636 10.516 501 HH22 ARG 63 HH22 ARG 63 -22.483 6.393 11.713 502 H SER 64 HN SER 64 -16.830 6.799 6.609 503 HA SER 64 HA SER 64 -16.537 7.921 9.135 504 HB2 SER 64 HB2 SER 64 -15.353 5.884 8.439 505 HB3 SER 64 HB1 SER 64 -14.364 6.830 7.328 506 HG SER 64 HG SER 64 -13.152 6.674 9.130 507 H LEU 65 HN LEU 65 -15.295 8.995 6.020 508 HA LEU 65 HA LEU 65 -13.698 11.107 7.100 509 HB2 LEU 65 HB2 LEU 65 -14.742 11.042 4.286 510 HB3 LEU 65 HB1 LEU 65 -13.227 11.696 4.878 511 HG LEU 65 HG LEU 65 -13.913 8.763 4.676 512 HD11 LEU 65 HD11 LEU 65 -12.025 10.454 3.047 513 HD12 LEU 65 HD12 LEU 65 -13.573 9.809 2.499 514 HD13 LEU 65 HD13 LEU 65 -12.251 8.712 2.897 515 HD21 LEU 65 HD21 LEU 65 -12.419 9.206 6.547 516 HD22 LEU 65 HD22 LEU 65 -11.348 10.127 5.491 517 HD23 LEU 65 HD23 LEU 65 -11.557 8.394 5.240 518 H GLY 66 HN GLY 66 -17.025 10.708 6.377 519 HA2 GLY 66 HA2 GLY 66 -18.502 12.372 7.439 520 HA3 GLY 66 HA1 GLY 66 -17.450 13.608 6.765 521 H TYR 67 HN TYR 67 -18.363 10.765 4.956 522 HA TYR 67 HA TYR 67 -20.333 12.313 3.430 523 HB2 TYR 67 HB2 TYR 67 -18.069 10.744 2.178 524 HB3 TYR 67 HB1 TYR 67 -19.357 11.570 1.307 525 HD1 TYR 67 HD1 TYR 67 -19.423 14.032 1.235 526 HD2 TYR 67 HD2 TYR 67 -16.198 11.951 3.072 527 HE1 TYR 67 HE1 TYR 67 -18.072 16.086 1.174 528 HE2 TYR 67 HE2 TYR 67 -14.838 14.000 3.017 529 HH TYR 67 HH TYR 67 -16.158 17.063 2.319 530 H MET 68 HN MET 68 -22.084 11.124 4.006 531 HA MET 68 HA MET 68 -22.023 8.263 4.167 532 HB2 MET 68 HB2 MET 68 -24.318 10.226 4.246 533 HB3 MET 68 HB1 MET 68 -24.492 8.496 4.502 534 HG2 MET 68 HG2 MET 68 -24.443 9.523 6.631 535 HG3 MET 68 HG1 MET 68 -22.899 8.701 6.414 536 HE1 MET 68 HE1 MET 68 -24.771 12.129 6.557 537 HE2 MET 68 HE2 MET 68 -24.140 12.133 4.910 538 HE3 MET 68 HE3 MET 68 -23.501 13.265 6.101 539 HA PRO 69 HA PRO 69 -22.896 7.952 -0.260 540 HB2 PRO 69 HB2 PRO 69 -22.035 5.237 -0.208 541 HB3 PRO 69 HB1 PRO 69 -21.136 6.638 -0.789 542 HG2 PRO 69 HG2 PRO 69 -20.475 5.121 1.438 543 HG3 PRO 69 HG1 PRO 69 -19.900 6.764 1.110 544 HD2 PRO 69 HD2 PRO 69 -22.103 5.844 2.908 545 HD3 PRO 69 HD1 PRO 69 -20.938 7.168 3.130 546 H ASN 70 HN ASN 70 -24.721 7.329 -1.244 547 HA ASN 70 HA ASN 70 -26.666 5.790 0.226 548 HB2 ASN 70 HB2 ASN 70 -26.811 6.983 -2.552 549 HB3 ASN 70 HB1 ASN 70 -28.168 6.331 -1.640 550 HD21 ASN 70 HD21 ASN 70 -27.284 9.077 -2.685 551 HD22 ASN 70 HD22 ASN 70 -27.565 10.122 -1.338 552 H GLU 71 HN GLU 71 -28.054 4.337 -1.514 553 HA GLU 71 HA GLU 71 -26.611 1.957 -1.769 554 HB2 GLU 71 HB2 GLU 71 -29.049 2.683 -3.391 555 HB3 GLU 71 HB1 GLU 71 -28.519 1.076 -2.914 556 HG2 GLU 71 HG2 GLU 71 -29.453 3.216 -1.018 557 HG3 GLU 71 HG1 GLU 71 -30.447 1.893 -1.627 558 H VAL 72 HN VAL 72 -27.839 3.990 -4.430 559 HA VAL 72 HA VAL 72 -26.397 2.725 -6.450 560 HB VAL 72 HB VAL 72 -26.962 4.781 -7.736 561 HG11 VAL 72 HG11 VAL 72 -29.201 3.518 -6.178 562 HG12 VAL 72 HG12 VAL 72 -28.484 2.891 -7.663 563 HG13 VAL 72 HG13 VAL 72 -29.382 4.408 -7.691 564 HG21 VAL 72 HG21 VAL 72 -26.829 6.414 -5.953 565 HG22 VAL 72 HG22 VAL 72 -28.184 5.640 -5.128 566 HG23 VAL 72 HG23 VAL 72 -28.436 6.439 -6.680 567 H GLU 73 HN GLU 73 -25.434 5.038 -4.100 568 HA GLU 73 HA GLU 73 -23.322 6.246 -5.596 569 HB2 GLU 73 HB2 GLU 73 -23.855 6.134 -2.625 570 HB3 GLU 73 HB1 GLU 73 -22.575 7.088 -3.363 571 HG2 GLU 73 HG2 GLU 73 -25.524 7.408 -3.876 572 HG3 GLU 73 HG1 GLU 73 -24.535 8.439 -2.842 573 H LEU 74 HN LEU 74 -23.246 3.966 -2.845 574 HA LEU 74 HA LEU 74 -20.519 3.435 -2.925 575 HB2 LEU 74 HB2 LEU 74 -21.165 1.249 -1.803 576 HB3 LEU 74 HB1 LEU 74 -21.662 2.731 -1.011 577 HG LEU 74 HG LEU 74 -23.906 2.332 -2.310 578 HD11 LEU 74 HD11 LEU 74 -22.966 0.402 -3.584 579 HD12 LEU 74 HD12 LEU 74 -24.453 0.047 -2.705 580 HD13 LEU 74 HD13 LEU 74 -22.902 -0.493 -2.065 581 HD21 LEU 74 HD21 LEU 74 -23.090 0.723 0.105 582 HD22 LEU 74 HD22 LEU 74 -24.749 1.060 -0.392 583 HD23 LEU 74 HD23 LEU 74 -23.693 2.380 0.107 584 H GLU 75 HN GLU 75 -22.905 2.541 -5.162 585 HA GLU 75 HA GLU 75 -21.566 0.176 -6.126 586 HB2 GLU 75 HB2 GLU 75 -23.904 1.760 -7.193 587 HB3 GLU 75 HB1 GLU 75 -23.285 0.300 -7.954 588 HG2 GLU 75 HG2 GLU 75 -23.806 -0.989 -5.970 589 HG3 GLU 75 HG1 GLU 75 -24.361 0.467 -5.146 590 H VAL 76 HN VAL 76 -21.859 3.565 -7.128 591 HA VAL 76 HA VAL 76 -20.427 3.151 -9.579 592 HB VAL 76 HB VAL 76 -20.439 5.565 -9.841 593 HG11 VAL 76 HG11 VAL 76 -23.073 4.535 -8.799 594 HG12 VAL 76 HG12 VAL 76 -22.453 4.327 -10.436 595 HG13 VAL 76 HG13 VAL 76 -22.851 5.939 -9.842 596 HG21 VAL 76 HG21 VAL 76 -21.280 7.070 -8.179 597 HG22 VAL 76 HG22 VAL 76 -20.007 6.096 -7.443 598 HG23 VAL 76 HG23 VAL 76 -21.701 5.734 -7.110 599 H ILE 77 HN ILE 77 -19.558 3.852 -6.313 600 HA ILE 77 HA ILE 77 -16.929 4.852 -6.951 601 HB ILE 77 HB ILE 77 -18.017 3.929 -4.290 602 HG12 ILE 77 HG12 ILE 77 -17.702 6.808 -4.849 603 HG13 ILE 77 HG11 ILE 77 -18.977 6.008 -5.763 604 HG21 ILE 77 HG21 ILE 77 -15.595 3.994 -4.326 605 HG22 ILE 77 HG22 ILE 77 -16.220 5.326 -3.353 606 HG23 ILE 77 HG23 ILE 77 -15.627 5.629 -4.987 607 HD11 ILE 77 HD11 ILE 77 -18.696 6.029 -2.769 608 HD12 ILE 77 HD12 ILE 77 -19.967 5.213 -3.681 609 HD13 ILE 77 HD13 ILE 77 -19.843 6.972 -3.721 610 H ILE 78 HN ILE 78 -18.373 1.795 -6.027 611 HA ILE 78 HA ILE 78 -15.914 0.458 -5.479 612 HB ILE 78 HB ILE 78 -18.754 -0.422 -5.807 613 HG12 ILE 78 HG12 ILE 78 -17.920 0.529 -3.668 614 HG13 ILE 78 HG11 ILE 78 -18.497 -1.125 -3.507 615 HG21 ILE 78 HG21 ILE 78 -17.575 -2.178 -6.938 616 HG22 ILE 78 HG22 ILE 78 -18.044 -2.757 -5.340 617 HG23 ILE 78 HG23 ILE 78 -16.378 -2.268 -5.647 618 HD11 ILE 78 HD11 ILE 78 -16.122 -1.880 -3.652 619 HD12 ILE 78 HD12 ILE 78 -16.506 -0.910 -2.232 620 HD13 ILE 78 HD13 ILE 78 -15.645 -0.183 -3.587 621 H GLN 79 HN GLN 79 -17.770 1.024 -8.393 622 HA GLN 79 HA GLN 79 -16.621 -1.119 -9.891 623 HB2 GLN 79 HB2 GLN 79 -17.611 -0.051 -11.837 624 HB3 GLN 79 HB1 GLN 79 -18.768 -0.091 -10.514 625 HG2 GLN 79 HG2 GLN 79 -18.435 2.225 -10.061 626 HG3 GLN 79 HG1 GLN 79 -17.087 2.308 -11.192 627 HE21 GLN 79 HE21 GLN 79 -18.032 3.924 -12.414 628 HE22 GLN 79 HE22 GLN 79 -19.396 3.640 -13.437 629 H ARG 80 HN ARG 80 -15.416 1.832 -8.799 630 HA ARG 80 HA ARG 80 -13.591 2.276 -11.000 631 HB2 ARG 80 HB2 ARG 80 -13.689 3.578 -8.273 632 HB3 ARG 80 HB1 ARG 80 -12.738 4.128 -9.646 633 HG2 ARG 80 HG2 ARG 80 -15.746 3.999 -9.554 634 HG3 ARG 80 HG1 ARG 80 -14.773 5.452 -9.319 635 HD2 ARG 80 HD2 ARG 80 -13.865 5.206 -11.580 636 HD3 ARG 80 HD1 ARG 80 -14.840 3.754 -11.813 637 HE ARG 80 HE ARG 80 -16.547 5.847 -11.097 638 HH11 ARG 80 HH11 ARG 80 -14.466 4.917 -13.733 639 HH12 ARG 80 HH12 ARG 80 -15.400 5.747 -14.931 640 HH21 ARG 80 HH21 ARG 80 -17.781 6.943 -12.668 641 HH22 ARG 80 HH22 ARG 80 -17.285 6.899 -14.326 642 H LEU 81 HN LEU 81 -13.450 1.056 -7.687 643 HA LEU 81 HA LEU 81 -10.606 0.600 -7.809 644 HB2 LEU 81 HB2 LEU 81 -12.716 -0.136 -5.786 645 HB3 LEU 81 HB1 LEU 81 -11.032 -0.589 -5.611 646 HG LEU 81 HG LEU 81 -10.507 1.911 -5.756 647 HD11 LEU 81 HD11 LEU 81 -12.324 3.409 -5.083 648 HD12 LEU 81 HD12 LEU 81 -13.467 2.072 -5.208 649 HD13 LEU 81 HD13 LEU 81 -12.637 2.661 -6.649 650 HD21 LEU 81 HD21 LEU 81 -10.949 2.237 -3.389 651 HD22 LEU 81 HD22 LEU 81 -10.389 0.592 -3.692 652 HD23 LEU 81 HD23 LEU 81 -12.101 0.901 -3.404 653 H ASP 82 HN ASP 82 -13.510 -1.445 -7.698 654 HA ASP 82 HA ASP 82 -12.126 -3.898 -7.991 655 HB2 ASP 82 HB2 ASP 82 -14.432 -3.652 -7.068 656 HB3 ASP 82 HB1 ASP 82 -15.003 -3.292 -8.695 657 H MET 83 HN MET 83 -10.693 -3.658 -9.719 658 HA MET 83 HA MET 83 -11.500 -2.890 -12.330 659 HB2 MET 83 HB2 MET 83 -9.060 -4.397 -11.385 660 HB3 MET 83 HB1 MET 83 -9.278 -3.773 -13.014 661 HG2 MET 83 HG2 MET 83 -9.178 -2.128 -10.496 662 HG3 MET 83 HG1 MET 83 -7.874 -2.313 -11.669 663 HE1 MET 83 HE1 MET 83 -8.057 -1.440 -14.212 664 HE2 MET 83 HE2 MET 83 -9.484 -0.622 -14.848 665 HE3 MET 83 HE3 MET 83 -9.572 -2.324 -14.393 666 H ASP 84 HN ASP 84 -10.711 -6.088 -10.946 667 HA ASP 84 HA ASP 84 -11.352 -7.501 -13.320 668 HB2 ASP 84 HB2 ASP 84 -11.238 -9.521 -11.905 669 HB3 ASP 84 HB1 ASP 84 -9.851 -8.462 -11.671 670 H GLY 85 HN GLY 85 -13.269 -6.267 -10.733 671 HA2 GLY 85 HA2 GLY 85 -15.576 -6.077 -10.642 672 HA3 GLY 85 HA1 GLY 85 -15.680 -7.035 -12.108 673 H ASP 86 HN ASP 86 -14.235 -7.849 -8.956 674 HA ASP 86 HA ASP 86 -15.778 -10.319 -8.953 675 HB2 ASP 86 HB2 ASP 86 -14.350 -10.980 -7.074 676 HB3 ASP 86 HB1 ASP 86 -13.380 -10.432 -8.437 677 H GLY 87 HN GLY 87 -16.691 -7.413 -8.218 678 HA2 GLY 87 HA2 GLY 87 -18.507 -6.712 -6.956 679 HA3 GLY 87 HA1 GLY 87 -18.526 -8.282 -6.170 680 H GLN 88 HN GLN 88 -15.546 -7.835 -5.601 681 HA GLN 88 HA GLN 88 -15.861 -5.907 -3.400 682 HB2 GLN 88 HB2 GLN 88 -14.498 -8.600 -3.239 683 HB3 GLN 88 HB1 GLN 88 -14.557 -7.406 -1.948 684 HG2 GLN 88 HG2 GLN 88 -16.936 -7.643 -1.759 685 HG3 GLN 88 HG1 GLN 88 -16.983 -8.702 -3.167 686 HE21 GLN 88 HE21 GLN 88 -17.876 -9.178 -0.429 687 HE22 GLN 88 HE22 GLN 88 -17.023 -10.578 0.116 688 H VAL 89 HN VAL 89 -13.783 -5.125 -2.518 689 HA VAL 89 HA VAL 89 -11.875 -4.705 -4.701 690 HB VAL 89 HB VAL 89 -12.131 -3.229 -2.076 691 HG11 VAL 89 HG11 VAL 89 -10.483 -2.640 -4.532 692 HG12 VAL 89 HG12 VAL 89 -9.875 -3.116 -2.946 693 HG13 VAL 89 HG13 VAL 89 -10.674 -1.558 -3.153 694 HG21 VAL 89 HG21 VAL 89 -13.050 -2.462 -4.845 695 HG22 VAL 89 HG22 VAL 89 -13.105 -1.422 -3.422 696 HG23 VAL 89 HG23 VAL 89 -14.085 -2.886 -3.483 697 H ASP 90 HN ASP 90 -9.959 -5.669 -4.708 698 HA ASP 90 HA ASP 90 -9.128 -7.230 -2.409 699 HB2 ASP 90 HB2 ASP 90 -9.012 -8.197 -4.677 700 HB3 ASP 90 HB1 ASP 90 -7.852 -6.956 -5.138 701 H PHE 91 HN PHE 91 -7.043 -7.080 -1.447 702 HA PHE 91 HA PHE 91 -6.245 -4.552 -0.681 703 HB2 PHE 91 HB2 PHE 91 -5.619 -6.481 0.614 704 HB3 PHE 91 HB1 PHE 91 -4.677 -7.134 -0.721 705 HD1 PHE 91 HD2 PHE 91 -4.848 -3.938 1.212 706 HD2 PHE 91 HD1 PHE 91 -2.410 -6.984 -0.490 707 HE1 PHE 91 HE2 PHE 91 -2.841 -2.815 2.084 708 HE2 PHE 91 HE1 PHE 91 -0.398 -5.866 0.380 709 HZ PHE 91 HZ PHE 91 -0.612 -3.778 1.669 710 H GLU 92 HN GLU 92 -4.635 -6.656 -3.068 711 HA GLU 92 HA GLU 92 -2.548 -5.024 -3.796 712 HB2 GLU 92 HB2 GLU 92 -4.177 -6.863 -5.552 713 HB3 GLU 92 HB1 GLU 92 -2.626 -6.171 -6.006 714 HG2 GLU 92 HG2 GLU 92 -1.591 -7.306 -4.077 715 HG3 GLU 92 HG1 GLU 92 -3.147 -8.055 -3.718 716 H GLU 93 HN GLU 93 -5.674 -5.178 -5.522 717 HA GLU 93 HA GLU 93 -5.254 -3.138 -7.315 718 HB2 GLU 93 HB2 GLU 93 -7.844 -3.846 -5.926 719 HB3 GLU 93 HB1 GLU 93 -7.707 -2.895 -7.400 720 HG2 GLU 93 HG2 GLU 93 -6.868 -4.764 -8.617 721 HG3 GLU 93 HG1 GLU 93 -6.720 -5.723 -7.145 722 H PHE 94 HN PHE 94 -6.021 -2.881 -3.911 723 HA PHE 94 HA PHE 94 -6.552 -0.029 -4.117 724 HB2 PHE 94 HB2 PHE 94 -7.893 -1.446 -2.594 725 HB3 PHE 94 HB1 PHE 94 -6.440 -1.800 -1.668 726 HD1 PHE 94 HD1 PHE 94 -8.224 1.214 -2.968 727 HD2 PHE 94 HD2 PHE 94 -6.188 -0.631 0.281 728 HE1 PHE 94 HE1 PHE 94 -8.631 3.208 -1.586 729 HE2 PHE 94 HE2 PHE 94 -6.590 1.361 1.668 730 HZ PHE 94 HZ PHE 94 -7.812 3.283 0.735 731 H VAL 95 HN VAL 95 -3.891 -2.109 -3.426 732 HA VAL 95 HA VAL 95 -2.401 -0.306 -1.806 733 HB VAL 95 HB VAL 95 -2.097 -2.900 -2.233 734 HG11 VAL 95 HG11 VAL 95 -1.470 -2.505 -4.639 735 HG12 VAL 95 HG12 VAL 95 -0.333 -3.480 -3.711 736 HG13 VAL 95 HG13 VAL 95 0.029 -1.789 -4.050 737 HG21 VAL 95 HG21 VAL 95 -0.961 -1.602 -0.517 738 HG22 VAL 95 HG22 VAL 95 0.198 -1.016 -1.710 739 HG23 VAL 95 HG23 VAL 95 0.155 -2.728 -1.290 740 H THR 96 HN THR 96 -2.852 -0.641 -5.235 741 HA THR 96 HA THR 96 -0.564 1.046 -5.853 742 HB THR 96 HB THR 96 -2.652 -0.122 -7.703 743 HG1 THR 96 HG1 THR 96 -1.413 -1.846 -7.762 744 HG21 THR 96 HG21 THR 96 -1.027 0.399 -9.480 745 HG22 THR 96 HG22 THR 96 0.001 1.199 -8.290 746 HG23 THR 96 HG23 THR 96 -1.594 1.854 -8.659 747 H LEU 97 HN LEU 97 -4.094 1.200 -5.884 748 HA LEU 97 HA LEU 97 -4.460 3.620 -7.180 749 HB2 LEU 97 HB2 LEU 97 -6.012 2.377 -4.915 750 HB3 LEU 97 HB1 LEU 97 -6.546 3.807 -5.777 751 HG LEU 97 HG LEU 97 -6.022 1.163 -7.128 752 HD11 LEU 97 HD11 LEU 97 -8.641 2.309 -6.169 753 HD12 LEU 97 HD12 LEU 97 -7.813 0.907 -5.491 754 HD13 LEU 97 HD13 LEU 97 -8.440 0.849 -7.138 755 HD21 LEU 97 HD21 LEU 97 -7.333 2.141 -8.940 756 HD22 LEU 97 HD22 LEU 97 -5.912 3.123 -8.580 757 HD23 LEU 97 HD23 LEU 97 -7.504 3.635 -8.017 758 H LEU 98 HN LEU 98 -3.303 3.009 -3.948 759 HA LEU 98 HA LEU 98 -3.390 5.887 -3.360 760 HB2 LEU 98 HB2 LEU 98 -2.907 5.220 -1.024 761 HB3 LEU 98 HB1 LEU 98 -4.415 4.578 -1.644 762 HG LEU 98 HG LEU 98 -2.970 2.451 -2.159 763 HD11 LEU 98 HD11 LEU 98 -1.225 2.106 -0.451 764 HD12 LEU 98 HD12 LEU 98 -1.377 3.800 0.015 765 HD13 LEU 98 HD13 LEU 98 -0.814 3.376 -1.602 766 HD21 LEU 98 HD21 LEU 98 -4.864 2.550 -0.619 767 HD22 LEU 98 HD22 LEU 98 -3.808 3.194 0.640 768 HD23 LEU 98 HD23 LEU 98 -3.557 1.558 0.027 769 H GLY 99 HN GLY 99 -1.302 3.505 -4.452 770 HA2 GLY 99 HA2 GLY 99 1.084 4.689 -3.258 771 HA3 GLY 99 HA1 GLY 99 1.031 3.246 -4.257 772 HA PRO 100 HA PRO 100 1.641 7.352 -6.807 773 HB2 PRO 100 HB2 PRO 100 4.168 8.188 -6.249 774 HB3 PRO 100 HB1 PRO 100 2.740 8.815 -5.418 775 HG2 PRO 100 HG2 PRO 100 4.680 6.713 -4.529 776 HG3 PRO 100 HG1 PRO 100 3.968 8.045 -3.598 777 HD2 PRO 100 HD2 PRO 100 3.048 5.511 -3.427 778 HD3 PRO 100 HD1 PRO 100 1.981 6.920 -3.267 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 7.066 26.886 -29.619 2 H2 MET 1 HT2 MET 1 7.701 28.453 -29.605 3 H3 MET 1 HT3 MET 1 8.419 27.259 -30.565 4 HA MET 1 HA MET 1 5.733 28.447 -30.921 5 HB2 MET 1 HB2 MET 1 8.244 28.566 -32.602 6 HB3 MET 1 HB1 MET 1 6.681 29.199 -33.096 7 HG2 MET 1 HG2 MET 1 7.923 31.041 -32.337 8 HG3 MET 1 HG1 MET 1 6.762 30.677 -31.063 9 HE1 MET 1 HE1 MET 1 10.509 30.449 -32.204 10 HE2 MET 1 HE2 MET 1 10.102 28.757 -31.918 11 HE3 MET 1 HE3 MET 1 11.244 29.582 -30.856 12 HA PRO 2 HA PRO 2 5.745 24.094 -32.618 13 HB2 PRO 2 HB2 PRO 2 3.413 23.311 -31.491 14 HB3 PRO 2 HB1 PRO 2 4.962 23.194 -30.649 15 HG2 PRO 2 HG2 PRO 2 2.822 25.273 -30.400 16 HG3 PRO 2 HG1 PRO 2 3.770 24.482 -29.125 17 HD2 PRO 2 HD2 PRO 2 4.334 26.970 -30.060 18 HD3 PRO 2 HD1 PRO 2 5.578 25.868 -29.439 19 H PHE 3 HN PHE 3 5.302 24.555 -34.718 20 HA PHE 3 HA PHE 3 2.780 25.809 -35.442 21 HB2 PHE 3 HB2 PHE 3 4.819 26.541 -36.583 22 HB3 PHE 3 HB1 PHE 3 5.102 24.901 -37.157 23 HD1 PHE 3 HD1 PHE 3 2.734 27.744 -37.364 24 HD2 PHE 3 HD2 PHE 3 4.147 24.149 -39.150 25 HE1 PHE 3 HE1 PHE 3 1.398 28.221 -39.374 26 HE2 PHE 3 HE2 PHE 3 2.815 24.620 -41.164 27 HZ PHE 3 HZ PHE 3 1.437 26.659 -41.277 28 H HIS 4 HN HIS 4 4.242 22.671 -35.359 29 HA HIS 4 HA HIS 4 2.212 21.504 -37.088 30 HB2 HIS 4 HB2 HIS 4 4.467 20.160 -35.583 31 HB3 HIS 4 HB1 HIS 4 3.453 19.419 -36.817 32 HD1 HIS 4 HD1 HIS 4 6.309 21.789 -36.375 33 HD2 HIS 4 HD2 HIS 4 4.099 20.091 -39.458 34 HE1 HIS 4 HE1 HIS 4 7.592 22.293 -38.480 35 HE2 HIS 4 HE2 HIS 4 6.198 21.319 -40.339 36 HA PRO 5 HA PRO 5 -0.524 20.628 -33.679 37 HB2 PRO 5 HB2 PRO 5 -1.537 18.452 -35.407 38 HB3 PRO 5 HB1 PRO 5 -2.402 19.820 -34.699 39 HG2 PRO 5 HG2 PRO 5 -1.854 19.735 -37.314 40 HG3 PRO 5 HG1 PRO 5 -1.793 21.259 -36.407 41 HD2 PRO 5 HD2 PRO 5 0.454 19.496 -37.309 42 HD3 PRO 5 HD1 PRO 5 0.345 21.269 -37.305 43 H VAL 6 HN VAL 6 -0.378 19.333 -31.939 44 HA VAL 6 HA VAL 6 1.186 16.857 -32.212 45 HB VAL 6 HB VAL 6 1.700 17.061 -29.826 46 HG11 VAL 6 HG11 VAL 6 2.291 19.592 -31.356 47 HG12 VAL 6 HG12 VAL 6 3.197 18.082 -31.472 48 HG13 VAL 6 HG13 VAL 6 3.183 18.989 -29.960 49 HG21 VAL 6 HG21 VAL 6 0.144 19.641 -29.976 50 HG22 VAL 6 HG22 VAL 6 1.108 19.104 -28.601 51 HG23 VAL 6 HG23 VAL 6 -0.320 18.191 -29.084 52 H THR 7 HN THR 7 0.582 15.591 -29.875 53 HA THR 7 HA THR 7 -2.138 14.694 -30.407 54 HB THR 7 HB THR 7 -0.075 13.513 -28.538 55 HG1 THR 7 HG1 THR 7 -0.499 11.966 -30.631 56 HG21 THR 7 HG21 THR 7 -2.655 12.379 -29.625 57 HG22 THR 7 HG22 THR 7 -2.367 12.886 -27.961 58 HG23 THR 7 HG23 THR 7 -1.490 11.509 -28.628 59 H ALA 8 HN ALA 8 -0.292 15.150 -27.385 60 HA ALA 8 HA ALA 8 -2.689 16.410 -26.221 61 HB1 ALA 8 HB1 ALA 8 -2.445 14.119 -25.391 62 HB2 ALA 8 HB2 ALA 8 -2.214 15.304 -24.105 63 HB3 ALA 8 HB3 ALA 8 -0.819 14.500 -24.824 64 H ALA 9 HN ALA 9 -2.382 18.176 -24.949 65 HA ALA 9 HA ALA 9 0.101 19.573 -25.210 66 HB1 ALA 9 HB1 ALA 9 -1.015 21.358 -23.963 67 HB2 ALA 9 HB2 ALA 9 -2.360 20.273 -23.612 68 HB3 ALA 9 HB3 ALA 9 -2.028 20.758 -25.275 69 H LEU 10 HN LEU 10 -1.082 17.317 -22.985 70 HA LEU 10 HA LEU 10 0.085 18.245 -20.589 71 HB2 LEU 10 HB2 LEU 10 -0.655 15.482 -21.536 72 HB3 LEU 10 HB1 LEU 10 -0.010 15.791 -19.936 73 HG LEU 10 HG LEU 10 -1.958 17.339 -19.543 74 HD11 LEU 10 HD11 LEU 10 -2.571 17.802 -21.833 75 HD12 LEU 10 HD12 LEU 10 -3.923 17.040 -20.996 76 HD13 LEU 10 HD13 LEU 10 -2.931 16.098 -22.111 77 HD21 LEU 10 HD21 LEU 10 -3.537 15.529 -19.116 78 HD22 LEU 10 HD22 LEU 10 -1.900 15.068 -18.651 79 HD23 LEU 10 HD23 LEU 10 -2.594 14.456 -20.151 80 H MET 11 HN MET 11 1.940 17.239 -19.468 81 HA MET 11 HA MET 11 4.186 16.879 -19.337 82 HB2 MET 11 HB2 MET 11 3.573 15.152 -21.744 83 HB3 MET 11 HB1 MET 11 5.103 15.135 -20.879 84 HG2 MET 11 HG2 MET 11 2.448 14.509 -19.615 85 HG3 MET 11 HG1 MET 11 3.545 13.296 -20.272 86 HE1 MET 11 HE1 MET 11 6.387 14.408 -19.511 87 HE2 MET 11 HE2 MET 11 5.915 12.727 -19.265 88 HE3 MET 11 HE3 MET 11 6.661 13.636 -17.950 89 H TYR 12 HN TYR 12 3.827 19.280 -20.267 90 HA TYR 12 HA TYR 12 4.905 19.745 -22.877 91 HB2 TYR 12 HB2 TYR 12 3.295 21.232 -21.475 92 HB3 TYR 12 HB1 TYR 12 4.769 21.838 -20.729 93 HD1 TYR 12 HD1 TYR 12 2.994 21.486 -23.959 94 HD2 TYR 12 HD2 TYR 12 6.122 23.435 -21.833 95 HE1 TYR 12 HE1 TYR 12 3.281 23.052 -25.832 96 HE2 TYR 12 HE2 TYR 12 6.417 25.009 -23.701 97 HH TYR 12 HH TYR 12 5.962 25.068 -26.148 98 H ARG 13 HN ARG 13 6.209 19.581 -19.636 99 HA ARG 13 HA ARG 13 8.892 20.002 -20.766 100 HB2 ARG 13 HB2 ARG 13 9.565 21.159 -18.703 101 HB3 ARG 13 HB1 ARG 13 8.284 22.019 -19.546 102 HG2 ARG 13 HG2 ARG 13 6.642 21.063 -17.984 103 HG3 ARG 13 HG1 ARG 13 7.958 20.266 -17.119 104 HD2 ARG 13 HD2 ARG 13 7.328 22.319 -15.990 105 HD3 ARG 13 HD1 ARG 13 8.959 22.454 -16.645 106 HE ARG 13 HE ARG 13 7.648 23.594 -18.596 107 HH11 ARG 13 HH11 ARG 13 7.057 23.898 -15.175 108 HH12 ARG 13 HH12 ARG 13 6.422 25.505 -15.297 109 HH21 ARG 13 HH21 ARG 13 6.815 25.712 -18.763 110 HH22 ARG 13 HH22 ARG 13 6.285 26.535 -17.335 111 H GLY 14 HN GLY 14 6.796 18.238 -18.678 112 HA2 GLY 14 HA2 GLY 14 7.136 16.067 -17.896 113 HA3 GLY 14 HA1 GLY 14 8.831 16.196 -18.342 114 H ILE 15 HN ILE 15 10.057 17.884 -16.965 115 HA ILE 15 HA ILE 15 10.115 16.994 -14.322 116 HB ILE 15 HB ILE 15 12.052 18.035 -15.354 117 HG12 ILE 15 HG12 ILE 15 12.675 19.621 -13.512 118 HG13 ILE 15 HG11 ILE 15 11.011 19.540 -12.944 119 HG21 ILE 15 HG21 ILE 15 12.157 20.458 -15.720 120 HG22 ILE 15 HG22 ILE 15 10.455 20.592 -15.279 121 HG23 ILE 15 HG23 ILE 15 10.924 19.691 -16.721 122 HD11 ILE 15 HD11 ILE 15 12.402 18.080 -11.636 123 HD12 ILE 15 HD12 ILE 15 12.968 17.262 -13.090 124 HD13 ILE 15 HD13 ILE 15 11.282 17.118 -12.599 125 H TYR 16 HN TYR 16 9.231 17.697 -12.439 126 HA TYR 16 HA TYR 16 6.950 19.469 -12.650 127 HB2 TYR 16 HB2 TYR 16 6.531 18.815 -10.293 128 HB3 TYR 16 HB1 TYR 16 6.675 17.430 -11.370 129 HD1 TYR 16 HD1 TYR 16 8.663 15.984 -11.272 130 HD2 TYR 16 HD2 TYR 16 8.129 19.201 -8.540 131 HE1 TYR 16 HE1 TYR 16 10.389 15.020 -9.810 132 HE2 TYR 16 HE2 TYR 16 9.854 18.248 -7.071 133 HH TYR 16 HH TYR 16 11.944 15.762 -8.059 134 H THR 17 HN THR 17 6.752 21.466 -11.802 135 HA THR 17 HA THR 17 9.046 22.566 -10.316 136 HB THR 17 HB THR 17 8.738 24.715 -11.483 137 HG1 THR 17 HG1 THR 17 6.452 24.037 -12.103 138 HG21 THR 17 HG21 THR 17 9.676 24.047 -13.650 139 HG22 THR 17 HG22 THR 17 9.181 22.381 -13.351 140 HG23 THR 17 HG23 THR 17 10.404 23.135 -12.328 141 H VAL 18 HN VAL 18 6.280 21.535 -9.635 142 HA VAL 18 HA VAL 18 4.743 23.788 -8.800 143 HB VAL 18 HB VAL 18 4.543 20.926 -7.857 144 HG11 VAL 18 HG11 VAL 18 3.352 22.458 -6.406 145 HG12 VAL 18 HG12 VAL 18 2.208 21.507 -7.353 146 HG13 VAL 18 HG13 VAL 18 2.545 23.181 -7.797 147 HG21 VAL 18 HG21 VAL 18 4.381 21.017 -10.268 148 HG22 VAL 18 HG22 VAL 18 3.182 22.306 -10.165 149 HG23 VAL 18 HG23 VAL 18 2.794 20.690 -9.573 150 HA PRO 19 HA PRO 19 6.941 24.578 -5.003 151 HB2 PRO 19 HB2 PRO 19 4.701 26.172 -4.089 152 HB3 PRO 19 HB1 PRO 19 6.277 26.714 -4.662 153 HG2 PRO 19 HG2 PRO 19 3.957 27.137 -6.031 154 HG3 PRO 19 HG1 PRO 19 5.543 26.997 -6.812 155 HD2 PRO 19 HD2 PRO 19 3.379 24.941 -6.534 156 HD3 PRO 19 HD1 PRO 19 4.410 25.309 -7.933 157 H ASN 20 HN ASN 20 3.414 24.215 -4.582 158 HA ASN 20 HA ASN 20 3.695 23.120 -1.952 159 HB2 ASN 20 HB2 ASN 20 1.309 23.274 -3.808 160 HB3 ASN 20 HB1 ASN 20 1.236 22.740 -2.132 161 HD21 ASN 20 HD21 ASN 20 3.208 24.657 -1.219 162 HD22 ASN 20 HD22 ASN 20 2.425 26.196 -1.210 163 H LEU 21 HN LEU 21 5.185 21.382 -2.529 164 HA LEU 21 HA LEU 21 3.872 19.082 -3.806 165 HB2 LEU 21 HB2 LEU 21 6.452 20.203 -4.083 166 HB3 LEU 21 HB1 LEU 21 6.655 18.640 -3.311 167 HG LEU 21 HG LEU 21 4.898 18.075 -5.351 168 HD11 LEU 21 HD11 LEU 21 5.792 19.075 -7.356 169 HD12 LEU 21 HD12 LEU 21 6.956 20.004 -6.410 170 HD13 LEU 21 HD13 LEU 21 5.230 20.341 -6.261 171 HD21 LEU 21 HD21 LEU 21 6.791 16.721 -4.670 172 HD22 LEU 21 HD22 LEU 21 7.907 17.908 -5.343 173 HD23 LEU 21 HD23 LEU 21 6.832 17.004 -6.409 174 H LEU 22 HN LEU 22 3.228 19.779 -1.136 175 HA LEU 22 HA LEU 22 4.599 17.716 0.443 176 HB2 LEU 22 HB2 LEU 22 3.859 18.815 2.407 177 HB3 LEU 22 HB1 LEU 22 4.481 20.056 1.340 178 HG LEU 22 HG LEU 22 1.538 19.442 1.584 179 HD11 LEU 22 HD11 LEU 22 1.375 21.349 3.082 180 HD12 LEU 22 HD12 LEU 22 3.127 21.550 3.041 181 HD13 LEU 22 HD13 LEU 22 2.422 20.108 3.771 182 HD21 LEU 22 HD21 LEU 22 2.126 20.616 -0.437 183 HD22 LEU 22 HD22 LEU 22 3.081 21.785 0.477 184 HD23 LEU 22 HD23 LEU 22 1.328 21.732 0.670 185 H SER 23 HN SER 23 1.621 18.508 -1.072 186 HA SER 23 HA SER 23 0.202 16.398 0.392 187 HB2 SER 23 HB2 SER 23 -0.846 18.507 -1.512 188 HB3 SER 23 HB1 SER 23 -1.837 17.315 -0.672 189 HG SER 23 HG SER 23 -0.557 18.361 1.248 190 H GLU 24 HN GLU 24 1.176 17.383 -2.852 191 HA GLU 24 HA GLU 24 0.025 15.008 -4.050 192 HB2 GLU 24 HB2 GLU 24 1.651 17.281 -5.197 193 HB3 GLU 24 HB1 GLU 24 1.074 15.923 -6.151 194 HG2 GLU 24 HG2 GLU 24 -0.403 17.778 -6.456 195 HG3 GLU 24 HG1 GLU 24 -1.242 16.525 -5.543 196 H GLN 25 HN GLN 25 2.416 15.124 -2.080 197 HA GLN 25 HA GLN 25 4.671 14.160 -3.509 198 HB2 GLN 25 HB2 GLN 25 4.838 15.167 -1.266 199 HB3 GLN 25 HB1 GLN 25 3.954 13.804 -0.592 200 HG2 GLN 25 HG2 GLN 25 5.762 12.302 -1.306 201 HG3 GLN 25 HG1 GLN 25 6.655 13.695 -1.916 202 HE21 GLN 25 HE21 GLN 25 7.574 15.142 -0.463 203 HE22 GLN 25 HE22 GLN 25 7.792 14.755 1.207 204 H ARG 26 HN ARG 26 4.919 12.258 -4.451 205 HA ARG 26 HA ARG 26 3.054 10.110 -3.951 206 HB2 ARG 26 HB2 ARG 26 5.427 10.277 -5.819 207 HB3 ARG 26 HB1 ARG 26 4.254 8.967 -5.787 208 HG2 ARG 26 HG2 ARG 26 2.519 10.375 -6.560 209 HG3 ARG 26 HG1 ARG 26 3.487 11.827 -6.298 210 HD2 ARG 26 HD2 ARG 26 4.063 9.649 -8.306 211 HD3 ARG 26 HD1 ARG 26 3.382 11.235 -8.668 212 HE ARG 26 HE ARG 26 5.887 11.415 -7.306 213 HH11 ARG 26 HH11 ARG 26 4.410 10.910 -10.424 214 HH12 ARG 26 HH12 ARG 26 5.779 11.495 -11.309 215 HH21 ARG 26 HH21 ARG 26 7.690 12.188 -8.466 216 HH22 ARG 26 HH22 ARG 26 7.642 12.219 -10.196 217 HA PRO 27 HA PRO 27 5.563 7.927 -1.024 218 HB2 PRO 27 HB2 PRO 27 4.398 5.417 -1.995 219 HB3 PRO 27 HB1 PRO 27 4.214 6.201 -0.424 220 HG2 PRO 27 HG2 PRO 27 2.199 6.075 -2.214 221 HG3 PRO 27 HG1 PRO 27 2.402 7.446 -1.109 222 HD2 PRO 27 HD2 PRO 27 3.123 7.223 -4.007 223 HD3 PRO 27 HD1 PRO 27 2.390 8.583 -3.129 224 H VAL 28 HN VAL 28 7.677 7.725 -1.442 225 HA VAL 28 HA VAL 28 8.510 5.678 -3.373 226 HB VAL 28 HB VAL 28 10.448 7.161 -4.004 227 HG11 VAL 28 HG11 VAL 28 7.668 8.085 -4.723 228 HG12 VAL 28 HG12 VAL 28 8.594 6.814 -5.521 229 HG13 VAL 28 HG13 VAL 28 9.136 8.490 -5.612 230 HG21 VAL 28 HG21 VAL 28 10.326 8.729 -2.145 231 HG22 VAL 28 HG22 VAL 28 8.741 9.276 -2.692 232 HG23 VAL 28 HG23 VAL 28 10.169 9.578 -3.683 233 H ASP 29 HN ASP 29 9.963 4.302 -2.597 234 HA ASP 29 HA ASP 29 11.376 3.253 -1.157 235 HB2 ASP 29 HB2 ASP 29 12.427 6.061 -0.753 236 HB3 ASP 29 HB1 ASP 29 13.270 4.578 -0.315 237 H ILE 30 HN ILE 30 8.812 4.311 -0.114 238 HA ILE 30 HA ILE 30 9.321 5.151 2.588 239 HB ILE 30 HB ILE 30 6.719 4.116 1.460 240 HG12 ILE 30 HG12 ILE 30 7.545 5.962 0.070 241 HG13 ILE 30 HG11 ILE 30 6.148 6.469 1.014 242 HG21 ILE 30 HG21 ILE 30 5.724 5.500 3.237 243 HG22 ILE 30 HG22 ILE 30 7.344 5.884 3.819 244 HG23 ILE 30 HG23 ILE 30 6.759 4.221 3.872 245 HD11 ILE 30 HD11 ILE 30 9.024 7.085 1.651 246 HD12 ILE 30 HD12 ILE 30 7.624 7.597 2.593 247 HD13 ILE 30 HD13 ILE 30 7.850 8.198 0.950 248 HA PRO 31 HA PRO 31 10.008 1.058 4.227 249 HB2 PRO 31 HB2 PRO 31 9.459 1.656 6.856 250 HB3 PRO 31 HB1 PRO 31 11.012 1.955 6.070 251 HG2 PRO 31 HG2 PRO 31 8.756 3.845 6.596 252 HG3 PRO 31 HG1 PRO 31 10.504 4.114 6.742 253 HD2 PRO 31 HD2 PRO 31 9.106 5.021 4.635 254 HD3 PRO 31 HD1 PRO 31 10.772 4.431 4.464 255 H GLU 32 HN GLU 32 8.801 -0.682 4.880 256 HA GLU 32 HA GLU 32 6.122 -0.820 4.286 257 HB2 GLU 32 HB2 GLU 32 7.659 -2.752 4.531 258 HB3 GLU 32 HB1 GLU 32 7.582 -2.560 6.277 259 HG2 GLU 32 HG2 GLU 32 5.207 -3.043 6.251 260 HG3 GLU 32 HG1 GLU 32 5.236 -3.167 4.491 261 H ASP 33 HN ASP 33 7.490 0.631 7.017 262 HA ASP 33 HA ASP 33 5.632 0.136 9.032 263 HB2 ASP 33 HB2 ASP 33 7.773 1.355 9.349 264 HB3 ASP 33 HB1 ASP 33 7.086 2.737 8.502 265 H GLU 34 HN GLU 34 5.375 2.086 6.170 266 HA GLU 34 HA GLU 34 2.982 3.434 7.096 267 HB2 GLU 34 HB2 GLU 34 4.093 4.961 5.825 268 HB3 GLU 34 HB1 GLU 34 4.893 3.731 4.857 269 HG2 GLU 34 HG2 GLU 34 3.158 3.580 3.366 270 HG3 GLU 34 HG1 GLU 34 1.983 4.202 4.517 271 H LEU 35 HN LEU 35 3.918 0.669 5.288 272 HA LEU 35 HA LEU 35 1.596 0.364 3.677 273 HB2 LEU 35 HB2 LEU 35 3.799 -0.813 3.349 274 HB3 LEU 35 HB1 LEU 35 3.382 -1.835 4.712 275 HG LEU 35 HG LEU 35 1.211 -2.310 3.307 276 HD11 LEU 35 HD11 LEU 35 3.186 -1.593 1.148 277 HD12 LEU 35 HD12 LEU 35 1.760 -0.646 1.573 278 HD13 LEU 35 HD13 LEU 35 1.575 -2.276 0.925 279 HD21 LEU 35 HD21 LEU 35 2.321 -4.238 2.310 280 HD22 LEU 35 HD22 LEU 35 2.859 -3.979 3.969 281 HD23 LEU 35 HD23 LEU 35 3.893 -3.503 2.622 282 H GLU 36 HN GLU 36 2.386 -0.451 6.977 283 HA GLU 36 HA GLU 36 0.329 -2.300 7.482 284 HB2 GLU 36 HB2 GLU 36 1.669 -0.368 9.383 285 HB3 GLU 36 HB1 GLU 36 0.684 -1.742 9.863 286 HG2 GLU 36 HG2 GLU 36 2.287 -3.259 8.823 287 HG3 GLU 36 HG1 GLU 36 3.275 -1.882 8.337 288 H GLU 37 HN GLU 37 0.405 1.212 7.517 289 HA GLU 37 HA GLU 37 -2.062 1.643 8.807 290 HB2 GLU 37 HB2 GLU 37 -0.340 3.393 8.457 291 HB3 GLU 37 HB1 GLU 37 -0.709 3.384 6.738 292 HG2 GLU 37 HG2 GLU 37 -1.786 5.252 7.813 293 HG3 GLU 37 HG1 GLU 37 -2.996 4.108 7.233 294 H ILE 38 HN ILE 38 -1.261 0.639 5.603 295 HA ILE 38 HA ILE 38 -3.641 1.444 4.293 296 HB ILE 38 HB ILE 38 -1.743 -0.812 3.616 297 HG12 ILE 38 HG12 ILE 38 -1.941 2.005 2.523 298 HG13 ILE 38 HG11 ILE 38 -0.721 1.446 3.661 299 HG21 ILE 38 HG21 ILE 38 -3.927 -1.138 2.575 300 HG22 ILE 38 HG22 ILE 38 -2.713 -0.712 1.371 301 HG23 ILE 38 HG23 ILE 38 -3.870 0.499 1.922 302 HD11 ILE 38 HD11 ILE 38 0.240 1.498 1.482 303 HD12 ILE 38 HD12 ILE 38 -1.096 0.560 0.813 304 HD13 ILE 38 HD13 ILE 38 0.028 -0.189 1.947 305 H ARG 39 HN ARG 39 -2.634 -1.706 5.642 306 HA ARG 39 HA ARG 39 -5.038 -3.043 5.094 307 HB2 ARG 39 HB2 ARG 39 -2.948 -3.551 7.211 308 HB3 ARG 39 HB1 ARG 39 -4.299 -4.632 6.901 309 HG2 ARG 39 HG2 ARG 39 -2.796 -5.655 5.580 310 HG3 ARG 39 HG1 ARG 39 -3.313 -4.433 4.419 311 HD2 ARG 39 HD2 ARG 39 -0.899 -4.534 4.473 312 HD3 ARG 39 HD1 ARG 39 -1.445 -2.996 5.141 313 HE ARG 39 HE ARG 39 -1.132 -4.195 7.381 314 HH11 ARG 39 HH11 ARG 39 0.808 -4.779 4.544 315 HH12 ARG 39 HH12 ARG 39 2.205 -5.269 5.444 316 HH21 ARG 39 HH21 ARG 39 0.700 -4.842 8.571 317 HH22 ARG 39 HH22 ARG 39 2.143 -5.305 7.733 318 H GLU 40 HN GLU 40 -3.937 -2.110 8.354 319 HA GLU 40 HA GLU 40 -6.174 -2.489 9.796 320 HB2 GLU 40 HB2 GLU 40 -4.311 -0.122 9.995 321 HB3 GLU 40 HB1 GLU 40 -5.478 -0.569 11.232 322 HG2 GLU 40 HG2 GLU 40 -3.196 -2.285 10.277 323 HG3 GLU 40 HG1 GLU 40 -3.225 -1.342 11.766 324 H ALA 41 HN ALA 41 -5.733 0.090 7.473 325 HA ALA 41 HA ALA 41 -7.856 1.740 8.316 326 HB1 ALA 41 HB1 ALA 41 -7.671 2.805 6.148 327 HB2 ALA 41 HB2 ALA 41 -6.699 1.460 5.549 328 HB3 ALA 41 HB3 ALA 41 -6.072 2.502 6.827 329 H PHE 42 HN PHE 42 -7.965 0.169 5.143 330 HA PHE 42 HA PHE 42 -10.819 0.026 5.312 331 HB2 PHE 42 HB2 PHE 42 -8.796 -0.580 3.200 332 HB3 PHE 42 HB1 PHE 42 -10.454 -1.136 3.009 333 HD1 PHE 42 HD2 PHE 42 -8.393 1.893 3.553 334 HD2 PHE 42 HD1 PHE 42 -12.134 0.313 2.286 335 HE1 PHE 42 HE2 PHE 42 -9.049 4.117 2.729 336 HE2 PHE 42 HE1 PHE 42 -12.799 2.534 1.461 337 HZ PHE 42 HZ PHE 42 -11.255 4.439 1.683 338 H LYS 43 HN LYS 43 -8.259 -2.200 5.952 339 HA LYS 43 HA LYS 43 -9.628 -4.604 5.442 340 HB2 LYS 43 HB2 LYS 43 -7.105 -4.047 6.179 341 HB3 LYS 43 HB1 LYS 43 -7.749 -4.553 7.735 342 HG2 LYS 43 HG2 LYS 43 -7.387 -6.648 7.128 343 HG3 LYS 43 HG1 LYS 43 -8.634 -6.461 5.892 344 HD2 LYS 43 HD2 LYS 43 -5.705 -5.823 5.540 345 HD3 LYS 43 HD1 LYS 43 -6.511 -7.278 4.951 346 HE2 LYS 43 HE2 LYS 43 -7.186 -4.450 4.137 347 HE3 LYS 43 HE1 LYS 43 -6.219 -5.581 3.190 348 HZ1 LYS 43 HZ1 LYS 43 -8.520 -5.508 2.441 349 HZ2 LYS 43 HZ2 LYS 43 -9.055 -5.989 3.972 350 HZ3 LYS 43 HZ3 LYS 43 -8.124 -7.044 3.032 351 H VAL 44 HN VAL 44 -9.519 -2.526 8.329 352 HA VAL 44 HA VAL 44 -11.040 -4.344 9.923 353 HB VAL 44 HB VAL 44 -11.268 -2.568 11.545 354 HG11 VAL 44 HG11 VAL 44 -9.171 -3.738 11.544 355 HG12 VAL 44 HG12 VAL 44 -8.875 -2.035 11.899 356 HG13 VAL 44 HG13 VAL 44 -8.531 -2.675 10.291 357 HG21 VAL 44 HG21 VAL 44 -10.101 -0.752 9.441 358 HG22 VAL 44 HG22 VAL 44 -10.410 -0.312 11.119 359 HG23 VAL 44 HG23 VAL 44 -11.754 -0.714 10.050 360 H PHE 45 HN PHE 45 -11.867 -1.660 7.777 361 HA PHE 45 HA PHE 45 -14.546 -1.361 8.606 362 HB2 PHE 45 HB2 PHE 45 -13.270 -0.865 5.906 363 HB3 PHE 45 HB1 PHE 45 -14.931 -0.434 6.294 364 HD1 PHE 45 HD2 PHE 45 -14.801 0.702 8.927 365 HD2 PHE 45 HD1 PHE 45 -12.041 1.064 5.710 366 HE1 PHE 45 HE2 PHE 45 -14.031 2.854 9.836 367 HE2 PHE 45 HE1 PHE 45 -11.263 3.216 6.614 368 HZ PHE 45 HZ PHE 45 -12.259 4.114 8.679 369 H ASP 46 HN ASP 46 -12.966 -3.869 6.941 370 HA ASP 46 HA ASP 46 -15.232 -4.908 5.542 371 HB2 ASP 46 HB2 ASP 46 -12.793 -5.384 5.002 372 HB3 ASP 46 HB1 ASP 46 -12.779 -6.451 6.402 373 H ARG 47 HN ARG 47 -16.914 -5.082 6.968 374 HA ARG 47 HA ARG 47 -16.926 -6.008 9.553 375 HB2 ARG 47 HB2 ARG 47 -19.127 -6.540 7.561 376 HB3 ARG 47 HB1 ARG 47 -19.282 -6.358 9.303 377 HG2 ARG 47 HG2 ARG 47 -18.520 -4.000 9.062 378 HG3 ARG 47 HG1 ARG 47 -18.558 -4.222 7.312 379 HD2 ARG 47 HD2 ARG 47 -20.904 -4.528 9.184 380 HD3 ARG 47 HD1 ARG 47 -20.606 -3.156 8.117 381 HE ARG 47 HE ARG 47 -20.643 -5.475 6.561 382 HH11 ARG 47 HH11 ARG 47 -22.825 -3.568 8.499 383 HH12 ARG 47 HH12 ARG 47 -24.226 -4.000 7.577 384 HH21 ARG 47 HH21 ARG 47 -22.484 -6.051 5.345 385 HH22 ARG 47 HH22 ARG 47 -24.032 -5.414 5.788 386 H ASP 48 HN ASP 48 -17.137 -7.936 6.575 387 HA ASP 48 HA ASP 48 -17.503 -10.397 7.994 388 HB2 ASP 48 HB2 ASP 48 -16.679 -9.954 5.117 389 HB3 ASP 48 HB1 ASP 48 -17.262 -11.464 5.808 390 H GLY 49 HN GLY 49 -14.773 -8.510 7.111 391 HA2 GLY 49 HA2 GLY 49 -12.521 -8.818 7.419 392 HA3 GLY 49 HA1 GLY 49 -12.964 -10.039 8.600 393 H ASN 50 HN ASN 50 -14.196 -10.663 5.492 394 HA ASN 50 HA ASN 50 -12.634 -13.022 5.223 395 HB2 ASN 50 HB2 ASN 50 -13.752 -13.097 2.917 396 HB3 ASN 50 HB1 ASN 50 -14.805 -13.157 4.326 397 HD21 ASN 50 HD21 ASN 50 -16.554 -12.394 3.142 398 HD22 ASN 50 HD22 ASN 50 -16.682 -10.742 2.655 399 H GLY 51 HN GLY 51 -11.782 -9.892 4.693 400 HA2 GLY 51 HA2 GLY 51 -9.616 -9.301 3.917 401 HA3 GLY 51 HA1 GLY 51 -9.626 -10.723 2.887 402 H PHE 52 HN PHE 52 -12.466 -9.938 2.086 403 HA PHE 52 HA PHE 52 -11.665 -7.903 0.109 404 HB2 PHE 52 HB2 PHE 52 -13.994 -9.744 -0.308 405 HB3 PHE 52 HB1 PHE 52 -12.968 -8.960 -1.505 406 HD1 PHE 52 HD1 PHE 52 -10.753 -9.883 -2.033 407 HD2 PHE 52 HD2 PHE 52 -13.411 -11.841 0.652 408 HE1 PHE 52 HE1 PHE 52 -9.434 -11.952 -2.240 409 HE2 PHE 52 HE2 PHE 52 -12.098 -13.909 0.453 410 HZ PHE 52 HZ PHE 52 -10.107 -13.967 -0.996 411 H ILE 53 HN ILE 53 -12.744 -6.024 0.074 412 HA ILE 53 HA ILE 53 -14.982 -5.704 1.928 413 HB ILE 53 HB ILE 53 -13.387 -3.616 0.437 414 HG12 ILE 53 HG12 ILE 53 -13.312 -4.009 3.405 415 HG13 ILE 53 HG11 ILE 53 -12.369 -5.088 2.381 416 HG21 ILE 53 HG21 ILE 53 -15.461 -3.320 2.606 417 HG22 ILE 53 HG22 ILE 53 -15.638 -2.841 0.918 418 HG23 ILE 53 HG23 ILE 53 -14.471 -2.015 1.951 419 HD11 ILE 53 HD11 ILE 53 -12.154 -2.094 2.522 420 HD12 ILE 53 HD12 ILE 53 -11.264 -3.119 1.396 421 HD13 ILE 53 HD13 ILE 53 -10.995 -3.275 3.132 422 H SER 54 HN SER 54 -16.994 -5.028 1.349 423 HA SER 54 HA SER 54 -17.619 -5.152 -1.518 424 HB2 SER 54 HB2 SER 54 -19.964 -5.558 -0.743 425 HB3 SER 54 HB1 SER 54 -18.822 -6.795 -0.215 426 HG SER 54 HG SER 54 -20.420 -5.329 1.283 427 H LYS 55 HN LYS 55 -19.875 -3.872 -1.862 428 HA LYS 55 HA LYS 55 -19.191 -1.141 -1.773 429 HB2 LYS 55 HB2 LYS 55 -21.751 -2.594 -2.413 430 HB3 LYS 55 HB1 LYS 55 -21.619 -0.844 -2.500 431 HG2 LYS 55 HG2 LYS 55 -20.142 -0.917 -4.291 432 HG3 LYS 55 HG1 LYS 55 -19.703 -2.597 -3.986 433 HD2 LYS 55 HD2 LYS 55 -22.448 -1.711 -4.866 434 HD3 LYS 55 HD1 LYS 55 -21.181 -2.234 -5.979 435 HE2 LYS 55 HE2 LYS 55 -22.335 -3.889 -3.736 436 HE3 LYS 55 HE1 LYS 55 -22.761 -4.043 -5.439 437 HZ1 LYS 55 HZ1 LYS 55 -20.060 -4.488 -4.284 438 HZ2 LYS 55 HZ2 LYS 55 -20.465 -4.634 -5.920 439 HZ3 LYS 55 HZ3 LYS 55 -21.131 -5.698 -4.786 440 H GLN 56 HN GLN 56 -21.637 -2.996 0.033 441 HA GLN 56 HA GLN 56 -22.641 -0.866 1.549 442 HB2 GLN 56 HB2 GLN 56 -22.998 -3.683 1.419 443 HB3 GLN 56 HB1 GLN 56 -22.715 -3.262 3.103 444 HG2 GLN 56 HG2 GLN 56 -25.083 -3.262 2.589 445 HG3 GLN 56 HG1 GLN 56 -24.530 -1.644 3.018 446 HE21 GLN 56 HE21 GLN 56 -23.897 -3.130 -0.077 447 HE22 GLN 56 HE22 GLN 56 -24.923 -2.095 -1.004 448 H GLU 57 HN GLU 57 -19.826 -2.892 1.986 449 HA GLU 57 HA GLU 57 -19.299 -2.063 4.674 450 HB2 GLU 57 HB2 GLU 57 -17.588 -3.446 2.605 451 HB3 GLU 57 HB1 GLU 57 -17.068 -3.144 4.256 452 HG2 GLU 57 HG2 GLU 57 -18.906 -4.506 5.095 453 HG3 GLU 57 HG1 GLU 57 -19.448 -4.797 3.442 454 H LEU 58 HN LEU 58 -17.926 -1.232 1.501 455 HA LEU 58 HA LEU 58 -16.034 0.620 2.435 456 HB2 LEU 58 HB2 LEU 58 -16.215 -0.416 0.116 457 HB3 LEU 58 HB1 LEU 58 -17.451 0.782 -0.220 458 HG LEU 58 HG LEU 58 -15.385 2.329 0.718 459 HD11 LEU 58 HD11 LEU 58 -13.848 0.456 0.743 460 HD12 LEU 58 HD12 LEU 58 -13.396 1.603 -0.517 461 HD13 LEU 58 HD13 LEU 58 -14.219 0.104 -0.946 462 HD21 LEU 58 HD21 LEU 58 -16.077 1.549 -2.108 463 HD22 LEU 58 HD22 LEU 58 -15.062 2.920 -1.666 464 HD23 LEU 58 HD23 LEU 58 -16.755 2.882 -1.176 465 H GLY 59 HN GLY 59 -19.441 0.788 2.176 466 HA2 GLY 59 HA2 GLY 59 -19.724 3.609 1.879 467 HA3 GLY 59 HA1 GLY 59 -20.962 2.497 2.446 468 H THR 60 HN THR 60 -18.917 1.568 4.514 469 HA THR 60 HA THR 60 -19.712 3.465 6.556 470 HB THR 60 HB THR 60 -18.025 0.973 6.876 471 HG1 THR 60 HG1 THR 60 -20.830 1.360 6.809 472 HG21 THR 60 HG21 THR 60 -18.774 1.072 9.206 473 HG22 THR 60 HG22 THR 60 -19.667 2.553 8.860 474 HG23 THR 60 HG23 THR 60 -17.907 2.541 8.756 475 H ALA 61 HN ALA 61 -16.911 2.578 4.719 476 HA ALA 61 HA ALA 61 -14.950 3.810 6.371 477 HB1 ALA 61 HB1 ALA 61 -14.401 2.101 4.698 478 HB2 ALA 61 HB2 ALA 61 -13.466 3.577 4.460 479 HB3 ALA 61 HB3 ALA 61 -14.842 3.227 3.414 480 H MET 62 HN MET 62 -16.747 4.902 3.513 481 HA MET 62 HA MET 62 -15.474 7.410 3.285 482 HB2 MET 62 HB2 MET 62 -18.154 6.424 2.318 483 HB3 MET 62 HB1 MET 62 -17.519 8.017 1.930 484 HG2 MET 62 HG2 MET 62 -16.228 5.391 1.230 485 HG3 MET 62 HG1 MET 62 -17.138 6.422 0.129 486 HE1 MET 62 HE1 MET 62 -14.289 5.400 -0.601 487 HE2 MET 62 HE2 MET 62 -13.473 6.860 -1.164 488 HE3 MET 62 HE3 MET 62 -15.144 6.548 -1.633 489 H ARG 63 HN ARG 63 -18.579 6.498 4.799 490 HA ARG 63 HA ARG 63 -19.374 9.045 5.585 491 HB2 ARG 63 HB2 ARG 63 -20.810 7.967 7.215 492 HB3 ARG 63 HB1 ARG 63 -20.825 7.056 5.711 493 HG2 ARG 63 HG2 ARG 63 -19.329 5.409 6.653 494 HG3 ARG 63 HG1 ARG 63 -19.196 6.347 8.142 495 HD2 ARG 63 HD2 ARG 63 -21.726 5.117 7.050 496 HD3 ARG 63 HD1 ARG 63 -20.762 4.476 8.381 497 HE ARG 63 HE ARG 63 -21.676 7.188 8.752 498 HH11 ARG 63 HH11 ARG 63 -22.385 3.808 9.221 499 HH12 ARG 63 HH12 ARG 63 -23.487 4.089 10.526 500 HH21 ARG 63 HH21 ARG 63 -23.124 7.568 10.468 501 HH22 ARG 63 HH22 ARG 63 -23.907 6.227 11.236 502 H SER 64 HN SER 64 -17.063 6.861 7.036 503 HA SER 64 HA SER 64 -16.807 7.997 9.563 504 HB2 SER 64 HB2 SER 64 -15.703 5.898 8.934 505 HB3 SER 64 HB1 SER 64 -14.639 6.775 7.836 506 HG SER 64 HG SER 64 -13.395 7.022 9.498 507 H LEU 65 HN LEU 65 -15.402 8.955 6.480 508 HA LEU 65 HA LEU 65 -13.801 11.051 7.622 509 HB2 LEU 65 HB2 LEU 65 -14.562 10.723 4.725 510 HB3 LEU 65 HB1 LEU 65 -13.173 11.569 5.378 511 HG LEU 65 HG LEU 65 -13.599 8.581 5.457 512 HD11 LEU 65 HD11 LEU 65 -11.758 8.499 3.853 513 HD12 LEU 65 HD12 LEU 65 -11.721 10.261 3.804 514 HD13 LEU 65 HD13 LEU 65 -13.136 9.392 3.210 515 HD21 LEU 65 HD21 LEU 65 -11.249 10.259 6.329 516 HD22 LEU 65 HD22 LEU 65 -11.286 8.497 6.263 517 HD23 LEU 65 HD23 LEU 65 -12.338 9.359 7.385 518 H GLY 66 HN GLY 66 -17.049 10.711 6.576 519 HA2 GLY 66 HA2 GLY 66 -18.561 12.497 7.365 520 HA3 GLY 66 HA1 GLY 66 -17.396 13.645 6.723 521 H TYR 67 HN TYR 67 -17.932 10.812 4.867 522 HA TYR 67 HA TYR 67 -19.673 12.325 3.031 523 HB2 TYR 67 HB2 TYR 67 -17.519 10.331 2.296 524 HB3 TYR 67 HB1 TYR 67 -18.562 11.185 1.164 525 HD1 TYR 67 HD1 TYR 67 -18.236 13.568 0.728 526 HD2 TYR 67 HD2 TYR 67 -15.667 11.446 3.372 527 HE1 TYR 67 HE1 TYR 67 -16.615 15.414 0.625 528 HE2 TYR 67 HE2 TYR 67 -14.039 13.286 3.278 529 HH TYR 67 HH TYR 67 -13.433 15.136 1.810 530 H MET 68 HN MET 68 -21.643 11.476 3.257 531 HA MET 68 HA MET 68 -21.980 8.625 3.733 532 HB2 MET 68 HB2 MET 68 -24.098 10.767 3.511 533 HB3 MET 68 HB1 MET 68 -24.297 9.148 4.168 534 HG2 MET 68 HG2 MET 68 -22.724 9.714 5.974 535 HG3 MET 68 HG1 MET 68 -22.611 11.352 5.332 536 HE1 MET 68 HE1 MET 68 -25.693 8.927 5.681 537 HE2 MET 68 HE2 MET 68 -26.410 9.506 7.185 538 HE3 MET 68 HE3 MET 68 -24.826 8.729 7.204 539 HA PRO 69 HA PRO 69 -22.765 8.299 -0.719 540 HB2 PRO 69 HB2 PRO 69 -22.024 5.755 -1.023 541 HB3 PRO 69 HB1 PRO 69 -20.824 7.026 -0.759 542 HG2 PRO 69 HG2 PRO 69 -21.910 5.013 1.159 543 HG3 PRO 69 HG1 PRO 69 -20.259 5.639 1.002 544 HD2 PRO 69 HD2 PRO 69 -22.152 6.498 2.861 545 HD3 PRO 69 HD1 PRO 69 -20.686 7.380 2.398 546 H ASN 70 HN ASN 70 -24.619 7.774 -1.729 547 HA ASN 70 HA ASN 70 -26.700 6.440 -0.260 548 HB2 ASN 70 HB2 ASN 70 -26.660 7.514 -3.088 549 HB3 ASN 70 HB1 ASN 70 -28.094 6.932 -2.246 550 HD21 ASN 70 HD21 ASN 70 -25.748 9.472 -2.502 551 HD22 ASN 70 HD22 ASN 70 -26.580 10.620 -1.515 552 H GLU 71 HN GLU 71 -28.120 4.862 -1.709 553 HA GLU 71 HA GLU 71 -26.685 2.468 -1.905 554 HB2 GLU 71 HB2 GLU 71 -28.712 1.544 -2.958 555 HB3 GLU 71 HB1 GLU 71 -29.082 2.488 -1.521 556 HG2 GLU 71 HG2 GLU 71 -29.806 4.344 -2.869 557 HG3 GLU 71 HG1 GLU 71 -29.317 3.507 -4.342 558 H VAL 72 HN VAL 72 -27.362 4.933 -4.286 559 HA VAL 72 HA VAL 72 -26.401 3.268 -6.472 560 HB VAL 72 HB VAL 72 -28.319 4.788 -6.833 561 HG11 VAL 72 HG11 VAL 72 -27.616 6.616 -5.375 562 HG12 VAL 72 HG12 VAL 72 -27.955 7.197 -7.006 563 HG13 VAL 72 HG13 VAL 72 -26.286 6.987 -6.474 564 HG21 VAL 72 HG21 VAL 72 -27.536 5.739 -8.959 565 HG22 VAL 72 HG22 VAL 72 -26.980 4.082 -8.731 566 HG23 VAL 72 HG23 VAL 72 -25.870 5.427 -8.473 567 H GLU 73 HN GLU 73 -25.187 5.586 -4.255 568 HA GLU 73 HA GLU 73 -23.021 6.532 -5.869 569 HB2 GLU 73 HB2 GLU 73 -23.443 6.653 -2.880 570 HB3 GLU 73 HB1 GLU 73 -22.180 7.505 -3.755 571 HG2 GLU 73 HG2 GLU 73 -25.142 7.904 -4.099 572 HG3 GLU 73 HG1 GLU 73 -24.044 8.973 -3.229 573 H LEU 74 HN LEU 74 -23.270 4.192 -3.193 574 HA LEU 74 HA LEU 74 -20.544 3.536 -3.101 575 HB2 LEU 74 HB2 LEU 74 -21.395 1.369 -2.053 576 HB3 LEU 74 HB1 LEU 74 -21.775 2.876 -1.244 577 HG LEU 74 HG LEU 74 -24.033 2.759 -2.451 578 HD11 LEU 74 HD11 LEU 74 -23.450 1.054 -4.083 579 HD12 LEU 74 HD12 LEU 74 -24.781 0.516 -3.061 580 HD13 LEU 74 HD13 LEU 74 -23.153 -0.102 -2.786 581 HD21 LEU 74 HD21 LEU 74 -24.951 1.261 -0.737 582 HD22 LEU 74 HD22 LEU 74 -23.782 2.398 -0.067 583 HD23 LEU 74 HD23 LEU 74 -23.318 0.720 -0.349 584 H GLU 75 HN GLU 75 -22.840 2.850 -5.487 585 HA GLU 75 HA GLU 75 -21.631 0.385 -6.387 586 HB2 GLU 75 HB2 GLU 75 -23.764 2.143 -7.602 587 HB3 GLU 75 HB1 GLU 75 -23.216 0.630 -8.310 588 HG2 GLU 75 HG2 GLU 75 -23.916 -0.537 -6.244 589 HG3 GLU 75 HG1 GLU 75 -24.568 0.989 -5.648 590 H VAL 76 HN VAL 76 -21.330 3.787 -7.095 591 HA VAL 76 HA VAL 76 -19.880 3.265 -9.557 592 HB VAL 76 HB VAL 76 -19.756 5.658 -9.858 593 HG11 VAL 76 HG11 VAL 76 -21.817 4.534 -10.519 594 HG12 VAL 76 HG12 VAL 76 -22.136 6.181 -9.978 595 HG13 VAL 76 HG13 VAL 76 -22.495 4.820 -8.916 596 HG21 VAL 76 HG21 VAL 76 -19.411 6.181 -7.425 597 HG22 VAL 76 HG22 VAL 76 -21.151 5.990 -7.211 598 HG23 VAL 76 HG23 VAL 76 -20.527 7.253 -8.270 599 H ILE 77 HN ILE 77 -19.183 3.751 -6.247 600 HA ILE 77 HA ILE 77 -16.507 4.743 -6.645 601 HB ILE 77 HB ILE 77 -17.816 3.662 -4.150 602 HG12 ILE 77 HG12 ILE 77 -17.258 6.545 -4.454 603 HG13 ILE 77 HG11 ILE 77 -18.518 5.911 -5.507 604 HG21 ILE 77 HG21 ILE 77 -16.010 4.835 -2.965 605 HG22 ILE 77 HG22 ILE 77 -15.268 5.231 -4.515 606 HG23 ILE 77 HG23 ILE 77 -15.397 3.548 -4.004 607 HD11 ILE 77 HD11 ILE 77 -18.451 5.666 -2.510 608 HD12 ILE 77 HD12 ILE 77 -19.722 5.068 -3.577 609 HD13 ILE 77 HD13 ILE 77 -19.431 6.802 -3.437 610 H ILE 78 HN ILE 78 -17.952 1.649 -5.645 611 HA ILE 78 HA ILE 78 -15.493 0.300 -5.278 612 HB ILE 78 HB ILE 78 -18.318 -0.656 -5.647 613 HG12 ILE 78 HG12 ILE 78 -17.666 0.430 -3.516 614 HG13 ILE 78 HG11 ILE 78 -18.137 -1.250 -3.305 615 HG21 ILE 78 HG21 ILE 78 -15.871 -2.372 -5.256 616 HG22 ILE 78 HG22 ILE 78 -16.979 -2.396 -6.627 617 HG23 ILE 78 HG23 ILE 78 -17.531 -2.926 -5.039 618 HD11 ILE 78 HD11 ILE 78 -15.316 -0.210 -3.392 619 HD12 ILE 78 HD12 ILE 78 -15.788 -1.896 -3.178 620 HD13 ILE 78 HD13 ILE 78 -16.204 -0.701 -1.950 621 H GLN 79 HN GLN 79 -17.157 1.182 -8.146 622 HA GLN 79 HA GLN 79 -16.068 -1.006 -9.713 623 HB2 GLN 79 HB2 GLN 79 -17.199 -0.030 -11.599 624 HB3 GLN 79 HB1 GLN 79 -18.302 -0.042 -10.230 625 HG2 GLN 79 HG2 GLN 79 -18.024 2.288 -9.881 626 HG3 GLN 79 HG1 GLN 79 -16.692 2.364 -11.032 627 HE21 GLN 79 HE21 GLN 79 -19.165 3.874 -11.003 628 HE22 GLN 79 HE22 GLN 79 -19.960 3.541 -12.500 629 H ARG 80 HN ARG 80 -14.960 1.911 -8.527 630 HA ARG 80 HA ARG 80 -13.274 2.628 -10.758 631 HB2 ARG 80 HB2 ARG 80 -13.201 3.635 -7.908 632 HB3 ARG 80 HB1 ARG 80 -12.424 4.379 -9.299 633 HG2 ARG 80 HG2 ARG 80 -15.397 4.029 -9.014 634 HG3 ARG 80 HG1 ARG 80 -14.520 5.495 -8.573 635 HD2 ARG 80 HD2 ARG 80 -14.578 4.248 -11.319 636 HD3 ARG 80 HD1 ARG 80 -15.532 5.642 -10.813 637 HE ARG 80 HE ARG 80 -12.688 5.949 -10.451 638 HH11 ARG 80 HH11 ARG 80 -15.379 6.348 -12.632 639 HH12 ARG 80 HH12 ARG 80 -14.600 7.576 -13.572 640 HH21 ARG 80 HH21 ARG 80 -11.656 7.565 -11.685 641 HH22 ARG 80 HH22 ARG 80 -12.483 8.266 -13.035 642 H LEU 81 HN LEU 81 -12.998 0.807 -7.790 643 HA LEU 81 HA LEU 81 -10.110 0.510 -8.176 644 HB2 LEU 81 HB2 LEU 81 -11.896 -0.269 -5.873 645 HB3 LEU 81 HB1 LEU 81 -10.174 -0.587 -5.937 646 HG LEU 81 HG LEU 81 -9.908 1.964 -6.202 647 HD11 LEU 81 HD11 LEU 81 -11.711 3.274 -5.167 648 HD12 LEU 81 HD12 LEU 81 -12.720 1.829 -5.126 649 HD13 LEU 81 HD13 LEU 81 -12.217 2.510 -6.674 650 HD21 LEU 81 HD21 LEU 81 -9.978 2.275 -3.776 651 HD22 LEU 81 HD22 LEU 81 -9.242 0.733 -4.213 652 HD23 LEU 81 HD23 LEU 81 -10.900 0.781 -3.611 653 H ASP 82 HN ASP 82 -13.082 -1.387 -7.959 654 HA ASP 82 HA ASP 82 -11.791 -3.915 -8.226 655 HB2 ASP 82 HB2 ASP 82 -14.092 -3.478 -7.236 656 HB3 ASP 82 HB1 ASP 82 -14.672 -3.308 -8.890 657 H MET 83 HN MET 83 -10.408 -3.546 -10.037 658 HA MET 83 HA MET 83 -11.283 -2.801 -12.591 659 HB2 MET 83 HB2 MET 83 -9.175 -3.797 -13.403 660 HB3 MET 83 HB1 MET 83 -8.936 -2.760 -12.005 661 HG2 MET 83 HG2 MET 83 -8.782 -4.712 -10.565 662 HG3 MET 83 HG1 MET 83 -9.062 -5.767 -11.947 663 HE1 MET 83 HE1 MET 83 -6.921 -7.193 -11.558 664 HE2 MET 83 HE2 MET 83 -6.605 -6.279 -10.083 665 HE3 MET 83 HE3 MET 83 -5.319 -6.516 -11.266 666 H ASP 84 HN ASP 84 -10.823 -6.053 -11.207 667 HA ASP 84 HA ASP 84 -11.673 -7.398 -13.569 668 HB2 ASP 84 HB2 ASP 84 -11.724 -9.417 -12.139 669 HB3 ASP 84 HB1 ASP 84 -10.221 -8.516 -11.975 670 H GLY 85 HN GLY 85 -13.315 -6.094 -10.798 671 HA2 GLY 85 HA2 GLY 85 -15.574 -5.647 -10.561 672 HA3 GLY 85 HA1 GLY 85 -15.860 -6.457 -12.093 673 H ASP 86 HN ASP 86 -14.401 -7.676 -9.078 674 HA ASP 86 HA ASP 86 -16.176 -9.978 -9.202 675 HB2 ASP 86 HB2 ASP 86 -14.808 -10.899 -7.405 676 HB3 ASP 86 HB1 ASP 86 -13.781 -10.315 -8.710 677 H GLY 87 HN GLY 87 -16.750 -7.032 -8.252 678 HA2 GLY 87 HA2 GLY 87 -18.486 -6.225 -6.938 679 HA3 GLY 87 HA1 GLY 87 -18.684 -7.834 -6.263 680 H GLN 88 HN GLN 88 -15.590 -7.590 -5.824 681 HA GLN 88 HA GLN 88 -15.698 -5.878 -3.437 682 HB2 GLN 88 HB2 GLN 88 -14.548 -8.674 -3.530 683 HB3 GLN 88 HB1 GLN 88 -14.495 -7.586 -2.147 684 HG2 GLN 88 HG2 GLN 88 -16.863 -7.686 -1.887 685 HG3 GLN 88 HG1 GLN 88 -17.045 -8.568 -3.401 686 HE21 GLN 88 HE21 GLN 88 -17.851 -9.256 -0.663 687 HE22 GLN 88 HE22 GLN 88 -17.115 -10.784 -0.327 688 H VAL 89 HN VAL 89 -13.633 -5.133 -2.682 689 HA VAL 89 HA VAL 89 -11.694 -4.901 -4.865 690 HB VAL 89 HB VAL 89 -11.827 -3.332 -2.286 691 HG11 VAL 89 HG11 VAL 89 -10.319 -1.775 -3.437 692 HG12 VAL 89 HG12 VAL 89 -10.251 -2.871 -4.816 693 HG13 VAL 89 HG13 VAL 89 -9.599 -3.375 -3.258 694 HG21 VAL 89 HG21 VAL 89 -13.811 -2.936 -3.636 695 HG22 VAL 89 HG22 VAL 89 -12.804 -2.602 -5.045 696 HG23 VAL 89 HG23 VAL 89 -12.759 -1.520 -3.653 697 H ASP 90 HN ASP 90 -9.780 -5.874 -4.816 698 HA ASP 90 HA ASP 90 -9.067 -7.473 -2.500 699 HB2 ASP 90 HB2 ASP 90 -8.912 -8.482 -4.726 700 HB3 ASP 90 HB1 ASP 90 -7.760 -7.245 -5.220 701 H PHE 91 HN PHE 91 -7.085 -7.363 -1.414 702 HA PHE 91 HA PHE 91 -6.183 -4.908 -0.613 703 HB2 PHE 91 HB2 PHE 91 -5.693 -6.980 0.585 704 HB3 PHE 91 HB1 PHE 91 -4.619 -7.495 -0.709 705 HD1 PHE 91 HD1 PHE 91 -4.974 -4.257 1.122 706 HD2 PHE 91 HD2 PHE 91 -2.469 -7.535 0.077 707 HE1 PHE 91 HE1 PHE 91 -3.087 -3.177 2.273 708 HE2 PHE 91 HE2 PHE 91 -0.577 -6.460 1.224 709 HZ PHE 91 HZ PHE 91 -0.886 -4.280 2.325 710 H GLU 92 HN GLU 92 -4.538 -7.005 -2.992 711 HA GLU 92 HA GLU 92 -2.426 -5.327 -3.617 712 HB2 GLU 92 HB2 GLU 92 -3.897 -7.196 -5.483 713 HB3 GLU 92 HB1 GLU 92 -2.288 -6.543 -5.751 714 HG2 GLU 92 HG2 GLU 92 -1.489 -7.704 -3.750 715 HG3 GLU 92 HG1 GLU 92 -3.104 -8.369 -3.502 716 H GLU 93 HN GLU 93 -5.552 -5.547 -5.342 717 HA GLU 93 HA GLU 93 -5.112 -3.556 -7.208 718 HB2 GLU 93 HB2 GLU 93 -7.678 -4.331 -5.816 719 HB3 GLU 93 HB1 GLU 93 -7.603 -3.281 -7.224 720 HG2 GLU 93 HG2 GLU 93 -6.732 -5.048 -8.578 721 HG3 GLU 93 HG1 GLU 93 -6.559 -6.101 -7.173 722 H PHE 94 HN PHE 94 -5.616 -3.251 -3.816 723 HA PHE 94 HA PHE 94 -6.356 -0.444 -3.982 724 HB2 PHE 94 HB2 PHE 94 -7.437 -1.939 -2.328 725 HB3 PHE 94 HB1 PHE 94 -5.877 -2.170 -1.547 726 HD1 PHE 94 HD1 PHE 94 -7.811 0.781 -2.781 727 HD2 PHE 94 HD2 PHE 94 -5.707 -1.047 0.436 728 HE1 PHE 94 HE1 PHE 94 -8.225 2.766 -1.387 729 HE2 PHE 94 HE2 PHE 94 -6.118 0.935 1.835 730 HZ PHE 94 HZ PHE 94 -7.378 2.844 0.925 731 H VAL 95 HN VAL 95 -3.615 -2.407 -2.864 732 HA VAL 95 HA VAL 95 -2.120 -0.363 -1.697 733 HB VAL 95 HB VAL 95 -0.151 -1.763 -1.994 734 HG11 VAL 95 HG11 VAL 95 -2.621 -3.303 -1.245 735 HG12 VAL 95 HG12 VAL 95 -1.642 -2.292 -0.181 736 HG13 VAL 95 HG13 VAL 95 -0.969 -3.777 -0.852 737 HG21 VAL 95 HG21 VAL 95 -0.102 -3.741 -3.277 738 HG22 VAL 95 HG22 VAL 95 -0.772 -2.493 -4.330 739 HG23 VAL 95 HG23 VAL 95 -1.836 -3.676 -3.573 740 H THR 96 HN THR 96 -2.474 -1.249 -5.083 741 HA THR 96 HA THR 96 -0.274 0.411 -5.924 742 HB THR 96 HB THR 96 -2.421 -0.903 -7.599 743 HG1 THR 96 HG1 THR 96 -0.294 -1.926 -6.271 744 HG21 THR 96 HG21 THR 96 -0.821 -0.643 -9.438 745 HG22 THR 96 HG22 THR 96 0.286 0.204 -8.357 746 HG23 THR 96 HG23 THR 96 -1.273 0.921 -8.761 747 H LEU 97 HN LEU 97 -3.824 0.567 -6.102 748 HA LEU 97 HA LEU 97 -4.010 2.946 -7.560 749 HB2 LEU 97 HB2 LEU 97 -5.862 1.698 -5.543 750 HB3 LEU 97 HB1 LEU 97 -6.275 3.152 -6.432 751 HG LEU 97 HG LEU 97 -5.633 0.490 -7.705 752 HD11 LEU 97 HD11 LEU 97 -8.029 0.361 -8.172 753 HD12 LEU 97 HD12 LEU 97 -8.288 1.839 -7.246 754 HD13 LEU 97 HD13 LEU 97 -7.708 0.383 -6.437 755 HD21 LEU 97 HD21 LEU 97 -6.765 3.024 -8.884 756 HD22 LEU 97 HD22 LEU 97 -6.477 1.510 -9.740 757 HD23 LEU 97 HD23 LEU 97 -5.117 2.437 -9.107 758 H LEU 98 HN LEU 98 -3.267 2.402 -4.211 759 HA LEU 98 HA LEU 98 -3.576 5.253 -3.618 760 HB2 LEU 98 HB2 LEU 98 -3.472 4.702 -1.326 761 HB3 LEU 98 HB1 LEU 98 -4.491 3.486 -2.068 762 HG LEU 98 HG LEU 98 -2.169 2.167 -2.178 763 HD11 LEU 98 HD11 LEU 98 -0.883 3.994 -1.172 764 HD12 LEU 98 HD12 LEU 98 -0.871 2.555 -0.157 765 HD13 LEU 98 HD13 LEU 98 -1.904 3.920 0.263 766 HD21 LEU 98 HD21 LEU 98 -3.898 2.377 0.284 767 HD22 LEU 98 HD22 LEU 98 -2.844 1.027 -0.139 768 HD23 LEU 98 HD23 LEU 98 -4.249 1.395 -1.138 769 H GLY 99 HN GLY 99 -1.234 3.046 -4.592 770 HA2 GLY 99 HA2 GLY 99 0.939 4.695 -3.465 771 HA3 GLY 99 HA1 GLY 99 1.109 3.017 -3.955 772 HA PRO 100 HA PRO 100 2.874 5.058 -7.568 773 HB2 PRO 100 HB2 PRO 100 3.819 2.819 -8.763 774 HB3 PRO 100 HB1 PRO 100 4.637 3.589 -7.397 775 HG2 PRO 100 HG2 PRO 100 2.815 1.213 -7.419 776 HG3 PRO 100 HG1 PRO 100 4.339 1.445 -6.543 777 HD2 PRO 100 HD2 PRO 100 1.916 1.735 -5.366 778 HD3 PRO 100 HD1 PRO 100 3.338 2.678 -4.874 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 -14.095 6.747 -24.716 2 H2 MET 1 HT2 MET 1 -14.897 5.691 -23.667 3 H3 MET 1 HT3 MET 1 -15.511 5.970 -25.217 4 HA MET 1 HA MET 1 -14.459 3.846 -25.158 5 HB2 MET 1 HB2 MET 1 -14.311 5.044 -27.246 6 HB3 MET 1 HB1 MET 1 -12.906 5.937 -26.689 7 HG2 MET 1 HG2 MET 1 -11.622 3.852 -26.610 8 HG3 MET 1 HG1 MET 1 -13.033 2.973 -27.197 9 HE1 MET 1 HE1 MET 1 -10.098 2.929 -28.525 10 HE2 MET 1 HE2 MET 1 -10.509 2.996 -30.239 11 HE3 MET 1 HE3 MET 1 -11.445 1.975 -29.145 12 HA PRO 2 HA PRO 2 -10.046 4.355 -23.470 13 HB2 PRO 2 HB2 PRO 2 -8.974 6.732 -22.923 14 HB3 PRO 2 HB1 PRO 2 -9.078 6.144 -24.588 15 HG2 PRO 2 HG2 PRO 2 -10.813 8.121 -23.165 16 HG3 PRO 2 HG1 PRO 2 -10.187 8.170 -24.822 17 HD2 PRO 2 HD2 PRO 2 -12.732 7.346 -24.121 18 HD3 PRO 2 HD1 PRO 2 -11.902 6.903 -25.625 19 H PHE 3 HN PHE 3 -12.502 4.360 -21.953 20 HA PHE 3 HA PHE 3 -11.626 5.549 -19.406 21 HB2 PHE 3 HB2 PHE 3 -14.386 4.635 -20.248 22 HB3 PHE 3 HB1 PHE 3 -13.977 5.342 -18.688 23 HD1 PHE 3 HD1 PHE 3 -13.130 7.714 -18.624 24 HD2 PHE 3 HD2 PHE 3 -14.881 5.982 -22.094 25 HE1 PHE 3 HE1 PHE 3 -13.540 9.962 -19.533 26 HE2 PHE 3 HE2 PHE 3 -15.293 8.228 -23.012 27 HZ PHE 3 HZ PHE 3 -14.621 10.222 -21.731 28 H HIS 4 HN HIS 4 -12.651 2.589 -20.976 29 HA HIS 4 HA HIS 4 -12.360 1.087 -18.489 30 HB2 HIS 4 HB2 HIS 4 -13.244 0.150 -21.227 31 HB3 HIS 4 HB1 HIS 4 -13.286 -0.802 -19.746 32 HD1 HIS 4 HD1 HIS 4 -15.307 -0.543 -18.267 33 HD2 HIS 4 HD2 HIS 4 -15.140 2.317 -21.277 34 HE1 HIS 4 HE1 HIS 4 -17.524 0.643 -18.192 35 HE2 HIS 4 HE2 HIS 4 -17.433 2.307 -20.081 36 HA PRO 5 HA PRO 5 -8.247 -0.126 -19.698 37 HB2 PRO 5 HB2 PRO 5 -7.763 -1.951 -17.788 38 HB3 PRO 5 HB1 PRO 5 -7.852 -0.224 -17.424 39 HG2 PRO 5 HG2 PRO 5 -9.916 -2.353 -17.029 40 HG3 PRO 5 HG1 PRO 5 -9.457 -1.023 -15.949 41 HD2 PRO 5 HD2 PRO 5 -11.651 -0.969 -17.591 42 HD3 PRO 5 HD1 PRO 5 -10.792 0.482 -17.041 43 H VAL 6 HN VAL 6 -8.041 -1.269 -21.528 44 HA VAL 6 HA VAL 6 -9.019 -4.050 -21.549 45 HB VAL 6 HB VAL 6 -8.574 -2.298 -23.968 46 HG11 VAL 6 HG11 VAL 6 -9.939 -4.971 -23.652 47 HG12 VAL 6 HG12 VAL 6 -8.368 -4.688 -24.402 48 HG13 VAL 6 HG13 VAL 6 -9.830 -4.040 -25.146 49 HG21 VAL 6 HG21 VAL 6 -11.160 -2.989 -22.574 50 HG22 VAL 6 HG22 VAL 6 -11.015 -2.126 -24.106 51 HG23 VAL 6 HG23 VAL 6 -10.396 -1.401 -22.622 52 H THR 7 HN THR 7 -7.116 -4.949 -20.741 53 HA THR 7 HA THR 7 -4.657 -4.512 -22.276 54 HB THR 7 HB THR 7 -3.538 -5.776 -20.451 55 HG1 THR 7 HG1 THR 7 -5.882 -5.542 -18.910 56 HG21 THR 7 HG21 THR 7 -5.213 -3.444 -19.515 57 HG22 THR 7 HG22 THR 7 -3.673 -3.330 -20.365 58 HG23 THR 7 HG23 THR 7 -3.738 -4.032 -18.749 59 H ALA 8 HN ALA 8 -6.678 -7.173 -21.050 60 HA ALA 8 HA ALA 8 -6.215 -8.720 -23.424 61 HB1 ALA 8 HB1 ALA 8 -4.141 -9.160 -22.169 62 HB2 ALA 8 HB2 ALA 8 -5.120 -10.611 -22.386 63 HB3 ALA 8 HB3 ALA 8 -5.105 -9.782 -20.829 64 H ALA 9 HN ALA 9 -7.980 -9.881 -23.826 65 HA ALA 9 HA ALA 9 -10.136 -9.948 -21.952 66 HB1 ALA 9 HB1 ALA 9 -11.349 -11.151 -23.700 67 HB2 ALA 9 HB2 ALA 9 -9.855 -11.323 -24.622 68 HB3 ALA 9 HB3 ALA 9 -10.542 -9.722 -24.346 69 H LEU 10 HN LEU 10 -7.516 -12.040 -22.675 70 HA LEU 10 HA LEU 10 -8.763 -14.165 -21.059 71 HB2 LEU 10 HB2 LEU 10 -6.761 -14.434 -23.302 72 HB3 LEU 10 HB1 LEU 10 -7.256 -15.751 -22.255 73 HG LEU 10 HG LEU 10 -9.651 -15.223 -23.085 74 HD11 LEU 10 HD11 LEU 10 -9.699 -14.311 -25.380 75 HD12 LEU 10 HD12 LEU 10 -7.998 -13.880 -25.216 76 HD13 LEU 10 HD13 LEU 10 -9.203 -13.123 -24.177 77 HD21 LEU 10 HD21 LEU 10 -8.436 -17.263 -23.617 78 HD22 LEU 10 HD22 LEU 10 -7.590 -16.433 -24.924 79 HD23 LEU 10 HD23 LEU 10 -9.334 -16.685 -25.021 80 H MET 11 HN MET 11 -7.763 -14.694 -19.225 81 HA MET 11 HA MET 11 -5.070 -13.602 -18.763 82 HB2 MET 11 HB2 MET 11 -7.240 -14.317 -16.784 83 HB3 MET 11 HB1 MET 11 -5.634 -13.750 -16.348 84 HG2 MET 11 HG2 MET 11 -6.069 -11.646 -17.525 85 HG3 MET 11 HG1 MET 11 -7.690 -12.215 -17.921 86 HE1 MET 11 HE1 MET 11 -8.717 -10.018 -16.883 87 HE2 MET 11 HE2 MET 11 -7.115 -9.426 -16.444 88 HE3 MET 11 HE3 MET 11 -8.403 -9.459 -15.240 89 H TYR 12 HN TYR 12 -3.518 -14.864 -17.673 90 HA TYR 12 HA TYR 12 -3.668 -17.668 -18.310 91 HB2 TYR 12 HB2 TYR 12 -1.506 -16.006 -17.006 92 HB3 TYR 12 HB1 TYR 12 -1.337 -17.716 -17.385 93 HD1 TYR 12 HD1 TYR 12 -1.902 -14.379 -18.909 94 HD2 TYR 12 HD2 TYR 12 -0.704 -18.412 -19.544 95 HE1 TYR 12 HE1 TYR 12 -1.147 -13.792 -21.174 96 HE2 TYR 12 HE2 TYR 12 0.055 -17.836 -21.811 97 HH TYR 12 HH TYR 12 0.466 -14.663 -22.862 98 H ARG 13 HN ARG 13 -5.066 -16.087 -15.931 99 HA ARG 13 HA ARG 13 -5.780 -16.546 -13.820 100 HB2 ARG 13 HB2 ARG 13 -5.202 -19.356 -14.771 101 HB3 ARG 13 HB1 ARG 13 -6.078 -18.974 -13.294 102 HG2 ARG 13 HG2 ARG 13 -7.858 -17.972 -14.516 103 HG3 ARG 13 HG1 ARG 13 -6.947 -18.062 -16.025 104 HD2 ARG 13 HD2 ARG 13 -7.836 -20.445 -14.404 105 HD3 ARG 13 HD1 ARG 13 -8.685 -19.818 -15.815 106 HE ARG 13 HE ARG 13 -6.197 -20.248 -16.762 107 HH11 ARG 13 HH11 ARG 13 -8.416 -22.245 -14.964 108 HH12 ARG 13 HH12 ARG 13 -7.852 -23.725 -15.664 109 HH21 ARG 13 HH21 ARG 13 -5.451 -22.193 -17.689 110 HH22 ARG 13 HH22 ARG 13 -6.167 -23.697 -17.213 111 H GLY 14 HN GLY 14 -2.914 -16.009 -14.209 112 HA2 GLY 14 HA2 GLY 14 -1.096 -15.823 -12.806 113 HA3 GLY 14 HA1 GLY 14 -2.040 -16.632 -11.564 114 H ILE 15 HN ILE 15 0.801 -16.905 -12.722 115 HA ILE 15 HA ILE 15 0.692 -19.837 -13.007 116 HB ILE 15 HB ILE 15 1.242 -18.736 -15.157 117 HG12 ILE 15 HG12 ILE 15 3.342 -20.049 -15.585 118 HG13 ILE 15 HG11 ILE 15 3.417 -20.382 -13.858 119 HG21 ILE 15 HG21 ILE 15 2.393 -16.773 -14.245 120 HG22 ILE 15 HG22 ILE 15 3.360 -17.604 -15.462 121 HG23 ILE 15 HG23 ILE 15 3.737 -17.801 -13.750 122 HD11 ILE 15 HD11 ILE 15 2.448 -22.232 -15.135 123 HD12 ILE 15 HD12 ILE 15 1.152 -21.165 -15.677 124 HD13 ILE 15 HD13 ILE 15 1.311 -21.562 -13.966 125 H TYR 16 HN TYR 16 1.819 -20.929 -11.556 126 HA TYR 16 HA TYR 16 3.179 -21.428 -9.809 127 HB2 TYR 16 HB2 TYR 16 5.056 -19.312 -10.863 128 HB3 TYR 16 HB1 TYR 16 5.461 -20.761 -9.949 129 HD1 TYR 16 HD2 TYR 16 3.758 -22.732 -11.488 130 HD2 TYR 16 HD1 TYR 16 6.364 -19.634 -12.797 131 HE1 TYR 16 HE2 TYR 16 4.123 -23.937 -13.596 132 HE2 TYR 16 HE1 TYR 16 6.737 -20.834 -14.910 133 HH TYR 16 HH TYR 16 4.821 -23.449 -15.905 134 H THR 17 HN THR 17 1.223 -19.993 -8.905 135 HA THR 17 HA THR 17 0.515 -18.680 -7.195 136 HB THR 17 HB THR 17 3.428 -18.561 -6.393 137 HG1 THR 17 HG1 THR 17 2.094 -20.691 -6.600 138 HG21 THR 17 HG21 THR 17 0.898 -18.112 -4.805 139 HG22 THR 17 HG22 THR 17 2.070 -16.879 -5.266 140 HG23 THR 17 HG23 THR 17 2.529 -18.152 -4.138 141 H VAL 18 HN VAL 18 3.672 -17.099 -7.412 142 HA VAL 18 HA VAL 18 2.544 -14.515 -7.508 143 HB VAL 18 HB VAL 18 4.806 -13.702 -7.909 144 HG11 VAL 18 HG11 VAL 18 4.171 -14.355 -5.641 145 HG12 VAL 18 HG12 VAL 18 5.887 -14.636 -5.932 146 HG13 VAL 18 HG13 VAL 18 4.757 -15.990 -5.944 147 HG21 VAL 18 HG21 VAL 18 5.511 -16.608 -8.321 148 HG22 VAL 18 HG22 VAL 18 6.675 -15.292 -8.177 149 HG23 VAL 18 HG23 VAL 18 5.557 -15.332 -9.540 150 HA PRO 19 HA PRO 19 1.751 -14.186 -11.869 151 HB2 PRO 19 HB2 PRO 19 1.621 -11.305 -11.619 152 HB3 PRO 19 HB1 PRO 19 0.299 -12.455 -11.825 153 HG2 PRO 19 HG2 PRO 19 0.711 -11.025 -9.537 154 HG3 PRO 19 HG1 PRO 19 -0.090 -12.607 -9.577 155 HD2 PRO 19 HD2 PRO 19 2.736 -11.929 -8.849 156 HD3 PRO 19 HD1 PRO 19 1.620 -13.084 -8.087 157 H ASN 20 HN ASN 20 3.762 -11.500 -10.642 158 HA ASN 20 HA ASN 20 5.911 -12.180 -12.433 159 HB2 ASN 20 HB2 ASN 20 5.916 -9.961 -13.574 160 HB3 ASN 20 HB1 ASN 20 4.537 -10.967 -14.005 161 HD21 ASN 20 HD21 ASN 20 2.487 -10.431 -13.207 162 HD22 ASN 20 HD22 ASN 20 2.131 -8.843 -12.625 163 H LEU 21 HN LEU 21 6.174 -12.260 -9.848 164 HA LEU 21 HA LEU 21 6.962 -9.725 -8.712 165 HB2 LEU 21 HB2 LEU 21 6.161 -12.200 -7.705 166 HB3 LEU 21 HB1 LEU 21 7.846 -12.054 -7.241 167 HG LEU 21 HG LEU 21 6.196 -9.666 -6.730 168 HD11 LEU 21 HD11 LEU 21 4.601 -11.429 -6.188 169 HD12 LEU 21 HD12 LEU 21 5.165 -10.605 -4.734 170 HD13 LEU 21 HD13 LEU 21 5.799 -12.199 -5.147 171 HD21 LEU 21 HD21 LEU 21 8.164 -11.250 -5.079 172 HD22 LEU 21 HD22 LEU 21 7.467 -9.691 -4.639 173 HD23 LEU 21 HD23 LEU 21 8.529 -9.817 -6.041 174 H LEU 22 HN LEU 22 8.372 -11.203 -11.057 175 HA LEU 22 HA LEU 22 10.992 -11.791 -10.126 176 HB2 LEU 22 HB2 LEU 22 11.601 -11.698 -12.540 177 HB3 LEU 22 HB1 LEU 22 10.276 -12.782 -12.169 178 HG LEU 22 HG LEU 22 8.807 -10.688 -12.830 179 HD11 LEU 22 HD11 LEU 22 11.384 -10.215 -14.321 180 HD12 LEU 22 HD12 LEU 22 10.640 -9.139 -13.139 181 HD13 LEU 22 HD13 LEU 22 9.840 -9.440 -14.682 182 HD21 LEU 22 HD21 LEU 22 8.735 -12.856 -13.926 183 HD22 LEU 22 HD22 LEU 22 10.202 -12.467 -14.825 184 HD23 LEU 22 HD23 LEU 22 8.720 -11.558 -15.120 185 H SER 23 HN SER 23 9.357 -8.885 -11.034 186 HA SER 23 HA SER 23 11.895 -7.397 -10.934 187 HB2 SER 23 HB2 SER 23 10.640 -7.090 -13.022 188 HB3 SER 23 HB1 SER 23 9.228 -6.565 -12.105 189 HG SER 23 HG SER 23 10.102 -4.666 -12.418 190 H GLU 24 HN GLU 24 9.330 -8.244 -9.055 191 HA GLU 24 HA GLU 24 9.233 -5.698 -7.603 192 HB2 GLU 24 HB2 GLU 24 7.509 -8.167 -7.321 193 HB3 GLU 24 HB1 GLU 24 7.297 -6.668 -6.426 194 HG2 GLU 24 HG2 GLU 24 6.817 -5.480 -8.486 195 HG3 GLU 24 HG1 GLU 24 7.086 -6.954 -9.414 196 H GLN 25 HN GLN 25 10.975 -8.492 -7.578 197 HA GLN 25 HA GLN 25 11.040 -9.149 -4.825 198 HB2 GLN 25 HB2 GLN 25 13.138 -10.344 -5.382 199 HB3 GLN 25 HB1 GLN 25 11.821 -10.736 -6.479 200 HG2 GLN 25 HG2 GLN 25 12.740 -9.236 -8.152 201 HG3 GLN 25 HG1 GLN 25 14.039 -8.784 -7.051 202 HE21 GLN 25 HE21 GLN 25 12.802 -12.035 -7.303 203 HE22 GLN 25 HE22 GLN 25 14.205 -12.721 -8.040 204 H ARG 26 HN ARG 26 12.231 -6.516 -6.550 205 HA ARG 26 HA ARG 26 14.555 -5.928 -5.013 206 HB2 ARG 26 HB2 ARG 26 12.798 -4.145 -6.710 207 HB3 ARG 26 HB1 ARG 26 14.347 -3.666 -6.034 208 HG2 ARG 26 HG2 ARG 26 15.465 -5.392 -7.338 209 HG3 ARG 26 HG1 ARG 26 13.911 -5.900 -8.005 210 HD2 ARG 26 HD2 ARG 26 15.172 -4.440 -9.540 211 HD3 ARG 26 HD1 ARG 26 13.620 -3.750 -9.067 212 HE ARG 26 HE ARG 26 15.628 -2.815 -7.331 213 HH11 ARG 26 HH11 ARG 26 14.541 -2.482 -10.626 214 HH12 ARG 26 HH12 ARG 26 15.150 -0.870 -10.797 215 HH21 ARG 26 HH21 ARG 26 16.429 -0.693 -7.548 216 HH22 ARG 26 HH22 ARG 26 16.222 0.150 -9.048 217 HA PRO 27 HA PRO 27 12.744 -4.028 -1.448 218 HB2 PRO 27 HB2 PRO 27 14.569 -2.172 -0.774 219 HB3 PRO 27 HB1 PRO 27 14.914 -3.902 -0.659 220 HG2 PRO 27 HG2 PRO 27 15.684 -1.956 -2.803 221 HG3 PRO 27 HG1 PRO 27 16.667 -3.215 -2.031 222 HD2 PRO 27 HD2 PRO 27 15.476 -3.529 -4.463 223 HD3 PRO 27 HD1 PRO 27 15.798 -4.878 -3.356 224 H VAL 28 HN VAL 28 11.403 -3.098 -3.629 225 HA VAL 28 HA VAL 28 11.357 -0.171 -3.392 226 HB VAL 28 HB VAL 28 9.639 -1.526 -5.391 227 HG11 VAL 28 HG11 VAL 28 11.392 0.926 -5.430 228 HG12 VAL 28 HG12 VAL 28 9.639 0.878 -5.247 229 HG13 VAL 28 HG13 VAL 28 10.380 0.387 -6.770 230 HG21 VAL 28 HG21 VAL 28 12.636 -1.350 -5.714 231 HG22 VAL 28 HG22 VAL 28 11.489 -1.772 -6.986 232 HG23 VAL 28 HG23 VAL 28 11.685 -2.830 -5.589 233 H ASP 29 HN ASP 29 9.055 0.729 -3.748 234 HA ASP 29 HA ASP 29 6.912 1.011 -3.055 235 HB2 ASP 29 HB2 ASP 29 6.494 -1.262 -3.941 236 HB3 ASP 29 HB1 ASP 29 6.959 -1.940 -2.384 237 H ILE 30 HN ILE 30 5.675 1.271 -1.156 238 HA ILE 30 HA ILE 30 7.106 2.095 1.052 239 HB ILE 30 HB ILE 30 4.210 1.431 0.657 240 HG12 ILE 30 HG12 ILE 30 3.981 3.873 1.049 241 HG13 ILE 30 HG11 ILE 30 5.726 3.982 1.246 242 HG21 ILE 30 HG21 ILE 30 5.518 2.229 3.243 243 HG22 ILE 30 HG22 ILE 30 4.501 0.823 2.931 244 HG23 ILE 30 HG23 ILE 30 3.798 2.441 2.921 245 HD11 ILE 30 HD11 ILE 30 6.070 3.333 -1.041 246 HD12 ILE 30 HD12 ILE 30 4.947 4.693 -0.974 247 HD13 ILE 30 HD13 ILE 30 4.340 3.062 -1.259 248 HA PRO 31 HA PRO 31 8.084 -1.727 3.113 249 HB2 PRO 31 HB2 PRO 31 8.909 -0.688 5.480 250 HB3 PRO 31 HB1 PRO 31 9.889 -0.629 4.011 251 HG2 PRO 31 HG2 PRO 31 8.183 1.496 5.239 252 HG3 PRO 31 HG1 PRO 31 9.791 1.634 4.504 253 HD2 PRO 31 HD2 PRO 31 7.504 2.326 3.207 254 HD3 PRO 31 HD1 PRO 31 8.943 1.719 2.367 255 H GLU 32 HN GLU 32 7.240 -3.094 4.678 256 HA GLU 32 HA GLU 32 4.628 -3.177 5.229 257 HB2 GLU 32 HB2 GLU 32 6.161 -4.984 5.802 258 HB3 GLU 32 HB1 GLU 32 6.802 -4.040 7.139 259 HG2 GLU 32 HG2 GLU 32 4.556 -4.068 8.179 260 HG3 GLU 32 HG1 GLU 32 4.007 -5.120 6.876 261 H ASP 33 HN ASP 33 6.983 -1.537 7.344 262 HA ASP 33 HA ASP 33 5.435 -0.809 9.447 263 HB2 ASP 33 HB2 ASP 33 7.442 0.960 8.039 264 HB3 ASP 33 HB1 ASP 33 6.860 1.187 9.685 265 H GLU 34 HN GLU 34 5.942 1.510 6.769 266 HA GLU 34 HA GLU 34 3.665 3.045 7.518 267 HB2 GLU 34 HB2 GLU 34 4.218 3.660 4.841 268 HB3 GLU 34 HB1 GLU 34 4.746 4.541 6.266 269 HG2 GLU 34 HG2 GLU 34 6.316 2.194 5.314 270 HG3 GLU 34 HG1 GLU 34 6.467 3.746 4.491 271 H LEU 35 HN LEU 35 4.079 0.234 5.630 272 HA LEU 35 HA LEU 35 1.896 0.497 3.867 273 HB2 LEU 35 HB2 LEU 35 3.737 -1.158 3.621 274 HB3 LEU 35 HB1 LEU 35 3.090 -2.038 4.993 275 HG LEU 35 HG LEU 35 0.912 -2.165 3.584 276 HD11 LEU 35 HD11 LEU 35 2.941 -1.707 1.401 277 HD12 LEU 35 HD12 LEU 35 1.675 -0.573 1.867 278 HD13 LEU 35 HD13 LEU 35 1.244 -2.143 1.191 279 HD21 LEU 35 HD21 LEU 35 2.289 -4.085 4.183 280 HD22 LEU 35 HD22 LEU 35 3.371 -3.742 2.833 281 HD23 LEU 35 HD23 LEU 35 1.702 -4.221 2.525 282 H GLU 36 HN GLU 36 2.210 -0.588 7.174 283 HA GLU 36 HA GLU 36 -0.190 -1.922 7.551 284 HB2 GLU 36 HB2 GLU 36 1.617 -1.802 9.226 285 HB3 GLU 36 HB1 GLU 36 1.234 -0.109 9.509 286 HG2 GLU 36 HG2 GLU 36 -0.999 -0.762 10.291 287 HG3 GLU 36 HG1 GLU 36 -0.574 -2.455 10.044 288 H GLU 37 HN GLU 37 0.485 1.533 7.517 289 HA GLU 37 HA GLU 37 -1.903 2.518 8.532 290 HB2 GLU 37 HB2 GLU 37 0.148 3.847 7.948 291 HB3 GLU 37 HB1 GLU 37 -0.323 3.733 6.259 292 HG2 GLU 37 HG2 GLU 37 -2.153 4.894 8.328 293 HG3 GLU 37 HG1 GLU 37 -0.915 5.863 7.531 294 H ILE 38 HN ILE 38 -1.111 1.371 5.305 295 HA ILE 38 HA ILE 38 -3.495 2.189 4.024 296 HB ILE 38 HB ILE 38 -1.686 -0.131 3.327 297 HG12 ILE 38 HG12 ILE 38 -1.651 2.714 2.297 298 HG13 ILE 38 HG11 ILE 38 -0.521 2.061 3.478 299 HG21 ILE 38 HG21 ILE 38 -3.664 1.385 1.632 300 HG22 ILE 38 HG22 ILE 38 -3.859 -0.262 2.233 301 HG23 ILE 38 HG23 ILE 38 -2.585 0.107 1.072 302 HD11 ILE 38 HD11 ILE 38 0.484 2.108 1.286 303 HD12 ILE 38 HD12 ILE 38 -0.845 1.151 0.627 304 HD13 ILE 38 HD13 ILE 38 0.254 0.440 1.809 305 H ARG 39 HN ARG 39 -2.484 -1.013 5.203 306 HA ARG 39 HA ARG 39 -4.906 -2.328 4.740 307 HB2 ARG 39 HB2 ARG 39 -2.879 -2.945 6.894 308 HB3 ARG 39 HB1 ARG 39 -4.075 -4.053 6.236 309 HG2 ARG 39 HG2 ARG 39 -2.727 -4.635 4.581 310 HG3 ARG 39 HG1 ARG 39 -2.464 -2.949 4.130 311 HD2 ARG 39 HD2 ARG 39 -0.353 -3.991 4.692 312 HD3 ARG 39 HD1 ARG 39 -0.756 -2.765 5.894 313 HE ARG 39 HE ARG 39 -1.686 -5.284 6.752 314 HH11 ARG 39 HH11 ARG 39 1.270 -3.492 6.307 315 HH12 ARG 39 HH12 ARG 39 2.127 -4.351 7.542 316 HH21 ARG 39 HH21 ARG 39 -0.561 -6.420 8.380 317 HH22 ARG 39 HH22 ARG 39 1.088 -6.014 8.718 318 H GLU 40 HN GLU 40 -3.639 -1.468 7.951 319 HA GLU 40 HA GLU 40 -5.761 -1.931 9.523 320 HB2 GLU 40 HB2 GLU 40 -3.660 -1.076 10.382 321 HB3 GLU 40 HB1 GLU 40 -3.970 0.496 9.657 322 HG2 GLU 40 HG2 GLU 40 -5.909 0.780 11.126 323 HG3 GLU 40 HG1 GLU 40 -5.570 -0.785 11.862 324 H ALA 41 HN ALA 41 -5.551 0.710 7.233 325 HA ALA 41 HA ALA 41 -7.685 2.250 8.263 326 HB1 ALA 41 HB1 ALA 41 -6.673 2.129 5.428 327 HB2 ALA 41 HB2 ALA 41 -6.004 3.135 6.712 328 HB3 ALA 41 HB3 ALA 41 -7.649 3.413 6.140 329 H PHE 42 HN PHE 42 -7.891 0.806 5.033 330 HA PHE 42 HA PHE 42 -10.724 0.535 5.325 331 HB2 PHE 42 HB2 PHE 42 -8.773 0.041 3.116 332 HB3 PHE 42 HB1 PHE 42 -10.415 -0.574 2.986 333 HD1 PHE 42 HD2 PHE 42 -8.550 2.564 3.712 334 HD2 PHE 42 HD1 PHE 42 -12.075 0.777 2.134 335 HE1 PHE 42 HE2 PHE 42 -9.325 4.772 2.950 336 HE2 PHE 42 HE1 PHE 42 -12.856 2.981 1.369 337 HZ PHE 42 HZ PHE 42 -11.482 4.983 1.778 338 H LYS 43 HN LYS 43 -8.021 -1.646 5.613 339 HA LYS 43 HA LYS 43 -9.352 -4.067 5.182 340 HB2 LYS 43 HB2 LYS 43 -6.787 -3.400 5.788 341 HB3 LYS 43 HB1 LYS 43 -7.312 -4.110 7.309 342 HG2 LYS 43 HG2 LYS 43 -6.772 -6.068 6.407 343 HG3 LYS 43 HG1 LYS 43 -8.232 -5.898 5.430 344 HD2 LYS 43 HD2 LYS 43 -5.467 -4.970 4.649 345 HD3 LYS 43 HD1 LYS 43 -6.272 -6.420 4.050 346 HE2 LYS 43 HE2 LYS 43 -7.228 -3.582 3.673 347 HE3 LYS 43 HE1 LYS 43 -6.424 -4.569 2.453 348 HZ1 LYS 43 HZ1 LYS 43 -9.031 -5.214 3.725 349 HZ2 LYS 43 HZ2 LYS 43 -8.268 -6.109 2.508 350 HZ3 LYS 43 HZ3 LYS 43 -8.836 -4.549 2.181 351 H VAL 44 HN VAL 44 -9.021 -2.146 8.187 352 HA VAL 44 HA VAL 44 -10.331 -4.087 9.800 353 HB VAL 44 HB VAL 44 -10.553 -2.394 11.502 354 HG11 VAL 44 HG11 VAL 44 -7.924 -2.245 10.041 355 HG12 VAL 44 HG12 VAL 44 -8.382 -3.393 11.300 356 HG13 VAL 44 HG13 VAL 44 -8.188 -1.686 11.692 357 HG21 VAL 44 HG21 VAL 44 -9.875 -0.060 11.093 358 HG22 VAL 44 HG22 VAL 44 -11.300 -0.526 10.163 359 HG23 VAL 44 HG23 VAL 44 -9.727 -0.426 9.375 360 H PHE 45 HN PHE 45 -11.503 -1.393 7.830 361 HA PHE 45 HA PHE 45 -14.105 -1.259 8.856 362 HB2 PHE 45 HB2 PHE 45 -13.016 -0.686 6.103 363 HB3 PHE 45 HB1 PHE 45 -14.725 -0.499 6.479 364 HD1 PHE 45 HD2 PHE 45 -14.906 0.738 8.996 365 HD2 PHE 45 HD1 PHE 45 -11.956 1.341 5.991 366 HE1 PHE 45 HE2 PHE 45 -14.470 2.993 9.880 367 HE2 PHE 45 HE1 PHE 45 -11.512 3.593 6.869 368 HZ PHE 45 HZ PHE 45 -12.772 4.424 8.816 369 H ASP 46 HN ASP 46 -12.575 -3.745 7.098 370 HA ASP 46 HA ASP 46 -14.859 -4.919 5.882 371 HB2 ASP 46 HB2 ASP 46 -12.373 -5.371 5.382 372 HB3 ASP 46 HB1 ASP 46 -12.415 -6.440 6.780 373 H ARG 47 HN ARG 47 -16.515 -5.053 7.364 374 HA ARG 47 HA ARG 47 -16.367 -5.896 10.002 375 HB2 ARG 47 HB2 ARG 47 -18.686 -6.286 8.107 376 HB3 ARG 47 HB1 ARG 47 -18.769 -6.273 9.864 377 HG2 ARG 47 HG2 ARG 47 -17.955 -3.918 9.816 378 HG3 ARG 47 HG1 ARG 47 -18.085 -3.967 8.058 379 HD2 ARG 47 HD2 ARG 47 -20.347 -4.432 9.997 380 HD3 ARG 47 HD1 ARG 47 -20.058 -2.943 9.099 381 HE ARG 47 HE ARG 47 -20.225 -5.025 7.253 382 HH11 ARG 47 HH11 ARG 47 -22.274 -3.408 9.563 383 HH12 ARG 47 HH12 ARG 47 -23.729 -3.702 8.672 384 HH21 ARG 47 HH21 ARG 47 -22.137 -5.412 6.070 385 HH22 ARG 47 HH22 ARG 47 -23.651 -4.841 6.686 386 H ASP 48 HN ASP 48 -16.981 -7.847 7.088 387 HA ASP 48 HA ASP 48 -17.227 -10.277 8.588 388 HB2 ASP 48 HB2 ASP 48 -16.690 -10.117 5.631 389 HB3 ASP 48 HB1 ASP 48 -17.574 -11.354 6.519 390 H GLY 49 HN GLY 49 -14.602 -8.451 7.449 391 HA2 GLY 49 HA2 GLY 49 -12.339 -8.821 7.409 392 HA3 GLY 49 HA1 GLY 49 -12.650 -10.087 8.587 393 H ASN 50 HN ASN 50 -14.119 -10.263 5.443 394 HA ASN 50 HA ASN 50 -12.928 -12.798 4.918 395 HB2 ASN 50 HB2 ASN 50 -14.385 -11.048 2.932 396 HB3 ASN 50 HB1 ASN 50 -14.209 -12.799 2.895 397 HD21 ASN 50 HD21 ASN 50 -14.713 -13.136 5.723 398 HD22 ASN 50 HD22 ASN 50 -16.405 -12.875 5.953 399 H GLY 51 HN GLY 51 -11.786 -9.682 4.563 400 HA2 GLY 51 HA2 GLY 51 -9.591 -9.202 3.798 401 HA3 GLY 51 HA1 GLY 51 -9.679 -10.612 2.748 402 H PHE 52 HN PHE 52 -12.543 -9.480 2.192 403 HA PHE 52 HA PHE 52 -11.696 -7.503 0.178 404 HB2 PHE 52 HB2 PHE 52 -14.067 -9.298 -0.237 405 HB3 PHE 52 HB1 PHE 52 -13.095 -8.451 -1.435 406 HD1 PHE 52 HD2 PHE 52 -10.927 -9.335 -2.131 407 HD2 PHE 52 HD1 PHE 52 -13.417 -11.438 0.608 408 HE1 PHE 52 HE2 PHE 52 -9.606 -11.378 -2.501 409 HE2 PHE 52 HE1 PHE 52 -12.099 -13.481 0.246 410 HZ PHE 52 HZ PHE 52 -10.190 -13.455 -1.312 411 H ILE 53 HN ILE 53 -12.744 -5.611 0.204 412 HA ILE 53 HA ILE 53 -14.872 -5.256 2.166 413 HB ILE 53 HB ILE 53 -13.354 -3.196 0.563 414 HG12 ILE 53 HG12 ILE 53 -13.071 -3.711 3.512 415 HG13 ILE 53 HG11 ILE 53 -12.141 -4.648 2.346 416 HG21 ILE 53 HG21 ILE 53 -15.550 -2.391 1.220 417 HG22 ILE 53 HG22 ILE 53 -14.292 -1.584 2.156 418 HG23 ILE 53 HG23 ILE 53 -15.244 -2.873 2.890 419 HD11 ILE 53 HD11 ILE 53 -12.088 -1.664 2.692 420 HD12 ILE 53 HD12 ILE 53 -11.199 -2.561 1.461 421 HD13 ILE 53 HD13 ILE 53 -10.833 -2.806 3.169 422 H SER 54 HN SER 54 -16.825 -5.745 1.400 423 HA SER 54 HA SER 54 -17.661 -5.470 -1.283 424 HB2 SER 54 HB2 SER 54 -19.285 -5.687 1.263 425 HB3 SER 54 HB1 SER 54 -19.962 -5.801 -0.360 426 HG SER 54 HG SER 54 -18.825 -7.669 -0.698 427 H LYS 55 HN LYS 55 -19.842 -4.119 -1.669 428 HA LYS 55 HA LYS 55 -19.057 -1.410 -1.653 429 HB2 LYS 55 HB2 LYS 55 -21.769 -2.639 -2.173 430 HB3 LYS 55 HB1 LYS 55 -21.353 -0.962 -2.489 431 HG2 LYS 55 HG2 LYS 55 -21.118 -1.906 -4.567 432 HG3 LYS 55 HG1 LYS 55 -19.466 -1.974 -3.957 433 HD2 LYS 55 HD2 LYS 55 -20.012 -4.076 -4.995 434 HD3 LYS 55 HD1 LYS 55 -19.872 -4.317 -3.253 435 HE2 LYS 55 HE2 LYS 55 -22.304 -4.231 -3.041 436 HE3 LYS 55 HE1 LYS 55 -22.452 -3.968 -4.777 437 HZ1 LYS 55 HZ1 LYS 55 -22.837 -6.282 -4.174 438 HZ2 LYS 55 HZ2 LYS 55 -21.289 -6.385 -3.501 439 HZ3 LYS 55 HZ3 LYS 55 -21.472 -6.134 -5.164 440 H GLN 56 HN GLN 56 -21.489 -3.171 0.246 441 HA GLN 56 HA GLN 56 -22.447 -0.972 1.702 442 HB2 GLN 56 HB2 GLN 56 -22.328 -3.873 2.542 443 HB3 GLN 56 HB1 GLN 56 -23.332 -2.633 3.279 444 HG2 GLN 56 HG2 GLN 56 -23.537 -3.597 0.436 445 HG3 GLN 56 HG1 GLN 56 -24.603 -4.057 1.761 446 HE21 GLN 56 HE21 GLN 56 -25.245 -2.753 -0.754 447 HE22 GLN 56 HE22 GLN 56 -25.994 -1.251 -0.346 448 H GLU 57 HN GLU 57 -19.694 -3.090 2.210 449 HA GLU 57 HA GLU 57 -19.120 -2.220 4.856 450 HB2 GLU 57 HB2 GLU 57 -17.401 -3.573 2.773 451 HB3 GLU 57 HB1 GLU 57 -16.882 -3.273 4.426 452 HG2 GLU 57 HG2 GLU 57 -18.598 -4.704 5.290 453 HG3 GLU 57 HG1 GLU 57 -19.304 -4.896 3.686 454 H LEU 58 HN LEU 58 -17.768 -1.369 1.674 455 HA LEU 58 HA LEU 58 -15.951 0.556 2.679 456 HB2 LEU 58 HB2 LEU 58 -15.747 -0.473 0.443 457 HB3 LEU 58 HB1 LEU 58 -17.195 0.372 -0.069 458 HG LEU 58 HG LEU 58 -15.225 2.216 0.991 459 HD11 LEU 58 HD11 LEU 58 -13.599 1.998 -0.822 460 HD12 LEU 58 HD12 LEU 58 -14.408 0.529 -1.370 461 HD13 LEU 58 HD13 LEU 58 -13.619 0.566 0.206 462 HD21 LEU 58 HD21 LEU 58 -16.622 1.897 -1.661 463 HD22 LEU 58 HD22 LEU 58 -15.614 3.275 -1.223 464 HD23 LEU 58 HD23 LEU 58 -17.096 2.946 -0.325 465 H GLY 59 HN GLY 59 -19.330 0.552 2.198 466 HA2 GLY 59 HA2 GLY 59 -19.755 3.334 1.791 467 HA3 GLY 59 HA1 GLY 59 -20.946 2.181 2.382 468 H THR 60 HN THR 60 -18.982 1.409 4.531 469 HA THR 60 HA THR 60 -19.859 3.359 6.481 470 HB THR 60 HB THR 60 -18.153 0.887 6.873 471 HG1 THR 60 HG1 THR 60 -20.661 0.693 7.827 472 HG21 THR 60 HG21 THR 60 -19.703 2.553 8.862 473 HG22 THR 60 HG22 THR 60 -17.948 2.516 8.697 474 HG23 THR 60 HG23 THR 60 -18.815 1.073 9.222 475 H ALA 61 HN ALA 61 -16.982 2.490 4.746 476 HA ALA 61 HA ALA 61 -15.106 3.830 6.408 477 HB1 ALA 61 HB1 ALA 61 -14.458 2.087 4.810 478 HB2 ALA 61 HB2 ALA 61 -13.563 3.584 4.547 479 HB3 ALA 61 HB3 ALA 61 -14.898 3.154 3.476 480 H MET 62 HN MET 62 -16.993 4.804 3.582 481 HA MET 62 HA MET 62 -15.746 7.330 3.250 482 HB2 MET 62 HB2 MET 62 -18.442 6.317 2.341 483 HB3 MET 62 HB1 MET 62 -17.747 7.855 1.848 484 HG2 MET 62 HG2 MET 62 -16.614 5.123 1.294 485 HG3 MET 62 HG1 MET 62 -17.413 6.184 0.137 486 HE1 MET 62 HE1 MET 62 -15.379 6.065 -1.576 487 HE2 MET 62 HE2 MET 62 -14.629 4.902 -0.480 488 HE3 MET 62 HE3 MET 62 -13.698 6.273 -1.086 489 H ARG 63 HN ARG 63 -18.794 6.354 4.815 490 HA ARG 63 HA ARG 63 -19.618 8.916 5.583 491 HB2 ARG 63 HB2 ARG 63 -21.063 7.797 7.202 492 HB3 ARG 63 HB1 ARG 63 -21.096 6.961 5.656 493 HG2 ARG 63 HG2 ARG 63 -19.598 5.262 6.513 494 HG3 ARG 63 HG1 ARG 63 -19.481 6.116 8.053 495 HD2 ARG 63 HD2 ARG 63 -22.003 4.961 6.869 496 HD3 ARG 63 HD1 ARG 63 -21.050 4.231 8.160 497 HE ARG 63 HE ARG 63 -21.989 6.919 8.678 498 HH11 ARG 63 HH11 ARG 63 -22.593 3.503 9.014 499 HH12 ARG 63 HH12 ARG 63 -23.677 3.696 10.351 500 HH21 ARG 63 HH21 ARG 63 -23.414 7.181 10.439 501 HH22 ARG 63 HH22 ARG 63 -24.142 5.786 11.162 502 H SER 64 HN SER 64 -17.334 6.696 7.006 503 HA SER 64 HA SER 64 -17.075 7.711 9.563 504 HB2 SER 64 HB2 SER 64 -15.900 5.696 8.806 505 HB3 SER 64 HB1 SER 64 -14.871 6.676 7.761 506 HG SER 64 HG SER 64 -14.987 6.710 10.593 507 H LEU 65 HN LEU 65 -15.836 8.978 6.534 508 HA LEU 65 HA LEU 65 -14.287 11.045 7.846 509 HB2 LEU 65 HB2 LEU 65 -14.938 10.879 4.912 510 HB3 LEU 65 HB1 LEU 65 -13.589 11.699 5.673 511 HG LEU 65 HG LEU 65 -13.962 8.708 5.512 512 HD11 LEU 65 HD11 LEU 65 -12.060 8.779 3.985 513 HD12 LEU 65 HD12 LEU 65 -12.040 10.539 4.084 514 HD13 LEU 65 HD13 LEU 65 -13.418 9.712 3.359 515 HD21 LEU 65 HD21 LEU 65 -12.799 9.322 7.546 516 HD22 LEU 65 HD22 LEU 65 -11.704 10.363 6.637 517 HD23 LEU 65 HD23 LEU 65 -11.663 8.617 6.395 518 H GLY 66 HN GLY 66 -17.483 10.610 6.725 519 HA2 GLY 66 HA2 GLY 66 -19.086 12.287 7.560 520 HA3 GLY 66 HA1 GLY 66 -17.967 13.514 6.987 521 H TYR 67 HN TYR 67 -18.412 10.724 5.016 522 HA TYR 67 HA TYR 67 -20.175 12.274 3.233 523 HB2 TYR 67 HB2 TYR 67 -17.982 10.362 2.403 524 HB3 TYR 67 HB1 TYR 67 -19.024 11.281 1.322 525 HD1 TYR 67 HD1 TYR 67 -18.719 13.690 1.050 526 HD2 TYR 67 HD2 TYR 67 -16.141 11.421 3.560 527 HE1 TYR 67 HE1 TYR 67 -17.117 15.555 1.081 528 HE2 TYR 67 HE2 TYR 67 -14.531 13.280 3.598 529 HH TYR 67 HH TYR 67 -13.934 15.228 2.326 530 H MET 68 HN MET 68 -22.124 11.356 3.485 531 HA MET 68 HA MET 68 -22.442 8.528 3.922 532 HB2 MET 68 HB2 MET 68 -24.549 10.622 3.368 533 HB3 MET 68 HB1 MET 68 -24.826 9.009 4.010 534 HG2 MET 68 HG2 MET 68 -23.313 11.226 5.370 535 HG3 MET 68 HG1 MET 68 -24.941 10.678 5.761 536 HE1 MET 68 HE1 MET 68 -24.261 7.052 7.093 537 HE2 MET 68 HE2 MET 68 -24.743 7.585 5.482 538 HE3 MET 68 HE3 MET 68 -25.481 8.311 6.909 539 HA PRO 69 HA PRO 69 -22.743 7.914 -0.548 540 HB2 PRO 69 HB2 PRO 69 -22.011 5.352 -0.606 541 HB3 PRO 69 HB1 PRO 69 -20.832 6.624 -0.264 542 HG2 PRO 69 HG2 PRO 69 -22.179 4.733 1.610 543 HG3 PRO 69 HG1 PRO 69 -20.516 5.344 1.633 544 HD2 PRO 69 HD2 PRO 69 -22.640 6.316 3.172 545 HD3 PRO 69 HD1 PRO 69 -21.102 7.149 2.879 546 H ASN 70 HN ASN 70 -24.586 7.527 -1.613 547 HA ASN 70 HA ASN 70 -26.779 6.189 -0.344 548 HB2 ASN 70 HB2 ASN 70 -26.491 7.237 -3.170 549 HB3 ASN 70 HB1 ASN 70 -27.997 6.687 -2.438 550 HD21 ASN 70 HD21 ASN 70 -25.579 9.176 -2.504 551 HD22 ASN 70 HD22 ASN 70 -26.475 10.352 -1.610 552 H GLU 71 HN GLU 71 -28.092 4.694 -2.059 553 HA GLU 71 HA GLU 71 -26.687 2.250 -2.084 554 HB2 GLU 71 HB2 GLU 71 -28.634 1.383 -3.346 555 HB3 GLU 71 HB1 GLU 71 -29.099 2.283 -1.909 556 HG2 GLU 71 HG2 GLU 71 -29.599 4.233 -3.296 557 HG3 GLU 71 HG1 GLU 71 -29.148 3.319 -4.735 558 H VAL 72 HN VAL 72 -27.262 4.683 -4.551 559 HA VAL 72 HA VAL 72 -26.097 3.056 -6.643 560 HB VAL 72 HB VAL 72 -27.946 4.589 -7.162 561 HG11 VAL 72 HG11 VAL 72 -25.975 6.773 -6.500 562 HG12 VAL 72 HG12 VAL 72 -27.428 6.368 -5.586 563 HG13 VAL 72 HG13 VAL 72 -27.565 7.009 -7.223 564 HG21 VAL 72 HG21 VAL 72 -26.984 5.590 -9.172 565 HG22 VAL 72 HG22 VAL 72 -26.383 3.951 -8.926 566 HG23 VAL 72 HG23 VAL 72 -25.361 5.333 -8.530 567 H GLU 73 HN GLU 73 -25.074 5.491 -4.398 568 HA GLU 73 HA GLU 73 -22.796 6.432 -5.766 569 HB2 GLU 73 HB2 GLU 73 -23.478 6.327 -2.831 570 HB3 GLU 73 HB1 GLU 73 -22.014 7.083 -3.445 571 HG2 GLU 73 HG2 GLU 73 -24.818 7.871 -4.204 572 HG3 GLU 73 HG1 GLU 73 -23.814 8.694 -3.011 573 H LEU 74 HN LEU 74 -22.994 4.061 -3.094 574 HA LEU 74 HA LEU 74 -20.308 3.326 -3.127 575 HB2 LEU 74 HB2 LEU 74 -21.162 1.156 -2.095 576 HB3 LEU 74 HB1 LEU 74 -21.511 2.651 -1.254 577 HG LEU 74 HG LEU 74 -23.791 2.556 -2.475 578 HD11 LEU 74 HD11 LEU 74 -24.571 0.335 -3.031 579 HD12 LEU 74 HD12 LEU 74 -22.989 -0.342 -2.653 580 HD13 LEU 74 HD13 LEU 74 -23.174 0.750 -4.023 581 HD21 LEU 74 HD21 LEU 74 -24.706 1.120 -0.695 582 HD22 LEU 74 HD22 LEU 74 -23.548 2.300 -0.084 583 HD23 LEU 74 HD23 LEU 74 -23.067 0.615 -0.284 584 H GLU 75 HN GLU 75 -22.687 2.704 -5.456 585 HA GLU 75 HA GLU 75 -21.526 0.251 -6.440 586 HB2 GLU 75 HB2 GLU 75 -23.683 2.057 -7.530 587 HB3 GLU 75 HB1 GLU 75 -23.151 0.586 -8.334 588 HG2 GLU 75 HG2 GLU 75 -24.293 0.702 -5.553 589 HG3 GLU 75 HG1 GLU 75 -25.207 0.296 -7.005 590 H VAL 76 HN VAL 76 -21.318 3.676 -7.177 591 HA VAL 76 HA VAL 76 -19.812 3.163 -9.608 592 HB VAL 76 HB VAL 76 -19.728 5.596 -9.880 593 HG11 VAL 76 HG11 VAL 76 -22.130 5.974 -10.192 594 HG12 VAL 76 HG12 VAL 76 -22.478 4.546 -9.218 595 HG13 VAL 76 HG13 VAL 76 -21.640 4.378 -10.761 596 HG21 VAL 76 HG21 VAL 76 -21.324 5.736 -7.325 597 HG22 VAL 76 HG22 VAL 76 -20.833 7.089 -8.343 598 HG23 VAL 76 HG23 VAL 76 -19.618 6.156 -7.469 599 H ILE 77 HN ILE 77 -19.225 3.889 -6.293 600 HA ILE 77 HA ILE 77 -16.540 4.857 -6.699 601 HB ILE 77 HB ILE 77 -17.905 3.974 -4.154 602 HG12 ILE 77 HG12 ILE 77 -17.410 6.834 -4.705 603 HG13 ILE 77 HG11 ILE 77 -18.639 6.072 -5.710 604 HG21 ILE 77 HG21 ILE 77 -15.397 5.596 -4.577 605 HG22 ILE 77 HG22 ILE 77 -15.476 3.943 -3.966 606 HG23 ILE 77 HG23 ILE 77 -16.161 5.266 -3.022 607 HD11 ILE 77 HD11 ILE 77 -19.805 5.338 -3.682 608 HD12 ILE 77 HD12 ILE 77 -19.653 7.092 -3.782 609 HD13 ILE 77 HD13 ILE 77 -18.599 6.176 -2.706 610 H ILE 78 HN ILE 78 -18.088 1.800 -6.019 611 HA ILE 78 HA ILE 78 -15.600 0.482 -5.343 612 HB ILE 78 HB ILE 78 -18.426 -0.521 -5.639 613 HG12 ILE 78 HG12 ILE 78 -17.858 0.807 -3.622 614 HG13 ILE 78 HG11 ILE 78 -18.295 -0.854 -3.239 615 HG21 ILE 78 HG21 ILE 78 -15.946 -2.112 -5.005 616 HG22 ILE 78 HG22 ILE 78 -17.017 -2.318 -6.392 617 HG23 ILE 78 HG23 ILE 78 -17.594 -2.691 -4.767 618 HD11 ILE 78 HD11 ILE 78 -15.971 -1.433 -2.937 619 HD12 ILE 78 HD12 ILE 78 -16.387 -0.044 -1.931 620 HD13 ILE 78 HD13 ILE 78 -15.480 0.190 -3.425 621 H GLN 79 HN GLN 79 -17.470 1.058 -8.199 622 HA GLN 79 HA GLN 79 -16.498 -1.208 -9.660 623 HB2 GLN 79 HB2 GLN 79 -17.545 -0.207 -11.590 624 HB3 GLN 79 HB1 GLN 79 -18.631 -0.072 -10.216 625 HG2 GLN 79 HG2 GLN 79 -18.076 2.246 -9.937 626 HG3 GLN 79 HG1 GLN 79 -16.845 2.141 -11.193 627 HE21 GLN 79 HE21 GLN 79 -17.792 3.722 -12.453 628 HE22 GLN 79 HE22 GLN 79 -19.266 3.465 -13.318 629 H ARG 80 HN ARG 80 -15.199 1.815 -8.790 630 HA ARG 80 HA ARG 80 -13.463 2.155 -11.041 631 HB2 ARG 80 HB2 ARG 80 -13.393 3.362 -8.271 632 HB3 ARG 80 HB1 ARG 80 -12.334 3.842 -9.589 633 HG2 ARG 80 HG2 ARG 80 -15.337 4.033 -9.651 634 HG3 ARG 80 HG1 ARG 80 -14.248 5.363 -9.257 635 HD2 ARG 80 HD2 ARG 80 -14.380 3.853 -11.866 636 HD3 ARG 80 HD1 ARG 80 -14.930 5.504 -11.578 637 HE ARG 80 HE ARG 80 -12.180 5.191 -10.924 638 HH11 ARG 80 HH11 ARG 80 -14.381 5.582 -13.597 639 HH12 ARG 80 HH12 ARG 80 -13.195 6.297 -14.637 640 HH21 ARG 80 HH21 ARG 80 -10.611 6.133 -12.285 641 HH22 ARG 80 HH22 ARG 80 -11.051 6.610 -13.891 642 H LEU 81 HN LEU 81 -13.071 0.902 -7.747 643 HA LEU 81 HA LEU 81 -10.305 0.223 -8.185 644 HB2 LEU 81 HB2 LEU 81 -12.179 -0.500 -5.930 645 HB3 LEU 81 HB1 LEU 81 -10.458 -0.833 -5.951 646 HG LEU 81 HG LEU 81 -10.179 1.724 -6.215 647 HD11 LEU 81 HD11 LEU 81 -11.992 3.027 -5.184 648 HD12 LEU 81 HD12 LEU 81 -13.000 1.580 -5.167 649 HD13 LEU 81 HD13 LEU 81 -12.481 2.275 -6.702 650 HD21 LEU 81 HD21 LEU 81 -9.525 0.489 -4.230 651 HD22 LEU 81 HD22 LEU 81 -11.187 0.516 -3.643 652 HD23 LEU 81 HD23 LEU 81 -10.277 2.020 -3.783 653 H ASP 82 HN ASP 82 -13.372 -1.523 -7.941 654 HA ASP 82 HA ASP 82 -12.284 -4.118 -8.225 655 HB2 ASP 82 HB2 ASP 82 -14.522 -3.692 -7.292 656 HB3 ASP 82 HB1 ASP 82 -15.068 -3.115 -8.863 657 H MET 83 HN MET 83 -10.781 -3.797 -9.969 658 HA MET 83 HA MET 83 -11.630 -3.114 -12.595 659 HB2 MET 83 HB2 MET 83 -9.143 -4.570 -11.685 660 HB3 MET 83 HB1 MET 83 -9.394 -3.880 -13.282 661 HG2 MET 83 HG2 MET 83 -9.513 -1.653 -12.327 662 HG3 MET 83 HG1 MET 83 -9.329 -2.324 -10.707 663 HE1 MET 83 HE1 MET 83 -7.607 -1.760 -14.193 664 HE2 MET 83 HE2 MET 83 -7.469 -3.505 -13.981 665 HE3 MET 83 HE3 MET 83 -6.025 -2.493 -13.931 666 H ASP 84 HN ASP 84 -10.816 -6.225 -11.064 667 HA ASP 84 HA ASP 84 -11.360 -7.774 -13.373 668 HB2 ASP 84 HB2 ASP 84 -11.281 -9.708 -11.854 669 HB3 ASP 84 HB1 ASP 84 -9.928 -8.613 -11.589 670 H GLY 85 HN GLY 85 -13.403 -6.366 -10.997 671 HA2 GLY 85 HA2 GLY 85 -15.710 -6.206 -11.008 672 HA3 GLY 85 HA1 GLY 85 -15.739 -7.256 -12.414 673 H ASP 86 HN ASP 86 -14.292 -8.003 -9.273 674 HA ASP 86 HA ASP 86 -15.817 -10.448 -9.151 675 HB2 ASP 86 HB2 ASP 86 -14.526 -10.922 -7.127 676 HB3 ASP 86 HB1 ASP 86 -13.467 -10.403 -8.432 677 H GLY 87 HN GLY 87 -16.145 -7.256 -7.945 678 HA2 GLY 87 HA2 GLY 87 -18.372 -6.650 -7.140 679 HA3 GLY 87 HA1 GLY 87 -18.382 -8.160 -6.240 680 H GLN 88 HN GLN 88 -15.506 -7.704 -5.507 681 HA GLN 88 HA GLN 88 -15.898 -5.567 -3.516 682 HB2 GLN 88 HB2 GLN 88 -14.528 -8.224 -3.067 683 HB3 GLN 88 HB1 GLN 88 -14.702 -6.940 -1.878 684 HG2 GLN 88 HG2 GLN 88 -17.107 -7.209 -1.893 685 HG3 GLN 88 HG1 GLN 88 -16.982 -8.433 -3.155 686 HE21 GLN 88 HE21 GLN 88 -16.477 -7.711 0.204 687 HE22 GLN 88 HE22 GLN 88 -16.266 -9.343 0.733 688 H VAL 89 HN VAL 89 -13.768 -4.869 -2.520 689 HA VAL 89 HA VAL 89 -11.848 -4.463 -4.689 690 HB VAL 89 HB VAL 89 -11.959 -3.095 -1.997 691 HG11 VAL 89 HG11 VAL 89 -9.758 -3.026 -3.040 692 HG12 VAL 89 HG12 VAL 89 -10.507 -1.429 -3.051 693 HG13 VAL 89 HG13 VAL 89 -10.470 -2.395 -4.526 694 HG21 VAL 89 HG21 VAL 89 -12.953 -1.200 -3.214 695 HG22 VAL 89 HG22 VAL 89 -13.987 -2.628 -3.246 696 HG23 VAL 89 HG23 VAL 89 -13.038 -2.194 -4.668 697 H ASP 90 HN ASP 90 -10.026 -5.576 -4.776 698 HA ASP 90 HA ASP 90 -9.191 -7.186 -2.515 699 HB2 ASP 90 HB2 ASP 90 -9.192 -8.163 -4.770 700 HB3 ASP 90 HB1 ASP 90 -8.018 -6.958 -5.295 701 H PHE 91 HN PHE 91 -7.144 -7.105 -1.541 702 HA PHE 91 HA PHE 91 -6.177 -4.650 -0.800 703 HB2 PHE 91 HB2 PHE 91 -5.691 -6.761 0.371 704 HB3 PHE 91 HB1 PHE 91 -4.614 -7.235 -0.936 705 HD1 PHE 91 HD2 PHE 91 -4.979 -3.972 0.850 706 HD2 PHE 91 HD1 PHE 91 -2.496 -7.308 -0.057 707 HE1 PHE 91 HE2 PHE 91 -3.101 -2.887 2.013 708 HE2 PHE 91 HE1 PHE 91 -0.616 -6.229 1.104 709 HZ PHE 91 HZ PHE 91 -0.917 -4.017 2.140 710 H GLU 92 HN GLU 92 -4.782 -6.772 -3.314 711 HA GLU 92 HA GLU 92 -2.610 -5.192 -4.009 712 HB2 GLU 92 HB2 GLU 92 -4.290 -6.975 -5.781 713 HB3 GLU 92 HB1 GLU 92 -2.719 -6.321 -6.224 714 HG2 GLU 92 HG2 GLU 92 -1.719 -7.507 -4.309 715 HG3 GLU 92 HG1 GLU 92 -3.295 -8.214 -3.956 716 H GLU 93 HN GLU 93 -5.868 -5.143 -5.483 717 HA GLU 93 HA GLU 93 -5.380 -3.089 -7.306 718 HB2 GLU 93 HB2 GLU 93 -7.969 -3.723 -5.880 719 HB3 GLU 93 HB1 GLU 93 -7.813 -2.776 -7.353 720 HG2 GLU 93 HG2 GLU 93 -7.057 -4.684 -8.578 721 HG3 GLU 93 HG1 GLU 93 -6.972 -5.653 -7.107 722 H PHE 94 HN PHE 94 -5.869 -2.982 -3.884 723 HA PHE 94 HA PHE 94 -6.550 -0.179 -3.809 724 HB2 PHE 94 HB2 PHE 94 -7.345 -1.912 -2.138 725 HB3 PHE 94 HB1 PHE 94 -5.709 -1.916 -1.489 726 HD1 PHE 94 HD1 PHE 94 -8.518 0.399 -2.264 727 HD2 PHE 94 HD2 PHE 94 -5.147 -0.439 0.193 728 HE1 PHE 94 HE1 PHE 94 -9.088 2.319 -0.836 729 HE2 PHE 94 HE2 PHE 94 -5.711 1.480 1.628 730 HZ PHE 94 HZ PHE 94 -7.683 2.861 1.114 731 H VAL 95 HN VAL 95 -3.754 -2.140 -2.787 732 HA VAL 95 HA VAL 95 -2.125 -0.083 -1.900 733 HB VAL 95 HB VAL 95 -0.198 -1.603 -2.565 734 HG11 VAL 95 HG11 VAL 95 -1.173 -1.592 -0.335 735 HG12 VAL 95 HG12 VAL 95 -0.699 -3.222 -0.813 736 HG13 VAL 95 HG13 VAL 95 -2.397 -2.747 -0.862 737 HG21 VAL 95 HG21 VAL 95 -1.273 -2.736 -4.420 738 HG22 VAL 95 HG22 VAL 95 -2.463 -3.427 -3.316 739 HG23 VAL 95 HG23 VAL 95 -0.766 -3.889 -3.184 740 H THR 96 HN THR 96 -2.661 -1.245 -5.202 741 HA THR 96 HA THR 96 -0.567 0.128 -6.443 742 HB THR 96 HB THR 96 -3.283 -0.528 -7.602 743 HG1 THR 96 HG1 THR 96 -0.854 -2.018 -7.489 744 HG21 THR 96 HG21 THR 96 -2.109 -0.506 -9.761 745 HG22 THR 96 HG22 THR 96 -0.633 0.013 -8.949 746 HG23 THR 96 HG23 THR 96 -2.044 1.070 -8.971 747 H LEU 97 HN LEU 97 -3.977 1.092 -6.002 748 HA LEU 97 HA LEU 97 -3.492 3.715 -7.071 749 HB2 LEU 97 HB2 LEU 97 -5.831 4.166 -6.301 750 HB3 LEU 97 HB1 LEU 97 -5.658 2.830 -7.422 751 HG LEU 97 HG LEU 97 -5.611 1.373 -5.244 752 HD11 LEU 97 HD11 LEU 97 -5.531 3.189 -3.651 753 HD12 LEU 97 HD12 LEU 97 -7.052 2.314 -3.481 754 HD13 LEU 97 HD13 LEU 97 -7.017 3.870 -4.310 755 HD21 LEU 97 HD21 LEU 97 -8.133 2.647 -6.297 756 HD22 LEU 97 HD22 LEU 97 -8.038 1.139 -5.386 757 HD23 LEU 97 HD23 LEU 97 -7.309 1.249 -6.988 758 H LEU 98 HN LEU 98 -2.743 2.315 -4.172 759 HA LEU 98 HA LEU 98 -3.080 4.793 -2.636 760 HB2 LEU 98 HB2 LEU 98 -3.536 2.180 -1.930 761 HB3 LEU 98 HB1 LEU 98 -1.942 2.466 -1.260 762 HG LEU 98 HG LEU 98 -3.631 2.884 0.420 763 HD11 LEU 98 HD11 LEU 98 -1.626 4.285 0.451 764 HD12 LEU 98 HD12 LEU 98 -3.036 5.150 1.067 765 HD13 LEU 98 HD13 LEU 98 -2.443 5.474 -0.563 766 HD21 LEU 98 HD21 LEU 98 -4.749 4.916 -1.508 767 HD22 LEU 98 HD22 LEU 98 -5.284 4.670 0.155 768 HD23 LEU 98 HD23 LEU 98 -5.507 3.393 -1.041 769 H GLY 99 HN GLY 99 -0.992 4.059 -4.761 770 HA2 GLY 99 HA2 GLY 99 1.248 5.202 -3.306 771 HA3 GLY 99 HA1 GLY 99 1.516 3.597 -3.970 772 HA PRO 100 HA PRO 100 2.538 6.801 -7.221 773 HB2 PRO 100 HB2 PRO 100 5.068 5.995 -7.722 774 HB3 PRO 100 HB1 PRO 100 4.675 7.135 -6.429 775 HG2 PRO 100 HG2 PRO 100 5.209 4.195 -6.264 776 HG3 PRO 100 HG1 PRO 100 5.775 5.496 -5.201 777 HD2 PRO 100 HD2 PRO 100 3.677 3.882 -4.581 778 HD3 PRO 100 HD1 PRO 100 3.803 5.561 -4.023 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 56.908 1.563 15.049 2 H2 MET 1 HT2 MET 1 55.882 2.907 15.044 3 H3 MET 1 HT3 MET 1 55.822 1.793 13.772 4 HA MET 1 HA MET 1 55.025 0.079 15.243 5 HB2 MET 1 HB2 MET 1 55.031 2.274 17.327 6 HB3 MET 1 HB1 MET 1 54.412 0.643 17.552 7 HG2 MET 1 HG2 MET 1 56.643 -0.267 17.243 8 HG3 MET 1 HG1 MET 1 57.277 1.352 16.957 9 HE1 MET 1 HE1 MET 1 54.568 0.196 19.549 10 HE2 MET 1 HE2 MET 1 55.545 -0.056 20.996 11 HE3 MET 1 HE3 MET 1 55.742 -1.120 19.603 12 HA PRO 2 HA PRO 2 51.609 2.681 13.408 13 HB2 PRO 2 HB2 PRO 2 50.967 0.038 12.238 14 HB3 PRO 2 HB1 PRO 2 51.078 1.617 11.455 15 HG2 PRO 2 HG2 PRO 2 52.966 -0.240 11.091 16 HG3 PRO 2 HG1 PRO 2 53.378 1.482 11.211 17 HD2 PRO 2 HD2 PRO 2 53.640 -0.681 13.265 18 HD3 PRO 2 HD1 PRO 2 54.746 0.659 12.889 19 H PHE 3 HN PHE 3 50.224 2.992 15.060 20 HA PHE 3 HA PHE 3 48.914 0.655 16.261 21 HB2 PHE 3 HB2 PHE 3 48.270 2.195 18.086 22 HB3 PHE 3 HB1 PHE 3 50.014 2.113 17.865 23 HD1 PHE 3 HD1 PHE 3 51.239 4.003 16.932 24 HD2 PHE 3 HD2 PHE 3 47.047 4.207 17.635 25 HE1 PHE 3 HE1 PHE 3 51.329 6.452 16.731 26 HE2 PHE 3 HE2 PHE 3 47.130 6.659 17.434 27 HZ PHE 3 HZ PHE 3 49.272 7.784 16.981 28 H HIS 4 HN HIS 4 48.398 3.228 14.114 29 HA HIS 4 HA HIS 4 45.488 3.146 14.466 30 HB2 HIS 4 HB2 HIS 4 46.552 5.369 14.364 31 HB3 HIS 4 HB1 HIS 4 47.184 4.988 12.767 32 HD1 HIS 4 HD1 HIS 4 45.779 5.735 10.872 33 HD2 HIS 4 HD2 HIS 4 43.574 5.319 14.369 34 HE1 HIS 4 HE1 HIS 4 43.465 6.543 10.307 35 HE2 HIS 4 HE2 HIS 4 42.130 6.214 12.419 36 HA PRO 5 HA PRO 5 45.778 0.173 11.016 37 HB2 PRO 5 HB2 PRO 5 43.144 -0.563 11.154 38 HB3 PRO 5 HB1 PRO 5 44.419 -1.280 12.144 39 HG2 PRO 5 HG2 PRO 5 42.452 0.863 12.847 40 HG3 PRO 5 HG1 PRO 5 43.005 -0.514 13.819 41 HD2 PRO 5 HD2 PRO 5 43.956 1.974 14.206 42 HD3 PRO 5 HD1 PRO 5 44.978 0.537 14.413 43 H VAL 6 HN VAL 6 45.303 0.412 8.893 44 HA VAL 6 HA VAL 6 44.636 1.404 6.959 45 HB VAL 6 HB VAL 6 42.115 2.085 8.476 46 HG11 VAL 6 HG11 VAL 6 41.066 2.019 6.253 47 HG12 VAL 6 HG12 VAL 6 42.651 1.758 5.526 48 HG13 VAL 6 HG13 VAL 6 42.305 3.269 6.367 49 HG21 VAL 6 HG21 VAL 6 41.226 -0.028 7.617 50 HG22 VAL 6 HG22 VAL 6 42.619 -0.294 8.666 51 HG23 VAL 6 HG23 VAL 6 42.800 -0.405 6.916 52 H THR 7 HN THR 7 46.184 3.053 6.985 53 HA THR 7 HA THR 7 45.797 5.527 8.342 54 HB THR 7 HB THR 7 47.604 4.963 5.981 55 HG1 THR 7 HG1 THR 7 48.679 5.070 8.526 56 HG21 THR 7 HG21 THR 7 48.911 6.851 6.836 57 HG22 THR 7 HG22 THR 7 47.720 7.102 8.112 58 HG23 THR 7 HG23 THR 7 47.270 7.349 6.424 59 H ALA 8 HN ALA 8 45.714 4.703 4.871 60 HA ALA 8 HA ALA 8 44.625 7.193 4.069 61 HB1 ALA 8 HB1 ALA 8 44.304 6.137 1.896 62 HB2 ALA 8 HB2 ALA 8 44.602 4.552 2.609 63 HB3 ALA 8 HB3 ALA 8 45.895 5.750 2.551 64 H ALA 9 HN ALA 9 42.686 7.879 4.660 65 HA ALA 9 HA ALA 9 40.583 6.289 5.593 66 HB1 ALA 9 HB1 ALA 9 40.453 9.068 4.429 67 HB2 ALA 9 HB2 ALA 9 40.794 8.666 6.112 68 HB3 ALA 9 HB3 ALA 9 39.212 8.302 5.421 69 H LEU 10 HN LEU 10 40.663 8.121 2.530 70 HA LEU 10 HA LEU 10 39.660 7.783 0.521 71 HB2 LEU 10 HB2 LEU 10 41.116 5.821 0.482 72 HB3 LEU 10 HB1 LEU 10 39.903 4.885 1.334 73 HG LEU 10 HG LEU 10 38.376 5.180 -0.616 74 HD11 LEU 10 HD11 LEU 10 40.829 6.342 -1.928 75 HD12 LEU 10 HD12 LEU 10 39.355 7.221 -1.524 76 HD13 LEU 10 HD13 LEU 10 39.313 5.940 -2.735 77 HD21 LEU 10 HD21 LEU 10 39.704 3.151 -0.343 78 HD22 LEU 10 HD22 LEU 10 41.044 3.902 -1.209 79 HD23 LEU 10 HD23 LEU 10 39.529 3.568 -2.048 80 H MET 11 HN MET 11 38.169 4.917 1.930 81 HA MET 11 HA MET 11 35.648 6.288 2.353 82 HB2 MET 11 HB2 MET 11 34.384 4.801 0.867 83 HB3 MET 11 HB1 MET 11 35.553 5.756 -0.032 84 HG2 MET 11 HG2 MET 11 37.074 3.821 -0.057 85 HG3 MET 11 HG1 MET 11 35.843 2.871 0.774 86 HE1 MET 11 HE1 MET 11 35.477 5.574 -2.050 87 HE2 MET 11 HE2 MET 11 35.372 4.566 -3.493 88 HE3 MET 11 HE3 MET 11 36.879 4.644 -2.580 89 H TYR 12 HN TYR 12 34.520 5.391 3.976 90 HA TYR 12 HA TYR 12 35.624 3.015 5.243 91 HB2 TYR 12 HB2 TYR 12 33.461 4.922 6.160 92 HB3 TYR 12 HB1 TYR 12 34.120 3.599 7.118 93 HD1 TYR 12 HD1 TYR 12 36.632 3.662 7.644 94 HD2 TYR 12 HD2 TYR 12 34.464 7.030 6.210 95 HE1 TYR 12 HE1 TYR 12 38.396 5.152 8.492 96 HE2 TYR 12 HE2 TYR 12 36.220 8.528 7.052 97 HH TYR 12 HH TYR 12 39.260 7.416 8.058 98 H ARG 13 HN ARG 13 32.716 4.071 3.599 99 HA ARG 13 HA ARG 13 30.828 2.982 2.933 100 HB2 ARG 13 HB2 ARG 13 32.687 0.596 2.897 101 HB3 ARG 13 HB1 ARG 13 31.158 0.728 2.041 102 HG2 ARG 13 HG2 ARG 13 32.078 2.573 0.709 103 HG3 ARG 13 HG1 ARG 13 33.619 2.393 1.549 104 HD2 ARG 13 HD2 ARG 13 32.261 0.344 -0.199 105 HD3 ARG 13 HD1 ARG 13 33.716 1.261 -0.585 106 HE ARG 13 HE ARG 13 34.420 -0.010 1.677 107 HH11 ARG 13 HH11 ARG 13 32.974 -1.125 -1.293 108 HH12 ARG 13 HH12 ARG 13 33.655 -2.713 -1.176 109 HH21 ARG 13 HH21 ARG 13 35.319 -2.094 1.836 110 HH22 ARG 13 HH22 ARG 13 34.986 -3.265 0.605 111 H GLY 14 HN GLY 14 29.923 3.338 5.092 112 HA2 GLY 14 HA2 GLY 14 28.914 0.881 6.183 113 HA3 GLY 14 HA1 GLY 14 30.034 1.687 7.271 114 H ILE 15 HN ILE 15 29.442 4.309 7.003 115 HA ILE 15 HA ILE 15 26.788 4.436 8.205 116 HB ILE 15 HB ILE 15 28.739 5.495 9.334 117 HG12 ILE 15 HG12 ILE 15 27.602 7.657 9.828 118 HG13 ILE 15 HG11 ILE 15 26.508 7.355 8.483 119 HG21 ILE 15 HG21 ILE 15 29.622 7.604 8.466 120 HG22 ILE 15 HG22 ILE 15 28.639 7.416 7.013 121 HG23 ILE 15 HG23 ILE 15 29.931 6.266 7.359 122 HD11 ILE 15 HD11 ILE 15 25.659 5.373 9.603 123 HD12 ILE 15 HD12 ILE 15 25.496 6.798 10.629 124 HD13 ILE 15 HD13 ILE 15 26.784 5.633 10.936 125 H TYR 16 HN TYR 16 25.203 5.971 7.556 126 HA TYR 16 HA TYR 16 25.410 6.722 4.718 127 HB2 TYR 16 HB2 TYR 16 22.852 6.801 4.885 128 HB3 TYR 16 HB1 TYR 16 23.616 5.215 4.916 129 HD1 TYR 16 HD2 TYR 16 23.752 3.950 7.032 130 HD2 TYR 16 HD1 TYR 16 21.649 7.639 6.783 131 HE1 TYR 16 HE2 TYR 16 22.610 3.436 9.146 132 HE2 TYR 16 HE1 TYR 16 20.501 7.135 8.897 133 HH TYR 16 HH TYR 16 19.912 5.170 10.250 134 H THR 17 HN THR 17 26.667 8.522 6.067 135 HA THR 17 HA THR 17 25.163 10.535 7.346 136 HB THR 17 HB THR 17 27.142 12.002 6.897 137 HG1 THR 17 HG1 THR 17 27.914 11.187 4.968 138 HG21 THR 17 HG21 THR 17 27.043 10.586 8.892 139 HG22 THR 17 HG22 THR 17 28.696 10.723 8.292 140 HG23 THR 17 HG23 THR 17 27.767 9.255 7.988 141 H VAL 18 HN VAL 18 23.728 11.879 6.510 142 HA VAL 18 HA VAL 18 23.681 12.324 3.623 143 HB VAL 18 HB VAL 18 21.449 13.384 4.085 144 HG11 VAL 18 HG11 VAL 18 20.318 11.222 4.541 145 HG12 VAL 18 HG12 VAL 18 21.888 10.525 4.938 146 HG13 VAL 18 HG13 VAL 18 21.570 11.111 3.306 147 HG21 VAL 18 HG21 VAL 18 20.412 12.915 6.271 148 HG22 VAL 18 HG22 VAL 18 21.793 14.004 6.405 149 HG23 VAL 18 HG23 VAL 18 21.960 12.308 6.858 150 HA PRO 19 HA PRO 19 25.249 16.427 3.809 151 HB2 PRO 19 HB2 PRO 19 23.259 17.310 1.836 152 HB3 PRO 19 HB1 PRO 19 25.015 17.203 1.688 153 HG2 PRO 19 HG2 PRO 19 23.379 15.511 0.390 154 HG3 PRO 19 HG1 PRO 19 24.960 15.000 1.010 155 HD2 PRO 19 HD2 PRO 19 22.233 14.549 2.169 156 HD3 PRO 19 HD1 PRO 19 23.606 13.427 2.050 157 H ASN 20 HN ASN 20 21.743 16.751 3.208 158 HA ASN 20 HA ASN 20 21.422 18.201 5.706 159 HB2 ASN 20 HB2 ASN 20 20.781 19.474 3.035 160 HB3 ASN 20 HB1 ASN 20 20.357 20.143 4.607 161 HD21 ASN 20 HD21 ASN 20 22.917 19.501 2.357 162 HD22 ASN 20 HD22 ASN 20 24.111 20.491 3.119 163 H LEU 21 HN LEU 21 19.941 17.095 2.696 164 HA LEU 21 HA LEU 21 17.970 16.075 2.234 165 HB2 LEU 21 HB2 LEU 21 18.841 14.975 4.603 166 HB3 LEU 21 HB1 LEU 21 17.201 15.461 4.982 167 HG LEU 21 HG LEU 21 17.379 14.061 2.434 168 HD11 LEU 21 HD11 LEU 21 18.207 12.607 4.942 169 HD12 LEU 21 HD12 LEU 21 19.221 12.913 3.531 170 HD13 LEU 21 HD13 LEU 21 17.818 11.851 3.397 171 HD21 LEU 21 HD21 LEU 21 15.291 14.538 3.617 172 HD22 LEU 21 HD22 LEU 21 15.832 13.551 4.974 173 HD23 LEU 21 HD23 LEU 21 15.527 12.803 3.406 174 H LEU 22 HN LEU 22 18.146 18.948 3.406 175 HA LEU 22 HA LEU 22 15.522 19.357 4.513 176 HB2 LEU 22 HB2 LEU 22 16.123 21.791 4.275 177 HB3 LEU 22 HB1 LEU 22 17.183 20.839 5.294 178 HG LEU 22 HG LEU 22 18.691 20.646 3.213 179 HD11 LEU 22 HD11 LEU 22 16.929 22.953 2.408 180 HD12 LEU 22 HD12 LEU 22 17.177 21.442 1.533 181 HD13 LEU 22 HD13 LEU 22 18.499 22.597 1.690 182 HD21 LEU 22 HD21 LEU 22 19.267 21.932 5.198 183 HD22 LEU 22 HD22 LEU 22 18.322 23.296 4.602 184 HD23 LEU 22 HD23 LEU 22 19.767 22.781 3.734 185 H SER 23 HN SER 23 16.755 18.984 1.403 186 HA SER 23 HA SER 23 14.509 20.450 0.199 187 HB2 SER 23 HB2 SER 23 16.694 21.115 -0.663 188 HB3 SER 23 HB1 SER 23 17.070 19.438 -1.060 189 HG SER 23 HG SER 23 14.803 20.743 -2.127 190 H GLU 24 HN GLU 24 15.725 17.326 0.859 191 HA GLU 24 HA GLU 24 13.728 16.142 -0.957 192 HB2 GLU 24 HB2 GLU 24 16.321 14.940 0.032 193 HB3 GLU 24 HB1 GLU 24 15.127 14.096 -0.944 194 HG2 GLU 24 HG2 GLU 24 15.455 15.876 -2.689 195 HG3 GLU 24 HG1 GLU 24 16.822 16.447 -1.734 196 H GLN 25 HN GLN 25 13.177 17.118 1.682 197 HA GLN 25 HA GLN 25 13.025 14.816 3.424 198 HB2 GLN 25 HB2 GLN 25 11.894 16.341 4.984 199 HB3 GLN 25 HB1 GLN 25 13.403 17.023 4.393 200 HG2 GLN 25 HG2 GLN 25 12.169 18.417 2.821 201 HG3 GLN 25 HG1 GLN 25 10.651 17.722 3.389 202 HE21 GLN 25 HE21 GLN 25 11.539 17.642 6.166 203 HE22 GLN 25 HE22 GLN 25 11.483 19.272 6.735 204 H ARG 26 HN ARG 26 11.517 15.231 0.736 205 HA ARG 26 HA ARG 26 8.763 15.283 1.268 206 HB2 ARG 26 HB2 ARG 26 10.203 13.889 -0.998 207 HB3 ARG 26 HB1 ARG 26 8.500 14.328 -0.971 208 HG2 ARG 26 HG2 ARG 26 10.758 16.313 -0.814 209 HG3 ARG 26 HG1 ARG 26 9.934 15.856 -2.305 210 HD2 ARG 26 HD2 ARG 26 8.902 17.852 -1.596 211 HD3 ARG 26 HD1 ARG 26 7.782 16.559 -1.169 212 HE ARG 26 HE ARG 26 9.562 17.255 0.967 213 HH11 ARG 26 HH11 ARG 26 6.581 18.086 -0.631 214 HH12 ARG 26 HH12 ARG 26 5.895 18.848 0.764 215 HH21 ARG 26 HH21 ARG 26 8.669 18.255 2.811 216 HH22 ARG 26 HH22 ARG 26 7.083 18.946 2.722 217 HA PRO 27 HA PRO 27 7.964 11.234 2.858 218 HB2 PRO 27 HB2 PRO 27 5.420 10.825 2.115 219 HB3 PRO 27 HB1 PRO 27 5.852 12.080 3.281 220 HG2 PRO 27 HG2 PRO 27 5.260 12.335 0.355 221 HG3 PRO 27 HG1 PRO 27 4.716 13.357 1.699 222 HD2 PRO 27 HD2 PRO 27 6.813 13.995 0.064 223 HD3 PRO 27 HD1 PRO 27 6.671 14.552 1.742 224 H VAL 28 HN VAL 28 9.463 11.047 0.485 225 HA VAL 28 HA VAL 28 8.107 9.004 -1.116 226 HB VAL 28 HB VAL 28 10.825 10.203 -1.635 227 HG11 VAL 28 HG11 VAL 28 10.367 8.096 -2.775 228 HG12 VAL 28 HG12 VAL 28 10.431 9.434 -3.922 229 HG13 VAL 28 HG13 VAL 28 8.874 8.768 -3.431 230 HG21 VAL 28 HG21 VAL 28 9.693 11.683 -3.254 231 HG22 VAL 28 HG22 VAL 28 9.222 12.013 -1.587 232 HG23 VAL 28 HG23 VAL 28 8.136 11.117 -2.649 233 H ASP 29 HN ASP 29 9.015 6.949 -1.460 234 HA ASP 29 HA ASP 29 9.985 4.997 -0.807 235 HB2 ASP 29 HB2 ASP 29 12.263 6.823 -0.004 236 HB3 ASP 29 HB1 ASP 29 12.373 5.079 -0.220 237 H ILE 30 HN ILE 30 8.244 5.099 0.889 238 HA ILE 30 HA ILE 30 9.330 5.474 3.589 239 HB ILE 30 HB ILE 30 6.447 5.068 2.785 240 HG12 ILE 30 HG12 ILE 30 7.313 7.155 1.839 241 HG13 ILE 30 HG11 ILE 30 6.182 7.486 3.149 242 HG21 ILE 30 HG21 ILE 30 5.951 5.896 5.034 243 HG22 ILE 30 HG22 ILE 30 7.677 5.997 5.377 244 HG23 ILE 30 HG23 ILE 30 6.927 4.428 5.085 245 HD11 ILE 30 HD11 ILE 30 8.082 7.883 4.655 246 HD12 ILE 30 HD12 ILE 30 8.069 8.979 3.273 247 HD13 ILE 30 HD13 ILE 30 9.185 7.613 3.306 248 HA PRO 31 HA PRO 31 9.819 1.083 4.163 249 HB2 PRO 31 HB2 PRO 31 9.246 1.124 6.904 250 HB3 PRO 31 HB1 PRO 31 10.843 1.321 6.175 251 HG2 PRO 31 HG2 PRO 31 8.935 3.393 7.153 252 HG3 PRO 31 HG1 PRO 31 10.706 3.362 7.242 253 HD2 PRO 31 HD2 PRO 31 9.446 4.899 5.461 254 HD3 PRO 31 HD1 PRO 31 10.950 4.055 5.034 255 H GLU 32 HN GLU 32 8.526 -0.743 4.509 256 HA GLU 32 HA GLU 32 5.841 -0.554 3.873 257 HB2 GLU 32 HB2 GLU 32 5.717 -2.859 4.127 258 HB3 GLU 32 HB1 GLU 32 7.422 -2.590 3.805 259 HG2 GLU 32 HG2 GLU 32 6.164 -3.079 6.495 260 HG3 GLU 32 HG1 GLU 32 7.139 -4.214 5.564 261 H ASP 33 HN ASP 33 7.173 0.392 6.752 262 HA ASP 33 HA ASP 33 5.459 -0.486 8.737 263 HB2 ASP 33 HB2 ASP 33 7.439 0.911 9.178 264 HB3 ASP 33 HB1 ASP 33 6.639 2.287 8.424 265 H GLU 34 HN GLU 34 4.967 1.907 6.234 266 HA GLU 34 HA GLU 34 2.367 2.674 7.292 267 HB2 GLU 34 HB2 GLU 34 2.304 4.287 5.471 268 HB3 GLU 34 HB1 GLU 34 3.842 4.400 6.312 269 HG2 GLU 34 HG2 GLU 34 4.480 4.524 4.112 270 HG3 GLU 34 HG1 GLU 34 4.694 2.809 4.457 271 H LEU 35 HN LEU 35 3.754 0.473 5.087 272 HA LEU 35 HA LEU 35 1.641 0.128 3.255 273 HB2 LEU 35 HB2 LEU 35 3.912 -0.717 2.880 274 HB3 LEU 35 HB1 LEU 35 3.725 -1.843 4.206 275 HG LEU 35 HG LEU 35 3.505 -2.723 1.806 276 HD11 LEU 35 HD11 LEU 35 1.270 -3.370 3.709 277 HD12 LEU 35 HD12 LEU 35 2.921 -3.964 3.874 278 HD13 LEU 35 HD13 LEU 35 1.958 -4.415 2.467 279 HD21 LEU 35 HD21 LEU 35 0.746 -1.562 2.113 280 HD22 LEU 35 HD22 LEU 35 1.319 -2.584 0.795 281 HD23 LEU 35 HD23 LEU 35 1.986 -0.965 1.011 282 H GLU 36 HN GLU 36 2.447 -1.585 6.264 283 HA GLU 36 HA GLU 36 0.161 -3.275 6.174 284 HB2 GLU 36 HB2 GLU 36 1.950 -2.504 8.486 285 HB3 GLU 36 HB1 GLU 36 0.728 -3.767 8.547 286 HG2 GLU 36 HG2 GLU 36 1.915 -4.993 6.793 287 HG3 GLU 36 HG1 GLU 36 3.148 -3.732 6.758 288 H GLU 37 HN GLU 37 0.562 -0.010 6.854 289 HA GLU 37 HA GLU 37 -1.614 0.194 8.755 290 HB2 GLU 37 HB2 GLU 37 0.368 1.686 8.877 291 HB3 GLU 37 HB1 GLU 37 -0.095 2.388 7.334 292 HG2 GLU 37 HG2 GLU 37 -2.190 3.172 8.319 293 HG3 GLU 37 HG1 GLU 37 -1.719 2.473 9.868 294 H ILE 38 HN ILE 38 -1.171 0.325 5.327 295 HA ILE 38 HA ILE 38 -3.323 1.965 4.587 296 HB ILE 38 HB ILE 38 -2.537 -0.486 3.029 297 HG12 ILE 38 HG12 ILE 38 -1.065 2.154 3.197 298 HG13 ILE 38 HG11 ILE 38 -0.462 0.581 3.713 299 HG21 ILE 38 HG21 ILE 38 -3.087 0.907 1.110 300 HG22 ILE 38 HG22 ILE 38 -3.422 2.269 2.178 301 HG23 ILE 38 HG23 ILE 38 -4.445 0.833 2.233 302 HD11 ILE 38 HD11 ILE 38 0.527 1.199 1.608 303 HD12 ILE 38 HD12 ILE 38 -1.066 1.428 0.889 304 HD13 ILE 38 HD13 ILE 38 -0.543 -0.184 1.377 305 H ARG 39 HN ARG 39 -3.205 -1.587 4.777 306 HA ARG 39 HA ARG 39 -5.958 -1.982 4.412 307 HB2 ARG 39 HB2 ARG 39 -5.423 -4.223 5.623 308 HB3 ARG 39 HB1 ARG 39 -4.725 -3.899 4.043 309 HG2 ARG 39 HG2 ARG 39 -2.692 -3.051 5.280 310 HG3 ARG 39 HG1 ARG 39 -3.402 -3.777 6.721 311 HD2 ARG 39 HD2 ARG 39 -2.807 -5.241 4.160 312 HD3 ARG 39 HD1 ARG 39 -1.774 -5.247 5.587 313 HE ARG 39 HE ARG 39 -4.206 -6.062 6.512 314 HH11 ARG 39 HH11 ARG 39 -2.053 -7.149 3.996 315 HH12 ARG 39 HH12 ARG 39 -2.543 -8.806 4.119 316 HH21 ARG 39 HH21 ARG 39 -4.857 -8.238 6.677 317 HH22 ARG 39 HH22 ARG 39 -4.138 -9.423 5.640 318 H GLU 40 HN GLU 40 -4.019 -1.696 7.388 319 HA GLU 40 HA GLU 40 -5.767 -2.337 9.334 320 HB2 GLU 40 HB2 GLU 40 -3.889 0.000 9.161 321 HB3 GLU 40 HB1 GLU 40 -4.869 -0.262 10.597 322 HG2 GLU 40 HG2 GLU 40 -2.928 -2.245 9.438 323 HG3 GLU 40 HG1 GLU 40 -2.605 -1.182 10.806 324 H ALA 41 HN ALA 41 -5.954 0.541 7.315 325 HA ALA 41 HA ALA 41 -8.097 1.748 8.759 326 HB1 ALA 41 HB1 ALA 41 -6.534 3.040 7.377 327 HB2 ALA 41 HB2 ALA 41 -8.213 3.312 6.914 328 HB3 ALA 41 HB3 ALA 41 -7.187 2.266 5.932 329 H PHE 42 HN PHE 42 -8.180 0.663 5.357 330 HA PHE 42 HA PHE 42 -11.019 0.452 5.401 331 HB2 PHE 42 HB2 PHE 42 -8.886 -0.176 3.400 332 HB3 PHE 42 HB1 PHE 42 -10.538 -0.712 3.116 333 HD1 PHE 42 HD2 PHE 42 -8.744 2.384 4.187 334 HD2 PHE 42 HD1 PHE 42 -11.883 0.668 1.881 335 HE1 PHE 42 HE2 PHE 42 -9.323 4.612 3.324 336 HE2 PHE 42 HE1 PHE 42 -12.469 2.895 1.014 337 HZ PHE 42 HZ PHE 42 -11.190 4.871 1.737 338 H LYS 43 HN LYS 43 -8.434 -1.961 5.386 339 HA LYS 43 HA LYS 43 -9.864 -4.277 5.105 340 HB2 LYS 43 HB2 LYS 43 -7.269 -3.663 5.677 341 HB3 LYS 43 HB1 LYS 43 -7.779 -4.434 7.168 342 HG2 LYS 43 HG2 LYS 43 -6.749 -6.015 5.629 343 HG3 LYS 43 HG1 LYS 43 -8.433 -6.419 5.947 344 HD2 LYS 43 HD2 LYS 43 -7.755 -6.650 3.561 345 HD3 LYS 43 HD1 LYS 43 -9.115 -5.559 3.821 346 HE2 LYS 43 HE2 LYS 43 -7.544 -3.649 3.700 347 HE3 LYS 43 HE1 LYS 43 -6.241 -4.781 3.342 348 HZ1 LYS 43 HZ1 LYS 43 -7.387 -5.435 1.335 349 HZ2 LYS 43 HZ2 LYS 43 -7.151 -3.761 1.337 350 HZ3 LYS 43 HZ3 LYS 43 -8.677 -4.399 1.686 351 H VAL 44 HN VAL 44 -9.272 -2.557 8.226 352 HA VAL 44 HA VAL 44 -10.592 -4.490 9.791 353 HB VAL 44 HB VAL 44 -10.826 -2.801 11.534 354 HG11 VAL 44 HG11 VAL 44 -8.711 -3.918 11.351 355 HG12 VAL 44 HG12 VAL 44 -8.427 -2.228 11.765 356 HG13 VAL 44 HG13 VAL 44 -8.171 -2.786 10.112 357 HG21 VAL 44 HG21 VAL 44 -10.058 -0.506 11.175 358 HG22 VAL 44 HG22 VAL 44 -11.445 -0.893 10.155 359 HG23 VAL 44 HG23 VAL 44 -9.824 -0.854 9.463 360 H PHE 45 HN PHE 45 -11.858 -1.726 7.982 361 HA PHE 45 HA PHE 45 -14.413 -1.633 9.102 362 HB2 PHE 45 HB2 PHE 45 -13.397 -0.983 6.346 363 HB3 PHE 45 HB1 PHE 45 -15.109 -0.855 6.731 364 HD1 PHE 45 HD2 PHE 45 -15.521 0.436 9.071 365 HD2 PHE 45 HD1 PHE 45 -12.185 0.949 6.484 366 HE1 PHE 45 HE2 PHE 45 -15.144 2.680 10.009 367 HE2 PHE 45 HE1 PHE 45 -11.799 3.192 7.416 368 HZ PHE 45 HZ PHE 45 -13.280 4.061 9.180 369 H ASP 46 HN ASP 46 -12.966 -4.071 7.194 370 HA ASP 46 HA ASP 46 -15.326 -5.213 6.085 371 HB2 ASP 46 HB2 ASP 46 -13.176 -5.743 5.110 372 HB3 ASP 46 HB1 ASP 46 -12.595 -6.393 6.640 373 H ARG 47 HN ARG 47 -16.933 -5.933 7.308 374 HA ARG 47 HA ARG 47 -16.571 -6.746 10.019 375 HB2 ARG 47 HB2 ARG 47 -19.036 -7.130 8.327 376 HB3 ARG 47 HB1 ARG 47 -18.943 -7.029 10.080 377 HG2 ARG 47 HG2 ARG 47 -18.040 -4.667 9.723 378 HG3 ARG 47 HG1 ARG 47 -18.608 -4.838 8.061 379 HD2 ARG 47 HD2 ARG 47 -20.284 -3.726 9.427 380 HD3 ARG 47 HD1 ARG 47 -20.868 -5.297 8.881 381 HE ARG 47 HE ARG 47 -19.641 -5.362 11.479 382 HH11 ARG 47 HH11 ARG 47 -22.595 -4.781 9.723 383 HH12 ARG 47 HH12 ARG 47 -23.619 -5.137 11.073 384 HH21 ARG 47 HH21 ARG 47 -20.983 -5.832 13.262 385 HH22 ARG 47 HH22 ARG 47 -22.702 -5.732 13.086 386 H ASP 48 HN ASP 48 -16.986 -8.455 6.963 387 HA ASP 48 HA ASP 48 -17.369 -11.008 8.192 388 HB2 ASP 48 HB2 ASP 48 -16.505 -10.413 5.355 389 HB3 ASP 48 HB1 ASP 48 -17.204 -11.915 5.952 390 H GLY 49 HN GLY 49 -14.658 -9.061 7.684 391 HA2 GLY 49 HA2 GLY 49 -12.405 -9.403 7.935 392 HA3 GLY 49 HA1 GLY 49 -12.859 -10.781 8.925 393 H ASN 50 HN ASN 50 -13.950 -10.825 5.664 394 HA ASN 50 HA ASN 50 -12.393 -13.164 5.113 395 HB2 ASN 50 HB2 ASN 50 -13.507 -13.074 2.881 396 HB3 ASN 50 HB1 ASN 50 -14.634 -13.052 4.231 397 HD21 ASN 50 HD21 ASN 50 -15.097 -12.179 1.542 398 HD22 ASN 50 HD22 ASN 50 -15.497 -10.500 1.616 399 H GLY 51 HN GLY 51 -11.563 -10.000 5.097 400 HA2 GLY 51 HA2 GLY 51 -9.498 -9.138 4.408 401 HA3 GLY 51 HA1 GLY 51 -9.313 -10.505 3.320 402 H PHE 52 HN PHE 52 -12.314 -9.621 2.664 403 HA PHE 52 HA PHE 52 -11.494 -7.653 0.629 404 HB2 PHE 52 HB2 PHE 52 -13.850 -9.512 0.361 405 HB3 PHE 52 HB1 PHE 52 -13.037 -8.594 -0.900 406 HD1 PHE 52 HD2 PHE 52 -10.740 -9.276 -1.618 407 HD2 PHE 52 HD1 PHE 52 -13.145 -11.670 0.947 408 HE1 PHE 52 HE2 PHE 52 -9.335 -11.231 -2.131 409 HE2 PHE 52 HE1 PHE 52 -11.749 -13.628 0.442 410 HZ PHE 52 HZ PHE 52 -9.840 -13.412 -1.102 411 H ILE 53 HN ILE 53 -12.991 -5.996 0.088 412 HA ILE 53 HA ILE 53 -14.995 -5.495 2.189 413 HB ILE 53 HB ILE 53 -13.392 -3.459 0.638 414 HG12 ILE 53 HG12 ILE 53 -13.301 -4.035 3.600 415 HG13 ILE 53 HG11 ILE 53 -12.209 -4.803 2.450 416 HG21 ILE 53 HG21 ILE 53 -15.629 -2.646 1.135 417 HG22 ILE 53 HG22 ILE 53 -14.435 -1.811 2.129 418 HG23 ILE 53 HG23 ILE 53 -15.429 -3.087 2.831 419 HD11 ILE 53 HD11 ILE 53 -12.456 -1.848 2.953 420 HD12 ILE 53 HD12 ILE 53 -11.364 -2.613 1.798 421 HD13 ILE 53 HD13 ILE 53 -11.163 -2.902 3.526 422 H SER 54 HN SER 54 -17.030 -5.022 1.598 423 HA SER 54 HA SER 54 -17.648 -5.113 -1.264 424 HB2 SER 54 HB2 SER 54 -19.363 -5.555 1.185 425 HB3 SER 54 HB1 SER 54 -19.998 -5.528 -0.458 426 HG SER 54 HG SER 54 -17.824 -7.184 -0.056 427 H LYS 55 HN LYS 55 -19.920 -3.862 -1.620 428 HA LYS 55 HA LYS 55 -19.268 -1.122 -1.524 429 HB2 LYS 55 HB2 LYS 55 -21.781 -2.630 -2.206 430 HB3 LYS 55 HB1 LYS 55 -21.738 -0.874 -2.214 431 HG2 LYS 55 HG2 LYS 55 -20.150 -0.824 -3.960 432 HG3 LYS 55 HG1 LYS 55 -19.820 -2.547 -3.812 433 HD2 LYS 55 HD2 LYS 55 -22.500 -1.412 -4.603 434 HD3 LYS 55 HD1 LYS 55 -21.265 -1.909 -5.761 435 HE2 LYS 55 HE2 LYS 55 -21.325 -4.178 -4.855 436 HE3 LYS 55 HE1 LYS 55 -22.546 -3.683 -3.684 437 HZ1 LYS 55 HZ1 LYS 55 -23.517 -4.801 -5.605 438 HZ2 LYS 55 HZ2 LYS 55 -22.881 -3.619 -6.634 439 HZ3 LYS 55 HZ3 LYS 55 -24.056 -3.201 -5.491 440 H GLN 56 HN GLN 56 -21.611 -3.055 0.320 441 HA GLN 56 HA GLN 56 -22.663 -0.931 1.841 442 HB2 GLN 56 HB2 GLN 56 -22.471 -3.858 2.576 443 HB3 GLN 56 HB1 GLN 56 -23.529 -2.674 3.333 444 HG2 GLN 56 HG2 GLN 56 -23.650 -3.512 0.444 445 HG3 GLN 56 HG1 GLN 56 -24.699 -4.112 1.727 446 HE21 GLN 56 HE21 GLN 56 -23.885 -1.394 -0.281 447 HE22 GLN 56 HE22 GLN 56 -25.306 -0.468 0.044 448 H GLU 57 HN GLU 57 -19.776 -2.839 2.172 449 HA GLU 57 HA GLU 57 -19.288 -2.084 4.907 450 HB2 GLU 57 HB2 GLU 57 -17.480 -3.390 2.864 451 HB3 GLU 57 HB1 GLU 57 -17.111 -3.209 4.573 452 HG2 GLU 57 HG2 GLU 57 -19.080 -4.584 5.118 453 HG3 GLU 57 HG1 GLU 57 -19.365 -4.815 3.394 454 H LEU 58 HN LEU 58 -17.694 -1.341 1.802 455 HA LEU 58 HA LEU 58 -15.963 0.614 2.859 456 HB2 LEU 58 HB2 LEU 58 -15.633 -0.521 0.682 457 HB3 LEU 58 HB1 LEU 58 -17.000 0.365 0.034 458 HG LEU 58 HG LEU 58 -14.886 2.046 1.208 459 HD11 LEU 58 HD11 LEU 58 -14.390 0.493 -1.326 460 HD12 LEU 58 HD12 LEU 58 -13.509 0.315 0.191 461 HD13 LEU 58 HD13 LEU 58 -13.404 1.822 -0.719 462 HD21 LEU 58 HD21 LEU 58 -16.839 2.952 0.040 463 HD22 LEU 58 HD22 LEU 58 -16.357 2.094 -1.424 464 HD23 LEU 58 HD23 LEU 58 -15.336 3.379 -0.777 465 H GLY 59 HN GLY 59 -19.298 0.657 2.090 466 HA2 GLY 59 HA2 GLY 59 -19.614 3.433 1.566 467 HA3 GLY 59 HA1 GLY 59 -20.882 2.326 2.078 468 H THR 60 HN THR 60 -19.075 1.632 4.435 469 HA THR 60 HA THR 60 -20.096 3.726 6.184 470 HB THR 60 HB THR 60 -18.656 1.171 6.934 471 HG1 THR 60 HG1 THR 60 -20.519 0.192 6.701 472 HG21 THR 60 HG21 THR 60 -18.622 2.874 8.687 473 HG22 THR 60 HG22 THR 60 -19.678 1.535 9.135 474 HG23 THR 60 HG23 THR 60 -20.372 3.052 8.560 475 H ALA 61 HN ALA 61 -17.143 2.607 4.794 476 HA ALA 61 HA ALA 61 -15.357 3.843 6.644 477 HB1 ALA 61 HB1 ALA 61 -13.629 3.351 5.018 478 HB2 ALA 61 HB2 ALA 61 -14.848 3.010 3.790 479 HB3 ALA 61 HB3 ALA 61 -14.699 1.960 5.200 480 H MET 62 HN MET 62 -16.718 4.783 3.513 481 HA MET 62 HA MET 62 -15.251 7.183 3.243 482 HB2 MET 62 HB2 MET 62 -17.871 6.298 2.036 483 HB3 MET 62 HB1 MET 62 -17.040 7.779 1.581 484 HG2 MET 62 HG2 MET 62 -15.929 4.995 1.315 485 HG3 MET 62 HG1 MET 62 -16.612 5.962 0.008 486 HE1 MET 62 HE1 MET 62 -14.413 5.652 -1.457 487 HE2 MET 62 HE2 MET 62 -13.765 4.629 -0.177 488 HE3 MET 62 HE3 MET 62 -12.789 5.942 -0.835 489 H ARG 63 HN ARG 63 -18.517 6.530 4.498 490 HA ARG 63 HA ARG 63 -19.259 9.185 4.960 491 HB2 ARG 63 HB2 ARG 63 -20.963 8.316 6.432 492 HB3 ARG 63 HB1 ARG 63 -20.814 7.259 5.036 493 HG2 ARG 63 HG2 ARG 63 -19.597 5.640 6.321 494 HG3 ARG 63 HG1 ARG 63 -19.545 6.724 7.712 495 HD2 ARG 63 HD2 ARG 63 -22.008 5.488 6.485 496 HD3 ARG 63 HD1 ARG 63 -21.268 5.047 8.023 497 HE ARG 63 HE ARG 63 -21.850 7.752 8.160 498 HH11 ARG 63 HH11 ARG 63 -23.590 4.757 7.797 499 HH12 ARG 63 HH12 ARG 63 -25.022 5.344 8.575 500 HH21 ARG 63 HH21 ARG 63 -23.727 8.535 9.184 501 HH22 ARG 63 HH22 ARG 63 -25.098 7.495 9.364 502 H SER 64 HN SER 64 -17.208 7.039 6.771 503 HA SER 64 HA SER 64 -17.217 8.311 9.256 504 HB2 SER 64 HB2 SER 64 -16.166 6.131 8.915 505 HB3 SER 64 HB1 SER 64 -14.943 6.863 7.879 506 HG SER 64 HG SER 64 -15.088 6.759 10.601 507 H LEU 65 HN LEU 65 -15.400 9.011 6.318 508 HA LEU 65 HA LEU 65 -13.720 10.997 7.463 509 HB2 LEU 65 HB2 LEU 65 -14.524 10.875 4.568 510 HB3 LEU 65 HB1 LEU 65 -13.031 11.487 5.252 511 HG LEU 65 HG LEU 65 -13.873 8.593 5.102 512 HD11 LEU 65 HD11 LEU 65 -13.169 9.533 2.966 513 HD12 LEU 65 HD12 LEU 65 -11.987 8.373 3.573 514 HD13 LEU 65 HD13 LEU 65 -11.673 10.104 3.703 515 HD21 LEU 65 HD21 LEU 65 -11.630 8.107 5.991 516 HD22 LEU 65 HD22 LEU 65 -12.630 8.985 7.147 517 HD23 LEU 65 HD23 LEU 65 -11.372 9.834 6.248 518 H GLY 66 HN GLY 66 -16.998 10.968 6.509 519 HA2 GLY 66 HA2 GLY 66 -18.322 12.868 7.350 520 HA3 GLY 66 HA1 GLY 66 -17.080 13.918 6.686 521 H TYR 67 HN TYR 67 -17.694 11.270 4.686 522 HA TYR 67 HA TYR 67 -19.608 12.826 3.073 523 HB2 TYR 67 HB2 TYR 67 -17.381 11.129 1.933 524 HB3 TYR 67 HB1 TYR 67 -18.460 12.208 1.056 525 HD1 TYR 67 HD2 TYR 67 -18.172 14.651 1.213 526 HD2 TYR 67 HD1 TYR 67 -15.456 11.969 3.097 527 HE1 TYR 67 HE2 TYR 67 -16.544 16.478 1.455 528 HE2 TYR 67 HE1 TYR 67 -13.822 13.790 3.343 529 HH TYR 67 HH TYR 67 -14.617 17.055 2.866 530 H MET 68 HN MET 68 -21.369 11.611 3.780 531 HA MET 68 HA MET 68 -21.369 8.752 3.722 532 HB2 MET 68 HB2 MET 68 -22.793 9.921 5.292 533 HB3 MET 68 HB1 MET 68 -23.624 10.745 3.978 534 HG2 MET 68 HG2 MET 68 -24.963 8.929 4.883 535 HG3 MET 68 HG1 MET 68 -24.533 8.633 3.199 536 HE1 MET 68 HE1 MET 68 -25.184 6.044 3.423 537 HE2 MET 68 HE2 MET 68 -25.687 6.392 5.077 538 HE3 MET 68 HE3 MET 68 -24.617 5.029 4.750 539 HA PRO 69 HA PRO 69 -22.399 8.712 -0.679 540 HB2 PRO 69 HB2 PRO 69 -21.516 6.258 -1.216 541 HB3 PRO 69 HB1 PRO 69 -20.383 7.574 -0.887 542 HG2 PRO 69 HG2 PRO 69 -21.273 5.350 0.894 543 HG3 PRO 69 HG1 PRO 69 -19.667 6.081 0.726 544 HD2 PRO 69 HD2 PRO 69 -21.521 6.678 2.722 545 HD3 PRO 69 HD1 PRO 69 -20.128 7.679 2.275 546 H ASN 70 HN ASN 70 -24.225 8.097 -1.683 547 HA ASN 70 HA ASN 70 -26.243 6.686 -0.232 548 HB2 ASN 70 HB2 ASN 70 -26.232 7.485 -3.149 549 HB3 ASN 70 HB1 ASN 70 -27.642 7.077 -2.176 550 HD21 ASN 70 HD21 ASN 70 -26.541 9.535 -3.643 551 HD22 ASN 70 HD22 ASN 70 -26.792 10.813 -2.510 552 H GLU 71 HN GLU 71 -27.508 4.891 -1.388 553 HA GLU 71 HA GLU 71 -25.828 2.650 -1.695 554 HB2 GLU 71 HB2 GLU 71 -27.888 1.468 -2.423 555 HB3 GLU 71 HB1 GLU 71 -28.109 2.378 -0.934 556 HG2 GLU 71 HG2 GLU 71 -29.176 4.180 -2.212 557 HG3 GLU 71 HG1 GLU 71 -28.988 3.229 -3.684 558 H VAL 72 HN VAL 72 -26.663 5.126 -3.822 559 HA VAL 72 HA VAL 72 -26.271 3.566 -6.249 560 HB VAL 72 HB VAL 72 -26.522 6.560 -6.119 561 HG11 VAL 72 HG11 VAL 72 -27.456 6.318 -8.338 562 HG12 VAL 72 HG12 VAL 72 -27.365 4.561 -8.210 563 HG13 VAL 72 HG13 VAL 72 -25.885 5.520 -8.251 564 HG21 VAL 72 HG21 VAL 72 -28.753 4.537 -6.000 565 HG22 VAL 72 HG22 VAL 72 -28.978 6.239 -6.409 566 HG23 VAL 72 HG23 VAL 72 -28.372 5.789 -4.815 567 H GLU 73 HN GLU 73 -24.551 5.715 -4.138 568 HA GLU 73 HA GLU 73 -22.454 6.369 -5.973 569 HB2 GLU 73 HB2 GLU 73 -22.589 6.625 -2.967 570 HB3 GLU 73 HB1 GLU 73 -21.335 7.318 -3.984 571 HG2 GLU 73 HG2 GLU 73 -24.263 7.996 -4.141 572 HG3 GLU 73 HG1 GLU 73 -23.036 8.955 -3.315 573 H LEU 74 HN LEU 74 -22.568 4.285 -3.067 574 HA LEU 74 HA LEU 74 -19.976 3.337 -3.181 575 HB2 LEU 74 HB2 LEU 74 -21.011 1.220 -2.101 576 HB3 LEU 74 HB1 LEU 74 -21.056 2.747 -1.245 577 HG LEU 74 HG LEU 74 -23.417 3.031 -2.159 578 HD11 LEU 74 HD11 LEU 74 -24.572 0.933 -2.745 579 HD12 LEU 74 HD12 LEU 74 -23.013 0.110 -2.775 580 HD13 LEU 74 HD13 LEU 74 -23.353 1.397 -3.931 581 HD21 LEU 74 HD21 LEU 74 -22.857 0.745 -0.275 582 HD22 LEU 74 HD22 LEU 74 -24.379 1.626 -0.414 583 HD23 LEU 74 HD23 LEU 74 -22.930 2.453 0.163 584 H GLU 75 HN GLU 75 -22.544 2.672 -5.342 585 HA GLU 75 HA GLU 75 -21.534 0.147 -6.273 586 HB2 GLU 75 HB2 GLU 75 -23.597 2.037 -7.403 587 HB3 GLU 75 HB1 GLU 75 -23.189 0.491 -8.131 588 HG2 GLU 75 HG2 GLU 75 -23.868 -0.632 -6.041 589 HG3 GLU 75 HG1 GLU 75 -24.361 0.933 -5.397 590 H VAL 76 HN VAL 76 -21.241 3.519 -7.250 591 HA VAL 76 HA VAL 76 -19.802 2.804 -9.658 592 HB VAL 76 HB VAL 76 -19.653 5.198 -10.102 593 HG11 VAL 76 HG11 VAL 76 -22.401 4.303 -9.240 594 HG12 VAL 76 HG12 VAL 76 -21.653 4.029 -10.813 595 HG13 VAL 76 HG13 VAL 76 -22.059 5.668 -10.304 596 HG21 VAL 76 HG21 VAL 76 -21.099 5.584 -7.484 597 HG22 VAL 76 HG22 VAL 76 -20.622 6.841 -8.622 598 HG23 VAL 76 HG23 VAL 76 -19.391 5.926 -7.752 599 H ILE 77 HN ILE 77 -19.066 3.603 -6.408 600 HA ILE 77 HA ILE 77 -16.385 4.515 -6.950 601 HB ILE 77 HB ILE 77 -17.650 3.732 -4.324 602 HG12 ILE 77 HG12 ILE 77 -17.124 6.564 -5.008 603 HG13 ILE 77 HG11 ILE 77 -18.427 5.788 -5.904 604 HG21 ILE 77 HG21 ILE 77 -15.129 5.279 -4.921 605 HG22 ILE 77 HG22 ILE 77 -15.220 3.658 -4.233 606 HG23 ILE 77 HG23 ILE 77 -15.828 5.039 -3.321 607 HD11 ILE 77 HD11 ILE 77 -19.319 6.897 -3.976 608 HD12 ILE 77 HD12 ILE 77 -18.199 6.038 -2.918 609 HD13 ILE 77 HD13 ILE 77 -19.466 5.153 -3.767 610 H ILE 78 HN ILE 78 -17.882 1.546 -5.696 611 HA ILE 78 HA ILE 78 -15.457 0.208 -5.139 612 HB ILE 78 HB ILE 78 -18.277 -0.750 -5.547 613 HG12 ILE 78 HG12 ILE 78 -17.715 0.460 -3.469 614 HG13 ILE 78 HG11 ILE 78 -18.160 -1.213 -3.156 615 HG21 ILE 78 HG21 ILE 78 -17.522 -2.981 -4.754 616 HG22 ILE 78 HG22 ILE 78 -15.855 -2.449 -4.973 617 HG23 ILE 78 HG23 ILE 78 -16.934 -2.563 -6.363 618 HD11 ILE 78 HD11 ILE 78 -15.342 -0.164 -3.277 619 HD12 ILE 78 HD12 ILE 78 -15.835 -1.809 -2.872 620 HD13 ILE 78 HD13 ILE 78 -16.260 -0.473 -1.804 621 H GLN 79 HN GLN 79 -17.160 0.740 -8.117 622 HA GLN 79 HA GLN 79 -15.932 -1.500 -9.470 623 HB2 GLN 79 HB2 GLN 79 -16.995 -0.620 -11.487 624 HB3 GLN 79 HB1 GLN 79 -18.150 -0.736 -10.166 625 HG2 GLN 79 HG2 GLN 79 -18.054 1.625 -9.794 626 HG3 GLN 79 HG1 GLN 79 -16.743 1.800 -10.961 627 HE21 GLN 79 HE21 GLN 79 -20.147 1.251 -10.526 628 HE22 GLN 79 HE22 GLN 79 -20.611 1.542 -12.164 629 H ARG 80 HN ARG 80 -14.950 1.564 -8.543 630 HA ARG 80 HA ARG 80 -13.219 2.116 -10.781 631 HB2 ARG 80 HB2 ARG 80 -13.419 3.365 -8.036 632 HB3 ARG 80 HB1 ARG 80 -12.341 3.934 -9.301 633 HG2 ARG 80 HG2 ARG 80 -15.337 3.808 -9.539 634 HG3 ARG 80 HG1 ARG 80 -14.415 5.250 -9.106 635 HD2 ARG 80 HD2 ARG 80 -13.159 4.927 -11.283 636 HD3 ARG 80 HD1 ARG 80 -14.385 3.733 -11.704 637 HE ARG 80 HE ARG 80 -15.830 5.933 -11.035 638 HH11 ARG 80 HH11 ARG 80 -13.230 5.321 -13.274 639 HH12 ARG 80 HH12 ARG 80 -13.722 6.559 -14.381 640 HH21 ARG 80 HH21 ARG 80 -16.480 7.566 -12.484 641 HH22 ARG 80 HH22 ARG 80 -15.570 7.835 -13.932 642 H LEU 81 HN LEU 81 -12.977 0.520 -7.693 643 HA LEU 81 HA LEU 81 -10.071 0.257 -8.014 644 HB2 LEU 81 HB2 LEU 81 -11.578 -0.676 -5.603 645 HB3 LEU 81 HB1 LEU 81 -9.909 -0.153 -5.728 646 HG LEU 81 HG LEU 81 -12.353 1.620 -5.804 647 HD11 LEU 81 HD11 LEU 81 -10.143 1.323 -3.778 648 HD12 LEU 81 HD12 LEU 81 -11.817 0.801 -3.584 649 HD13 LEU 81 HD13 LEU 81 -11.438 2.518 -3.719 650 HD21 LEU 81 HD21 LEU 81 -9.434 2.344 -6.035 651 HD22 LEU 81 HD22 LEU 81 -10.765 3.488 -5.859 652 HD23 LEU 81 HD23 LEU 81 -10.648 2.486 -7.306 653 H ASP 82 HN ASP 82 -12.983 -1.673 -7.386 654 HA ASP 82 HA ASP 82 -11.692 -4.186 -7.453 655 HB2 ASP 82 HB2 ASP 82 -13.859 -3.928 -6.398 656 HB3 ASP 82 HB1 ASP 82 -14.583 -3.438 -7.926 657 H MET 83 HN MET 83 -10.344 -4.100 -9.295 658 HA MET 83 HA MET 83 -11.359 -3.745 -11.929 659 HB2 MET 83 HB2 MET 83 -8.803 -5.085 -11.026 660 HB3 MET 83 HB1 MET 83 -9.163 -4.560 -12.665 661 HG2 MET 83 HG2 MET 83 -9.246 -2.245 -11.919 662 HG3 MET 83 HG1 MET 83 -8.924 -2.761 -10.264 663 HE1 MET 83 HE1 MET 83 -5.559 -1.029 -11.207 664 HE2 MET 83 HE2 MET 83 -6.912 -1.089 -10.077 665 HE3 MET 83 HE3 MET 83 -7.167 -0.526 -11.727 666 H ASP 84 HN ASP 84 -10.892 -6.519 -9.842 667 HA ASP 84 HA ASP 84 -11.206 -8.517 -11.829 668 HB2 ASP 84 HB2 ASP 84 -11.759 -8.702 -8.861 669 HB3 ASP 84 HB1 ASP 84 -11.531 -10.059 -9.959 670 H GLY 85 HN GLY 85 -13.426 -6.515 -10.115 671 HA2 GLY 85 HA2 GLY 85 -15.694 -6.235 -10.364 672 HA3 GLY 85 HA1 GLY 85 -15.615 -7.336 -11.732 673 H ASP 86 HN ASP 86 -14.636 -8.097 -8.430 674 HA ASP 86 HA ASP 86 -16.637 -10.235 -8.413 675 HB2 ASP 86 HB2 ASP 86 -15.317 -11.186 -6.562 676 HB3 ASP 86 HB1 ASP 86 -14.326 -10.915 -7.992 677 H GLY 87 HN GLY 87 -16.955 -7.245 -7.754 678 HA2 GLY 87 HA2 GLY 87 -18.416 -6.089 -6.401 679 HA3 GLY 87 HA1 GLY 87 -18.861 -7.618 -5.662 680 H GLN 88 HN GLN 88 -15.569 -7.389 -5.469 681 HA GLN 88 HA GLN 88 -15.560 -5.816 -3.006 682 HB2 GLN 88 HB2 GLN 88 -14.511 -8.648 -3.162 683 HB3 GLN 88 HB1 GLN 88 -14.371 -7.576 -1.776 684 HG2 GLN 88 HG2 GLN 88 -16.757 -7.580 -1.470 685 HG3 GLN 88 HG1 GLN 88 -16.978 -8.528 -2.940 686 HE21 GLN 88 HE21 GLN 88 -14.658 -10.206 -2.406 687 HE22 GLN 88 HE22 GLN 88 -15.127 -11.290 -1.145 688 H VAL 89 HN VAL 89 -13.512 -5.033 -2.398 689 HA VAL 89 HA VAL 89 -11.550 -5.069 -4.586 690 HB VAL 89 HB VAL 89 -11.783 -3.080 -2.324 691 HG11 VAL 89 HG11 VAL 89 -10.263 -1.719 -3.671 692 HG12 VAL 89 HG12 VAL 89 -10.162 -3.011 -4.868 693 HG13 VAL 89 HG13 VAL 89 -9.529 -3.264 -3.241 694 HG21 VAL 89 HG21 VAL 89 -12.704 -2.861 -5.190 695 HG22 VAL 89 HG22 VAL 89 -12.705 -1.550 -4.010 696 HG23 VAL 89 HG23 VAL 89 -13.739 -2.958 -3.764 697 H ASP 90 HN ASP 90 -9.580 -5.906 -4.301 698 HA ASP 90 HA ASP 90 -8.938 -7.110 -1.737 699 HB2 ASP 90 HB2 ASP 90 -8.637 -8.426 -3.788 700 HB3 ASP 90 HB1 ASP 90 -7.487 -7.238 -4.390 701 H PHE 91 HN PHE 91 -6.832 -6.850 -0.742 702 HA PHE 91 HA PHE 91 -6.156 -4.246 -0.170 703 HB2 PHE 91 HB2 PHE 91 -5.483 -6.109 1.245 704 HB3 PHE 91 HB1 PHE 91 -4.399 -6.705 -0.009 705 HD1 PHE 91 HD2 PHE 91 -4.987 -3.367 1.562 706 HD2 PHE 91 HD1 PHE 91 -2.207 -6.440 0.592 707 HE1 PHE 91 HE2 PHE 91 -3.169 -2.021 2.525 708 HE2 PHE 91 HE1 PHE 91 -0.382 -5.098 1.555 709 HZ PHE 91 HZ PHE 91 -0.863 -2.885 2.522 710 H GLU 92 HN GLU 92 -4.375 -6.432 -2.364 711 HA GLU 92 HA GLU 92 -2.357 -4.774 -3.178 712 HB2 GLU 92 HB2 GLU 92 -3.908 -6.744 -4.863 713 HB3 GLU 92 HB1 GLU 92 -2.369 -6.033 -5.326 714 HG2 GLU 92 HG2 GLU 92 -1.329 -7.049 -3.340 715 HG3 GLU 92 HG1 GLU 92 -2.872 -7.810 -2.949 716 H GLU 93 HN GLU 93 -5.449 -5.114 -4.948 717 HA GLU 93 HA GLU 93 -5.077 -3.136 -6.817 718 HB2 GLU 93 HB2 GLU 93 -7.673 -3.791 -5.413 719 HB3 GLU 93 HB1 GLU 93 -7.513 -2.993 -6.972 720 HG2 GLU 93 HG2 GLU 93 -6.668 -4.958 -7.991 721 HG3 GLU 93 HG1 GLU 93 -6.475 -5.759 -6.432 722 H PHE 94 HN PHE 94 -5.689 -2.771 -3.429 723 HA PHE 94 HA PHE 94 -6.408 0.035 -3.684 724 HB2 PHE 94 HB2 PHE 94 -7.555 -1.437 -2.041 725 HB3 PHE 94 HB1 PHE 94 -6.031 -1.623 -1.184 726 HD1 PHE 94 HD2 PHE 94 -7.890 1.291 -2.607 727 HD2 PHE 94 HD1 PHE 94 -6.020 -0.465 0.789 728 HE1 PHE 94 HE2 PHE 94 -8.394 3.306 -1.292 729 HE2 PHE 94 HE1 PHE 94 -6.524 1.549 2.113 730 HZ PHE 94 HZ PHE 94 -7.712 3.437 1.071 731 H VAL 95 HN VAL 95 -3.584 -1.884 -2.948 732 HA VAL 95 HA VAL 95 -2.173 0.191 -1.588 733 HB VAL 95 HB VAL 95 -0.283 -1.181 -1.559 734 HG11 VAL 95 HG11 VAL 95 -2.476 -3.222 -1.731 735 HG12 VAL 95 HG12 VAL 95 -2.341 -2.079 -0.396 736 HG13 VAL 95 HG13 VAL 95 -1.044 -3.233 -0.703 737 HG21 VAL 95 HG21 VAL 95 0.162 -3.026 -3.046 738 HG22 VAL 95 HG22 VAL 95 -0.150 -1.575 -3.996 739 HG23 VAL 95 HG23 VAL 95 -1.395 -2.811 -3.836 740 H THR 96 HN THR 96 -2.439 -0.779 -4.970 741 HA THR 96 HA THR 96 -0.290 0.925 -5.825 742 HB THR 96 HB THR 96 -2.442 -0.378 -7.503 743 HG1 THR 96 HG1 THR 96 -0.312 -1.425 -6.178 744 HG21 THR 96 HG21 THR 96 -1.248 1.440 -8.640 745 HG22 THR 96 HG22 THR 96 -0.839 -0.130 -9.333 746 HG23 THR 96 HG23 THR 96 0.291 0.675 -8.245 747 H LEU 97 HN LEU 97 -3.847 1.038 -6.063 748 HA LEU 97 HA LEU 97 -3.974 3.486 -7.448 749 HB2 LEU 97 HB2 LEU 97 -6.001 2.239 -5.590 750 HB3 LEU 97 HB1 LEU 97 -6.323 3.564 -6.693 751 HG LEU 97 HG LEU 97 -5.461 0.802 -7.553 752 HD11 LEU 97 HD11 LEU 97 -7.679 0.764 -6.532 753 HD12 LEU 97 HD12 LEU 97 -7.767 0.497 -8.272 754 HD13 LEU 97 HD13 LEU 97 -8.195 2.070 -7.600 755 HD21 LEU 97 HD21 LEU 97 -4.821 2.554 -9.122 756 HD22 LEU 97 HD22 LEU 97 -6.475 3.166 -9.130 757 HD23 LEU 97 HD23 LEU 97 -6.124 1.565 -9.781 758 H LEU 98 HN LEU 98 -3.382 2.756 -4.131 759 HA LEU 98 HA LEU 98 -3.878 5.531 -3.329 760 HB2 LEU 98 HB2 LEU 98 -4.821 3.775 -1.910 761 HB3 LEU 98 HB1 LEU 98 -3.225 3.090 -1.677 762 HG LEU 98 HG LEU 98 -3.536 5.924 -0.885 763 HD11 LEU 98 HD11 LEU 98 -4.575 5.331 1.251 764 HD12 LEU 98 HD12 LEU 98 -4.809 3.680 0.677 765 HD13 LEU 98 HD13 LEU 98 -5.654 5.014 -0.109 766 HD21 LEU 98 HD21 LEU 98 -1.437 4.772 -0.552 767 HD22 LEU 98 HD22 LEU 98 -2.247 3.495 0.356 768 HD23 LEU 98 HD23 LEU 98 -2.169 5.130 1.012 769 H GLY 99 HN GLY 99 -1.364 3.440 -4.254 770 HA2 GLY 99 HA2 GLY 99 0.627 5.354 -3.200 771 HA3 GLY 99 HA1 GLY 99 0.925 3.624 -3.245 772 HA PRO 100 HA PRO 100 1.009 5.006 -7.857 773 HB2 PRO 100 HB2 PRO 100 0.852 7.650 -8.414 774 HB3 PRO 100 HB1 PRO 100 -0.577 6.621 -8.275 775 HG2 PRO 100 HG2 PRO 100 0.610 8.494 -6.266 776 HG3 PRO 100 HG1 PRO 100 -1.093 8.241 -6.691 777 HD2 PRO 100 HD2 PRO 100 0.061 7.141 -4.489 778 HD3 PRO 100 HD1 PRO 100 -1.275 6.368 -5.367 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -33.559 15.387 11.298 2 H2 MET 1 HT2 MET 1 -34.907 14.631 10.615 3 H3 MET 1 HT3 MET 1 -34.608 14.490 12.274 4 HA MET 1 HA MET 1 -36.352 16.027 12.013 5 HB2 MET 1 HB2 MET 1 -33.735 17.430 12.577 6 HB3 MET 1 HB1 MET 1 -35.321 18.088 12.956 7 HG2 MET 1 HG2 MET 1 -35.749 16.245 14.472 8 HG3 MET 1 HG1 MET 1 -34.195 15.525 14.060 9 HE1 MET 1 HE1 MET 1 -33.587 16.717 17.726 10 HE2 MET 1 HE2 MET 1 -33.624 15.349 16.613 11 HE3 MET 1 HE3 MET 1 -35.128 16.136 17.094 12 HA PRO 2 HA PRO 2 -35.153 19.208 8.653 13 HB2 PRO 2 HB2 PRO 2 -32.807 19.067 7.369 14 HB3 PRO 2 HB1 PRO 2 -32.945 19.839 8.953 15 HG2 PRO 2 HG2 PRO 2 -31.962 17.096 8.263 16 HG3 PRO 2 HG1 PRO 2 -31.285 18.272 9.405 17 HD2 PRO 2 HD2 PRO 2 -32.865 16.161 10.146 18 HD3 PRO 2 HD1 PRO 2 -32.737 17.671 11.070 19 H PHE 3 HN PHE 3 -36.044 19.022 6.663 20 HA PHE 3 HA PHE 3 -35.885 16.395 5.361 21 HB2 PHE 3 HB2 PHE 3 -37.927 18.608 5.085 22 HB3 PHE 3 HB1 PHE 3 -37.949 17.111 4.160 23 HD1 PHE 3 HD2 PHE 3 -37.954 14.918 5.560 24 HD2 PHE 3 HD1 PHE 3 -39.089 18.730 7.074 25 HE1 PHE 3 HE2 PHE 3 -39.222 13.821 7.360 26 HE2 PHE 3 HE1 PHE 3 -40.358 17.640 8.877 27 HZ PHE 3 HZ PHE 3 -40.427 15.183 9.021 28 H HIS 4 HN HIS 4 -34.449 19.324 5.153 29 HA HIS 4 HA HIS 4 -34.426 19.483 2.242 30 HB2 HIS 4 HB2 HIS 4 -33.157 21.556 2.558 31 HB3 HIS 4 HB1 HIS 4 -34.635 21.572 3.514 32 HD1 HIS 4 HD1 HIS 4 -34.397 21.750 6.037 33 HD2 HIS 4 HD2 HIS 4 -30.759 21.311 4.078 34 HE1 HIS 4 HE1 HIS 4 -32.637 22.215 7.773 35 HE2 HIS 4 HE2 HIS 4 -30.443 21.892 6.578 36 HA PRO 5 HA PRO 5 -30.639 17.254 1.786 37 HB2 PRO 5 HB2 PRO 5 -29.607 18.436 -0.434 38 HB3 PRO 5 HB1 PRO 5 -30.976 17.320 -0.485 39 HG2 PRO 5 HG2 PRO 5 -30.969 20.314 -0.531 40 HG3 PRO 5 HG1 PRO 5 -31.928 19.181 -1.502 41 HD2 PRO 5 HD2 PRO 5 -32.941 20.453 0.658 42 HD3 PRO 5 HD1 PRO 5 -33.448 18.816 0.195 43 H VAL 6 HN VAL 6 -29.162 17.629 3.346 44 HA VAL 6 HA VAL 6 -27.368 19.923 2.983 45 HB VAL 6 HB VAL 6 -28.981 20.471 4.789 46 HG11 VAL 6 HG11 VAL 6 -29.387 18.204 5.604 47 HG12 VAL 6 HG12 VAL 6 -28.877 19.272 6.912 48 HG13 VAL 6 HG13 VAL 6 -27.734 18.124 6.214 49 HG21 VAL 6 HG21 VAL 6 -27.295 21.115 6.468 50 HG22 VAL 6 HG22 VAL 6 -26.772 21.465 4.820 51 HG23 VAL 6 HG23 VAL 6 -26.125 20.062 5.670 52 H THR 7 HN THR 7 -27.903 16.644 3.887 53 HA THR 7 HA THR 7 -26.521 14.876 4.232 54 HB THR 7 HB THR 7 -24.337 16.688 3.183 55 HG1 THR 7 HG1 THR 7 -25.886 14.761 1.768 56 HG21 THR 7 HG21 THR 7 -23.464 14.718 4.336 57 HG22 THR 7 HG22 THR 7 -23.208 14.587 2.595 58 HG23 THR 7 HG23 THR 7 -24.507 13.678 3.367 59 H ALA 8 HN ALA 8 -24.003 17.281 4.853 60 HA ALA 8 HA ALA 8 -23.989 16.423 7.675 61 HB1 ALA 8 HB1 ALA 8 -21.590 16.841 7.693 62 HB2 ALA 8 HB2 ALA 8 -21.652 17.347 6.005 63 HB3 ALA 8 HB3 ALA 8 -22.011 15.676 6.439 64 H ALA 9 HN ALA 9 -23.376 18.003 9.256 65 HA ALA 9 HA ALA 9 -24.520 20.582 8.729 66 HB1 ALA 9 HB1 ALA 9 -23.110 19.581 11.201 67 HB2 ALA 9 HB2 ALA 9 -24.839 19.448 10.882 68 HB3 ALA 9 HB3 ALA 9 -24.098 21.036 11.081 69 H LEU 10 HN LEU 10 -21.479 19.268 8.282 70 HA LEU 10 HA LEU 10 -19.420 20.109 7.814 71 HB2 LEU 10 HB2 LEU 10 -20.966 22.645 7.271 72 HB3 LEU 10 HB1 LEU 10 -19.338 22.296 6.721 73 HG LEU 10 HG LEU 10 -21.822 20.800 5.877 74 HD11 LEU 10 HD11 LEU 10 -20.122 22.790 4.382 75 HD12 LEU 10 HD12 LEU 10 -21.758 23.065 4.982 76 HD13 LEU 10 HD13 LEU 10 -21.472 21.874 3.713 77 HD21 LEU 10 HD21 LEU 10 -18.957 20.571 4.962 78 HD22 LEU 10 HD22 LEU 10 -20.335 19.763 4.215 79 HD23 LEU 10 HD23 LEU 10 -19.869 19.362 5.868 80 H MET 11 HN MET 11 -18.165 22.485 8.180 81 HA MET 11 HA MET 11 -18.651 23.578 10.784 82 HB2 MET 11 HB2 MET 11 -16.515 22.854 11.784 83 HB3 MET 11 HB1 MET 11 -17.600 21.505 11.479 84 HG2 MET 11 HG2 MET 11 -15.417 22.276 9.572 85 HG3 MET 11 HG1 MET 11 -15.154 21.172 10.919 86 HE1 MET 11 HE1 MET 11 -17.863 19.602 11.092 87 HE2 MET 11 HE2 MET 11 -16.301 18.784 11.133 88 HE3 MET 11 HE3 MET 11 -17.564 18.220 10.039 89 H TYR 12 HN TYR 12 -16.593 24.958 11.429 90 HA TYR 12 HA TYR 12 -16.234 26.831 9.332 91 HB2 TYR 12 HB2 TYR 12 -14.839 26.568 12.002 92 HB3 TYR 12 HB1 TYR 12 -14.668 27.947 10.921 93 HD1 TYR 12 HD1 TYR 12 -16.584 29.454 10.523 94 HD2 TYR 12 HD2 TYR 12 -16.793 26.293 13.363 95 HE1 TYR 12 HE1 TYR 12 -18.562 30.504 11.538 96 HE2 TYR 12 HE2 TYR 12 -18.772 27.336 14.385 97 HH TYR 12 HH TYR 12 -20.495 29.856 12.899 98 H ARG 13 HN ARG 13 -13.809 24.845 11.046 99 HA ARG 13 HA ARG 13 -11.881 25.300 8.937 100 HB2 ARG 13 HB2 ARG 13 -11.701 23.573 11.414 101 HB3 ARG 13 HB1 ARG 13 -10.365 23.963 10.338 102 HG2 ARG 13 HG2 ARG 13 -10.564 26.317 10.918 103 HG3 ARG 13 HG1 ARG 13 -11.932 25.951 11.970 104 HD2 ARG 13 HD2 ARG 13 -9.098 24.971 12.295 105 HD3 ARG 13 HD1 ARG 13 -9.911 26.183 13.286 106 HE ARG 13 HE ARG 13 -11.313 23.700 13.269 107 HH11 ARG 13 HH11 ARG 13 -8.602 25.376 14.681 108 HH12 ARG 13 HH12 ARG 13 -8.606 24.425 16.128 109 HH21 ARG 13 HH21 ARG 13 -11.323 22.445 15.167 110 HH22 ARG 13 HH22 ARG 13 -10.152 22.759 16.405 111 H GLY 14 HN GLY 14 -10.517 22.914 8.824 112 HA2 GLY 14 HA2 GLY 14 -12.448 21.229 7.368 113 HA3 GLY 14 HA1 GLY 14 -10.730 21.333 7.012 114 H ILE 15 HN ILE 15 -10.180 19.216 7.227 115 HA ILE 15 HA ILE 15 -9.751 18.211 9.844 116 HB ILE 15 HB ILE 15 -12.169 17.730 9.671 117 HG12 ILE 15 HG12 ILE 15 -12.000 15.268 10.178 118 HG13 ILE 15 HG11 ILE 15 -10.309 15.348 9.694 119 HG21 ILE 15 HG21 ILE 15 -12.995 16.066 8.107 120 HG22 ILE 15 HG22 ILE 15 -11.389 15.921 7.391 121 HG23 ILE 15 HG23 ILE 15 -12.287 17.432 7.245 122 HD11 ILE 15 HD11 ILE 15 -10.562 15.450 12.111 123 HD12 ILE 15 HD12 ILE 15 -11.561 16.894 11.951 124 HD13 ILE 15 HD13 ILE 15 -9.863 16.939 11.478 125 H TYR 16 HN TYR 16 -7.940 17.075 9.723 126 HA TYR 16 HA TYR 16 -6.143 15.977 8.859 127 HB2 TYR 16 HB2 TYR 16 -8.467 14.434 7.728 128 HB3 TYR 16 HB1 TYR 16 -6.804 13.933 7.442 129 HD1 TYR 16 HD2 TYR 16 -8.600 15.214 10.462 130 HD2 TYR 16 HD1 TYR 16 -6.300 12.086 8.729 131 HE1 TYR 16 HE2 TYR 16 -8.593 14.039 12.617 132 HE2 TYR 16 HE1 TYR 16 -6.283 10.898 10.883 133 HH TYR 16 HH TYR 16 -8.309 11.759 13.472 134 H THR 17 HN THR 17 -5.876 14.645 6.339 135 HA THR 17 HA THR 17 -5.222 15.010 4.197 136 HB THR 17 HB THR 17 -7.112 17.370 4.261 137 HG1 THR 17 HG1 THR 17 -7.881 15.077 2.949 138 HG21 THR 17 HG21 THR 17 -7.149 17.110 1.824 139 HG22 THR 17 HG22 THR 17 -5.960 15.812 1.943 140 HG23 THR 17 HG23 THR 17 -5.519 17.456 2.403 141 H VAL 18 HN VAL 18 -3.096 15.498 4.639 142 HA VAL 18 HA VAL 18 -2.336 18.235 5.237 143 HB VAL 18 HB VAL 18 0.006 17.285 5.210 144 HG11 VAL 18 HG11 VAL 18 -1.992 16.016 7.081 145 HG12 VAL 18 HG12 VAL 18 -1.250 17.604 7.277 146 HG13 VAL 18 HG13 VAL 18 -0.255 16.150 7.364 147 HG21 VAL 18 HG21 VAL 18 -0.413 15.370 3.757 148 HG22 VAL 18 HG22 VAL 18 -1.495 14.678 4.965 149 HG23 VAL 18 HG23 VAL 18 0.226 14.845 5.314 150 HA PRO 19 HA PRO 19 -1.684 19.024 0.886 151 HB2 PRO 19 HB2 PRO 19 -1.026 21.612 1.058 152 HB3 PRO 19 HB1 PRO 19 -2.672 21.052 1.379 153 HG2 PRO 19 HG2 PRO 19 -0.518 21.815 3.303 154 HG3 PRO 19 HG1 PRO 19 -2.258 22.147 3.376 155 HD2 PRO 19 HD2 PRO 19 -0.971 20.112 4.744 156 HD3 PRO 19 HD1 PRO 19 -2.705 20.148 4.373 157 H ASN 20 HN ASN 20 0.737 20.517 3.067 158 HA ASN 20 HA ASN 20 2.805 19.831 1.095 159 HB2 ASN 20 HB2 ASN 20 2.877 21.817 3.374 160 HB3 ASN 20 HB1 ASN 20 4.200 21.511 2.256 161 HD21 ASN 20 HD21 ASN 20 2.429 21.175 -0.029 162 HD22 ASN 20 HD22 ASN 20 1.887 22.760 -0.453 163 H LEU 21 HN LEU 21 3.989 18.093 1.489 164 HA LEU 21 HA LEU 21 5.053 17.621 4.122 165 HB2 LEU 21 HB2 LEU 21 4.323 15.196 4.092 166 HB3 LEU 21 HB1 LEU 21 3.114 16.387 4.516 167 HG LEU 21 HG LEU 21 2.285 14.541 3.064 168 HD11 LEU 21 HD11 LEU 21 0.936 15.921 1.669 169 HD12 LEU 21 HD12 LEU 21 2.113 17.233 1.736 170 HD13 LEU 21 HD13 LEU 21 1.213 16.781 3.184 171 HD21 LEU 21 HD21 LEU 21 4.270 14.240 1.683 172 HD22 LEU 21 HD22 LEU 21 4.025 15.836 0.973 173 HD23 LEU 21 HD23 LEU 21 2.844 14.555 0.692 174 H LEU 22 HN LEU 22 5.490 17.813 0.953 175 HA LEU 22 HA LEU 22 7.199 15.552 0.484 176 HB2 LEU 22 HB2 LEU 22 7.572 16.445 -1.671 177 HB3 LEU 22 HB1 LEU 22 5.891 16.762 -1.294 178 HG LEU 22 HG LEU 22 8.066 18.829 -0.984 179 HD11 LEU 22 HD11 LEU 22 6.177 18.412 -3.297 180 HD12 LEU 22 HD12 LEU 22 7.918 18.131 -3.320 181 HD13 LEU 22 HD13 LEU 22 7.291 19.764 -3.095 182 HD21 LEU 22 HD21 LEU 22 5.060 19.043 -1.095 183 HD22 LEU 22 HD22 LEU 22 6.186 20.396 -0.985 184 HD23 LEU 22 HD23 LEU 22 6.064 19.241 0.341 185 H SER 23 HN SER 23 7.590 18.821 1.608 186 HA SER 23 HA SER 23 10.381 19.048 1.173 187 HB2 SER 23 HB2 SER 23 10.261 20.940 2.752 188 HB3 SER 23 HB1 SER 23 8.970 21.014 1.552 189 HG SER 23 HG SER 23 8.808 20.261 4.271 190 H GLU 24 HN GLU 24 8.645 17.093 3.264 191 HA GLU 24 HA GLU 24 10.949 16.849 5.086 192 HB2 GLU 24 HB2 GLU 24 8.063 16.151 5.658 193 HB3 GLU 24 HB1 GLU 24 9.406 16.014 6.786 194 HG2 GLU 24 HG2 GLU 24 9.710 18.429 6.734 195 HG3 GLU 24 HG1 GLU 24 8.382 18.577 5.583 196 H GLN 25 HN GLN 25 8.605 15.159 3.102 197 HA GLN 25 HA GLN 25 10.366 12.880 2.921 198 HB2 GLN 25 HB2 GLN 25 9.211 12.196 4.891 199 HB3 GLN 25 HB1 GLN 25 7.654 12.667 4.224 200 HG2 GLN 25 HG2 GLN 25 7.717 10.866 2.645 201 HG3 GLN 25 HG1 GLN 25 9.364 10.451 3.121 202 HE21 GLN 25 HE21 GLN 25 6.008 10.342 3.998 203 HE22 GLN 25 HE22 GLN 25 6.170 9.205 5.288 204 H ARG 26 HN ARG 26 10.281 12.035 0.941 205 HA ARG 26 HA ARG 26 8.187 12.964 -0.870 206 HB2 ARG 26 HB2 ARG 26 10.781 11.515 -1.435 207 HB3 ARG 26 HB1 ARG 26 9.668 12.116 -2.656 208 HG2 ARG 26 HG2 ARG 26 10.046 14.407 -1.844 209 HG3 ARG 26 HG1 ARG 26 11.207 13.780 -0.672 210 HD2 ARG 26 HD2 ARG 26 12.339 14.655 -2.646 211 HD3 ARG 26 HD1 ARG 26 12.588 12.916 -2.490 212 HE ARG 26 HE ARG 26 10.413 13.780 -4.219 213 HH11 ARG 26 HH11 ARG 26 13.700 12.650 -3.942 214 HH12 ARG 26 HH12 ARG 26 13.800 12.146 -5.596 215 HH21 ARG 26 HH21 ARG 26 10.541 13.119 -6.396 216 HH22 ARG 26 HH22 ARG 26 12.008 12.414 -6.990 217 HA PRO 27 HA PRO 27 6.077 9.091 -1.051 218 HB2 PRO 27 HB2 PRO 27 5.672 9.404 -3.937 219 HB3 PRO 27 HB1 PRO 27 4.486 9.447 -2.629 220 HG2 PRO 27 HG2 PRO 27 5.177 11.656 -4.008 221 HG3 PRO 27 HG1 PRO 27 4.747 11.710 -2.288 222 HD2 PRO 27 HD2 PRO 27 7.460 11.749 -3.565 223 HD3 PRO 27 HD1 PRO 27 6.843 12.708 -2.202 224 H VAL 28 HN VAL 28 9.056 9.429 -2.280 225 HA VAL 28 HA VAL 28 9.109 6.961 -3.833 226 HB VAL 28 HB VAL 28 11.523 7.493 -4.165 227 HG11 VAL 28 HG11 VAL 28 9.858 8.193 -5.795 228 HG12 VAL 28 HG12 VAL 28 11.141 9.396 -5.663 229 HG13 VAL 28 HG13 VAL 28 9.580 9.683 -4.893 230 HG21 VAL 28 HG21 VAL 28 10.824 10.024 -2.681 231 HG22 VAL 28 HG22 VAL 28 12.340 9.711 -3.524 232 HG23 VAL 28 HG23 VAL 28 11.902 8.752 -2.110 233 H ASP 29 HN ASP 29 9.912 5.068 -3.137 234 HA ASP 29 HA ASP 29 10.582 3.442 -1.693 235 HB2 ASP 29 HB2 ASP 29 12.437 5.612 -0.691 236 HB3 ASP 29 HB1 ASP 29 12.624 3.884 -0.409 237 H ILE 30 HN ILE 30 8.545 3.399 -0.617 238 HA ILE 30 HA ILE 30 8.372 4.852 1.912 239 HB ILE 30 HB ILE 30 6.315 3.166 0.480 240 HG12 ILE 30 HG12 ILE 30 6.758 5.291 -0.644 241 HG13 ILE 30 HG11 ILE 30 5.167 5.315 0.110 242 HG21 ILE 30 HG21 ILE 30 5.957 3.012 2.857 243 HG22 ILE 30 HG22 ILE 30 4.724 4.053 2.148 244 HG23 ILE 30 HG23 ILE 30 6.081 4.763 3.024 245 HD11 ILE 30 HD11 ILE 30 6.072 6.622 1.966 246 HD12 ILE 30 HD12 ILE 30 6.307 7.429 0.415 247 HD13 ILE 30 HD13 ILE 30 7.659 6.609 1.196 248 HA PRO 31 HA PRO 31 9.686 1.165 4.066 249 HB2 PRO 31 HB2 PRO 31 9.246 2.019 6.591 250 HB3 PRO 31 HB1 PRO 31 10.599 2.609 5.616 251 HG2 PRO 31 HG2 PRO 31 7.946 3.892 6.148 252 HG3 PRO 31 HG1 PRO 31 9.563 4.623 6.149 253 HD2 PRO 31 HD2 PRO 31 7.850 4.831 4.052 254 HD3 PRO 31 HD1 PRO 31 9.614 4.815 3.857 255 H GLU 32 HN GLU 32 8.755 -0.607 5.013 256 HA GLU 32 HA GLU 32 6.108 -1.200 4.608 257 HB2 GLU 32 HB2 GLU 32 7.873 -2.860 5.058 258 HB3 GLU 32 HB1 GLU 32 7.904 -2.363 6.743 259 HG2 GLU 32 HG2 GLU 32 5.587 -3.100 6.999 260 HG3 GLU 32 HG1 GLU 32 5.568 -3.609 5.311 261 H ASP 33 HN ASP 33 7.413 0.750 7.101 262 HA ASP 33 HA ASP 33 5.559 0.332 9.159 263 HB2 ASP 33 HB2 ASP 33 7.049 2.860 8.430 264 HB3 ASP 33 HB1 ASP 33 6.233 2.567 9.963 265 H GLU 34 HN GLU 34 5.410 2.394 6.292 266 HA GLU 34 HA GLU 34 2.928 3.593 7.108 267 HB2 GLU 34 HB2 GLU 34 4.142 5.119 5.894 268 HB3 GLU 34 HB1 GLU 34 4.846 3.892 4.850 269 HG2 GLU 34 HG2 GLU 34 3.121 3.932 3.395 270 HG3 GLU 34 HG1 GLU 34 1.951 4.386 4.627 271 H LEU 35 HN LEU 35 3.983 0.855 5.302 272 HA LEU 35 HA LEU 35 1.660 0.526 3.681 273 HB2 LEU 35 HB2 LEU 35 3.856 -0.536 3.198 274 HB3 LEU 35 HB1 LEU 35 3.630 -1.573 4.593 275 HG LEU 35 HG LEU 35 1.348 -2.105 3.251 276 HD11 LEU 35 HD11 LEU 35 1.777 -2.291 0.896 277 HD12 LEU 35 HD12 LEU 35 3.413 -1.666 1.104 278 HD13 LEU 35 HD13 LEU 35 2.026 -0.616 1.393 279 HD21 LEU 35 HD21 LEU 35 4.018 -3.421 2.770 280 HD22 LEU 35 HD22 LEU 35 2.433 -4.146 2.496 281 HD23 LEU 35 HD23 LEU 35 2.943 -3.734 4.133 282 H GLU 36 HN GLU 36 2.531 -0.342 6.934 283 HA GLU 36 HA GLU 36 0.560 -2.309 7.397 284 HB2 GLU 36 HB2 GLU 36 2.520 -1.985 8.852 285 HB3 GLU 36 HB1 GLU 36 1.883 -0.428 9.363 286 HG2 GLU 36 HG2 GLU 36 1.456 -2.081 11.053 287 HG3 GLU 36 HG1 GLU 36 -0.067 -1.565 10.331 288 H GLU 37 HN GLU 37 0.483 1.172 7.390 289 HA GLU 37 HA GLU 37 -1.955 1.473 8.834 290 HB2 GLU 37 HB2 GLU 37 -0.326 3.298 8.610 291 HB3 GLU 37 HB1 GLU 37 -0.606 3.343 6.876 292 HG2 GLU 37 HG2 GLU 37 -2.904 4.033 7.243 293 HG3 GLU 37 HG1 GLU 37 -2.669 3.932 8.987 294 H ILE 38 HN ILE 38 -1.171 0.647 5.584 295 HA ILE 38 HA ILE 38 -3.540 1.486 4.295 296 HB ILE 38 HB ILE 38 -1.749 -0.833 3.554 297 HG12 ILE 38 HG12 ILE 38 -1.653 2.033 2.592 298 HG13 ILE 38 HG11 ILE 38 -0.574 1.363 3.810 299 HG21 ILE 38 HG21 ILE 38 -3.881 -0.921 2.406 300 HG22 ILE 38 HG22 ILE 38 -2.611 -0.447 1.278 301 HG23 ILE 38 HG23 ILE 38 -3.718 0.767 1.921 302 HD11 ILE 38 HD11 ILE 38 -0.789 0.485 0.941 303 HD12 ILE 38 HD12 ILE 38 0.262 -0.243 2.155 304 HD13 ILE 38 HD13 ILE 38 0.515 1.431 1.659 305 H ARG 39 HN ARG 39 -2.588 -1.711 5.563 306 HA ARG 39 HA ARG 39 -5.014 -3.008 4.984 307 HB2 ARG 39 HB2 ARG 39 -2.975 -3.598 7.135 308 HB3 ARG 39 HB1 ARG 39 -4.290 -4.674 6.685 309 HG2 ARG 39 HG2 ARG 39 -2.806 -5.603 5.313 310 HG3 ARG 39 HG1 ARG 39 -3.101 -4.206 4.277 311 HD2 ARG 39 HD2 ARG 39 -1.214 -3.044 5.233 312 HD3 ARG 39 HD1 ARG 39 -0.963 -4.341 6.400 313 HE ARG 39 HE ARG 39 -0.594 -4.663 3.492 314 HH11 ARG 39 HH11 ARG 39 0.304 -5.343 6.790 315 HH12 ARG 39 HH12 ARG 39 1.630 -6.366 6.351 316 HH21 ARG 39 HH21 ARG 39 1.151 -6.007 2.909 317 HH22 ARG 39 HH22 ARG 39 2.112 -6.742 4.147 318 H GLU 40 HN GLU 40 -3.872 -2.113 8.238 319 HA GLU 40 HA GLU 40 -6.069 -2.530 9.723 320 HB2 GLU 40 HB2 GLU 40 -3.862 -1.586 10.482 321 HB3 GLU 40 HB1 GLU 40 -4.441 -0.004 9.985 322 HG2 GLU 40 HG2 GLU 40 -5.990 -1.670 11.927 323 HG3 GLU 40 HG1 GLU 40 -4.631 -0.679 12.454 324 H ALA 41 HN ALA 41 -5.757 0.021 7.361 325 HA ALA 41 HA ALA 41 -7.907 1.627 8.280 326 HB1 ALA 41 HB1 ALA 41 -6.747 1.440 5.506 327 HB2 ALA 41 HB2 ALA 41 -6.150 2.476 6.803 328 HB3 ALA 41 HB3 ALA 41 -7.759 2.741 6.130 329 H PHE 42 HN PHE 42 -7.903 -0.026 5.129 330 HA PHE 42 HA PHE 42 -10.757 -0.173 5.139 331 HB2 PHE 42 HB2 PHE 42 -8.584 -0.892 3.226 332 HB3 PHE 42 HB1 PHE 42 -10.192 -1.551 2.968 333 HD1 PHE 42 HD1 PHE 42 -9.256 1.799 4.280 334 HD2 PHE 42 HD2 PHE 42 -10.944 -0.434 1.072 335 HE1 PHE 42 HE1 PHE 42 -9.950 3.893 3.192 336 HE2 PHE 42 HE2 PHE 42 -11.638 1.658 -0.021 337 HZ PHE 42 HZ PHE 42 -11.146 3.824 1.040 338 H LYS 43 HN LYS 43 -8.270 -2.295 6.167 339 HA LYS 43 HA LYS 43 -9.585 -4.763 5.739 340 HB2 LYS 43 HB2 LYS 43 -7.084 -4.136 6.481 341 HB3 LYS 43 HB1 LYS 43 -7.754 -4.507 8.063 342 HG2 LYS 43 HG2 LYS 43 -7.252 -6.623 7.615 343 HG3 LYS 43 HG1 LYS 43 -8.616 -6.599 6.498 344 HD2 LYS 43 HD2 LYS 43 -5.765 -5.920 5.787 345 HD3 LYS 43 HD1 LYS 43 -6.568 -7.451 5.437 346 HE2 LYS 43 HE2 LYS 43 -7.342 -4.731 4.383 347 HE3 LYS 43 HE1 LYS 43 -6.568 -6.028 3.471 348 HZ1 LYS 43 HZ1 LYS 43 -8.924 -5.973 3.023 349 HZ2 LYS 43 HZ2 LYS 43 -9.284 -6.118 4.669 350 HZ3 LYS 43 HZ3 LYS 43 -8.539 -7.398 3.851 351 H VAL 44 HN VAL 44 -9.566 -2.490 8.470 352 HA VAL 44 HA VAL 44 -11.086 -4.198 10.175 353 HB VAL 44 HB VAL 44 -11.408 -2.246 11.610 354 HG11 VAL 44 HG11 VAL 44 -9.027 -1.772 12.063 355 HG12 VAL 44 HG12 VAL 44 -8.608 -2.556 10.540 356 HG13 VAL 44 HG13 VAL 44 -9.356 -3.491 11.836 357 HG21 VAL 44 HG21 VAL 44 -11.723 -0.550 9.882 358 HG22 VAL 44 HG22 VAL 44 -10.028 -0.698 9.421 359 HG23 VAL 44 HG23 VAL 44 -10.456 -0.077 11.014 360 H PHE 45 HN PHE 45 -11.936 -1.631 7.883 361 HA PHE 45 HA PHE 45 -14.621 -1.335 8.634 362 HB2 PHE 45 HB2 PHE 45 -13.361 -1.036 5.896 363 HB3 PHE 45 HB1 PHE 45 -15.000 -0.539 6.295 364 HD1 PHE 45 HD1 PHE 45 -14.803 0.778 8.824 365 HD2 PHE 45 HD2 PHE 45 -12.065 0.829 5.568 366 HE1 PHE 45 HE1 PHE 45 -13.966 2.968 9.567 367 HE2 PHE 45 HE2 PHE 45 -11.219 3.015 6.307 368 HZ PHE 45 HZ PHE 45 -12.169 4.090 8.310 369 H ASP 46 HN ASP 46 -13.023 -3.958 7.166 370 HA ASP 46 HA ASP 46 -15.276 -5.089 5.813 371 HB2 ASP 46 HB2 ASP 46 -12.789 -5.561 5.372 372 HB3 ASP 46 HB1 ASP 46 -12.862 -6.618 6.778 373 H ARG 47 HN ARG 47 -17.020 -5.434 7.085 374 HA ARG 47 HA ARG 47 -16.900 -6.272 9.784 375 HB2 ARG 47 HB2 ARG 47 -19.232 -6.488 7.876 376 HB3 ARG 47 HB1 ARG 47 -19.311 -6.511 9.633 377 HG2 ARG 47 HG2 ARG 47 -18.305 -4.188 9.574 378 HG3 ARG 47 HG1 ARG 47 -18.616 -4.208 7.837 379 HD2 ARG 47 HD2 ARG 47 -20.669 -4.538 10.023 380 HD3 ARG 47 HD1 ARG 47 -20.428 -3.104 9.028 381 HE ARG 47 HE ARG 47 -20.917 -5.354 7.391 382 HH11 ARG 47 HH11 ARG 47 -22.528 -3.149 9.558 383 HH12 ARG 47 HH12 ARG 47 -24.072 -3.326 8.795 384 HH21 ARG 47 HH21 ARG 47 -22.949 -5.594 6.384 385 HH22 ARG 47 HH22 ARG 47 -24.312 -4.715 6.991 386 H ASP 48 HN ASP 48 -17.357 -8.042 6.754 387 HA ASP 48 HA ASP 48 -17.877 -10.535 8.066 388 HB2 ASP 48 HB2 ASP 48 -17.087 -10.020 5.192 389 HB3 ASP 48 HB1 ASP 48 -17.781 -11.508 5.829 390 H GLY 49 HN GLY 49 -15.063 -8.776 7.334 391 HA2 GLY 49 HA2 GLY 49 -12.827 -9.245 7.513 392 HA3 GLY 49 HA1 GLY 49 -13.320 -10.498 8.641 393 H ASN 50 HN ASN 50 -14.514 -10.720 5.406 394 HA ASN 50 HA ASN 50 -13.107 -13.200 5.030 395 HB2 ASN 50 HB2 ASN 50 -14.283 -13.015 2.705 396 HB3 ASN 50 HB1 ASN 50 -15.246 -13.325 4.144 397 HD21 ASN 50 HD21 ASN 50 -13.842 -10.213 3.416 398 HD22 ASN 50 HD22 ASN 50 -15.331 -9.404 3.086 399 H GLY 51 HN GLY 51 -12.187 -10.070 4.631 400 HA2 GLY 51 HA2 GLY 51 -10.020 -9.507 3.834 401 HA3 GLY 51 HA1 GLY 51 -10.101 -10.871 2.729 402 H PHE 52 HN PHE 52 -12.942 -9.929 2.059 403 HA PHE 52 HA PHE 52 -12.104 -7.829 0.171 404 HB2 PHE 52 HB2 PHE 52 -14.505 -9.565 -0.289 405 HB3 PHE 52 HB1 PHE 52 -13.500 -8.725 -1.463 406 HD1 PHE 52 HD2 PHE 52 -11.365 -9.656 -2.175 407 HD2 PHE 52 HD1 PHE 52 -13.895 -11.731 0.547 408 HE1 PHE 52 HE2 PHE 52 -10.089 -11.722 -2.570 409 HE2 PHE 52 HE1 PHE 52 -12.624 -13.800 0.160 410 HZ PHE 52 HZ PHE 52 -10.718 -13.799 -1.402 411 H ILE 53 HN ILE 53 -13.142 -5.928 0.192 412 HA ILE 53 HA ILE 53 -15.285 -5.577 2.147 413 HB ILE 53 HB ILE 53 -13.692 -3.501 0.637 414 HG12 ILE 53 HG12 ILE 53 -13.384 -3.838 3.558 415 HG13 ILE 53 HG11 ILE 53 -12.741 -5.150 2.576 416 HG21 ILE 53 HG21 ILE 53 -14.612 -1.917 2.257 417 HG22 ILE 53 HG22 ILE 53 -15.579 -3.207 2.973 418 HG23 ILE 53 HG23 ILE 53 -15.891 -2.688 1.317 419 HD11 ILE 53 HD11 ILE 53 -11.023 -3.525 3.058 420 HD12 ILE 53 HD12 ILE 53 -12.011 -2.240 2.361 421 HD13 ILE 53 HD13 ILE 53 -11.389 -3.530 1.332 422 H SER 54 HN SER 54 -17.291 -5.777 1.434 423 HA SER 54 HA SER 54 -18.020 -5.524 -1.315 424 HB2 SER 54 HB2 SER 54 -19.655 -5.844 1.207 425 HB3 SER 54 HB1 SER 54 -20.368 -5.784 -0.403 426 HG SER 54 HG SER 54 -18.472 -7.674 0.539 427 H LYS 55 HN LYS 55 -20.227 -4.164 -1.659 428 HA LYS 55 HA LYS 55 -19.437 -1.462 -1.624 429 HB2 LYS 55 HB2 LYS 55 -22.141 -2.717 -2.122 430 HB3 LYS 55 HB1 LYS 55 -21.777 -1.019 -2.392 431 HG2 LYS 55 HG2 LYS 55 -21.536 -1.879 -4.502 432 HG3 LYS 55 HG1 LYS 55 -19.877 -1.947 -3.911 433 HD2 LYS 55 HD2 LYS 55 -20.374 -4.021 -5.002 434 HD3 LYS 55 HD1 LYS 55 -20.274 -4.323 -3.265 435 HE2 LYS 55 HE2 LYS 55 -22.725 -4.237 -3.127 436 HE3 LYS 55 HE1 LYS 55 -22.806 -3.967 -4.867 437 HZ1 LYS 55 HZ1 LYS 55 -21.792 -6.120 -5.225 438 HZ2 LYS 55 HZ2 LYS 55 -23.188 -6.290 -4.285 439 HZ3 LYS 55 HZ3 LYS 55 -21.665 -6.378 -3.557 440 H GLN 56 HN GLN 56 -21.925 -3.188 0.247 441 HA GLN 56 HA GLN 56 -22.833 -1.026 1.757 442 HB2 GLN 56 HB2 GLN 56 -22.688 -3.944 2.527 443 HB3 GLN 56 HB1 GLN 56 -23.640 -2.727 3.366 444 HG2 GLN 56 HG2 GLN 56 -24.004 -3.598 0.508 445 HG3 GLN 56 HG1 GLN 56 -25.017 -4.060 1.874 446 HE21 GLN 56 HE21 GLN 56 -24.117 -1.498 -0.296 447 HE22 GLN 56 HE22 GLN 56 -25.437 -0.447 0.073 448 H GLU 57 HN GLU 57 -20.051 -3.114 2.203 449 HA GLU 57 HA GLU 57 -19.445 -2.187 4.845 450 HB2 GLU 57 HB2 GLU 57 -17.765 -3.667 2.812 451 HB3 GLU 57 HB1 GLU 57 -17.289 -3.374 4.478 452 HG2 GLU 57 HG2 GLU 57 -19.148 -4.700 5.278 453 HG3 GLU 57 HG1 GLU 57 -19.713 -4.940 3.625 454 H LEU 58 HN LEU 58 -18.128 -1.569 1.613 455 HA LEU 58 HA LEU 58 -16.148 0.261 2.349 456 HB2 LEU 58 HB2 LEU 58 -16.663 -0.913 0.079 457 HB3 LEU 58 HB1 LEU 58 -17.688 0.473 -0.224 458 HG LEU 58 HG LEU 58 -15.364 0.541 -1.222 459 HD11 LEU 58 HD11 LEU 58 -15.968 2.831 0.627 460 HD12 LEU 58 HD12 LEU 58 -16.857 2.518 -0.863 461 HD13 LEU 58 HD13 LEU 58 -15.133 2.876 -0.925 462 HD21 LEU 58 HD21 LEU 58 -13.526 1.185 0.206 463 HD22 LEU 58 HD22 LEU 58 -14.177 -0.369 0.728 464 HD23 LEU 58 HD23 LEU 58 -14.562 1.097 1.629 465 H GLY 59 HN GLY 59 -19.589 0.586 2.030 466 HA2 GLY 59 HA2 GLY 59 -19.774 3.386 1.715 467 HA3 GLY 59 HA1 GLY 59 -21.023 2.346 2.388 468 H THR 60 HN THR 60 -18.910 1.436 4.394 469 HA THR 60 HA THR 60 -19.548 3.428 6.396 470 HB THR 60 HB THR 60 -17.978 0.850 6.646 471 HG1 THR 60 HG1 THR 60 -20.076 0.308 7.774 472 HG21 THR 60 HG21 THR 60 -17.411 2.409 8.426 473 HG22 THR 60 HG22 THR 60 -18.403 1.097 9.063 474 HG23 THR 60 HG23 THR 60 -19.121 2.679 8.761 475 H ALA 61 HN ALA 61 -16.806 2.311 4.547 476 HA ALA 61 HA ALA 61 -14.764 3.588 6.025 477 HB1 ALA 61 HB1 ALA 61 -13.379 3.256 4.045 478 HB2 ALA 61 HB2 ALA 61 -14.815 2.875 3.095 479 HB3 ALA 61 HB3 ALA 61 -14.318 1.808 4.410 480 H MET 62 HN MET 62 -16.526 4.594 3.100 481 HA MET 62 HA MET 62 -15.255 7.055 2.740 482 HB2 MET 62 HB2 MET 62 -18.069 6.229 2.011 483 HB3 MET 62 HB1 MET 62 -17.249 7.657 1.397 484 HG2 MET 62 HG2 MET 62 -16.219 4.861 1.014 485 HG3 MET 62 HG1 MET 62 -17.273 5.682 -0.138 486 HE1 MET 62 HE1 MET 62 -15.061 8.653 -1.345 487 HE2 MET 62 HE2 MET 62 -16.268 8.663 -0.059 488 HE3 MET 62 HE3 MET 62 -16.580 7.782 -1.554 489 H ARG 63 HN ARG 63 -18.360 6.360 4.364 490 HA ARG 63 HA ARG 63 -18.925 8.986 5.131 491 HB2 ARG 63 HB2 ARG 63 -20.494 8.044 6.717 492 HB3 ARG 63 HB1 ARG 63 -20.562 7.142 5.210 493 HG2 ARG 63 HG2 ARG 63 -19.253 5.356 6.174 494 HG3 ARG 63 HG1 ARG 63 -19.056 6.274 7.667 495 HD2 ARG 63 HD2 ARG 63 -21.662 5.266 6.530 496 HD3 ARG 63 HD1 ARG 63 -20.794 4.579 7.902 497 HE ARG 63 HE ARG 63 -21.226 7.230 8.526 498 HH11 ARG 63 HH11 ARG 63 -23.186 4.445 7.784 499 HH12 ARG 63 HH12 ARG 63 -24.519 4.963 8.761 500 HH21 ARG 63 HH21 ARG 63 -22.976 7.918 9.817 501 HH22 ARG 63 HH22 ARG 63 -24.401 6.937 9.914 502 H SER 64 HN SER 64 -16.794 6.618 6.544 503 HA SER 64 HA SER 64 -16.508 7.623 9.118 504 HB2 SER 64 HB2 SER 64 -15.499 5.503 8.389 505 HB3 SER 64 HB1 SER 64 -14.366 6.389 7.369 506 HG SER 64 HG SER 64 -13.231 6.934 9.077 507 H LEU 65 HN LEU 65 -14.993 8.654 6.107 508 HA LEU 65 HA LEU 65 -13.298 10.594 7.370 509 HB2 LEU 65 HB2 LEU 65 -14.074 10.529 4.463 510 HB3 LEU 65 HB1 LEU 65 -12.619 11.198 5.176 511 HG LEU 65 HG LEU 65 -13.300 8.259 5.039 512 HD11 LEU 65 HD11 LEU 65 -11.282 9.868 3.483 513 HD12 LEU 65 HD12 LEU 65 -12.793 9.217 2.848 514 HD13 LEU 65 HD13 LEU 65 -11.521 8.124 3.390 515 HD21 LEU 65 HD21 LEU 65 -10.809 9.670 5.985 516 HD22 LEU 65 HD22 LEU 65 -10.994 7.927 5.797 517 HD23 LEU 65 HD23 LEU 65 -11.958 8.791 6.994 518 H GLY 66 HN GLY 66 -16.565 10.499 6.393 519 HA2 GLY 66 HA2 GLY 66 -17.958 12.320 7.288 520 HA3 GLY 66 HA1 GLY 66 -16.741 13.435 6.684 521 H TYR 67 HN TYR 67 -17.339 10.801 4.622 522 HA TYR 67 HA TYR 67 -19.097 12.474 2.946 523 HB2 TYR 67 HB2 TYR 67 -17.054 10.461 1.984 524 HB3 TYR 67 HB1 TYR 67 -18.033 11.525 0.981 525 HD1 TYR 67 HD2 TYR 67 -17.536 13.925 0.861 526 HD2 TYR 67 HD1 TYR 67 -15.099 11.276 3.129 527 HE1 TYR 67 HE2 TYR 67 -15.772 15.636 0.952 528 HE2 TYR 67 HE1 TYR 67 -13.328 12.979 3.227 529 HH TYR 67 HH TYR 67 -12.603 14.955 1.969 530 H MET 68 HN MET 68 -21.014 11.545 3.678 531 HA MET 68 HA MET 68 -21.423 8.729 3.796 532 HB2 MET 68 HB2 MET 68 -22.708 10.402 5.126 533 HB3 MET 68 HB1 MET 68 -23.495 10.924 3.644 534 HG2 MET 68 HG2 MET 68 -23.616 8.079 4.579 535 HG3 MET 68 HG1 MET 68 -24.747 9.301 5.158 536 HE1 MET 68 HE1 MET 68 -26.755 7.793 4.301 537 HE2 MET 68 HE2 MET 68 -25.632 6.584 3.676 538 HE3 MET 68 HE3 MET 68 -26.914 7.216 2.642 539 HA PRO 69 HA PRO 69 -22.204 8.490 -0.649 540 HB2 PRO 69 HB2 PRO 69 -21.596 5.921 -0.977 541 HB3 PRO 69 HB1 PRO 69 -20.332 7.110 -0.641 542 HG2 PRO 69 HG2 PRO 69 -21.606 5.130 1.193 543 HG3 PRO 69 HG1 PRO 69 -19.915 5.654 1.105 544 HD2 PRO 69 HD2 PRO 69 -21.828 6.598 2.911 545 HD3 PRO 69 HD1 PRO 69 -20.283 7.381 2.534 546 H ASN 70 HN ASN 70 -24.087 8.115 -1.672 547 HA ASN 70 HA ASN 70 -26.271 6.921 -0.255 548 HB2 ASN 70 HB2 ASN 70 -26.081 7.923 -3.103 549 HB3 ASN 70 HB1 ASN 70 -27.573 7.432 -2.304 550 HD21 ASN 70 HD21 ASN 70 -25.063 9.826 -2.479 551 HD22 ASN 70 HD22 ASN 70 -25.877 11.040 -1.559 552 H GLU 71 HN GLU 71 -27.750 5.391 -1.649 553 HA GLU 71 HA GLU 71 -26.448 2.913 -1.796 554 HB2 GLU 71 HB2 GLU 71 -28.548 2.099 -2.836 555 HB3 GLU 71 HB1 GLU 71 -28.825 3.041 -1.377 556 HG2 GLU 71 HG2 GLU 71 -29.439 4.971 -2.706 557 HG3 GLU 71 HG1 GLU 71 -29.093 4.081 -4.189 558 H VAL 72 HN VAL 72 -26.995 5.383 -4.191 559 HA VAL 72 HA VAL 72 -26.205 3.652 -6.386 560 HB VAL 72 HB VAL 72 -27.964 5.341 -6.746 561 HG11 VAL 72 HG11 VAL 72 -27.067 7.061 -5.226 562 HG12 VAL 72 HG12 VAL 72 -27.441 7.701 -6.825 563 HG13 VAL 72 HG13 VAL 72 -25.768 7.374 -6.376 564 HG21 VAL 72 HG21 VAL 72 -27.120 6.223 -8.852 565 HG22 VAL 72 HG22 VAL 72 -26.612 4.550 -8.630 566 HG23 VAL 72 HG23 VAL 72 -25.467 5.863 -8.355 567 H GLU 73 HN GLU 73 -24.786 5.942 -4.227 568 HA GLU 73 HA GLU 73 -22.547 6.653 -5.831 569 HB2 GLU 73 HB2 GLU 73 -22.947 6.770 -2.839 570 HB3 GLU 73 HB1 GLU 73 -21.579 7.473 -3.689 571 HG2 GLU 73 HG2 GLU 73 -24.467 8.241 -4.039 572 HG3 GLU 73 HG1 GLU 73 -23.240 9.158 -3.166 573 H LEU 74 HN LEU 74 -22.871 4.416 -3.063 574 HA LEU 74 HA LEU 74 -20.257 3.462 -3.091 575 HB2 LEU 74 HB2 LEU 74 -21.277 1.394 -2.005 576 HB3 LEU 74 HB1 LEU 74 -21.501 2.932 -1.197 577 HG LEU 74 HG LEU 74 -23.785 2.995 -2.413 578 HD11 LEU 74 HD11 LEU 74 -23.361 1.133 -3.930 579 HD12 LEU 74 HD12 LEU 74 -24.740 0.803 -2.882 580 HD13 LEU 74 HD13 LEU 74 -23.182 0.046 -2.553 581 HD21 LEU 74 HD21 LEU 74 -23.499 2.753 -0.002 582 HD22 LEU 74 HD22 LEU 74 -23.259 1.017 -0.199 583 HD23 LEU 74 HD23 LEU 74 -24.818 1.742 -0.593 584 H GLU 75 HN GLU 75 -22.691 2.990 -5.398 585 HA GLU 75 HA GLU 75 -21.697 0.438 -6.343 586 HB2 GLU 75 HB2 GLU 75 -23.801 2.327 -7.399 587 HB3 GLU 75 HB1 GLU 75 -23.348 0.838 -8.215 588 HG2 GLU 75 HG2 GLU 75 -24.467 1.032 -5.429 589 HG3 GLU 75 HG1 GLU 75 -25.372 0.584 -6.873 590 H VAL 76 HN VAL 76 -21.414 3.840 -7.178 591 HA VAL 76 HA VAL 76 -19.979 3.248 -9.625 592 HB VAL 76 HB VAL 76 -19.806 5.666 -9.927 593 HG11 VAL 76 HG11 VAL 76 -22.210 6.167 -10.106 594 HG12 VAL 76 HG12 VAL 76 -22.564 4.737 -9.138 595 HG13 VAL 76 HG13 VAL 76 -21.809 4.564 -10.721 596 HG21 VAL 76 HG21 VAL 76 -19.549 6.263 -7.546 597 HG22 VAL 76 HG22 VAL 76 -21.258 5.904 -7.295 598 HG23 VAL 76 HG23 VAL 76 -20.781 7.225 -8.361 599 H ILE 77 HN ILE 77 -19.259 4.067 -6.337 600 HA ILE 77 HA ILE 77 -16.531 4.832 -6.866 601 HB ILE 77 HB ILE 77 -17.912 4.210 -4.253 602 HG12 ILE 77 HG12 ILE 77 -17.121 6.969 -4.933 603 HG13 ILE 77 HG11 ILE 77 -18.412 6.299 -5.926 604 HG21 ILE 77 HG21 ILE 77 -16.020 5.393 -3.214 605 HG22 ILE 77 HG22 ILE 77 -15.240 5.503 -4.792 606 HG23 ILE 77 HG23 ILE 77 -15.510 3.926 -4.050 607 HD11 ILE 77 HD11 ILE 77 -19.636 5.743 -3.845 608 HD12 ILE 77 HD12 ILE 77 -19.386 7.470 -4.097 609 HD13 ILE 77 HD13 ILE 77 -18.387 6.594 -2.937 610 H ILE 78 HN ILE 78 -18.261 1.919 -6.166 611 HA ILE 78 HA ILE 78 -15.906 0.447 -5.358 612 HB ILE 78 HB ILE 78 -18.804 -0.225 -5.653 613 HG12 ILE 78 HG12 ILE 78 -17.871 0.702 -3.544 614 HG13 ILE 78 HG11 ILE 78 -18.581 -0.894 -3.338 615 HG21 ILE 78 HG21 ILE 78 -16.583 -2.254 -5.478 616 HG22 ILE 78 HG22 ILE 78 -17.801 -2.103 -6.746 617 HG23 ILE 78 HG23 ILE 78 -18.275 -2.600 -5.122 618 HD11 ILE 78 HD11 ILE 78 -16.544 -0.762 -2.087 619 HD12 ILE 78 HD12 ILE 78 -15.653 -0.230 -3.511 620 HD13 ILE 78 HD13 ILE 78 -16.308 -1.866 -3.441 621 H GLN 79 HN GLN 79 -17.619 1.093 -8.313 622 HA GLN 79 HA GLN 79 -16.601 -1.212 -9.705 623 HB2 GLN 79 HB2 GLN 79 -17.584 -0.204 -11.698 624 HB3 GLN 79 HB1 GLN 79 -18.733 -0.199 -10.368 625 HG2 GLN 79 HG2 GLN 79 -18.309 2.144 -9.964 626 HG3 GLN 79 HG1 GLN 79 -17.071 2.160 -11.219 627 HE21 GLN 79 HE21 GLN 79 -18.125 3.741 -12.400 628 HE22 GLN 79 HE22 GLN 79 -19.572 3.426 -13.287 629 H ARG 80 HN ARG 80 -15.413 1.864 -8.860 630 HA ARG 80 HA ARG 80 -13.608 2.216 -11.055 631 HB2 ARG 80 HB2 ARG 80 -13.653 3.447 -8.293 632 HB3 ARG 80 HB1 ARG 80 -12.567 3.941 -9.582 633 HG2 ARG 80 HG2 ARG 80 -15.566 4.052 -9.764 634 HG3 ARG 80 HG1 ARG 80 -14.543 5.408 -9.292 635 HD2 ARG 80 HD2 ARG 80 -14.444 3.934 -11.923 636 HD3 ARG 80 HD1 ARG 80 -15.139 5.532 -11.656 637 HE ARG 80 HE ARG 80 -12.444 5.493 -10.811 638 HH11 ARG 80 HH11 ARG 80 -14.397 5.497 -13.697 639 HH12 ARG 80 HH12 ARG 80 -13.185 6.258 -14.671 640 HH21 ARG 80 HH21 ARG 80 -10.843 6.494 -12.086 641 HH22 ARG 80 HH22 ARG 80 -11.164 6.824 -13.755 642 H LEU 81 HN LEU 81 -13.339 0.979 -7.754 643 HA LEU 81 HA LEU 81 -10.536 0.361 -8.055 644 HB2 LEU 81 HB2 LEU 81 -12.249 -0.723 -5.854 645 HB3 LEU 81 HB1 LEU 81 -10.562 -0.248 -5.810 646 HG LEU 81 HG LEU 81 -12.945 1.606 -5.895 647 HD11 LEU 81 HD11 LEU 81 -12.161 2.280 -3.672 648 HD12 LEU 81 HD12 LEU 81 -10.906 1.043 -3.748 649 HD13 LEU 81 HD13 LEU 81 -12.607 0.575 -3.728 650 HD21 LEU 81 HD21 LEU 81 -10.003 2.269 -5.814 651 HD22 LEU 81 HD22 LEU 81 -11.330 3.423 -5.683 652 HD23 LEU 81 HD23 LEU 81 -11.084 2.529 -7.184 653 H ASP 82 HN ASP 82 -13.599 -1.381 -8.022 654 HA ASP 82 HA ASP 82 -12.486 -3.988 -8.161 655 HB2 ASP 82 HB2 ASP 82 -14.783 -3.535 -7.385 656 HB3 ASP 82 HB1 ASP 82 -15.224 -3.016 -9.009 657 H MET 83 HN MET 83 -10.885 -3.779 -9.810 658 HA MET 83 HA MET 83 -11.633 -3.134 -12.504 659 HB2 MET 83 HB2 MET 83 -9.098 -4.434 -11.498 660 HB3 MET 83 HB1 MET 83 -9.334 -3.688 -13.072 661 HG2 MET 83 HG2 MET 83 -9.722 -1.523 -11.934 662 HG3 MET 83 HG1 MET 83 -9.337 -2.305 -10.400 663 HE1 MET 83 HE1 MET 83 -6.181 -0.082 -11.054 664 HE2 MET 83 HE2 MET 83 -7.443 -0.509 -9.898 665 HE3 MET 83 HE3 MET 83 -7.866 0.304 -11.405 666 H ASP 84 HN ASP 84 -10.776 -6.139 -10.798 667 HA ASP 84 HA ASP 84 -11.062 -7.795 -13.084 668 HB2 ASP 84 HB2 ASP 84 -11.022 -9.670 -11.467 669 HB3 ASP 84 HB1 ASP 84 -9.714 -8.521 -11.204 670 H GLY 85 HN GLY 85 -13.325 -6.402 -10.912 671 HA2 GLY 85 HA2 GLY 85 -15.631 -6.344 -11.098 672 HA3 GLY 85 HA1 GLY 85 -15.515 -7.458 -12.447 673 H ASP 86 HN ASP 86 -14.370 -7.901 -9.113 674 HA ASP 86 HA ASP 86 -15.859 -10.400 -9.001 675 HB2 ASP 86 HB2 ASP 86 -14.581 -10.871 -6.984 676 HB3 ASP 86 HB1 ASP 86 -13.501 -10.359 -8.275 677 H GLY 87 HN GLY 87 -16.391 -7.204 -8.154 678 HA2 GLY 87 HA2 GLY 87 -18.479 -6.503 -7.253 679 HA3 GLY 87 HA1 GLY 87 -18.580 -8.025 -6.380 680 H GLN 88 HN GLN 88 -15.759 -7.766 -5.486 681 HA GLN 88 HA GLN 88 -16.129 -5.639 -3.481 682 HB2 GLN 88 HB2 GLN 88 -14.898 -8.369 -3.082 683 HB3 GLN 88 HB1 GLN 88 -14.965 -7.100 -1.866 684 HG2 GLN 88 HG2 GLN 88 -17.399 -7.189 -1.893 685 HG3 GLN 88 HG1 GLN 88 -17.346 -8.441 -3.132 686 HE21 GLN 88 HE21 GLN 88 -16.683 -10.517 -2.579 687 HE22 GLN 88 HE22 GLN 88 -16.617 -11.053 -0.938 688 H VAL 89 HN VAL 89 -14.098 -4.849 -2.509 689 HA VAL 89 HA VAL 89 -12.047 -4.593 -4.577 690 HB VAL 89 HB VAL 89 -12.386 -3.040 -2.008 691 HG11 VAL 89 HG11 VAL 89 -10.797 -1.460 -3.040 692 HG12 VAL 89 HG12 VAL 89 -10.568 -2.593 -4.372 693 HG13 VAL 89 HG13 VAL 89 -10.080 -3.042 -2.738 694 HG21 VAL 89 HG21 VAL 89 -13.097 -2.299 -4.845 695 HG22 VAL 89 HG22 VAL 89 -13.203 -1.232 -3.443 696 HG23 VAL 89 HG23 VAL 89 -14.236 -2.660 -3.546 697 H ASP 90 HN ASP 90 -10.120 -5.529 -4.445 698 HA ASP 90 HA ASP 90 -9.451 -7.041 -2.041 699 HB2 ASP 90 HB2 ASP 90 -9.341 -8.182 -4.219 700 HB3 ASP 90 HB1 ASP 90 -8.131 -7.023 -4.763 701 H PHE 91 HN PHE 91 -7.415 -6.900 -1.011 702 HA PHE 91 HA PHE 91 -6.503 -4.394 -0.376 703 HB2 PHE 91 HB2 PHE 91 -5.918 -6.217 1.033 704 HB3 PHE 91 HB1 PHE 91 -5.097 -7.061 -0.275 705 HD1 PHE 91 HD1 PHE 91 -4.916 -3.806 1.548 706 HD2 PHE 91 HD2 PHE 91 -2.804 -7.002 -0.304 707 HE1 PHE 91 HE1 PHE 91 -2.785 -2.795 2.242 708 HE2 PHE 91 HE2 PHE 91 -0.669 -5.996 0.386 709 HZ PHE 91 HZ PHE 91 -0.658 -3.890 1.661 710 H GLU 92 HN GLU 92 -4.920 -6.649 -2.634 711 HA GLU 92 HA GLU 92 -2.778 -5.149 -3.423 712 HB2 GLU 92 HB2 GLU 92 -4.487 -6.901 -5.193 713 HB3 GLU 92 HB1 GLU 92 -2.840 -6.392 -5.543 714 HG2 GLU 92 HG2 GLU 92 -2.034 -7.603 -3.595 715 HG3 GLU 92 HG1 GLU 92 -3.684 -8.087 -3.203 716 H GLU 93 HN GLU 93 -5.885 -5.199 -5.190 717 HA GLU 93 HA GLU 93 -5.368 -3.264 -7.057 718 HB2 GLU 93 HB2 GLU 93 -7.968 -3.768 -5.607 719 HB3 GLU 93 HB1 GLU 93 -7.812 -2.845 -7.096 720 HG2 GLU 93 HG2 GLU 93 -7.062 -4.789 -8.286 721 HG3 GLU 93 HG1 GLU 93 -7.020 -5.731 -6.797 722 H PHE 94 HN PHE 94 -6.152 -2.791 -3.671 723 HA PHE 94 HA PHE 94 -6.442 0.078 -4.005 724 HB2 PHE 94 HB2 PHE 94 -7.927 -1.077 -2.457 725 HB3 PHE 94 HB1 PHE 94 -6.548 -1.662 -1.535 726 HD1 PHE 94 HD2 PHE 94 -7.841 1.613 -2.788 727 HD2 PHE 94 HD1 PHE 94 -6.135 -0.583 0.432 728 HE1 PHE 94 HE2 PHE 94 -7.945 3.621 -1.371 729 HE2 PHE 94 HE1 PHE 94 -6.239 1.421 1.858 730 HZ PHE 94 HZ PHE 94 -7.143 3.526 0.956 731 H VAL 95 HN VAL 95 -3.968 -2.174 -3.095 732 HA VAL 95 HA VAL 95 -2.383 -0.370 -1.571 733 HB VAL 95 HB VAL 95 -2.276 -2.995 -1.739 734 HG11 VAL 95 HG11 VAL 95 -0.575 -3.878 -3.132 735 HG12 VAL 95 HG12 VAL 95 -0.051 -2.270 -3.629 736 HG13 VAL 95 HG13 VAL 95 -1.607 -2.895 -4.168 737 HG21 VAL 95 HG21 VAL 95 -1.038 -1.667 -0.139 738 HG22 VAL 95 HG22 VAL 95 0.153 -1.249 -1.371 739 HG23 VAL 95 HG23 VAL 95 0.003 -2.918 -0.820 740 H THR 96 HN THR 96 -2.691 -1.022 -4.990 741 HA THR 96 HA THR 96 -0.263 0.403 -5.659 742 HB THR 96 HB THR 96 -2.448 -0.597 -7.496 743 HG1 THR 96 HG1 THR 96 -0.967 -2.348 -7.822 744 HG21 THR 96 HG21 THR 96 0.395 0.258 -8.059 745 HG22 THR 96 HG22 THR 96 -1.063 1.142 -8.511 746 HG23 THR 96 HG23 THR 96 -0.723 -0.430 -9.238 747 H LEU 97 HN LEU 97 -3.757 0.957 -5.838 748 HA LEU 97 HA LEU 97 -3.807 3.319 -7.269 749 HB2 LEU 97 HB2 LEU 97 -5.538 2.422 -4.971 750 HB3 LEU 97 HB1 LEU 97 -5.882 3.843 -5.939 751 HG LEU 97 HG LEU 97 -5.646 1.073 -7.105 752 HD11 LEU 97 HD11 LEU 97 -8.088 1.047 -7.159 753 HD12 LEU 97 HD12 LEU 97 -8.125 2.568 -6.266 754 HD13 LEU 97 HD13 LEU 97 -7.479 1.113 -5.506 755 HD21 LEU 97 HD21 LEU 97 -6.777 2.059 -9.013 756 HD22 LEU 97 HD22 LEU 97 -5.291 2.941 -8.659 757 HD23 LEU 97 HD23 LEU 97 -6.850 3.617 -8.189 758 H LEU 98 HN LEU 98 -2.845 2.798 -3.947 759 HA LEU 98 HA LEU 98 -2.540 5.702 -3.591 760 HB2 LEU 98 HB2 LEU 98 -2.344 5.237 -1.196 761 HB3 LEU 98 HB1 LEU 98 -3.851 4.635 -1.856 762 HG LEU 98 HG LEU 98 -2.486 2.375 -2.033 763 HD11 LEU 98 HD11 LEU 98 -0.950 2.103 -0.158 764 HD12 LEU 98 HD12 LEU 98 -1.114 3.813 0.235 765 HD13 LEU 98 HD13 LEU 98 -0.365 3.325 -1.285 766 HD21 LEU 98 HD21 LEU 98 -4.540 2.719 -0.760 767 HD22 LEU 98 HD22 LEU 98 -3.611 3.448 0.551 768 HD23 LEU 98 HD23 LEU 98 -3.382 1.747 0.147 769 H GLY 99 HN GLY 99 -0.792 2.942 -4.350 770 HA2 GLY 99 HA2 GLY 99 1.686 3.860 -3.105 771 HA3 GLY 99 HA1 GLY 99 1.460 2.356 -3.981 772 HA PRO 100 HA PRO 100 3.838 4.346 -7.192 773 HB2 PRO 100 HB2 PRO 100 2.621 2.285 -8.941 774 HB3 PRO 100 HB1 PRO 100 4.324 2.646 -8.642 775 HG2 PRO 100 HG2 PRO 100 3.183 0.462 -7.616 776 HG3 PRO 100 HG1 PRO 100 4.389 1.386 -6.700 777 HD2 PRO 100 HD2 PRO 100 1.408 1.358 -6.421 778 HD3 PRO 100 HD1 PRO 100 2.658 1.409 -5.160 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 48.686 -8.358 9.002 2 H2 MET 1 HT2 MET 1 48.996 -9.079 10.501 3 H3 MET 1 HT3 MET 1 47.869 -9.771 9.447 4 HA MET 1 HA MET 1 49.566 -10.304 7.869 5 HB2 MET 1 HB2 MET 1 51.961 -9.956 8.533 6 HB3 MET 1 HB1 MET 1 51.079 -8.479 8.180 7 HG2 MET 1 HG2 MET 1 51.467 -9.512 10.972 8 HG3 MET 1 HG1 MET 1 52.613 -8.434 10.181 9 HE1 MET 1 HE1 MET 1 50.672 -6.588 8.462 10 HE2 MET 1 HE2 MET 1 52.013 -5.944 9.411 11 HE3 MET 1 HE3 MET 1 50.403 -5.243 9.572 12 HA PRO 2 HA PRO 2 49.463 -13.501 11.262 13 HB2 PRO 2 HB2 PRO 2 47.516 -15.071 10.311 14 HB3 PRO 2 HB1 PRO 2 47.149 -13.603 11.225 15 HG2 PRO 2 HG2 PRO 2 47.111 -14.049 8.265 16 HG3 PRO 2 HG1 PRO 2 45.946 -13.181 9.280 17 HD2 PRO 2 HD2 PRO 2 47.911 -11.954 7.809 18 HD3 PRO 2 HD1 PRO 2 47.192 -11.261 9.275 19 H PHE 3 HN PHE 3 51.047 -14.949 11.069 20 HA PHE 3 HA PHE 3 52.079 -15.807 8.575 21 HB2 PHE 3 HB2 PHE 3 52.568 -16.788 11.391 22 HB3 PHE 3 HB1 PHE 3 53.452 -17.380 9.989 23 HD1 PHE 3 HD1 PHE 3 55.062 -15.976 8.847 24 HD2 PHE 3 HD2 PHE 3 52.943 -14.568 12.259 25 HE1 PHE 3 HE1 PHE 3 56.659 -14.117 9.067 26 HE2 PHE 3 HE2 PHE 3 54.536 -12.706 12.484 27 HZ PHE 3 HZ PHE 3 56.397 -12.479 10.887 28 H HIS 4 HN HIS 4 49.558 -16.986 10.586 29 HA HIS 4 HA HIS 4 49.582 -19.615 9.304 30 HB2 HIS 4 HB2 HIS 4 47.804 -18.561 11.514 31 HB3 HIS 4 HB1 HIS 4 47.862 -20.223 10.937 32 HD1 HIS 4 HD1 HIS 4 48.889 -18.458 13.724 33 HD2 HIS 4 HD2 HIS 4 50.896 -21.025 11.143 34 HE1 HIS 4 HE1 HIS 4 50.883 -19.285 15.013 35 HE2 HIS 4 HE2 HIS 4 52.142 -20.748 13.393 36 HA PRO 5 HA PRO 5 46.388 -18.366 6.486 37 HB2 PRO 5 HB2 PRO 5 45.572 -20.767 5.605 38 HB3 PRO 5 HB1 PRO 5 47.168 -20.122 5.202 39 HG2 PRO 5 HG2 PRO 5 46.407 -22.140 7.275 40 HG3 PRO 5 HG1 PRO 5 47.787 -22.144 6.163 41 HD2 PRO 5 HD2 PRO 5 47.940 -21.369 8.789 42 HD3 PRO 5 HD1 PRO 5 49.038 -20.790 7.521 43 H VAL 6 HN VAL 6 44.557 -17.511 7.254 44 HA VAL 6 HA VAL 6 42.648 -19.301 8.613 45 HB VAL 6 HB VAL 6 41.809 -17.328 9.849 46 HG11 VAL 6 HG11 VAL 6 43.671 -17.169 11.431 47 HG12 VAL 6 HG12 VAL 6 44.747 -17.890 10.235 48 HG13 VAL 6 HG13 VAL 6 43.413 -18.831 10.901 49 HG21 VAL 6 HG21 VAL 6 43.150 -15.282 9.914 50 HG22 VAL 6 HG22 VAL 6 42.528 -15.592 8.293 51 HG23 VAL 6 HG23 VAL 6 44.215 -15.939 8.673 52 H THR 7 HN THR 7 43.219 -17.624 5.847 53 HA THR 7 HA THR 7 40.346 -17.420 5.277 54 HB THR 7 HB THR 7 42.371 -15.331 4.450 55 HG1 THR 7 HG1 THR 7 40.266 -15.235 6.373 56 HG21 THR 7 HG21 THR 7 40.408 -14.097 3.641 57 HG22 THR 7 HG22 THR 7 39.376 -15.458 4.077 58 HG23 THR 7 HG23 THR 7 40.587 -15.641 2.809 59 H ALA 8 HN ALA 8 39.747 -18.193 3.330 60 HA ALA 8 HA ALA 8 41.745 -19.533 1.731 61 HB1 ALA 8 HB1 ALA 8 39.846 -20.429 0.483 62 HB2 ALA 8 HB2 ALA 8 38.756 -19.361 1.367 63 HB3 ALA 8 HB3 ALA 8 39.623 -20.638 2.220 64 H ALA 9 HN ALA 9 42.681 -18.749 -0.037 65 HA ALA 9 HA ALA 9 41.981 -16.143 -1.022 66 HB1 ALA 9 HB1 ALA 9 44.318 -16.867 -0.858 67 HB2 ALA 9 HB2 ALA 9 43.889 -16.409 -2.506 68 HB3 ALA 9 HB3 ALA 9 44.012 -18.113 -2.067 69 H LEU 10 HN LEU 10 40.776 -19.181 -1.603 70 HA LEU 10 HA LEU 10 40.433 -19.193 -4.402 71 HB2 LEU 10 HB2 LEU 10 38.923 -20.520 -2.161 72 HB3 LEU 10 HB1 LEU 10 38.470 -20.738 -3.839 73 HG LEU 10 HG LEU 10 39.791 -22.618 -3.115 74 HD11 LEU 10 HD11 LEU 10 40.090 -21.869 -5.418 75 HD12 LEU 10 HD12 LEU 10 41.570 -22.577 -4.774 76 HD13 LEU 10 HD13 LEU 10 41.417 -20.825 -4.911 77 HD21 LEU 10 HD21 LEU 10 40.980 -21.541 -1.272 78 HD22 LEU 10 HD22 LEU 10 41.948 -20.625 -2.427 79 HD23 LEU 10 HD23 LEU 10 42.093 -22.381 -2.351 80 H MET 11 HN MET 11 37.976 -18.511 -1.896 81 HA MET 11 HA MET 11 36.369 -17.107 -3.861 82 HB2 MET 11 HB2 MET 11 34.778 -16.831 -1.913 83 HB3 MET 11 HB1 MET 11 35.108 -18.485 -2.405 84 HG2 MET 11 HG2 MET 11 35.254 -18.688 -0.144 85 HG3 MET 11 HG1 MET 11 36.937 -18.350 -0.537 86 HE1 MET 11 HE1 MET 11 37.381 -17.653 2.054 87 HE2 MET 11 HE2 MET 11 35.697 -18.088 2.348 88 HE3 MET 11 HE3 MET 11 36.320 -16.539 2.917 89 H TYR 12 HN TYR 12 36.257 -14.974 -4.116 90 HA TYR 12 HA TYR 12 37.957 -13.300 -2.450 91 HB2 TYR 12 HB2 TYR 12 37.666 -11.601 -4.162 92 HB3 TYR 12 HB1 TYR 12 38.107 -13.133 -4.910 93 HD1 TYR 12 HD1 TYR 12 36.296 -14.506 -6.015 94 HD2 TYR 12 HD2 TYR 12 35.671 -10.492 -4.752 95 HE1 TYR 12 HE1 TYR 12 34.339 -14.352 -7.495 96 HE2 TYR 12 HE2 TYR 12 33.710 -10.328 -6.226 97 HH TYR 12 HH TYR 12 32.849 -11.420 -8.272 98 H ARG 13 HN ARG 13 34.703 -14.167 -2.623 99 HA ARG 13 HA ARG 13 34.014 -12.032 -0.759 100 HB2 ARG 13 HB2 ARG 13 31.935 -11.498 -1.929 101 HB3 ARG 13 HB1 ARG 13 33.330 -11.171 -2.948 102 HG2 ARG 13 HG2 ARG 13 32.952 -13.271 -4.140 103 HG3 ARG 13 HG1 ARG 13 31.549 -13.594 -3.121 104 HD2 ARG 13 HD2 ARG 13 31.884 -11.240 -4.978 105 HD3 ARG 13 HD1 ARG 13 30.894 -12.666 -5.289 106 HE ARG 13 HE ARG 13 30.021 -11.605 -2.886 107 HH11 ARG 13 HH11 ARG 13 30.222 -10.596 -6.217 108 HH12 ARG 13 HH12 ARG 13 28.839 -9.559 -6.120 109 HH21 ARG 13 HH21 ARG 13 28.197 -10.240 -2.752 110 HH22 ARG 13 HH22 ARG 13 27.688 -9.357 -4.154 111 H GLY 14 HN GLY 14 32.047 -12.455 0.444 112 HA2 GLY 14 HA2 GLY 14 30.722 -14.983 0.245 113 HA3 GLY 14 HA1 GLY 14 31.887 -14.958 1.561 114 H ILE 15 HN ILE 15 31.660 -13.165 3.141 115 HA ILE 15 HA ILE 15 28.856 -12.298 3.423 116 HB ILE 15 HB ILE 15 28.783 -12.783 5.702 117 HG12 ILE 15 HG12 ILE 15 30.913 -11.864 6.416 118 HG13 ILE 15 HG11 ILE 15 30.766 -13.506 7.029 119 HG21 ILE 15 HG21 ILE 15 28.614 -14.775 4.362 120 HG22 ILE 15 HG22 ILE 15 29.399 -15.138 5.899 121 HG23 ILE 15 HG23 ILE 15 30.361 -14.994 4.428 122 HD11 ILE 15 HD11 ILE 15 32.382 -12.637 4.643 123 HD12 ILE 15 HD12 ILE 15 32.218 -14.295 5.223 124 HD13 ILE 15 HD13 ILE 15 33.007 -13.083 6.232 125 H TYR 16 HN TYR 16 28.540 -10.343 4.587 126 HA TYR 16 HA TYR 16 30.856 -8.828 5.345 127 HB2 TYR 16 HB2 TYR 16 29.103 -7.893 3.061 128 HB3 TYR 16 HB1 TYR 16 30.280 -6.876 3.885 129 HD1 TYR 16 HD1 TYR 16 32.734 -7.780 3.916 130 HD2 TYR 16 HD2 TYR 16 29.752 -9.083 1.177 131 HE1 TYR 16 HE1 TYR 16 34.489 -8.601 2.404 132 HE2 TYR 16 HE2 TYR 16 31.499 -9.901 -0.345 133 HH TYR 16 HH TYR 16 34.712 -10.285 0.579 134 H THR 17 HN THR 17 30.417 -7.489 6.999 135 HA THR 17 HA THR 17 27.652 -7.310 7.901 136 HB THR 17 HB THR 17 30.157 -6.367 9.310 137 HG1 THR 17 HG1 THR 17 28.707 -8.809 9.597 138 HG21 THR 17 HG21 THR 17 27.366 -6.909 10.331 139 HG22 THR 17 HG22 THR 17 28.109 -5.322 10.137 140 HG23 THR 17 HG23 THR 17 28.753 -6.457 11.323 141 H VAL 18 HN VAL 18 26.939 -5.815 6.278 142 HA VAL 18 HA VAL 18 28.104 -3.248 5.950 143 HB VAL 18 HB VAL 18 26.028 -2.657 4.767 144 HG11 VAL 18 HG11 VAL 18 26.198 -4.325 2.981 145 HG12 VAL 18 HG12 VAL 18 27.098 -5.388 4.064 146 HG13 VAL 18 HG13 VAL 18 27.788 -3.842 3.571 147 HG21 VAL 18 HG21 VAL 18 25.073 -5.389 5.620 148 HG22 VAL 18 HG22 VAL 18 24.240 -4.303 4.507 149 HG23 VAL 18 HG23 VAL 18 24.443 -3.846 6.198 150 HA PRO 19 HA PRO 19 26.461 -1.095 9.445 151 HB2 PRO 19 HB2 PRO 19 26.328 1.435 8.484 152 HB3 PRO 19 HB1 PRO 19 27.857 0.642 8.881 153 HG2 PRO 19 HG2 PRO 19 26.543 0.999 6.213 154 HG3 PRO 19 HG1 PRO 19 28.250 1.195 6.655 155 HD2 PRO 19 HD2 PRO 19 27.301 -1.031 5.434 156 HD3 PRO 19 HD1 PRO 19 28.664 -1.067 6.571 157 H ASN 20 HN ASN 20 24.972 0.131 6.437 158 HA ASN 20 HA ASN 20 22.368 -0.724 7.060 159 HB2 ASN 20 HB2 ASN 20 21.394 1.601 7.465 160 HB3 ASN 20 HB1 ASN 20 22.269 0.872 8.808 161 HD21 ASN 20 HD21 ASN 20 22.247 3.379 6.423 162 HD22 ASN 20 HD22 ASN 20 23.580 4.279 7.055 163 H LEU 21 HN LEU 21 23.285 -1.197 4.790 164 HA LEU 21 HA LEU 21 22.926 1.010 2.924 165 HB2 LEU 21 HB2 LEU 21 24.062 -1.740 2.759 166 HB3 LEU 21 HB1 LEU 21 23.460 -1.005 1.287 167 HG LEU 21 HG LEU 21 25.876 -0.695 1.540 168 HD11 LEU 21 HD11 LEU 21 24.567 0.970 0.322 169 HD12 LEU 21 HD12 LEU 21 25.943 1.707 1.144 170 HD13 LEU 21 HD13 LEU 21 24.322 1.872 1.817 171 HD21 LEU 21 HD21 LEU 21 26.764 0.756 3.291 172 HD22 LEU 21 HD22 LEU 21 25.989 -0.672 3.979 173 HD23 LEU 21 HD23 LEU 21 25.158 0.882 4.008 174 H LEU 22 HN LEU 22 20.776 -0.650 4.483 175 HA LEU 22 HA LEU 22 19.158 -1.495 2.200 176 HB2 LEU 22 HB2 LEU 22 17.740 -2.621 3.735 177 HB3 LEU 22 HB1 LEU 22 19.390 -2.979 4.202 178 HG LEU 22 HG LEU 22 17.735 -0.854 5.559 179 HD11 LEU 22 HD11 LEU 22 16.604 -2.993 5.801 180 HD12 LEU 22 HD12 LEU 22 17.331 -2.494 7.328 181 HD13 LEU 22 HD13 LEU 22 18.105 -3.739 6.349 182 HD21 LEU 22 HD21 LEU 22 19.382 -1.219 7.377 183 HD22 LEU 22 HD22 LEU 22 20.105 -0.594 5.896 184 HD23 LEU 22 HD23 LEU 22 20.274 -2.300 6.308 185 H SER 23 HN SER 23 19.223 0.856 4.808 186 HA SER 23 HA SER 23 16.798 2.104 3.699 187 HB2 SER 23 HB2 SER 23 18.024 2.401 6.452 188 HB3 SER 23 HB1 SER 23 16.573 3.229 5.890 189 HG SER 23 HG SER 23 16.010 0.808 5.393 190 H GLU 24 HN GLU 24 19.823 2.328 3.039 191 HA GLU 24 HA GLU 24 19.844 5.269 2.976 192 HB2 GLU 24 HB2 GLU 24 21.418 4.356 4.699 193 HB3 GLU 24 HB1 GLU 24 22.286 3.540 3.407 194 HG2 GLU 24 HG2 GLU 24 23.378 5.614 4.080 195 HG3 GLU 24 HG1 GLU 24 22.851 5.668 2.400 196 H GLN 25 HN GLN 25 19.636 2.569 1.186 197 HA GLN 25 HA GLN 25 21.493 3.200 -0.911 198 HB2 GLN 25 HB2 GLN 25 20.750 0.876 -0.385 199 HB3 GLN 25 HB1 GLN 25 19.155 1.295 -0.995 200 HG2 GLN 25 HG2 GLN 25 20.272 0.150 -2.727 201 HG3 GLN 25 HG1 GLN 25 20.241 1.852 -3.181 202 HE21 GLN 25 HE21 GLN 25 22.016 -0.280 -4.061 203 HE22 GLN 25 HE22 GLN 25 23.620 0.240 -3.682 204 H ARG 26 HN ARG 26 18.280 2.420 -1.874 205 HA ARG 26 HA ARG 26 18.165 4.624 -3.672 206 HB2 ARG 26 HB2 ARG 26 16.021 2.656 -2.852 207 HB3 ARG 26 HB1 ARG 26 15.894 3.786 -4.194 208 HG2 ARG 26 HG2 ARG 26 17.814 2.689 -5.272 209 HG3 ARG 26 HG1 ARG 26 17.870 1.528 -3.944 210 HD2 ARG 26 HD2 ARG 26 16.693 0.574 -5.835 211 HD3 ARG 26 HD1 ARG 26 15.580 0.821 -4.489 212 HE ARG 26 HE ARG 26 15.604 3.027 -6.306 213 HH11 ARG 26 HH11 ARG 26 14.302 -0.164 -5.768 214 HH12 ARG 26 HH12 ARG 26 12.895 0.111 -6.740 215 HH21 ARG 26 HH21 ARG 26 13.755 3.392 -7.583 216 HH22 ARG 26 HH22 ARG 26 12.583 2.130 -7.770 217 HA PRO 27 HA PRO 27 16.305 7.576 -0.914 218 HB2 PRO 27 HB2 PRO 27 15.486 9.412 -2.708 219 HB3 PRO 27 HB1 PRO 27 17.197 9.165 -2.334 220 HG2 PRO 27 HG2 PRO 27 15.598 8.135 -4.648 221 HG3 PRO 27 HG1 PRO 27 17.222 8.848 -4.641 222 HD2 PRO 27 HD2 PRO 27 16.783 6.165 -4.734 223 HD3 PRO 27 HD1 PRO 27 18.217 6.884 -3.974 224 H VAL 28 HN VAL 28 14.646 5.464 -2.761 225 HA VAL 28 HA VAL 28 12.065 6.459 -1.781 226 HB VAL 28 HB VAL 28 11.067 5.447 -3.933 227 HG11 VAL 28 HG11 VAL 28 11.003 7.824 -3.381 228 HG12 VAL 28 HG12 VAL 28 11.282 7.586 -5.106 229 HG13 VAL 28 HG13 VAL 28 12.622 8.032 -4.050 230 HG21 VAL 28 HG21 VAL 28 13.896 5.958 -4.853 231 HG22 VAL 28 HG22 VAL 28 12.525 5.610 -5.907 232 HG23 VAL 28 HG23 VAL 28 13.093 4.390 -4.766 233 H ASP 29 HN ASP 29 11.786 4.984 -0.194 234 HA ASP 29 HA ASP 29 10.809 2.440 -0.782 235 HB2 ASP 29 HB2 ASP 29 13.128 1.878 -1.343 236 HB3 ASP 29 HB1 ASP 29 13.655 2.418 0.248 237 H ILE 30 HN ILE 30 9.247 2.969 0.701 238 HA ILE 30 HA ILE 30 9.985 3.723 3.402 239 HB ILE 30 HB ILE 30 7.225 3.149 2.321 240 HG12 ILE 30 HG12 ILE 30 8.272 4.912 0.995 241 HG13 ILE 30 HG11 ILE 30 7.014 5.589 2.025 242 HG21 ILE 30 HG21 ILE 30 8.161 4.676 4.747 243 HG22 ILE 30 HG22 ILE 30 7.337 3.117 4.738 244 HG23 ILE 30 HG23 ILE 30 6.489 4.565 4.196 245 HD11 ILE 30 HD11 ILE 30 8.978 7.017 1.958 246 HD12 ILE 30 HD12 ILE 30 9.975 5.694 2.559 247 HD13 ILE 30 HD13 ILE 30 8.714 6.383 3.581 248 HA PRO 31 HA PRO 31 10.130 -0.483 4.890 249 HB2 PRO 31 HB2 PRO 31 9.689 0.084 7.549 250 HB3 PRO 31 HB1 PRO 31 11.260 0.204 6.749 251 HG2 PRO 31 HG2 PRO 31 9.278 2.357 7.365 252 HG3 PRO 31 HG1 PRO 31 11.045 2.387 7.505 253 HD2 PRO 31 HD2 PRO 31 9.786 3.549 5.444 254 HD3 PRO 31 HD1 PRO 31 11.346 2.728 5.231 255 H GLU 32 HN GLU 32 8.725 -2.082 5.478 256 HA GLU 32 HA GLU 32 6.042 -1.872 4.927 257 HB2 GLU 32 HB2 GLU 32 7.302 -3.993 5.065 258 HB3 GLU 32 HB1 GLU 32 7.329 -3.849 6.817 259 HG2 GLU 32 HG2 GLU 32 4.882 -3.975 6.856 260 HG3 GLU 32 HG1 GLU 32 4.873 -4.154 5.101 261 H ASP 33 HN ASP 33 7.633 -0.826 7.762 262 HA ASP 33 HA ASP 33 5.693 -1.139 9.728 263 HB2 ASP 33 HB2 ASP 33 7.981 -0.324 10.161 264 HB3 ASP 33 HB1 ASP 33 7.585 1.195 9.364 265 H GLU 34 HN GLU 34 5.879 1.155 7.094 266 HA GLU 34 HA GLU 34 3.636 2.700 8.096 267 HB2 GLU 34 HB2 GLU 34 5.056 4.189 7.132 268 HB3 GLU 34 HB1 GLU 34 5.731 2.998 6.035 269 HG2 GLU 34 HG2 GLU 34 4.694 4.434 4.602 270 HG3 GLU 34 HG1 GLU 34 3.458 3.204 4.814 271 H LEU 35 HN LEU 35 4.251 0.056 6.013 272 HA LEU 35 HA LEU 35 2.064 0.374 4.226 273 HB2 LEU 35 HB2 LEU 35 4.104 -1.093 3.891 274 HB3 LEU 35 HB1 LEU 35 3.356 -2.234 4.993 275 HG LEU 35 HG LEU 35 1.325 -1.996 3.305 276 HD11 LEU 35 HD11 LEU 35 2.086 -1.753 1.012 277 HD12 LEU 35 HD12 LEU 35 3.721 -1.413 1.576 278 HD13 LEU 35 HD13 LEU 35 2.414 -0.288 1.938 279 HD21 LEU 35 HD21 LEU 35 2.494 -4.067 3.880 280 HD22 LEU 35 HD22 LEU 35 3.768 -3.665 2.729 281 HD23 LEU 35 HD23 LEU 35 2.130 -3.978 2.158 282 H GLU 36 HN GLU 36 2.471 -1.272 7.321 283 HA GLU 36 HA GLU 36 0.083 -2.713 7.368 284 HB2 GLU 36 HB2 GLU 36 0.304 -2.690 9.820 285 HB3 GLU 36 HB1 GLU 36 1.828 -3.064 9.029 286 HG2 GLU 36 HG2 GLU 36 2.605 -0.804 9.391 287 HG3 GLU 36 HG1 GLU 36 1.056 -0.363 10.107 288 H GLU 37 HN GLU 37 0.702 0.672 7.832 289 HA GLU 37 HA GLU 37 -1.674 1.381 9.170 290 HB2 GLU 37 HB2 GLU 37 0.019 3.019 7.274 291 HB3 GLU 37 HB1 GLU 37 -1.212 3.664 8.351 292 HG2 GLU 37 HG2 GLU 37 1.304 2.246 9.198 293 HG3 GLU 37 HG1 GLU 37 1.028 3.985 9.248 294 H ILE 38 HN ILE 38 -0.907 0.850 5.798 295 HA ILE 38 HA ILE 38 -3.189 2.001 4.630 296 HB ILE 38 HB ILE 38 -1.765 -0.445 3.577 297 HG12 ILE 38 HG12 ILE 38 -0.966 2.463 3.284 298 HG13 ILE 38 HG11 ILE 38 -0.100 1.247 4.217 299 HG21 ILE 38 HG21 ILE 38 -2.392 0.461 1.400 300 HG22 ILE 38 HG22 ILE 38 -3.167 1.838 2.185 301 HG23 ILE 38 HG23 ILE 38 -3.814 0.212 2.413 302 HD11 ILE 38 HD11 ILE 38 0.329 -0.004 2.148 303 HD12 ILE 38 HD12 ILE 38 1.001 1.625 2.108 304 HD13 ILE 38 HD13 ILE 38 -0.487 1.264 1.234 305 H ARG 39 HN ARG 39 -2.520 -1.330 5.643 306 HA ARG 39 HA ARG 39 -5.019 -2.413 4.945 307 HB2 ARG 39 HB2 ARG 39 -3.070 -3.305 7.078 308 HB3 ARG 39 HB1 ARG 39 -4.401 -4.269 6.449 309 HG2 ARG 39 HG2 ARG 39 -3.349 -4.697 4.479 310 HG3 ARG 39 HG1 ARG 39 -2.438 -3.187 4.511 311 HD2 ARG 39 HD2 ARG 39 -0.897 -4.979 4.855 312 HD3 ARG 39 HD1 ARG 39 -1.089 -4.127 6.386 313 HE ARG 39 HE ARG 39 -2.782 -6.452 6.004 314 HH11 ARG 39 HH11 ARG 39 0.165 -5.148 7.332 315 HH12 ARG 39 HH12 ARG 39 0.378 -6.441 8.465 316 HH21 ARG 39 HH21 ARG 39 -2.510 -8.157 7.494 317 HH22 ARG 39 HH22 ARG 39 -1.142 -8.150 8.557 318 H GLU 40 HN GLU 40 -3.800 -1.629 8.209 319 HA GLU 40 HA GLU 40 -5.972 -2.058 9.734 320 HB2 GLU 40 HB2 GLU 40 -4.126 0.327 9.882 321 HB3 GLU 40 HB1 GLU 40 -5.244 -0.136 11.157 322 HG2 GLU 40 HG2 GLU 40 -4.099 -2.246 11.444 323 HG3 GLU 40 HG1 GLU 40 -3.019 -1.868 10.105 324 H ALA 41 HN ALA 41 -5.662 0.528 7.400 325 HA ALA 41 HA ALA 41 -7.847 2.075 8.350 326 HB1 ALA 41 HB1 ALA 41 -6.080 3.026 6.962 327 HB2 ALA 41 HB2 ALA 41 -7.672 3.280 6.248 328 HB3 ALA 41 HB3 ALA 41 -6.606 2.029 5.606 329 H PHE 42 HN PHE 42 -7.788 0.628 5.095 330 HA PHE 42 HA PHE 42 -10.642 0.437 5.107 331 HB2 PHE 42 HB2 PHE 42 -8.483 -0.150 3.133 332 HB3 PHE 42 HB1 PHE 42 -10.098 -0.787 2.850 333 HD1 PHE 42 HD1 PHE 42 -8.523 2.438 3.890 334 HD2 PHE 42 HD2 PHE 42 -11.475 0.478 1.532 335 HE1 PHE 42 HE1 PHE 42 -9.218 4.608 2.962 336 HE2 PHE 42 HE2 PHE 42 -12.173 2.645 0.599 337 HZ PHE 42 HZ PHE 42 -11.047 4.714 1.314 338 H LYS 43 HN LYS 43 -8.057 -1.795 5.739 339 HA LYS 43 HA LYS 43 -9.458 -4.185 5.257 340 HB2 LYS 43 HB2 LYS 43 -6.889 -3.635 5.863 341 HB3 LYS 43 HB1 LYS 43 -7.449 -4.200 7.431 342 HG2 LYS 43 HG2 LYS 43 -6.473 -6.012 6.146 343 HG3 LYS 43 HG1 LYS 43 -8.192 -6.293 6.424 344 HD2 LYS 43 HD2 LYS 43 -7.553 -6.855 4.127 345 HD3 LYS 43 HD1 LYS 43 -8.698 -5.515 4.167 346 HE2 LYS 43 HE2 LYS 43 -6.815 -3.936 3.915 347 HE3 LYS 43 HE1 LYS 43 -5.709 -5.308 3.802 348 HZ1 LYS 43 HZ1 LYS 43 -6.359 -4.398 1.625 349 HZ2 LYS 43 HZ2 LYS 43 -7.967 -4.817 1.939 350 HZ3 LYS 43 HZ3 LYS 43 -6.792 -6.024 1.804 351 H VAL 44 HN VAL 44 -9.225 -2.168 8.204 352 HA VAL 44 HA VAL 44 -10.602 -4.060 9.825 353 HB VAL 44 HB VAL 44 -10.936 -2.284 11.447 354 HG11 VAL 44 HG11 VAL 44 -8.565 -1.662 11.795 355 HG12 VAL 44 HG12 VAL 44 -8.200 -2.297 10.191 356 HG13 VAL 44 HG13 VAL 44 -8.800 -3.376 11.450 357 HG21 VAL 44 HG21 VAL 44 -9.874 -0.448 9.308 358 HG22 VAL 44 HG22 VAL 44 -10.132 0.001 10.993 359 HG23 VAL 44 HG23 VAL 44 -11.504 -0.451 9.980 360 H PHE 45 HN PHE 45 -11.675 -1.446 7.710 361 HA PHE 45 HA PHE 45 -14.328 -1.289 8.614 362 HB2 PHE 45 HB2 PHE 45 -13.134 -0.798 5.881 363 HB3 PHE 45 HB1 PHE 45 -14.841 -0.550 6.224 364 HD1 PHE 45 HD1 PHE 45 -15.105 0.805 8.626 365 HD2 PHE 45 HD2 PHE 45 -11.930 1.147 5.816 366 HE1 PHE 45 HE1 PHE 45 -14.618 3.069 9.457 367 HE2 PHE 45 HE2 PHE 45 -11.434 3.410 6.643 368 HZ PHE 45 HZ PHE 45 -12.780 4.374 8.466 369 H ASP 46 HN ASP 46 -12.687 -3.794 6.999 370 HA ASP 46 HA ASP 46 -14.995 -5.028 5.809 371 HB2 ASP 46 HB2 ASP 46 -12.790 -5.427 4.850 372 HB3 ASP 46 HB1 ASP 46 -12.215 -6.090 6.375 373 H ARG 47 HN ARG 47 -16.522 -5.358 7.377 374 HA ARG 47 HA ARG 47 -16.122 -6.250 9.975 375 HB2 ARG 47 HB2 ARG 47 -18.541 -6.872 8.282 376 HB3 ARG 47 HB1 ARG 47 -18.471 -6.739 10.034 377 HG2 ARG 47 HG2 ARG 47 -17.843 -4.331 9.737 378 HG3 ARG 47 HG1 ARG 47 -18.182 -4.531 8.017 379 HD2 ARG 47 HD2 ARG 47 -20.122 -4.936 10.288 380 HD3 ARG 47 HD1 ARG 47 -20.115 -3.598 9.139 381 HE ARG 47 HE ARG 47 -20.298 -6.058 7.763 382 HH11 ARG 47 HH11 ARG 47 -22.182 -3.912 9.759 383 HH12 ARG 47 HH12 ARG 47 -23.697 -4.397 9.073 384 HH21 ARG 47 HH21 ARG 47 -22.286 -6.701 6.854 385 HH22 ARG 47 HH22 ARG 47 -23.756 -5.981 7.421 386 H ASP 48 HN ASP 48 -16.481 -8.103 6.998 387 HA ASP 48 HA ASP 48 -16.619 -10.627 8.353 388 HB2 ASP 48 HB2 ASP 48 -15.991 -10.084 5.445 389 HB3 ASP 48 HB1 ASP 48 -16.525 -11.612 6.138 390 H GLY 49 HN GLY 49 -14.106 -8.527 7.357 391 HA2 GLY 49 HA2 GLY 49 -11.820 -8.685 7.424 392 HA3 GLY 49 HA1 GLY 49 -12.075 -9.906 8.660 393 H ASN 50 HN ASN 50 -13.447 -10.530 5.572 394 HA ASN 50 HA ASN 50 -11.841 -12.865 5.240 395 HB2 ASN 50 HB2 ASN 50 -13.087 -12.943 2.982 396 HB3 ASN 50 HB1 ASN 50 -14.034 -13.099 4.457 397 HD21 ASN 50 HD21 ASN 50 -15.900 -12.402 3.427 398 HD22 ASN 50 HD22 ASN 50 -16.150 -10.748 2.997 399 H GLY 51 HN GLY 51 -11.127 -9.712 4.686 400 HA2 GLY 51 HA2 GLY 51 -9.038 -9.022 3.800 401 HA3 GLY 51 HA1 GLY 51 -9.025 -10.455 2.785 402 H PHE 52 HN PHE 52 -12.048 -9.419 2.434 403 HA PHE 52 HA PHE 52 -11.386 -7.518 0.283 404 HB2 PHE 52 HB2 PHE 52 -13.680 -9.437 0.024 405 HB3 PHE 52 HB1 PHE 52 -12.793 -8.590 -1.239 406 HD1 PHE 52 HD2 PHE 52 -10.421 -9.312 -1.733 407 HD2 PHE 52 HD1 PHE 52 -13.089 -11.602 0.665 408 HE1 PHE 52 HE2 PHE 52 -9.018 -11.303 -2.080 409 HE2 PHE 52 HE1 PHE 52 -11.690 -13.596 0.326 410 HZ PHE 52 HZ PHE 52 -9.651 -13.450 -1.049 411 H ILE 53 HN ILE 53 -12.823 -5.837 -0.057 412 HA ILE 53 HA ILE 53 -14.814 -5.467 2.078 413 HB ILE 53 HB ILE 53 -13.455 -3.368 0.381 414 HG12 ILE 53 HG12 ILE 53 -13.067 -3.764 3.339 415 HG13 ILE 53 HG11 ILE 53 -12.099 -4.668 2.176 416 HG21 ILE 53 HG21 ILE 53 -15.312 -3.093 2.740 417 HG22 ILE 53 HG22 ILE 53 -15.685 -2.692 1.064 418 HG23 ILE 53 HG23 ILE 53 -14.466 -1.768 1.943 419 HD11 ILE 53 HD11 ILE 53 -10.920 -2.700 2.928 420 HD12 ILE 53 HD12 ILE 53 -12.259 -1.674 2.415 421 HD13 ILE 53 HD13 ILE 53 -11.314 -2.558 1.215 422 H SER 54 HN SER 54 -16.888 -5.504 1.546 423 HA SER 54 HA SER 54 -17.675 -5.560 -1.246 424 HB2 SER 54 HB2 SER 54 -18.665 -7.163 0.358 425 HB3 SER 54 HB1 SER 54 -19.368 -5.818 1.254 426 HG SER 54 HG SER 54 -19.888 -6.272 -1.491 427 H LYS 55 HN LYS 55 -19.966 -4.351 -1.586 428 HA LYS 55 HA LYS 55 -19.356 -1.606 -1.609 429 HB2 LYS 55 HB2 LYS 55 -21.964 -3.066 -2.041 430 HB3 LYS 55 HB1 LYS 55 -21.772 -1.337 -2.279 431 HG2 LYS 55 HG2 LYS 55 -21.506 -2.108 -4.414 432 HG3 LYS 55 HG1 LYS 55 -19.832 -2.058 -3.866 433 HD2 LYS 55 HD2 LYS 55 -20.139 -4.136 -4.978 434 HD3 LYS 55 HD1 LYS 55 -20.067 -4.484 -3.250 435 HE2 LYS 55 HE2 LYS 55 -22.497 -4.620 -3.163 436 HE3 LYS 55 HE1 LYS 55 -22.595 -4.214 -4.875 437 HZ1 LYS 55 HZ1 LYS 55 -22.816 -6.586 -4.532 438 HZ2 LYS 55 HZ2 LYS 55 -21.327 -6.647 -3.737 439 HZ3 LYS 55 HZ3 LYS 55 -21.390 -6.255 -5.381 440 H GLN 56 HN GLN 56 -21.679 -3.442 0.365 441 HA GLN 56 HA GLN 56 -22.695 -1.297 1.830 442 HB2 GLN 56 HB2 GLN 56 -22.363 -4.163 2.726 443 HB3 GLN 56 HB1 GLN 56 -23.425 -2.973 3.466 444 HG2 GLN 56 HG2 GLN 56 -23.645 -4.022 0.653 445 HG3 GLN 56 HG1 GLN 56 -24.649 -4.501 2.019 446 HE21 GLN 56 HE21 GLN 56 -25.386 -3.278 -0.535 447 HE22 GLN 56 HE22 GLN 56 -26.225 -1.820 -0.140 448 H GLU 57 HN GLU 57 -19.813 -3.259 2.368 449 HA GLU 57 HA GLU 57 -19.264 -2.177 4.959 450 HB2 GLU 57 HB2 GLU 57 -17.457 -3.641 3.027 451 HB3 GLU 57 HB1 GLU 57 -17.088 -3.310 4.714 452 HG2 GLU 57 HG2 GLU 57 -18.868 -4.729 5.449 453 HG3 GLU 57 HG1 GLU 57 -19.443 -4.940 3.796 454 H LEU 58 HN LEU 58 -17.977 -1.612 1.703 455 HA LEU 58 HA LEU 58 -16.060 0.307 2.380 456 HB2 LEU 58 HB2 LEU 58 -16.435 -0.917 0.161 457 HB3 LEU 58 HB1 LEU 58 -17.656 0.288 -0.182 458 HG LEU 58 HG LEU 58 -15.365 0.631 -1.225 459 HD11 LEU 58 HD11 LEU 58 -16.257 2.940 0.468 460 HD12 LEU 58 HD12 LEU 58 -17.172 2.373 -0.927 461 HD13 LEU 58 HD13 LEU 58 -15.525 2.970 -1.135 462 HD21 LEU 58 HD21 LEU 58 -13.648 1.655 0.136 463 HD22 LEU 58 HD22 LEU 58 -14.040 0.052 0.757 464 HD23 LEU 58 HD23 LEU 58 -14.655 1.490 1.574 465 H GLY 59 HN GLY 59 -19.510 0.483 2.126 466 HA2 GLY 59 HA2 GLY 59 -19.803 3.274 1.745 467 HA3 GLY 59 HA1 GLY 59 -21.010 2.199 2.440 468 H THR 60 HN THR 60 -18.809 1.415 4.431 469 HA THR 60 HA THR 60 -19.481 3.469 6.385 470 HB THR 60 HB THR 60 -17.964 0.880 6.796 471 HG1 THR 60 HG1 THR 60 -19.887 -0.043 7.226 472 HG21 THR 60 HG21 THR 60 -18.575 1.208 9.164 473 HG22 THR 60 HG22 THR 60 -19.284 2.769 8.751 474 HG23 THR 60 HG23 THR 60 -17.551 2.510 8.556 475 H ALA 61 HN ALA 61 -16.874 2.413 4.414 476 HA ALA 61 HA ALA 61 -14.758 3.596 5.937 477 HB1 ALA 61 HB1 ALA 61 -14.356 1.749 4.380 478 HB2 ALA 61 HB2 ALA 61 -13.374 3.159 3.982 479 HB3 ALA 61 HB3 ALA 61 -14.812 2.790 3.032 480 H MET 62 HN MET 62 -16.580 4.557 3.041 481 HA MET 62 HA MET 62 -15.223 6.984 2.600 482 HB2 MET 62 HB2 MET 62 -18.013 6.126 1.823 483 HB3 MET 62 HB1 MET 62 -17.229 7.586 1.238 484 HG2 MET 62 HG2 MET 62 -16.197 4.792 0.822 485 HG3 MET 62 HG1 MET 62 -17.121 5.719 -0.358 486 HE1 MET 62 HE1 MET 62 -15.969 8.647 0.065 487 HE2 MET 62 HE2 MET 62 -16.228 7.934 -1.527 488 HE3 MET 62 HE3 MET 62 -14.679 8.684 -1.137 489 H ARG 63 HN ARG 63 -18.164 6.237 4.450 490 HA ARG 63 HA ARG 63 -18.910 8.874 5.025 491 HB2 ARG 63 HB2 ARG 63 -20.284 7.986 6.769 492 HB3 ARG 63 HB1 ARG 63 -20.306 6.834 5.442 493 HG2 ARG 63 HG2 ARG 63 -18.776 5.391 6.597 494 HG3 ARG 63 HG1 ARG 63 -18.565 6.580 7.884 495 HD2 ARG 63 HD2 ARG 63 -21.070 5.052 7.199 496 HD3 ARG 63 HD1 ARG 63 -20.078 4.880 8.646 497 HE ARG 63 HE ARG 63 -21.400 7.439 8.092 498 HH11 ARG 63 HH11 ARG 63 -21.019 4.602 10.081 499 HH12 ARG 63 HH12 ARG 63 -21.961 5.237 11.389 500 HH21 ARG 63 HH21 ARG 63 -22.640 8.280 9.809 501 HH22 ARG 63 HH22 ARG 63 -22.881 7.326 11.235 502 H SER 64 HN SER 64 -16.351 6.928 6.242 503 HA SER 64 HA SER 64 -15.915 8.393 8.663 504 HB2 SER 64 HB2 SER 64 -15.147 6.064 8.406 505 HB3 SER 64 HB1 SER 64 -14.035 6.575 7.137 506 HG SER 64 HG SER 64 -13.865 6.890 9.884 507 H LEU 65 HN LEU 65 -15.859 9.570 5.753 508 HA LEU 65 HA LEU 65 -13.422 11.176 6.159 509 HB2 LEU 65 HB2 LEU 65 -14.728 10.666 3.492 510 HB3 LEU 65 HB1 LEU 65 -13.159 11.386 3.798 511 HG LEU 65 HG LEU 65 -13.891 8.495 4.269 512 HD11 LEU 65 HD11 LEU 65 -12.152 9.780 2.171 513 HD12 LEU 65 HD12 LEU 65 -13.740 9.064 1.906 514 HD13 LEU 65 HD13 LEU 65 -12.386 8.047 2.400 515 HD21 LEU 65 HD21 LEU 65 -12.232 9.263 5.875 516 HD22 LEU 65 HD22 LEU 65 -11.252 9.928 4.568 517 HD23 LEU 65 HD23 LEU 65 -11.494 8.185 4.688 518 H GLY 66 HN GLY 66 -16.816 11.087 5.677 519 HA2 GLY 66 HA2 GLY 66 -18.002 13.089 6.529 520 HA3 GLY 66 HA1 GLY 66 -16.876 14.040 5.572 521 H TYR 67 HN TYR 67 -17.951 11.104 4.180 522 HA TYR 67 HA TYR 67 -20.017 12.494 2.615 523 HB2 TYR 67 HB2 TYR 67 -18.047 10.577 1.369 524 HB3 TYR 67 HB1 TYR 67 -19.189 11.638 0.553 525 HD1 TYR 67 HD2 TYR 67 -18.809 14.166 0.765 526 HD2 TYR 67 HD1 TYR 67 -15.852 11.275 1.765 527 HE1 TYR 67 HE2 TYR 67 -17.066 15.888 0.563 528 HE2 TYR 67 HE1 TYR 67 -14.100 12.989 1.565 529 HH TYR 67 HH TYR 67 -14.776 16.299 1.403 530 H MET 68 HN MET 68 -21.875 11.443 2.911 531 HA MET 68 HA MET 68 -21.811 8.576 3.520 532 HB2 MET 68 HB2 MET 68 -23.940 10.678 3.907 533 HB3 MET 68 HB1 MET 68 -24.223 8.963 4.173 534 HG2 MET 68 HG2 MET 68 -23.783 9.993 6.274 535 HG3 MET 68 HG1 MET 68 -22.407 8.975 5.858 536 HE1 MET 68 HE1 MET 68 -22.416 13.581 5.527 537 HE2 MET 68 HE2 MET 68 -23.776 12.637 6.137 538 HE3 MET 68 HE3 MET 68 -23.327 12.539 4.434 539 HA PRO 69 HA PRO 69 -23.309 8.267 -0.771 540 HB2 PRO 69 HB2 PRO 69 -22.412 5.779 -1.242 541 HB3 PRO 69 HB1 PRO 69 -21.329 7.175 -1.261 542 HG2 PRO 69 HG2 PRO 69 -21.766 5.144 0.892 543 HG3 PRO 69 HG1 PRO 69 -20.248 5.859 0.317 544 HD2 PRO 69 HD2 PRO 69 -21.571 6.680 2.576 545 HD3 PRO 69 HD1 PRO 69 -20.490 7.717 1.627 546 H ASN 70 HN ASN 70 -25.069 7.198 -1.676 547 HA ASN 70 HA ASN 70 -26.711 5.709 0.233 548 HB2 ASN 70 HB2 ASN 70 -28.564 6.171 -1.393 549 HB3 ASN 70 HB1 ASN 70 -27.840 7.608 -0.679 550 HD21 ASN 70 HD21 ASN 70 -28.153 9.079 -2.216 551 HD22 ASN 70 HD22 ASN 70 -27.569 8.954 -3.834 552 H GLU 71 HN GLU 71 -28.403 4.350 -1.392 553 HA GLU 71 HA GLU 71 -27.096 1.953 -1.846 554 HB2 GLU 71 HB2 GLU 71 -29.143 1.296 -3.110 555 HB3 GLU 71 HB1 GLU 71 -29.466 2.000 -1.531 556 HG2 GLU 71 HG2 GLU 71 -30.062 4.108 -2.549 557 HG3 GLU 71 HG1 GLU 71 -29.640 3.483 -4.144 558 H VAL 72 HN VAL 72 -27.921 4.470 -4.235 559 HA VAL 72 HA VAL 72 -26.781 2.904 -6.381 560 HB VAL 72 HB VAL 72 -28.762 4.390 -6.710 561 HG11 VAL 72 HG11 VAL 72 -28.075 6.299 -5.398 562 HG12 VAL 72 HG12 VAL 72 -28.356 6.791 -7.067 563 HG13 VAL 72 HG13 VAL 72 -26.708 6.585 -6.475 564 HG21 VAL 72 HG21 VAL 72 -27.481 3.577 -8.607 565 HG22 VAL 72 HG22 VAL 72 -26.363 4.932 -8.458 566 HG23 VAL 72 HG23 VAL 72 -28.044 5.221 -8.907 567 H GLU 73 HN GLU 73 -25.625 5.222 -4.139 568 HA GLU 73 HA GLU 73 -23.527 6.297 -5.747 569 HB2 GLU 73 HB2 GLU 73 -24.161 6.344 -2.820 570 HB3 GLU 73 HB1 GLU 73 -22.607 6.929 -3.395 571 HG2 GLU 73 HG2 GLU 73 -25.286 7.952 -4.307 572 HG3 GLU 73 HG1 GLU 73 -24.260 8.721 -3.098 573 H LEU 74 HN LEU 74 -23.467 3.989 -3.015 574 HA LEU 74 HA LEU 74 -20.762 3.383 -3.135 575 HB2 LEU 74 HB2 LEU 74 -21.449 1.184 -2.061 576 HB3 LEU 74 HB1 LEU 74 -21.882 2.662 -1.225 577 HG LEU 74 HG LEU 74 -24.182 2.415 -2.322 578 HD11 LEU 74 HD11 LEU 74 -23.639 0.789 -4.014 579 HD12 LEU 74 HD12 LEU 74 -24.802 0.093 -2.886 580 HD13 LEU 74 HD13 LEU 74 -23.101 -0.357 -2.788 581 HD21 LEU 74 HD21 LEU 74 -23.803 2.042 0.040 582 HD22 LEU 74 HD22 LEU 74 -23.235 0.405 -0.284 583 HD23 LEU 74 HD23 LEU 74 -24.920 0.832 -0.589 584 H GLU 75 HN GLU 75 -23.143 2.607 -5.423 585 HA GLU 75 HA GLU 75 -21.891 0.187 -6.367 586 HB2 GLU 75 HB2 GLU 75 -24.088 1.892 -7.543 587 HB3 GLU 75 HB1 GLU 75 -23.531 0.375 -8.236 588 HG2 GLU 75 HG2 GLU 75 -24.185 -0.790 -6.180 589 HG3 GLU 75 HG1 GLU 75 -24.783 0.733 -5.524 590 H VAL 76 HN VAL 76 -21.926 3.595 -7.287 591 HA VAL 76 HA VAL 76 -20.389 3.097 -9.680 592 HB VAL 76 HB VAL 76 -20.386 5.510 -10.001 593 HG11 VAL 76 HG11 VAL 76 -22.323 4.245 -10.752 594 HG12 VAL 76 HG12 VAL 76 -22.804 5.851 -10.204 595 HG13 VAL 76 HG13 VAL 76 -23.084 4.447 -9.174 596 HG21 VAL 76 HG21 VAL 76 -21.427 7.026 -8.444 597 HG22 VAL 76 HG22 VAL 76 -20.159 6.127 -7.612 598 HG23 VAL 76 HG23 VAL 76 -21.851 5.692 -7.372 599 H ILE 77 HN ILE 77 -19.756 3.907 -6.385 600 HA ILE 77 HA ILE 77 -17.096 4.918 -6.857 601 HB ILE 77 HB ILE 77 -18.411 4.067 -4.275 602 HG12 ILE 77 HG12 ILE 77 -17.970 6.922 -4.871 603 HG13 ILE 77 HG11 ILE 77 -19.181 6.128 -5.872 604 HG21 ILE 77 HG21 ILE 77 -15.998 4.071 -4.076 605 HG22 ILE 77 HG22 ILE 77 -16.675 5.446 -3.203 606 HG23 ILE 77 HG23 ILE 77 -15.919 5.687 -4.778 607 HD11 ILE 77 HD11 ILE 77 -20.335 5.388 -3.832 608 HD12 ILE 77 HD12 ILE 77 -20.229 7.143 -3.966 609 HD13 ILE 77 HD13 ILE 77 -19.154 6.276 -2.870 610 H ILE 78 HN ILE 78 -18.569 1.847 -6.163 611 HA ILE 78 HA ILE 78 -16.084 0.585 -5.397 612 HB ILE 78 HB ILE 78 -18.917 -0.337 -5.661 613 HG12 ILE 78 HG12 ILE 78 -18.109 0.690 -3.568 614 HG13 ILE 78 HG11 ILE 78 -18.590 -0.987 -3.335 615 HG21 ILE 78 HG21 ILE 78 -17.737 -2.127 -6.737 616 HG22 ILE 78 HG22 ILE 78 -18.182 -2.647 -5.112 617 HG23 ILE 78 HG23 ILE 78 -16.523 -2.158 -5.457 618 HD11 ILE 78 HD11 ILE 78 -16.579 -0.566 -2.113 619 HD12 ILE 78 HD12 ILE 78 -15.786 0.078 -3.548 620 HD13 ILE 78 HD13 ILE 78 -16.203 -1.634 -3.463 621 H GLN 79 HN GLN 79 -17.907 1.038 -8.334 622 HA GLN 79 HA GLN 79 -16.705 -1.172 -9.718 623 HB2 GLN 79 HB2 GLN 79 -17.736 -0.168 -11.736 624 HB3 GLN 79 HB1 GLN 79 -18.883 -0.423 -10.429 625 HG2 GLN 79 HG2 GLN 79 -18.825 1.920 -9.866 626 HG3 GLN 79 HG1 GLN 79 -17.578 2.208 -11.080 627 HE21 GLN 79 HE21 GLN 79 -20.939 1.475 -10.534 628 HE22 GLN 79 HE22 GLN 79 -21.491 1.868 -12.123 629 H ARG 80 HN ARG 80 -15.596 1.827 -8.752 630 HA ARG 80 HA ARG 80 -13.932 2.441 -11.004 631 HB2 ARG 80 HB2 ARG 80 -13.749 3.425 -8.150 632 HB3 ARG 80 HB1 ARG 80 -12.919 4.122 -9.533 633 HG2 ARG 80 HG2 ARG 80 -15.912 3.962 -9.312 634 HG3 ARG 80 HG1 ARG 80 -14.966 5.345 -8.762 635 HD2 ARG 80 HD2 ARG 80 -15.698 5.905 -10.927 636 HD3 ARG 80 HD1 ARG 80 -14.009 5.438 -11.109 637 HE ARG 80 HE ARG 80 -15.589 3.177 -11.540 638 HH11 ARG 80 HH11 ARG 80 -14.935 6.263 -13.020 639 HH12 ARG 80 HH12 ARG 80 -15.287 5.712 -14.624 640 HH21 ARG 80 HH21 ARG 80 -16.048 2.443 -13.645 641 HH22 ARG 80 HH22 ARG 80 -15.918 3.540 -14.979 642 H LEU 81 HN LEU 81 -13.328 1.114 -7.757 643 HA LEU 81 HA LEU 81 -10.575 0.525 -8.384 644 HB2 LEU 81 HB2 LEU 81 -12.302 -0.080 -5.990 645 HB3 LEU 81 HB1 LEU 81 -10.632 -0.597 -6.117 646 HG LEU 81 HG LEU 81 -10.033 1.858 -6.408 647 HD11 LEU 81 HD11 LEU 81 -12.230 2.706 -6.981 648 HD12 LEU 81 HD12 LEU 81 -11.647 3.469 -5.502 649 HD13 LEU 81 HD13 LEU 81 -12.859 2.191 -5.416 650 HD21 LEU 81 HD21 LEU 81 -10.119 2.282 -3.999 651 HD22 LEU 81 HD22 LEU 81 -9.616 0.629 -4.351 652 HD23 LEU 81 HD23 LEU 81 -11.262 0.953 -3.808 653 H ASP 82 HN ASP 82 -13.572 -1.305 -7.971 654 HA ASP 82 HA ASP 82 -12.415 -3.876 -8.198 655 HB2 ASP 82 HB2 ASP 82 -14.652 -3.459 -7.234 656 HB3 ASP 82 HB1 ASP 82 -15.243 -3.005 -8.829 657 H MET 83 HN MET 83 -10.961 -3.597 -9.992 658 HA MET 83 HA MET 83 -11.978 -3.076 -12.620 659 HB2 MET 83 HB2 MET 83 -9.665 -3.737 -13.344 660 HB3 MET 83 HB1 MET 83 -9.732 -2.414 -12.188 661 HG2 MET 83 HG2 MET 83 -9.110 -3.898 -10.394 662 HG3 MET 83 HG1 MET 83 -9.158 -5.283 -11.481 663 HE1 MET 83 HE1 MET 83 -6.077 -1.862 -11.828 664 HE2 MET 83 HE2 MET 83 -7.353 -1.912 -10.612 665 HE3 MET 83 HE3 MET 83 -7.763 -1.688 -12.313 666 H ASP 84 HN ASP 84 -10.958 -5.982 -10.861 667 HA ASP 84 HA ASP 84 -11.257 -7.741 -13.066 668 HB2 ASP 84 HB2 ASP 84 -11.282 -9.528 -11.271 669 HB3 ASP 84 HB1 ASP 84 -9.874 -8.470 -11.274 670 H GLY 85 HN GLY 85 -13.486 -6.316 -10.867 671 HA2 GLY 85 HA2 GLY 85 -15.790 -6.293 -10.946 672 HA3 GLY 85 HA1 GLY 85 -15.713 -7.360 -12.334 673 H ASP 86 HN ASP 86 -14.372 -8.001 -9.114 674 HA ASP 86 HA ASP 86 -15.894 -10.473 -9.041 675 HB2 ASP 86 HB2 ASP 86 -14.481 -11.161 -7.277 676 HB3 ASP 86 HB1 ASP 86 -13.435 -10.266 -8.376 677 H GLY 87 HN GLY 87 -16.094 -7.299 -7.728 678 HA2 GLY 87 HA2 GLY 87 -18.273 -6.654 -6.834 679 HA3 GLY 87 HA1 GLY 87 -18.316 -8.202 -6.004 680 H GLN 88 HN GLN 88 -15.360 -7.777 -5.368 681 HA GLN 88 HA GLN 88 -15.713 -5.786 -3.225 682 HB2 GLN 88 HB2 GLN 88 -14.295 -8.445 -2.994 683 HB3 GLN 88 HB1 GLN 88 -14.417 -7.233 -1.727 684 HG2 GLN 88 HG2 GLN 88 -16.852 -7.511 -1.710 685 HG3 GLN 88 HG1 GLN 88 -16.706 -8.754 -2.953 686 HE21 GLN 88 HE21 GLN 88 -15.807 -10.753 -2.416 687 HE22 GLN 88 HE22 GLN 88 -15.664 -11.278 -0.776 688 H VAL 89 HN VAL 89 -13.764 -4.784 -2.453 689 HA VAL 89 HA VAL 89 -11.811 -4.429 -4.579 690 HB VAL 89 HB VAL 89 -12.069 -2.985 -1.935 691 HG11 VAL 89 HG11 VAL 89 -9.805 -2.870 -2.784 692 HG12 VAL 89 HG12 VAL 89 -10.595 -1.306 -2.981 693 HG13 VAL 89 HG13 VAL 89 -10.395 -2.374 -4.370 694 HG21 VAL 89 HG21 VAL 89 -13.049 -1.168 -3.232 695 HG22 VAL 89 HG22 VAL 89 -14.008 -2.639 -3.390 696 HG23 VAL 89 HG23 VAL 89 -12.936 -2.140 -4.699 697 H ASP 90 HN ASP 90 -9.920 -5.450 -4.612 698 HA ASP 90 HA ASP 90 -9.085 -6.982 -2.291 699 HB2 ASP 90 HB2 ASP 90 -8.000 -6.856 -5.109 700 HB3 ASP 90 HB1 ASP 90 -7.353 -7.897 -3.844 701 H PHE 91 HN PHE 91 -7.038 -6.835 -1.328 702 HA PHE 91 HA PHE 91 -6.120 -4.371 -0.615 703 HB2 PHE 91 HB2 PHE 91 -5.457 -6.346 0.591 704 HB3 PHE 91 HB1 PHE 91 -4.579 -6.962 -0.805 705 HD1 PHE 91 HD1 PHE 91 -4.632 -4.172 1.643 706 HD2 PHE 91 HD2 PHE 91 -2.324 -6.478 -1.089 707 HE1 PHE 91 HE1 PHE 91 -2.585 -3.073 2.451 708 HE2 PHE 91 HE2 PHE 91 -0.272 -5.383 -0.287 709 HZ PHE 91 HZ PHE 91 -0.401 -3.678 1.486 710 H GLU 92 HN GLU 92 -4.655 -6.425 -3.137 711 HA GLU 92 HA GLU 92 -2.584 -4.799 -3.920 712 HB2 GLU 92 HB2 GLU 92 -4.315 -6.496 -5.724 713 HB3 GLU 92 HB1 GLU 92 -2.702 -5.908 -6.106 714 HG2 GLU 92 HG2 GLU 92 -1.803 -7.204 -4.224 715 HG3 GLU 92 HG1 GLU 92 -3.422 -7.823 -3.897 716 H GLU 93 HN GLU 93 -5.845 -4.810 -5.370 717 HA GLU 93 HA GLU 93 -5.511 -2.778 -7.193 718 HB2 GLU 93 HB2 GLU 93 -7.976 -3.388 -5.556 719 HB3 GLU 93 HB1 GLU 93 -7.950 -2.430 -7.030 720 HG2 GLU 93 HG2 GLU 93 -7.282 -4.331 -8.326 721 HG3 GLU 93 HG1 GLU 93 -7.087 -5.308 -6.871 722 H PHE 94 HN PHE 94 -6.115 -2.493 -3.729 723 HA PHE 94 HA PHE 94 -6.397 0.393 -3.921 724 HB2 PHE 94 HB2 PHE 94 -7.831 -0.875 -2.370 725 HB3 PHE 94 HB1 PHE 94 -6.402 -1.400 -1.486 726 HD1 PHE 94 HD1 PHE 94 -8.055 1.743 -2.631 727 HD2 PHE 94 HD2 PHE 94 -5.787 -0.222 0.389 728 HE1 PHE 94 HE1 PHE 94 -8.194 3.755 -1.220 729 HE2 PHE 94 HE2 PHE 94 -5.924 1.786 1.804 730 HZ PHE 94 HZ PHE 94 -7.129 3.778 1.000 731 H VAL 95 HN VAL 95 -3.874 -1.873 -3.384 732 HA VAL 95 HA VAL 95 -2.229 -0.143 -1.792 733 HB VAL 95 HB VAL 95 -2.137 -2.768 -2.063 734 HG11 VAL 95 HG11 VAL 95 0.038 -1.976 -3.983 735 HG12 VAL 95 HG12 VAL 95 -1.544 -2.537 -4.516 736 HG13 VAL 95 HG13 VAL 95 -0.512 -3.597 -3.560 737 HG21 VAL 95 HG21 VAL 95 -0.846 -1.477 -0.461 738 HG22 VAL 95 HG22 VAL 95 0.311 -1.042 -1.719 739 HG23 VAL 95 HG23 VAL 95 0.159 -2.721 -1.204 740 H THR 96 HN THR 96 -2.760 -0.647 -5.187 741 HA THR 96 HA THR 96 -0.358 0.736 -5.993 742 HB THR 96 HB THR 96 -2.738 -0.059 -7.681 743 HG1 THR 96 HG1 THR 96 -0.362 -1.502 -7.783 744 HG21 THR 96 HG21 THR 96 -1.159 0.095 -9.547 745 HG22 THR 96 HG22 THR 96 0.106 0.625 -8.439 746 HG23 THR 96 HG23 THR 96 -1.308 1.643 -8.715 747 H LEU 97 HN LEU 97 -3.840 1.415 -5.872 748 HA LEU 97 HA LEU 97 -3.651 3.992 -7.054 749 HB2 LEU 97 HB2 LEU 97 -5.773 2.767 -5.292 750 HB3 LEU 97 HB1 LEU 97 -5.936 4.322 -6.085 751 HG LEU 97 HG LEU 97 -5.575 1.685 -7.514 752 HD11 LEU 97 HD11 LEU 97 -7.912 1.911 -8.133 753 HD12 LEU 97 HD12 LEU 97 -8.039 3.390 -7.182 754 HD13 LEU 97 HD13 LEU 97 -7.740 1.849 -6.379 755 HD21 LEU 97 HD21 LEU 97 -6.152 2.971 -9.517 756 HD22 LEU 97 HD22 LEU 97 -4.672 3.568 -8.765 757 HD23 LEU 97 HD23 LEU 97 -6.184 4.451 -8.556 758 H LEU 98 HN LEU 98 -2.794 2.826 -3.995 759 HA LEU 98 HA LEU 98 -2.904 5.532 -2.839 760 HB2 LEU 98 HB2 LEU 98 -4.160 3.883 -1.566 761 HB3 LEU 98 HB1 LEU 98 -2.753 2.842 -1.478 762 HG LEU 98 HG LEU 98 -2.429 5.567 -0.363 763 HD11 LEU 98 HD11 LEU 98 -4.658 5.054 0.417 764 HD12 LEU 98 HD12 LEU 98 -3.510 4.914 1.749 765 HD13 LEU 98 HD13 LEU 98 -4.130 3.463 0.963 766 HD21 LEU 98 HD21 LEU 98 -0.619 3.942 -0.283 767 HD22 LEU 98 HD22 LEU 98 -1.661 2.801 0.567 768 HD23 LEU 98 HD23 LEU 98 -1.189 4.312 1.344 769 H GLY 99 HN GLY 99 -0.852 2.855 -3.683 770 HA2 GLY 99 HA2 GLY 99 1.482 4.487 -2.910 771 HA3 GLY 99 HA1 GLY 99 1.428 2.767 -2.557 772 HA PRO 100 HA PRO 100 1.623 3.305 -7.450 773 HB2 PRO 100 HB2 PRO 100 2.953 5.960 -7.495 774 HB3 PRO 100 HB1 PRO 100 1.714 5.303 -8.569 775 HG2 PRO 100 HG2 PRO 100 1.105 7.159 -6.756 776 HG3 PRO 100 HG1 PRO 100 -0.014 5.832 -7.120 777 HD2 PRO 100 HD2 PRO 100 1.816 6.185 -4.781 778 HD3 PRO 100 HD1 PRO 100 0.166 5.532 -4.833 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 -18.987 1.543 -19.872 2 H2 MET 1 HT2 MET 1 -17.458 1.851 -19.217 3 H3 MET 1 HT3 MET 1 -18.812 1.775 -18.205 4 HA MET 1 HA MET 1 -17.666 -0.467 -19.763 5 HB2 MET 1 HB2 MET 1 -17.705 0.104 -16.792 6 HB3 MET 1 HB1 MET 1 -17.163 -1.406 -17.511 7 HG2 MET 1 HG2 MET 1 -15.395 -0.191 -18.698 8 HG3 MET 1 HG1 MET 1 -15.929 1.306 -17.934 9 HE1 MET 1 HE1 MET 1 -12.493 0.437 -16.184 10 HE2 MET 1 HE2 MET 1 -13.383 1.672 -17.074 11 HE3 MET 1 HE3 MET 1 -12.948 0.157 -17.865 12 HA PRO 2 HA PRO 2 -21.681 -2.289 -19.314 13 HB2 PRO 2 HB2 PRO 2 -21.099 -4.876 -19.742 14 HB3 PRO 2 HB1 PRO 2 -20.990 -3.674 -21.032 15 HG2 PRO 2 HG2 PRO 2 -18.811 -4.856 -19.358 16 HG3 PRO 2 HG1 PRO 2 -18.832 -4.535 -21.101 17 HD2 PRO 2 HD2 PRO 2 -17.632 -2.894 -19.270 18 HD3 PRO 2 HD1 PRO 2 -18.277 -2.328 -20.823 19 H PHE 3 HN PHE 3 -22.871 -2.811 -17.596 20 HA PHE 3 HA PHE 3 -21.691 -3.467 -15.100 21 HB2 PHE 3 HB2 PHE 3 -23.786 -2.157 -15.345 22 HB3 PHE 3 HB1 PHE 3 -24.604 -3.610 -15.907 23 HD1 PHE 3 HD2 PHE 3 -22.827 -2.142 -13.008 24 HD2 PHE 3 HD1 PHE 3 -25.517 -5.136 -14.391 25 HE1 PHE 3 HE2 PHE 3 -23.358 -2.736 -10.680 26 HE2 PHE 3 HE1 PHE 3 -26.053 -5.735 -12.066 27 HZ PHE 3 HZ PHE 3 -24.971 -4.535 -10.207 28 H HIS 4 HN HIS 4 -22.747 -5.343 -17.753 29 HA HIS 4 HA HIS 4 -23.231 -7.750 -16.229 30 HB2 HIS 4 HB2 HIS 4 -22.999 -7.335 -19.216 31 HB3 HIS 4 HB1 HIS 4 -23.548 -8.811 -18.429 32 HD1 HIS 4 HD1 HIS 4 -24.638 -5.350 -19.305 33 HD2 HIS 4 HD2 HIS 4 -26.166 -8.722 -17.418 34 HE1 HIS 4 HE1 HIS 4 -27.109 -4.936 -19.087 35 HE2 HIS 4 HE2 HIS 4 -27.998 -6.952 -17.865 36 HA PRO 5 HA PRO 5 -18.901 -8.855 -16.011 37 HB2 PRO 5 HB2 PRO 5 -19.310 -11.536 -15.495 38 HB3 PRO 5 HB1 PRO 5 -19.312 -10.264 -14.271 39 HG2 PRO 5 HG2 PRO 5 -21.617 -11.581 -15.642 40 HG3 PRO 5 HG1 PRO 5 -21.446 -11.103 -13.942 41 HD2 PRO 5 HD2 PRO 5 -22.887 -9.642 -15.666 42 HD3 PRO 5 HD1 PRO 5 -21.915 -8.877 -14.390 43 H VAL 6 HN VAL 6 -17.490 -9.426 -17.545 44 HA VAL 6 HA VAL 6 -18.509 -10.777 -19.931 45 HB VAL 6 HB VAL 6 -16.409 -10.019 -21.004 46 HG11 VAL 6 HG11 VAL 6 -18.002 -7.856 -19.632 47 HG12 VAL 6 HG12 VAL 6 -18.408 -8.648 -21.155 48 HG13 VAL 6 HG13 VAL 6 -16.973 -7.629 -21.048 49 HG21 VAL 6 HG21 VAL 6 -14.979 -8.402 -19.832 50 HG22 VAL 6 HG22 VAL 6 -14.969 -9.978 -19.040 51 HG23 VAL 6 HG23 VAL 6 -15.914 -8.654 -18.357 52 H THR 7 HN THR 7 -17.289 -12.464 -20.955 53 HA THR 7 HA THR 7 -15.826 -14.119 -19.013 54 HB THR 7 HB THR 7 -17.120 -15.004 -21.601 55 HG1 THR 7 HG1 THR 7 -18.911 -15.130 -20.490 56 HG21 THR 7 HG21 THR 7 -16.051 -16.595 -19.265 57 HG22 THR 7 HG22 THR 7 -15.274 -16.439 -20.840 58 HG23 THR 7 HG23 THR 7 -16.831 -17.258 -20.702 59 H ALA 8 HN ALA 8 -13.791 -13.174 -19.290 60 HA ALA 8 HA ALA 8 -12.556 -13.581 -21.937 61 HB1 ALA 8 HB1 ALA 8 -12.659 -11.229 -21.262 62 HB2 ALA 8 HB2 ALA 8 -10.994 -11.800 -21.368 63 HB3 ALA 8 HB3 ALA 8 -11.763 -11.612 -19.792 64 H ALA 9 HN ALA 9 -10.678 -14.716 -22.092 65 HA ALA 9 HA ALA 9 -9.943 -16.343 -19.810 66 HB1 ALA 9 HB1 ALA 9 -8.892 -16.363 -22.637 67 HB2 ALA 9 HB2 ALA 9 -10.181 -17.385 -22.004 68 HB3 ALA 9 HB3 ALA 9 -8.536 -17.561 -21.394 69 H LEU 10 HN LEU 10 -8.507 -13.820 -21.818 70 HA LEU 10 HA LEU 10 -6.154 -13.805 -20.051 71 HB2 LEU 10 HB2 LEU 10 -6.503 -12.609 -22.802 72 HB3 LEU 10 HB1 LEU 10 -5.049 -12.495 -21.833 73 HG LEU 10 HG LEU 10 -5.113 -15.100 -21.881 74 HD11 LEU 10 HD11 LEU 10 -7.315 -15.326 -22.877 75 HD12 LEU 10 HD12 LEU 10 -6.083 -15.995 -23.946 76 HD13 LEU 10 HD13 LEU 10 -6.788 -14.416 -24.293 77 HD21 LEU 10 HD21 LEU 10 -4.388 -13.455 -24.303 78 HD22 LEU 10 HD22 LEU 10 -3.810 -15.086 -23.960 79 HD23 LEU 10 HD23 LEU 10 -3.368 -13.751 -22.895 80 H MET 11 HN MET 11 -5.750 -12.103 -18.772 81 HA MET 11 HA MET 11 -7.434 -9.707 -19.109 82 HB2 MET 11 HB2 MET 11 -6.464 -10.912 -16.510 83 HB3 MET 11 HB1 MET 11 -7.441 -9.459 -16.671 84 HG2 MET 11 HG2 MET 11 -9.259 -10.774 -17.617 85 HG3 MET 11 HG1 MET 11 -8.278 -12.233 -17.488 86 HE1 MET 11 HE1 MET 11 -11.220 -12.062 -16.253 87 HE2 MET 11 HE2 MET 11 -10.929 -12.868 -14.712 88 HE3 MET 11 HE3 MET 11 -10.165 -13.473 -16.181 89 H TYR 12 HN TYR 12 -4.749 -10.249 -20.153 90 HA TYR 12 HA TYR 12 -2.938 -8.673 -18.543 91 HB2 TYR 12 HB2 TYR 12 -2.592 -9.754 -21.349 92 HB3 TYR 12 HB1 TYR 12 -1.322 -9.078 -20.337 93 HD1 TYR 12 HD2 TYR 12 -0.682 -10.294 -18.219 94 HD2 TYR 12 HD1 TYR 12 -3.213 -12.022 -21.171 95 HE1 TYR 12 HE2 TYR 12 -0.235 -12.525 -17.288 96 HE2 TYR 12 HE1 TYR 12 -2.773 -14.258 -20.248 97 HH TYR 12 HH TYR 12 -1.112 -15.403 -18.911 98 H ARG 13 HN ARG 13 -4.707 -8.304 -21.588 99 HA ARG 13 HA ARG 13 -3.663 -5.732 -22.201 100 HB2 ARG 13 HB2 ARG 13 -4.661 -7.229 -23.896 101 HB3 ARG 13 HB1 ARG 13 -6.232 -7.024 -23.137 102 HG2 ARG 13 HG2 ARG 13 -6.166 -4.632 -23.652 103 HG3 ARG 13 HG1 ARG 13 -4.595 -4.850 -24.426 104 HD2 ARG 13 HD2 ARG 13 -7.194 -6.130 -25.268 105 HD3 ARG 13 HD1 ARG 13 -6.383 -4.793 -26.082 106 HE ARG 13 HE ARG 13 -4.491 -6.689 -26.116 107 HH11 ARG 13 HH11 ARG 13 -7.871 -6.771 -26.962 108 HH12 ARG 13 HH12 ARG 13 -7.675 -8.009 -28.156 109 HH21 ARG 13 HH21 ARG 13 -4.224 -8.320 -27.687 110 HH22 ARG 13 HH22 ARG 13 -5.601 -8.890 -28.570 111 H GLY 14 HN GLY 14 -6.186 -6.860 -20.130 112 HA2 GLY 14 HA2 GLY 14 -7.472 -4.255 -19.962 113 HA3 GLY 14 HA1 GLY 14 -7.955 -5.713 -19.109 114 H ILE 15 HN ILE 15 -4.652 -4.582 -19.084 115 HA ILE 15 HA ILE 15 -4.888 -3.129 -16.624 116 HB ILE 15 HB ILE 15 -5.069 -5.448 -15.792 117 HG12 ILE 15 HG12 ILE 15 -2.429 -4.151 -15.074 118 HG13 ILE 15 HG11 ILE 15 -3.994 -3.650 -14.442 119 HG21 ILE 15 HG21 ILE 15 -2.302 -5.793 -16.942 120 HG22 ILE 15 HG22 ILE 15 -3.775 -6.542 -17.559 121 HG23 ILE 15 HG23 ILE 15 -3.173 -6.968 -15.957 122 HD11 ILE 15 HD11 ILE 15 -2.634 -6.296 -14.006 123 HD12 ILE 15 HD12 ILE 15 -4.262 -5.899 -13.456 124 HD13 ILE 15 HD13 ILE 15 -2.876 -5.011 -12.821 125 H TYR 16 HN TYR 16 -3.002 -2.035 -16.068 126 HA TYR 16 HA TYR 16 -1.143 -1.641 -18.214 127 HB2 TYR 16 HB2 TYR 16 -0.071 -0.057 -16.493 128 HB3 TYR 16 HB1 TYR 16 -1.697 0.324 -17.051 129 HD1 TYR 16 HD2 TYR 16 0.253 -1.063 -14.234 130 HD2 TYR 16 HD1 TYR 16 -3.536 0.359 -15.546 131 HE1 TYR 16 HE2 TYR 16 -0.536 -1.034 -11.905 132 HE2 TYR 16 HE1 TYR 16 -4.335 0.392 -13.222 133 HH TYR 16 HH TYR 16 -3.807 -0.695 -11.078 134 H THR 17 HN THR 17 1.090 -1.993 -18.191 135 HA THR 17 HA THR 17 1.901 -4.289 -16.589 136 HB THR 17 HB THR 17 3.841 -4.415 -18.091 137 HG1 THR 17 HG1 THR 17 2.768 -2.399 -19.726 138 HG21 THR 17 HG21 THR 17 2.640 -4.958 -20.152 139 HG22 THR 17 HG22 THR 17 1.229 -4.074 -19.570 140 HG23 THR 17 HG23 THR 17 1.759 -5.536 -18.738 141 H VAL 18 HN VAL 18 2.888 -0.943 -17.189 142 HA VAL 18 HA VAL 18 5.272 -0.953 -15.730 143 HB VAL 18 HB VAL 18 4.956 1.499 -15.507 144 HG11 VAL 18 HG11 VAL 18 5.962 0.580 -17.516 145 HG12 VAL 18 HG12 VAL 18 4.970 1.981 -17.917 146 HG13 VAL 18 HG13 VAL 18 4.368 0.355 -18.235 147 HG21 VAL 18 HG21 VAL 18 2.540 1.539 -15.183 148 HG22 VAL 18 HG22 VAL 18 2.298 0.961 -16.831 149 HG23 VAL 18 HG23 VAL 18 3.003 2.552 -16.550 150 HA PRO 19 HA PRO 19 4.191 -1.427 -11.484 151 HB2 PRO 19 HB2 PRO 19 5.777 0.630 -10.425 152 HB3 PRO 19 HB1 PRO 19 6.261 -1.051 -10.654 153 HG2 PRO 19 HG2 PRO 19 6.805 1.328 -12.353 154 HG3 PRO 19 HG1 PRO 19 7.814 -0.097 -12.054 155 HD2 PRO 19 HD2 PRO 19 6.489 0.234 -14.366 156 HD3 PRO 19 HD1 PRO 19 6.701 -1.372 -13.637 157 H ASN 20 HN ASN 20 4.722 2.055 -12.094 158 HA ASN 20 HA ASN 20 2.041 2.825 -11.895 159 HB2 ASN 20 HB2 ASN 20 2.029 3.837 -9.628 160 HB3 ASN 20 HB1 ASN 20 2.133 2.081 -9.589 161 HD21 ASN 20 HD21 ASN 20 2.896 4.023 -7.575 162 HD22 ASN 20 HD22 ASN 20 4.573 3.756 -7.255 163 H LEU 21 HN LEU 21 3.940 3.612 -13.609 164 HA LEU 21 HA LEU 21 5.261 6.020 -12.780 165 HB2 LEU 21 HB2 LEU 21 4.848 4.678 -15.438 166 HB3 LEU 21 HB1 LEU 21 5.575 6.269 -15.329 167 HG LEU 21 HG LEU 21 7.308 4.607 -15.527 168 HD11 LEU 21 HD11 LEU 21 7.181 5.658 -12.706 169 HD12 LEU 21 HD12 LEU 21 7.772 6.542 -14.112 170 HD13 LEU 21 HD13 LEU 21 8.629 5.107 -13.548 171 HD21 LEU 21 HD21 LEU 21 6.071 2.685 -14.669 172 HD22 LEU 21 HD22 LEU 21 6.153 3.355 -13.040 173 HD23 LEU 21 HD23 LEU 21 7.630 2.856 -13.863 174 H LEU 22 HN LEU 22 2.112 5.250 -13.771 175 HA LEU 22 HA LEU 22 1.556 7.999 -14.628 176 HB2 LEU 22 HB2 LEU 22 -0.703 6.997 -15.245 177 HB3 LEU 22 HB1 LEU 22 0.682 6.514 -16.205 178 HG LEU 22 HG LEU 22 0.792 4.443 -14.692 179 HD11 LEU 22 HD11 LEU 22 -1.381 3.785 -13.720 180 HD12 LEU 22 HD12 LEU 22 -1.989 5.407 -14.050 181 HD13 LEU 22 HD13 LEU 22 -0.657 5.177 -12.916 182 HD21 LEU 22 HD21 LEU 22 -1.546 4.831 -16.555 183 HD22 LEU 22 HD22 LEU 22 -0.889 3.278 -16.037 184 HD23 LEU 22 HD23 LEU 22 0.092 4.368 -17.019 185 H SER 23 HN SER 23 1.563 6.227 -11.857 186 HA SER 23 HA SER 23 -0.823 7.511 -10.735 187 HB2 SER 23 HB2 SER 23 -0.663 5.111 -10.344 188 HB3 SER 23 HB1 SER 23 0.935 5.309 -9.626 189 HG SER 23 HG SER 23 -0.159 5.488 -7.839 190 H GLU 24 HN GLU 24 2.540 6.859 -9.714 191 HA GLU 24 HA GLU 24 2.494 9.444 -8.299 192 HB2 GLU 24 HB2 GLU 24 4.066 6.960 -7.594 193 HB3 GLU 24 HB1 GLU 24 4.123 8.489 -6.726 194 HG2 GLU 24 HG2 GLU 24 1.683 6.753 -7.031 195 HG3 GLU 24 HG1 GLU 24 2.723 6.818 -5.608 196 H GLN 25 HN GLN 25 4.390 7.235 -10.269 197 HA GLN 25 HA GLN 25 6.098 7.574 -11.720 198 HB2 GLN 25 HB2 GLN 25 4.885 9.557 -12.470 199 HB3 GLN 25 HB1 GLN 25 5.607 10.505 -11.178 200 HG2 GLN 25 HG2 GLN 25 7.822 10.138 -12.165 201 HG3 GLN 25 HG1 GLN 25 7.071 9.230 -13.476 202 HE21 GLN 25 HE21 GLN 25 8.668 11.673 -13.553 203 HE22 GLN 25 HE22 GLN 25 7.684 12.865 -14.325 204 H ARG 26 HN ARG 26 6.211 8.630 -8.515 205 HA ARG 26 HA ARG 26 8.950 9.456 -8.461 206 HB2 ARG 26 HB2 ARG 26 8.697 9.434 -6.024 207 HB3 ARG 26 HB1 ARG 26 7.362 10.276 -6.797 208 HG2 ARG 26 HG2 ARG 26 6.024 8.177 -6.586 209 HG3 ARG 26 HG1 ARG 26 7.342 7.507 -5.624 210 HD2 ARG 26 HD2 ARG 26 5.746 9.986 -4.982 211 HD3 ARG 26 HD1 ARG 26 5.592 8.418 -4.193 212 HE ARG 26 HE ARG 26 8.253 9.259 -3.974 213 HH11 ARG 26 HH11 ARG 26 5.087 10.156 -2.831 214 HH12 ARG 26 HH12 ARG 26 5.672 10.840 -1.351 215 HH21 ARG 26 HH21 ARG 26 9.034 10.160 -2.027 216 HH22 ARG 26 HH22 ARG 26 7.914 10.842 -0.894 217 HA PRO 27 HA PRO 27 10.605 5.322 -8.174 218 HB2 PRO 27 HB2 PRO 27 13.196 5.937 -8.133 219 HB3 PRO 27 HB1 PRO 27 12.215 6.244 -9.571 220 HG2 PRO 27 HG2 PRO 27 13.179 8.152 -7.490 221 HG3 PRO 27 HG1 PRO 27 13.011 8.386 -9.238 222 HD2 PRO 27 HD2 PRO 27 11.190 9.225 -7.282 223 HD3 PRO 27 HD1 PRO 27 10.867 9.102 -9.022 224 H VAL 28 HN VAL 28 9.573 5.279 -5.921 225 HA VAL 28 HA VAL 28 11.723 4.959 -3.957 226 HB VAL 28 HB VAL 28 10.252 5.871 -2.170 227 HG11 VAL 28 HG11 VAL 28 10.724 8.224 -2.661 228 HG12 VAL 28 HG12 VAL 28 11.020 7.813 -4.350 229 HG13 VAL 28 HG13 VAL 28 12.088 7.191 -3.092 230 HG21 VAL 28 HG21 VAL 28 8.634 6.896 -4.501 231 HG22 VAL 28 HG22 VAL 28 8.410 7.359 -2.814 232 HG23 VAL 28 HG23 VAL 28 8.116 5.694 -3.320 233 H ASP 29 HN ASP 29 10.803 3.879 -1.915 234 HA ASP 29 HA ASP 29 8.824 1.838 -2.671 235 HB2 ASP 29 HB2 ASP 29 10.150 0.116 -1.682 236 HB3 ASP 29 HB1 ASP 29 11.207 1.027 -2.756 237 H ILE 30 HN ILE 30 7.309 1.363 -1.155 238 HA ILE 30 HA ILE 30 7.333 2.978 1.272 239 HB ILE 30 HB ILE 30 5.112 1.228 0.221 240 HG12 ILE 30 HG12 ILE 30 5.661 2.983 -1.405 241 HG13 ILE 30 HG11 ILE 30 4.110 3.307 -0.637 242 HG21 ILE 30 HG21 ILE 30 4.932 1.698 2.587 243 HG22 ILE 30 HG22 ILE 30 3.697 2.589 1.696 244 HG23 ILE 30 HG23 ILE 30 5.138 3.422 2.282 245 HD11 ILE 30 HD11 ILE 30 5.403 5.338 -0.876 246 HD12 ILE 30 HD12 ILE 30 6.732 4.624 0.036 247 HD13 ILE 30 HD13 ILE 30 5.188 4.942 0.829 248 HA PRO 31 HA PRO 31 8.751 -0.717 3.448 249 HB2 PRO 31 HB2 PRO 31 9.001 0.468 5.881 250 HB3 PRO 31 HB1 PRO 31 10.211 0.625 4.602 251 HG2 PRO 31 HG2 PRO 31 8.040 2.524 5.400 252 HG3 PRO 31 HG1 PRO 31 9.727 2.867 4.983 253 HD2 PRO 31 HD2 PRO 31 7.703 3.236 3.234 254 HD3 PRO 31 HD1 PRO 31 9.325 2.740 2.716 255 H GLU 32 HN GLU 32 7.841 -2.168 4.903 256 HA GLU 32 HA GLU 32 5.178 -2.543 5.025 257 HB2 GLU 32 HB2 GLU 32 6.791 -4.197 5.807 258 HB3 GLU 32 HB1 GLU 32 7.135 -3.218 7.226 259 HG2 GLU 32 HG2 GLU 32 4.795 -3.500 7.948 260 HG3 GLU 32 HG1 GLU 32 4.524 -4.558 6.563 261 H ASP 33 HN ASP 33 7.024 -0.573 7.323 262 HA ASP 33 HA ASP 33 5.194 -0.099 9.284 263 HB2 ASP 33 HB2 ASP 33 7.044 1.932 8.025 264 HB3 ASP 33 HB1 ASP 33 6.261 2.109 9.593 265 H GLU 34 HN GLU 34 5.504 1.937 6.356 266 HA GLU 34 HA GLU 34 3.091 3.357 6.912 267 HB2 GLU 34 HB2 GLU 34 3.656 3.536 4.137 268 HB3 GLU 34 HB1 GLU 34 3.931 4.747 5.382 269 HG2 GLU 34 HG2 GLU 34 5.896 2.550 4.927 270 HG3 GLU 34 HG1 GLU 34 5.885 3.980 3.897 271 H LEU 35 HN LEU 35 3.836 0.385 5.324 272 HA LEU 35 HA LEU 35 1.585 0.237 3.636 273 HB2 LEU 35 HB2 LEU 35 3.492 -1.249 3.339 274 HB3 LEU 35 HB1 LEU 35 3.183 -1.990 4.898 275 HG LEU 35 HG LEU 35 0.985 -2.787 4.026 276 HD11 LEU 35 HD11 LEU 35 2.057 -1.665 1.449 277 HD12 LEU 35 HD12 LEU 35 0.561 -1.231 2.276 278 HD13 LEU 35 HD13 LEU 35 0.733 -2.825 1.542 279 HD21 LEU 35 HD21 LEU 35 1.909 -4.581 2.659 280 HD22 LEU 35 HD22 LEU 35 2.918 -4.261 4.069 281 HD23 LEU 35 HD23 LEU 35 3.412 -3.677 2.481 282 H GLU 36 HN GLU 36 2.114 -0.545 7.009 283 HA GLU 36 HA GLU 36 -0.186 -2.037 7.529 284 HB2 GLU 36 HB2 GLU 36 1.661 -1.794 9.133 285 HB3 GLU 36 HB1 GLU 36 1.253 -0.098 9.353 286 HG2 GLU 36 HG2 GLU 36 0.422 -1.399 11.202 287 HG3 GLU 36 HG1 GLU 36 -0.925 -0.751 10.266 288 H GLU 37 HN GLU 37 0.308 1.411 7.213 289 HA GLU 37 HA GLU 37 -2.147 2.278 8.292 290 HB2 GLU 37 HB2 GLU 37 -0.482 3.584 6.131 291 HB3 GLU 37 HB1 GLU 37 -1.718 4.372 7.102 292 HG2 GLU 37 HG2 GLU 37 0.895 3.246 8.083 293 HG3 GLU 37 HG1 GLU 37 0.468 4.949 7.926 294 H ILE 38 HN ILE 38 -1.215 1.039 5.170 295 HA ILE 38 HA ILE 38 -3.533 1.828 3.739 296 HB ILE 38 HB ILE 38 -1.700 -0.519 3.182 297 HG12 ILE 38 HG12 ILE 38 -1.564 2.388 2.346 298 HG13 ILE 38 HG11 ILE 38 -0.379 1.485 3.282 299 HG21 ILE 38 HG21 ILE 38 -3.555 1.000 1.345 300 HG22 ILE 38 HG22 ILE 38 -3.853 -0.610 2.000 301 HG23 ILE 38 HG23 ILE 38 -2.507 -0.345 0.894 302 HD11 ILE 38 HD11 ILE 38 -1.044 1.079 0.375 303 HD12 ILE 38 HD12 ILE 38 0.095 0.105 1.302 304 HD13 ILE 38 HD13 ILE 38 0.416 1.816 1.033 305 H ARG 39 HN ARG 39 -2.599 -1.172 5.380 306 HA ARG 39 HA ARG 39 -5.001 -2.568 4.786 307 HB2 ARG 39 HB2 ARG 39 -3.021 -3.067 7.016 308 HB3 ARG 39 HB1 ARG 39 -4.215 -4.208 6.413 309 HG2 ARG 39 HG2 ARG 39 -3.001 -4.730 4.584 310 HG3 ARG 39 HG1 ARG 39 -2.331 -3.104 4.430 311 HD2 ARG 39 HD2 ARG 39 -0.550 -4.583 5.023 312 HD3 ARG 39 HD1 ARG 39 -0.913 -3.578 6.424 313 HE ARG 39 HE ARG 39 -2.407 -5.909 6.672 314 HH11 ARG 39 HH11 ARG 39 0.945 -4.962 6.608 315 HH12 ARG 39 HH12 ARG 39 1.467 -6.269 7.618 316 HH21 ARG 39 HH21 ARG 39 -1.730 -7.632 8.005 317 HH22 ARG 39 HH22 ARG 39 -0.054 -7.787 8.412 318 H GLU 40 HN GLU 40 -3.830 -1.586 8.007 319 HA GLU 40 HA GLU 40 -6.049 -1.926 9.486 320 HB2 GLU 40 HB2 GLU 40 -3.892 -1.075 10.344 321 HB3 GLU 40 HB1 GLU 40 -4.268 0.507 9.675 322 HG2 GLU 40 HG2 GLU 40 -6.148 0.740 11.160 323 HG3 GLU 40 HG1 GLU 40 -5.915 -0.899 11.765 324 H ALA 41 HN ALA 41 -5.602 0.615 7.118 325 HA ALA 41 HA ALA 41 -7.722 2.281 7.946 326 HB1 ALA 41 HB1 ALA 41 -6.539 1.950 5.194 327 HB2 ALA 41 HB2 ALA 41 -5.974 3.058 6.445 328 HB3 ALA 41 HB3 ALA 41 -7.567 3.282 5.724 329 H PHE 42 HN PHE 42 -7.847 0.702 4.780 330 HA PHE 42 HA PHE 42 -10.706 0.513 4.991 331 HB2 PHE 42 HB2 PHE 42 -8.702 -0.007 2.842 332 HB3 PHE 42 HB1 PHE 42 -10.337 -0.636 2.669 333 HD1 PHE 42 HD2 PHE 42 -8.484 2.512 3.371 334 HD2 PHE 42 HD1 PHE 42 -12.003 0.708 1.805 335 HE1 PHE 42 HE2 PHE 42 -9.247 4.709 2.564 336 HE2 PHE 42 HE1 PHE 42 -12.774 2.899 0.995 337 HZ PHE 42 HZ PHE 42 -11.398 4.905 1.377 338 H LYS 43 HN LYS 43 -8.054 -1.699 5.390 339 HA LYS 43 HA LYS 43 -9.429 -4.098 4.927 340 HB2 LYS 43 HB2 LYS 43 -6.856 -3.521 5.490 341 HB3 LYS 43 HB1 LYS 43 -7.376 -4.120 7.060 342 HG2 LYS 43 HG2 LYS 43 -6.390 -5.884 5.695 343 HG3 LYS 43 HG1 LYS 43 -8.087 -6.213 6.051 344 HD2 LYS 43 HD2 LYS 43 -7.560 -6.726 3.719 345 HD3 LYS 43 HD1 LYS 43 -8.714 -5.396 3.830 346 HE2 LYS 43 HE2 LYS 43 -6.842 -3.801 3.534 347 HE3 LYS 43 HE1 LYS 43 -5.749 -5.170 3.319 348 HZ1 LYS 43 HZ1 LYS 43 -8.093 -4.568 1.595 349 HZ2 LYS 43 HZ2 LYS 43 -6.992 -5.834 1.374 350 HZ3 LYS 43 HZ3 LYS 43 -6.481 -4.231 1.203 351 H VAL 44 HN VAL 44 -9.174 -2.112 7.885 352 HA VAL 44 HA VAL 44 -10.530 -4.048 9.492 353 HB VAL 44 HB VAL 44 -10.736 -2.368 11.196 354 HG11 VAL 44 HG11 VAL 44 -8.366 -1.663 11.407 355 HG12 VAL 44 HG12 VAL 44 -8.093 -2.236 9.762 356 HG13 VAL 44 HG13 VAL 44 -8.572 -3.372 11.024 357 HG21 VAL 44 HG21 VAL 44 -11.468 -0.468 9.953 358 HG22 VAL 44 HG22 VAL 44 -9.959 -0.412 9.046 359 HG23 VAL 44 HG23 VAL 44 -9.965 -0.030 10.766 360 H PHE 45 HN PHE 45 -11.588 -1.307 7.517 361 HA PHE 45 HA PHE 45 -14.202 -1.095 8.474 362 HB2 PHE 45 HB2 PHE 45 -13.100 -0.625 5.700 363 HB3 PHE 45 HB1 PHE 45 -14.774 -0.297 6.129 364 HD1 PHE 45 HD1 PHE 45 -14.620 0.909 8.746 365 HD2 PHE 45 HD2 PHE 45 -12.037 1.396 5.400 366 HE1 PHE 45 HE1 PHE 45 -13.982 3.139 9.566 367 HE2 PHE 45 HE2 PHE 45 -11.391 3.623 6.218 368 HZ PHE 45 HZ PHE 45 -12.364 4.498 8.303 369 H ASP 46 HN ASP 46 -12.715 -3.640 6.768 370 HA ASP 46 HA ASP 46 -14.948 -4.782 5.474 371 HB2 ASP 46 HB2 ASP 46 -12.552 -5.392 5.055 372 HB3 ASP 46 HB1 ASP 46 -12.536 -6.220 6.608 373 H ARG 47 HN ARG 47 -16.721 -4.789 6.817 374 HA ARG 47 HA ARG 47 -16.835 -5.518 9.485 375 HB2 ARG 47 HB2 ARG 47 -19.028 -6.008 7.475 376 HB3 ARG 47 HB1 ARG 47 -19.206 -5.726 9.202 377 HG2 ARG 47 HG2 ARG 47 -18.317 -3.442 8.883 378 HG3 ARG 47 HG1 ARG 47 -18.265 -3.739 7.145 379 HD2 ARG 47 HD2 ARG 47 -20.277 -2.526 7.699 380 HD3 ARG 47 HD1 ARG 47 -20.695 -4.156 7.171 381 HE ARG 47 HE ARG 47 -20.437 -4.047 9.991 382 HH11 ARG 47 HH11 ARG 47 -22.578 -3.151 7.389 383 HH12 ARG 47 HH12 ARG 47 -24.003 -3.209 8.373 384 HH21 ARG 47 HH21 ARG 47 -22.308 -4.127 11.288 385 HH22 ARG 47 HH22 ARG 47 -23.850 -3.766 10.585 386 H ASP 48 HN ASP 48 -17.283 -7.595 6.624 387 HA ASP 48 HA ASP 48 -17.722 -9.931 8.231 388 HB2 ASP 48 HB2 ASP 48 -17.030 -9.880 5.297 389 HB3 ASP 48 HB1 ASP 48 -17.906 -11.127 6.179 390 H GLY 49 HN GLY 49 -14.959 -8.300 7.018 391 HA2 GLY 49 HA2 GLY 49 -12.714 -8.739 7.206 392 HA3 GLY 49 HA1 GLY 49 -13.149 -9.915 8.436 393 H ASN 50 HN ASN 50 -14.525 -10.360 5.310 394 HA ASN 50 HA ASN 50 -13.338 -12.913 4.992 395 HB2 ASN 50 HB2 ASN 50 -14.583 -11.317 2.758 396 HB3 ASN 50 HB1 ASN 50 -14.552 -13.064 2.963 397 HD21 ASN 50 HD21 ASN 50 -15.264 -13.056 5.728 398 HD22 ASN 50 HD22 ASN 50 -16.929 -12.608 5.824 399 H GLY 51 HN GLY 51 -12.076 -9.879 4.540 400 HA2 GLY 51 HA2 GLY 51 -9.797 -9.560 3.895 401 HA3 GLY 51 HA1 GLY 51 -9.944 -10.945 2.818 402 H PHE 52 HN PHE 52 -12.722 -9.571 2.270 403 HA PHE 52 HA PHE 52 -11.722 -7.621 0.302 404 HB2 PHE 52 HB2 PHE 52 -14.153 -9.305 -0.226 405 HB3 PHE 52 HB1 PHE 52 -13.121 -8.462 -1.375 406 HD1 PHE 52 HD1 PHE 52 -11.001 -9.421 -2.081 407 HD2 PHE 52 HD2 PHE 52 -13.585 -11.488 0.594 408 HE1 PHE 52 HE1 PHE 52 -9.757 -11.503 -2.495 409 HE2 PHE 52 HE2 PHE 52 -12.346 -13.573 0.189 410 HZ PHE 52 HZ PHE 52 -10.428 -13.583 -1.359 411 H ILE 53 HN ILE 53 -13.015 -5.808 -0.057 412 HA ILE 53 HA ILE 53 -15.047 -5.350 2.014 413 HB ILE 53 HB ILE 53 -13.580 -3.312 0.334 414 HG12 ILE 53 HG12 ILE 53 -13.166 -3.716 3.278 415 HG13 ILE 53 HG11 ILE 53 -12.304 -4.737 2.132 416 HG21 ILE 53 HG21 ILE 53 -15.420 -3.015 2.702 417 HG22 ILE 53 HG22 ILE 53 -15.733 -2.497 1.046 418 HG23 ILE 53 HG23 ILE 53 -14.472 -1.709 1.993 419 HD11 ILE 53 HD11 ILE 53 -11.340 -2.742 1.097 420 HD12 ILE 53 HD12 ILE 53 -10.942 -2.857 2.811 421 HD13 ILE 53 HD13 ILE 53 -12.189 -1.734 2.268 422 H SER 54 HN SER 54 -17.087 -5.535 1.384 423 HA SER 54 HA SER 54 -17.827 -5.432 -1.399 424 HB2 SER 54 HB2 SER 54 -18.892 -7.051 0.113 425 HB3 SER 54 HB1 SER 54 -19.549 -5.727 1.074 426 HG SER 54 HG SER 54 -20.102 -5.679 -1.646 427 H LYS 55 HN LYS 55 -20.088 -4.182 -1.756 428 HA LYS 55 HA LYS 55 -19.450 -1.459 -1.785 429 HB2 LYS 55 HB2 LYS 55 -22.062 -2.914 -2.170 430 HB3 LYS 55 HB1 LYS 55 -21.902 -1.179 -2.383 431 HG2 LYS 55 HG2 LYS 55 -21.714 -2.024 -4.535 432 HG3 LYS 55 HG1 LYS 55 -20.042 -1.746 -4.050 433 HD2 LYS 55 HD2 LYS 55 -20.158 -3.880 -5.128 434 HD3 LYS 55 HD1 LYS 55 -19.906 -4.155 -3.404 435 HE2 LYS 55 HE2 LYS 55 -22.308 -4.577 -3.132 436 HE3 LYS 55 HE1 LYS 55 -22.545 -4.316 -4.859 437 HZ1 LYS 55 HZ1 LYS 55 -21.117 -6.213 -5.306 438 HZ2 LYS 55 HZ2 LYS 55 -22.419 -6.667 -4.326 439 HZ3 LYS 55 HZ3 LYS 55 -20.883 -6.461 -3.648 440 H GLN 56 HN GLN 56 -21.994 -3.090 0.111 441 HA GLN 56 HA GLN 56 -22.808 -0.923 1.628 442 HB2 GLN 56 HB2 GLN 56 -23.087 -3.812 1.751 443 HB3 GLN 56 HB1 GLN 56 -23.032 -3.091 3.354 444 HG2 GLN 56 HG2 GLN 56 -25.315 -3.312 2.549 445 HG3 GLN 56 HG1 GLN 56 -24.876 -1.621 2.779 446 HE21 GLN 56 HE21 GLN 56 -23.793 -3.534 0.066 447 HE22 GLN 56 HE22 GLN 56 -24.720 -2.709 -1.136 448 H GLU 57 HN GLU 57 -20.046 -3.048 2.119 449 HA GLU 57 HA GLU 57 -19.451 -2.117 4.753 450 HB2 GLU 57 HB2 GLU 57 -17.674 -3.513 2.740 451 HB3 GLU 57 HB1 GLU 57 -17.317 -3.305 4.450 452 HG2 GLU 57 HG2 GLU 57 -19.219 -4.682 5.044 453 HG3 GLU 57 HG1 GLU 57 -19.658 -4.841 3.345 454 H LEU 58 HN LEU 58 -18.115 -1.446 1.539 455 HA LEU 58 HA LEU 58 -16.179 0.421 2.304 456 HB2 LEU 58 HB2 LEU 58 -16.768 -0.742 -0.001 457 HB3 LEU 58 HB1 LEU 58 -17.684 0.726 -0.266 458 HG LEU 58 HG LEU 58 -15.398 0.712 -1.276 459 HD11 LEU 58 HD11 LEU 58 -16.643 2.791 -0.722 460 HD12 LEU 58 HD12 LEU 58 -14.890 2.972 -0.730 461 HD13 LEU 58 HD13 LEU 58 -15.756 2.857 0.801 462 HD21 LEU 58 HD21 LEU 58 -14.224 -0.491 0.478 463 HD22 LEU 58 HD22 LEU 58 -14.505 0.841 1.599 464 HD23 LEU 58 HD23 LEU 58 -13.476 1.079 0.186 465 H GLY 59 HN GLY 59 -19.619 0.638 2.038 466 HA2 GLY 59 HA2 GLY 59 -19.858 3.460 1.779 467 HA3 GLY 59 HA1 GLY 59 -21.112 2.362 2.342 468 H THR 60 HN THR 60 -19.127 1.383 4.420 469 HA THR 60 HA THR 60 -19.908 3.249 6.476 470 HB THR 60 HB THR 60 -18.187 0.767 6.695 471 HG1 THR 60 HG1 THR 60 -20.853 0.881 7.564 472 HG21 THR 60 HG21 THR 60 -18.802 0.856 9.084 473 HG22 THR 60 HG22 THR 60 -19.619 2.393 8.800 474 HG23 THR 60 HG23 THR 60 -17.873 2.270 8.583 475 H ALA 61 HN ALA 61 -17.105 2.487 4.595 476 HA ALA 61 HA ALA 61 -15.142 3.715 6.226 477 HB1 ALA 61 HB1 ALA 61 -15.136 3.274 3.241 478 HB2 ALA 61 HB2 ALA 61 -14.581 2.124 4.458 479 HB3 ALA 61 HB3 ALA 61 -13.730 3.653 4.235 480 H MET 62 HN MET 62 -16.878 4.890 3.344 481 HA MET 62 HA MET 62 -15.764 7.445 3.260 482 HB2 MET 62 HB2 MET 62 -18.436 6.406 2.330 483 HB3 MET 62 HB1 MET 62 -17.895 8.049 2.018 484 HG2 MET 62 HG2 MET 62 -16.477 5.549 1.127 485 HG3 MET 62 HG1 MET 62 -17.511 6.558 0.117 486 HE1 MET 62 HE1 MET 62 -14.025 7.399 -1.377 487 HE2 MET 62 HE2 MET 62 -15.679 6.881 -1.708 488 HE3 MET 62 HE3 MET 62 -14.587 5.825 -0.812 489 H ARG 63 HN ARG 63 -18.872 6.444 4.726 490 HA ARG 63 HA ARG 63 -19.657 8.921 5.690 491 HB2 ARG 63 HB2 ARG 63 -21.043 7.713 7.307 492 HB3 ARG 63 HB1 ARG 63 -21.133 6.980 5.712 493 HG2 ARG 63 HG2 ARG 63 -19.684 5.196 6.383 494 HG3 ARG 63 HG1 ARG 63 -19.376 5.974 7.937 495 HD2 ARG 63 HD2 ARG 63 -22.061 4.987 6.981 496 HD3 ARG 63 HD1 ARG 63 -21.006 4.133 8.107 497 HE ARG 63 HE ARG 63 -21.646 6.796 8.956 498 HH11 ARG 63 HH11 ARG 63 -22.722 3.482 8.920 499 HH12 ARG 63 HH12 ARG 63 -23.724 3.658 10.322 500 HH21 ARG 63 HH21 ARG 63 -22.963 7.036 10.801 501 HH22 ARG 63 HH22 ARG 63 -23.863 5.679 11.389 502 H SER 64 HN SER 64 -17.388 6.621 7.071 503 HA SER 64 HA SER 64 -17.131 7.640 9.635 504 HB2 SER 64 HB2 SER 64 -16.025 5.572 8.897 505 HB3 SER 64 HB1 SER 64 -14.935 6.512 7.879 506 HG SER 64 HG SER 64 -14.262 5.845 10.136 507 H LEU 65 HN LEU 65 -15.734 8.779 6.618 508 HA LEU 65 HA LEU 65 -14.137 10.809 7.899 509 HB2 LEU 65 HB2 LEU 65 -14.822 10.657 4.972 510 HB3 LEU 65 HB1 LEU 65 -13.427 11.413 5.718 511 HG LEU 65 HG LEU 65 -13.944 8.441 5.599 512 HD11 LEU 65 HD11 LEU 65 -11.957 10.133 4.092 513 HD12 LEU 65 HD12 LEU 65 -13.418 9.416 3.413 514 HD13 LEU 65 HD13 LEU 65 -12.118 8.379 4.002 515 HD21 LEU 65 HD21 LEU 65 -12.692 9.045 7.585 516 HD22 LEU 65 HD22 LEU 65 -11.575 10.006 6.617 517 HD23 LEU 65 HD23 LEU 65 -11.631 8.254 6.419 518 H GLY 66 HN GLY 66 -17.361 10.508 6.812 519 HA2 GLY 66 HA2 GLY 66 -18.876 12.269 7.651 520 HA3 GLY 66 HA1 GLY 66 -17.711 13.435 7.042 521 H TYR 67 HN TYR 67 -18.327 10.622 5.141 522 HA TYR 67 HA TYR 67 -20.107 12.175 3.381 523 HB2 TYR 67 HB2 TYR 67 -17.880 10.341 2.469 524 HB3 TYR 67 HB1 TYR 67 -18.969 11.253 1.430 525 HD1 TYR 67 HD1 TYR 67 -18.912 13.829 1.666 526 HD2 TYR 67 HD2 TYR 67 -15.848 11.263 3.124 527 HE1 TYR 67 HE1 TYR 67 -17.342 15.723 1.684 528 HE2 TYR 67 HE2 TYR 67 -14.270 13.150 3.147 529 HH TYR 67 HH TYR 67 -15.259 16.378 2.811 530 H MET 68 HN MET 68 -22.017 11.177 3.705 531 HA MET 68 HA MET 68 -22.170 8.295 3.972 532 HB2 MET 68 HB2 MET 68 -24.420 10.305 3.864 533 HB3 MET 68 HB1 MET 68 -24.521 8.642 4.424 534 HG2 MET 68 HG2 MET 68 -23.052 9.173 6.295 535 HG3 MET 68 HG1 MET 68 -22.930 10.838 5.730 536 HE1 MET 68 HE1 MET 68 -23.722 11.832 8.071 537 HE2 MET 68 HE2 MET 68 -23.721 10.176 8.678 538 HE3 MET 68 HE3 MET 68 -25.121 11.213 8.950 539 HA PRO 69 HA PRO 69 -23.027 8.117 -0.472 540 HB2 PRO 69 HB2 PRO 69 -22.070 5.675 -0.920 541 HB3 PRO 69 HB1 PRO 69 -20.977 7.022 -0.580 542 HG2 PRO 69 HG2 PRO 69 -21.863 4.803 1.203 543 HG3 PRO 69 HG1 PRO 69 -20.286 5.601 1.102 544 HD2 PRO 69 HD2 PRO 69 -22.303 6.146 2.977 545 HD3 PRO 69 HD1 PRO 69 -20.883 7.154 2.643 546 H ASN 70 HN ASN 70 -24.759 7.314 -1.597 547 HA ASN 70 HA ASN 70 -26.640 5.675 -0.094 548 HB2 ASN 70 HB2 ASN 70 -28.212 6.241 -1.976 549 HB3 ASN 70 HB1 ASN 70 -27.620 7.627 -1.066 550 HD21 ASN 70 HD21 ASN 70 -26.124 9.013 -2.013 551 HD22 ASN 70 HD22 ASN 70 -25.879 9.052 -3.721 552 H GLU 71 HN GLU 71 -28.017 4.209 -1.743 553 HA GLU 71 HA GLU 71 -26.384 2.018 -2.340 554 HB2 GLU 71 HB2 GLU 71 -28.361 1.080 -3.473 555 HB3 GLU 71 HB1 GLU 71 -28.763 1.770 -1.907 556 HG2 GLU 71 HG2 GLU 71 -29.618 3.775 -3.010 557 HG3 GLU 71 HG1 GLU 71 -29.220 3.077 -4.579 558 H VAL 72 HN VAL 72 -27.126 4.823 -4.214 559 HA VAL 72 HA VAL 72 -26.278 3.580 -6.710 560 HB VAL 72 HB VAL 72 -26.916 6.496 -6.315 561 HG11 VAL 72 HG11 VAL 72 -25.851 5.911 -8.416 562 HG12 VAL 72 HG12 VAL 72 -27.530 6.378 -8.687 563 HG13 VAL 72 HG13 VAL 72 -27.073 4.674 -8.713 564 HG21 VAL 72 HG21 VAL 72 -29.232 5.964 -6.970 565 HG22 VAL 72 HG22 VAL 72 -28.789 5.254 -5.417 566 HG23 VAL 72 HG23 VAL 72 -28.849 4.246 -6.864 567 H GLU 73 HN GLU 73 -24.943 5.478 -4.160 568 HA GLU 73 HA GLU 73 -22.732 6.456 -5.769 569 HB2 GLU 73 HB2 GLU 73 -23.588 6.839 -2.923 570 HB3 GLU 73 HB1 GLU 73 -21.961 7.276 -3.424 571 HG2 GLU 73 HG2 GLU 73 -24.493 8.338 -4.657 572 HG3 GLU 73 HG1 GLU 73 -23.521 9.174 -3.446 573 H LEU 74 HN LEU 74 -23.050 4.393 -2.863 574 HA LEU 74 HA LEU 74 -20.382 3.677 -2.649 575 HB2 LEU 74 HB2 LEU 74 -21.031 2.205 -1.048 576 HB3 LEU 74 HB1 LEU 74 -22.478 3.186 -1.138 577 HG LEU 74 HG LEU 74 -22.108 0.504 -2.474 578 HD11 LEU 74 HD11 LEU 74 -23.617 -0.350 -0.810 579 HD12 LEU 74 HD12 LEU 74 -23.793 1.252 -0.096 580 HD13 LEU 74 HD13 LEU 74 -22.246 0.414 -0.007 581 HD21 LEU 74 HD21 LEU 74 -23.618 1.967 -3.711 582 HD22 LEU 74 HD22 LEU 74 -24.548 2.244 -2.240 583 HD23 LEU 74 HD23 LEU 74 -24.481 0.632 -2.949 584 H GLU 75 HN GLU 75 -22.581 2.817 -5.087 585 HA GLU 75 HA GLU 75 -21.320 0.333 -5.821 586 HB2 GLU 75 HB2 GLU 75 -23.397 2.067 -7.144 587 HB3 GLU 75 HB1 GLU 75 -22.730 0.646 -7.934 588 HG2 GLU 75 HG2 GLU 75 -23.472 -0.686 -5.945 589 HG3 GLU 75 HG1 GLU 75 -24.320 0.754 -5.390 590 H VAL 76 HN VAL 76 -21.365 3.638 -7.148 591 HA VAL 76 HA VAL 76 -19.613 3.037 -9.297 592 HB VAL 76 HB VAL 76 -19.437 5.442 -9.644 593 HG11 VAL 76 HG11 VAL 76 -22.237 4.552 -8.964 594 HG12 VAL 76 HG12 VAL 76 -21.402 4.285 -10.494 595 HG13 VAL 76 HG13 VAL 76 -21.815 5.924 -9.988 596 HG21 VAL 76 HG21 VAL 76 -19.315 6.065 -7.244 597 HG22 VAL 76 HG22 VAL 76 -21.047 5.755 -7.114 598 HG23 VAL 76 HG23 VAL 76 -20.458 7.041 -8.166 599 H ILE 77 HN ILE 77 -19.074 3.748 -5.979 600 HA ILE 77 HA ILE 77 -16.365 4.668 -6.332 601 HB ILE 77 HB ILE 77 -17.812 3.807 -3.824 602 HG12 ILE 77 HG12 ILE 77 -17.146 6.643 -4.310 603 HG13 ILE 77 HG11 ILE 77 -18.376 5.968 -5.373 604 HG21 ILE 77 HG21 ILE 77 -15.399 3.639 -3.561 605 HG22 ILE 77 HG22 ILE 77 -16.026 5.004 -2.636 606 HG23 ILE 77 HG23 ILE 77 -15.203 5.283 -4.172 607 HD11 ILE 77 HD11 ILE 77 -18.450 5.972 -2.368 608 HD12 ILE 77 HD12 ILE 77 -19.680 5.289 -3.432 609 HD13 ILE 77 HD13 ILE 77 -19.374 7.024 -3.439 610 H ILE 78 HN ILE 78 -17.978 1.637 -5.826 611 HA ILE 78 HA ILE 78 -15.604 0.228 -4.997 612 HB ILE 78 HB ILE 78 -18.428 -0.587 -5.587 613 HG12 ILE 78 HG12 ILE 78 -17.800 0.325 -3.365 614 HG13 ILE 78 HG11 ILE 78 -18.398 -1.329 -3.282 615 HG21 ILE 78 HG21 ILE 78 -17.781 -2.939 -5.056 616 HG22 ILE 78 HG22 ILE 78 -16.093 -2.461 -5.243 617 HG23 ILE 78 HG23 ILE 78 -17.196 -2.358 -6.615 618 HD11 ILE 78 HD11 ILE 78 -15.539 -0.416 -3.093 619 HD12 ILE 78 HD12 ILE 78 -16.034 -2.105 -3.197 620 HD13 ILE 78 HD13 ILE 78 -16.530 -1.125 -1.818 621 H GLN 79 HN GLN 79 -17.162 0.979 -8.019 622 HA GLN 79 HA GLN 79 -15.905 -1.179 -9.462 623 HB2 GLN 79 HB2 GLN 79 -16.920 -0.226 -11.435 624 HB3 GLN 79 HB1 GLN 79 -18.106 -0.270 -10.138 625 HG2 GLN 79 HG2 GLN 79 -17.825 2.087 -9.739 626 HG3 GLN 79 HG1 GLN 79 -16.520 2.164 -10.922 627 HE21 GLN 79 HE21 GLN 79 -19.041 3.621 -10.837 628 HE22 GLN 79 HE22 GLN 79 -19.854 3.264 -12.320 629 H ARG 80 HN ARG 80 -14.858 1.788 -8.292 630 HA ARG 80 HA ARG 80 -13.108 2.465 -10.479 631 HB2 ARG 80 HB2 ARG 80 -13.125 3.484 -7.631 632 HB3 ARG 80 HB1 ARG 80 -12.227 4.184 -8.970 633 HG2 ARG 80 HG2 ARG 80 -15.222 3.959 -8.922 634 HG3 ARG 80 HG1 ARG 80 -14.338 5.372 -8.348 635 HD2 ARG 80 HD2 ARG 80 -14.935 5.898 -10.552 636 HD3 ARG 80 HD1 ARG 80 -13.244 5.411 -10.653 637 HE ARG 80 HE ARG 80 -14.446 3.114 -11.206 638 HH11 ARG 80 HH11 ARG 80 -15.128 6.329 -12.365 639 HH12 ARG 80 HH12 ARG 80 -15.751 5.786 -13.887 640 HH21 ARG 80 HH21 ARG 80 -15.262 2.391 -13.208 641 HH22 ARG 80 HH22 ARG 80 -15.827 3.548 -14.367 642 H LEU 81 HN LEU 81 -12.910 0.694 -7.475 643 HA LEU 81 HA LEU 81 -10.030 0.299 -7.830 644 HB2 LEU 81 HB2 LEU 81 -11.607 -0.807 -5.540 645 HB3 LEU 81 HB1 LEU 81 -9.921 -0.333 -5.592 646 HG LEU 81 HG LEU 81 -12.296 1.530 -5.537 647 HD11 LEU 81 HD11 LEU 81 -11.443 2.172 -3.349 648 HD12 LEU 81 HD12 LEU 81 -10.149 0.982 -3.495 649 HD13 LEU 81 HD13 LEU 81 -11.829 0.452 -3.399 650 HD21 LEU 81 HD21 LEU 81 -9.347 2.152 -5.627 651 HD22 LEU 81 HD22 LEU 81 -10.636 3.327 -5.369 652 HD23 LEU 81 HD23 LEU 81 -10.521 2.469 -6.905 653 H ASP 82 HN ASP 82 -13.079 -1.455 -7.660 654 HA ASP 82 HA ASP 82 -11.912 -4.045 -7.931 655 HB2 ASP 82 HB2 ASP 82 -14.101 -3.748 -6.886 656 HB3 ASP 82 HB1 ASP 82 -14.752 -3.108 -8.392 657 H MET 83 HN MET 83 -10.516 -3.713 -9.729 658 HA MET 83 HA MET 83 -11.547 -3.058 -12.313 659 HB2 MET 83 HB2 MET 83 -8.911 -4.369 -11.646 660 HB3 MET 83 HB1 MET 83 -9.317 -3.489 -13.114 661 HG2 MET 83 HG2 MET 83 -9.533 -1.430 -11.831 662 HG3 MET 83 HG1 MET 83 -9.154 -2.306 -10.351 663 HE1 MET 83 HE1 MET 83 -7.791 -0.912 -13.751 664 HE2 MET 83 HE2 MET 83 -7.607 -2.655 -13.951 665 HE3 MET 83 HE3 MET 83 -6.180 -1.626 -13.812 666 H ASP 84 HN ASP 84 -10.663 -6.072 -10.675 667 HA ASP 84 HA ASP 84 -11.017 -7.733 -12.949 668 HB2 ASP 84 HB2 ASP 84 -10.968 -9.600 -11.352 669 HB3 ASP 84 HB1 ASP 84 -9.669 -8.453 -11.045 670 H GLY 85 HN GLY 85 -13.215 -6.368 -10.649 671 HA2 GLY 85 HA2 GLY 85 -15.528 -6.238 -10.845 672 HA3 GLY 85 HA1 GLY 85 -15.451 -7.372 -12.181 673 H ASP 86 HN ASP 86 -14.343 -7.709 -8.811 674 HA ASP 86 HA ASP 86 -15.931 -10.165 -8.632 675 HB2 ASP 86 HB2 ASP 86 -14.555 -10.754 -6.727 676 HB3 ASP 86 HB1 ASP 86 -13.513 -10.278 -8.065 677 H GLY 87 HN GLY 87 -16.618 -7.115 -8.177 678 HA2 GLY 87 HA2 GLY 87 -18.373 -6.139 -7.031 679 HA3 GLY 87 HA1 GLY 87 -18.610 -7.652 -6.173 680 H GLN 88 HN GLN 88 -15.576 -7.413 -5.535 681 HA GLN 88 HA GLN 88 -15.833 -5.410 -3.393 682 HB2 GLN 88 HB2 GLN 88 -14.594 -8.152 -3.116 683 HB3 GLN 88 HB1 GLN 88 -14.685 -6.927 -1.857 684 HG2 GLN 88 HG2 GLN 88 -17.126 -7.066 -1.905 685 HG3 GLN 88 HG1 GLN 88 -17.026 -8.302 -3.157 686 HE21 GLN 88 HE21 GLN 88 -16.301 -10.360 -2.621 687 HE22 GLN 88 HE22 GLN 88 -16.232 -10.914 -0.986 688 H VAL 89 HN VAL 89 -13.745 -4.711 -2.486 689 HA VAL 89 HA VAL 89 -11.791 -4.382 -4.627 690 HB VAL 89 HB VAL 89 -11.889 -3.044 -1.920 691 HG11 VAL 89 HG11 VAL 89 -10.286 -2.419 -4.397 692 HG12 VAL 89 HG12 VAL 89 -9.660 -3.042 -2.870 693 HG13 VAL 89 HG13 VAL 89 -10.348 -1.420 -2.945 694 HG21 VAL 89 HG21 VAL 89 -12.782 -1.101 -3.112 695 HG22 VAL 89 HG22 VAL 89 -13.859 -2.490 -3.248 696 HG23 VAL 89 HG23 VAL 89 -12.828 -2.037 -4.605 697 H ASP 90 HN ASP 90 -9.925 -5.450 -4.693 698 HA ASP 90 HA ASP 90 -9.214 -7.175 -2.461 699 HB2 ASP 90 HB2 ASP 90 -8.100 -6.956 -5.261 700 HB3 ASP 90 HB1 ASP 90 -7.519 -8.096 -4.051 701 H PHE 91 HN PHE 91 -7.183 -7.199 -1.465 702 HA PHE 91 HA PHE 91 -6.136 -4.813 -0.638 703 HB2 PHE 91 HB2 PHE 91 -5.716 -6.970 0.462 704 HB3 PHE 91 HB1 PHE 91 -4.664 -7.444 -0.865 705 HD1 PHE 91 HD2 PHE 91 -4.931 -4.267 1.077 706 HD2 PHE 91 HD1 PHE 91 -2.521 -7.583 -0.066 707 HE1 PHE 91 HE2 PHE 91 -3.012 -3.268 2.246 708 HE2 PHE 91 HE1 PHE 91 -0.596 -6.591 1.106 709 HZ PHE 91 HZ PHE 91 -0.841 -4.433 2.264 710 H GLU 92 HN GLU 92 -4.655 -6.931 -3.102 711 HA GLU 92 HA GLU 92 -2.493 -5.344 -3.768 712 HB2 GLU 92 HB2 GLU 92 -4.132 -7.155 -5.544 713 HB3 GLU 92 HB1 GLU 92 -2.573 -6.479 -5.994 714 HG2 GLU 92 HG2 GLU 92 -1.543 -7.633 -4.087 715 HG3 GLU 92 HG1 GLU 92 -3.108 -8.343 -3.691 716 H GLU 93 HN GLU 93 -5.642 -5.389 -5.466 717 HA GLU 93 HA GLU 93 -5.125 -3.362 -7.271 718 HB2 GLU 93 HB2 GLU 93 -7.742 -4.023 -5.908 719 HB3 GLU 93 HB1 GLU 93 -7.582 -3.025 -7.347 720 HG2 GLU 93 HG2 GLU 93 -6.765 -4.879 -8.619 721 HG3 GLU 93 HG1 GLU 93 -6.688 -5.892 -7.178 722 H PHE 94 HN PHE 94 -5.680 -3.128 -3.864 723 HA PHE 94 HA PHE 94 -6.267 -0.282 -3.993 724 HB2 PHE 94 HB2 PHE 94 -7.473 -1.763 -2.399 725 HB3 PHE 94 HB1 PHE 94 -5.951 -2.040 -1.557 726 HD1 PHE 94 HD2 PHE 94 -8.293 0.653 -2.586 727 HD2 PHE 94 HD1 PHE 94 -5.265 -0.600 0.128 728 HE1 PHE 94 HE2 PHE 94 -8.686 2.664 -1.225 729 HE2 PHE 94 HE1 PHE 94 -5.654 1.409 1.495 730 HZ PHE 94 HZ PHE 94 -7.365 3.044 0.819 731 H VAL 95 HN VAL 95 -3.604 -2.406 -3.056 732 HA VAL 95 HA VAL 95 -2.070 -0.427 -1.742 733 HB VAL 95 HB VAL 95 -0.152 -1.905 -2.009 734 HG11 VAL 95 HG11 VAL 95 -1.651 -2.376 -0.204 735 HG12 VAL 95 HG12 VAL 95 -1.088 -3.900 -0.891 736 HG13 VAL 95 HG13 VAL 95 -2.704 -3.307 -1.268 737 HG21 VAL 95 HG21 VAL 95 -0.208 -3.934 -3.250 738 HG22 VAL 95 HG22 VAL 95 -0.698 -2.630 -4.334 739 HG23 VAL 95 HG23 VAL 95 -1.909 -3.707 -3.643 740 H THR 96 HN THR 96 -2.425 -1.305 -5.121 741 HA THR 96 HA THR 96 -0.148 0.182 -6.000 742 HB THR 96 HB THR 96 -2.511 -0.810 -7.606 743 HG1 THR 96 HG1 THR 96 0.004 -2.061 -7.606 744 HG21 THR 96 HG21 THR 96 -1.252 0.925 -8.770 745 HG22 THR 96 HG22 THR 96 -0.976 -0.646 -9.520 746 HG23 THR 96 HG23 THR 96 0.253 0.056 -8.467 747 H LEU 97 HN LEU 97 -3.666 0.736 -6.029 748 HA LEU 97 HA LEU 97 -3.563 3.243 -7.315 749 HB2 LEU 97 HB2 LEU 97 -5.625 2.119 -5.421 750 HB3 LEU 97 HB1 LEU 97 -5.843 3.569 -6.382 751 HG LEU 97 HG LEU 97 -5.382 0.812 -7.527 752 HD11 LEU 97 HD11 LEU 97 -7.745 0.869 -8.128 753 HD12 LEU 97 HD12 LEU 97 -7.929 2.405 -7.283 754 HD13 LEU 97 HD13 LEU 97 -7.529 0.944 -6.379 755 HD21 LEU 97 HD21 LEU 97 -4.608 2.596 -8.989 756 HD22 LEU 97 HD22 LEU 97 -6.160 3.421 -8.828 757 HD23 LEU 97 HD23 LEU 97 -6.073 1.856 -9.637 758 H LEU 98 HN LEU 98 -2.640 2.328 -4.180 759 HA LEU 98 HA LEU 98 -2.844 5.101 -3.214 760 HB2 LEU 98 HB2 LEU 98 -3.894 3.211 -1.884 761 HB3 LEU 98 HB1 LEU 98 -2.266 2.652 -1.556 762 HG LEU 98 HG LEU 98 -2.926 5.477 -0.875 763 HD11 LEU 98 HD11 LEU 98 -3.842 4.806 1.281 764 HD12 LEU 98 HD12 LEU 98 -3.772 3.113 0.795 765 HD13 LEU 98 HD13 LEU 98 -4.855 4.225 -0.041 766 HD21 LEU 98 HD21 LEU 98 -1.304 3.355 0.525 767 HD22 LEU 98 HD22 LEU 98 -1.371 5.068 0.932 768 HD23 LEU 98 HD23 LEU 98 -0.652 4.551 -0.591 769 H GLY 99 HN GLY 99 -0.645 2.590 -4.107 770 HA2 GLY 99 HA2 GLY 99 1.594 3.551 -4.729 771 HA3 GLY 99 HA1 GLY 99 1.609 4.219 -3.107 772 HA PRO 100 HA PRO 100 2.430 -0.569 -2.951 773 HB2 PRO 100 HB2 PRO 100 3.977 -1.454 -4.983 774 HB3 PRO 100 HB1 PRO 100 2.212 -1.464 -5.063 775 HG2 PRO 100 HG2 PRO 100 4.149 0.494 -6.231 776 HG3 PRO 100 HG1 PRO 100 2.694 -0.211 -6.959 777 HD2 PRO 100 HD2 PRO 100 2.750 2.283 -5.877 778 HD3 PRO 100 HD1 PRO 100 1.293 1.270 -5.896 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 22.001 -20.106 -17.467 2 H2 MET 1 HT2 MET 1 22.733 -20.214 -18.988 3 H3 MET 1 HT3 MET 1 21.526 -21.315 -18.551 4 HA MET 1 HA MET 1 21.143 -18.399 -18.902 5 HB2 MET 1 HB2 MET 1 20.252 -20.703 -20.650 6 HB3 MET 1 HB1 MET 1 19.889 -19.004 -20.921 7 HG2 MET 1 HG2 MET 1 22.237 -18.528 -21.268 8 HG3 MET 1 HG1 MET 1 22.647 -20.206 -20.917 9 HE1 MET 1 HE1 MET 1 21.996 -22.247 -22.468 10 HE2 MET 1 HE2 MET 1 21.036 -22.094 -23.940 11 HE3 MET 1 HE3 MET 1 20.298 -21.781 -22.369 12 HA PRO 2 HA PRO 2 17.671 -20.207 -16.405 13 HB2 PRO 2 HB2 PRO 2 17.987 -18.861 -14.126 14 HB3 PRO 2 HB1 PRO 2 18.993 -20.267 -14.498 15 HG2 PRO 2 HG2 PRO 2 19.652 -17.358 -14.705 16 HG3 PRO 2 HG1 PRO 2 20.660 -18.697 -14.129 17 HD2 PRO 2 HD2 PRO 2 20.777 -17.593 -16.673 18 HD3 PRO 2 HD1 PRO 2 21.368 -19.207 -16.235 19 H PHE 3 HN PHE 3 18.476 -17.291 -17.776 20 HA PHE 3 HA PHE 3 16.054 -15.932 -16.826 21 HB2 PHE 3 HB2 PHE 3 17.009 -13.892 -17.763 22 HB3 PHE 3 HB1 PHE 3 18.162 -14.660 -16.677 23 HD1 PHE 3 HD1 PHE 3 20.092 -15.911 -17.625 24 HD2 PHE 3 HD2 PHE 3 17.505 -13.552 -20.041 25 HE1 PHE 3 HE1 PHE 3 21.789 -15.883 -19.406 26 HE2 PHE 3 HE2 PHE 3 19.196 -13.519 -21.828 27 HZ PHE 3 HZ PHE 3 21.342 -14.686 -21.512 28 H HIS 4 HN HIS 4 16.606 -18.103 -19.031 29 HA HIS 4 HA HIS 4 15.886 -17.008 -21.509 30 HB2 HIS 4 HB2 HIS 4 15.328 -19.301 -22.159 31 HB3 HIS 4 HB1 HIS 4 16.832 -19.266 -21.246 32 HD1 HIS 4 HD1 HIS 4 16.377 -19.770 -18.528 33 HD2 HIS 4 HD2 HIS 4 13.649 -21.230 -21.301 34 HE1 HIS 4 HE1 HIS 4 15.130 -21.604 -17.342 35 HE2 HIS 4 HE2 HIS 4 13.563 -22.545 -19.076 36 HA PRO 5 HA PRO 5 11.583 -16.071 -21.291 37 HB2 PRO 5 HB2 PRO 5 10.634 -17.240 -23.604 38 HB3 PRO 5 HB1 PRO 5 11.435 -15.668 -23.530 39 HG2 PRO 5 HG2 PRO 5 12.562 -18.336 -24.266 40 HG3 PRO 5 HG1 PRO 5 12.865 -16.749 -24.998 41 HD2 PRO 5 HD2 PRO 5 14.627 -17.876 -23.320 42 HD3 PRO 5 HD1 PRO 5 14.344 -16.122 -23.323 43 H VAL 6 HN VAL 6 9.530 -16.960 -20.842 44 HA VAL 6 HA VAL 6 9.563 -19.861 -20.320 45 HB VAL 6 HB VAL 6 7.919 -19.400 -18.509 46 HG11 VAL 6 HG11 VAL 6 10.273 -19.699 -17.986 47 HG12 VAL 6 HG12 VAL 6 9.554 -18.496 -16.916 48 HG13 VAL 6 HG13 VAL 6 10.571 -17.984 -18.264 49 HG21 VAL 6 HG21 VAL 6 7.047 -17.276 -19.329 50 HG22 VAL 6 HG22 VAL 6 8.615 -16.514 -19.061 51 HG23 VAL 6 HG23 VAL 6 7.674 -17.100 -17.690 52 H THR 7 HN THR 7 7.954 -21.093 -21.089 53 HA THR 7 HA THR 7 6.163 -21.750 -22.319 54 HB THR 7 HB THR 7 4.900 -19.164 -21.394 55 HG1 THR 7 HG1 THR 7 4.133 -21.393 -20.061 56 HG21 THR 7 HG21 THR 7 3.680 -20.246 -23.216 57 HG22 THR 7 HG22 THR 7 2.786 -20.373 -21.700 58 HG23 THR 7 HG23 THR 7 3.674 -21.765 -22.320 59 H ALA 8 HN ALA 8 5.442 -18.339 -22.846 60 HA ALA 8 HA ALA 8 6.672 -18.290 -25.453 61 HB1 ALA 8 HB1 ALA 8 4.603 -17.958 -26.710 62 HB2 ALA 8 HB2 ALA 8 3.662 -18.259 -25.249 63 HB3 ALA 8 HB3 ALA 8 4.642 -19.548 -25.949 64 H ALA 9 HN ALA 9 7.499 -16.321 -25.564 65 HA ALA 9 HA ALA 9 6.666 -14.170 -23.921 66 HB1 ALA 9 HB1 ALA 9 8.972 -14.435 -24.739 67 HB2 ALA 9 HB2 ALA 9 8.307 -12.847 -25.117 68 HB3 ALA 9 HB3 ALA 9 8.418 -14.078 -26.375 69 H LEU 10 HN LEU 10 5.799 -15.206 -27.123 70 HA LEU 10 HA LEU 10 4.421 -12.698 -27.693 71 HB2 LEU 10 HB2 LEU 10 5.705 -13.727 -29.493 72 HB3 LEU 10 HB1 LEU 10 4.766 -15.199 -29.349 73 HG LEU 10 HG LEU 10 2.743 -13.943 -30.049 74 HD11 LEU 10 HD11 LEU 10 3.012 -11.722 -31.038 75 HD12 LEU 10 HD12 LEU 10 4.698 -11.699 -30.524 76 HD13 LEU 10 HD13 LEU 10 3.410 -11.720 -29.321 77 HD21 LEU 10 HD21 LEU 10 4.058 -15.198 -31.678 78 HD22 LEU 10 HD22 LEU 10 5.072 -13.783 -31.960 79 HD23 LEU 10 HD23 LEU 10 3.365 -13.747 -32.401 80 H MET 11 HN MET 11 2.766 -12.769 -26.155 81 HA MET 11 HA MET 11 0.683 -14.782 -26.693 82 HB2 MET 11 HB2 MET 11 1.719 -15.151 -24.496 83 HB3 MET 11 HB1 MET 11 1.353 -13.493 -24.040 84 HG2 MET 11 HG2 MET 11 -0.226 -15.050 -23.054 85 HG3 MET 11 HG1 MET 11 -1.028 -13.961 -24.184 86 HE1 MET 11 HE1 MET 11 -2.513 -16.526 -23.179 87 HE2 MET 11 HE2 MET 11 -3.156 -17.163 -24.693 88 HE3 MET 11 HE3 MET 11 -3.168 -15.425 -24.391 89 H TYR 12 HN TYR 12 -1.488 -14.082 -26.514 90 HA TYR 12 HA TYR 12 -2.011 -11.550 -27.606 91 HB2 TYR 12 HB2 TYR 12 -3.875 -13.480 -26.213 92 HB3 TYR 12 HB1 TYR 12 -4.397 -12.081 -27.143 93 HD1 TYR 12 HD2 TYR 12 -2.575 -15.306 -27.416 94 HD2 TYR 12 HD1 TYR 12 -4.666 -12.224 -29.470 95 HE1 TYR 12 HE2 TYR 12 -2.568 -16.672 -29.461 96 HE2 TYR 12 HE1 TYR 12 -4.666 -13.582 -31.520 97 HH TYR 12 HH TYR 12 -3.382 -15.421 -32.511 98 H ARG 13 HN ARG 13 -1.370 -12.454 -24.404 99 HA ARG 13 HA ARG 13 -1.789 -9.779 -23.462 100 HB2 ARG 13 HB2 ARG 13 -3.342 -10.404 -21.630 101 HB3 ARG 13 HB1 ARG 13 -4.066 -10.549 -23.225 102 HG2 ARG 13 HG2 ARG 13 -3.596 -12.988 -23.152 103 HG3 ARG 13 HG1 ARG 13 -3.048 -12.783 -21.486 104 HD2 ARG 13 HD2 ARG 13 -5.799 -12.142 -22.545 105 HD3 ARG 13 HD1 ARG 13 -5.366 -13.544 -21.568 106 HE ARG 13 HE ARG 13 -4.585 -11.418 -20.059 107 HH11 ARG 13 HH11 ARG 13 -7.577 -12.363 -21.577 108 HH12 ARG 13 HH12 ARG 13 -8.573 -11.602 -20.381 109 HH21 ARG 13 HH21 ARG 13 -5.888 -10.417 -18.480 110 HH22 ARG 13 HH22 ARG 13 -7.612 -10.494 -18.621 111 H GLY 14 HN GLY 14 -0.733 -9.357 -21.510 112 HA2 GLY 14 HA2 GLY 14 0.805 -11.619 -20.397 113 HA3 GLY 14 HA1 GLY 14 1.563 -10.072 -20.743 114 H ILE 15 HN ILE 15 2.204 -9.774 -18.599 115 HA ILE 15 HA ILE 15 0.064 -8.807 -16.859 116 HB ILE 15 HB ILE 15 0.452 -11.135 -16.166 117 HG12 ILE 15 HG12 ILE 15 0.996 -10.658 -13.762 118 HG13 ILE 15 HG11 ILE 15 1.425 -9.018 -14.237 119 HG21 ILE 15 HG21 ILE 15 2.755 -11.382 -16.876 120 HG22 ILE 15 HG22 ILE 15 2.599 -11.778 -15.164 121 HG23 ILE 15 HG23 ILE 15 3.279 -10.225 -15.652 122 HD11 ILE 15 HD11 ILE 15 -0.820 -9.127 -13.310 123 HD12 ILE 15 HD12 ILE 15 -1.285 -10.289 -14.553 124 HD13 ILE 15 HD13 ILE 15 -0.853 -8.639 -15.004 125 H TYR 16 HN TYR 16 0.685 -7.185 -15.442 126 HA TYR 16 HA TYR 16 3.386 -6.108 -15.896 127 HB2 TYR 16 HB2 TYR 16 2.409 -3.922 -15.194 128 HB3 TYR 16 HB1 TYR 16 1.674 -4.584 -16.651 129 HD1 TYR 16 HD2 TYR 16 -0.610 -5.488 -16.588 130 HD2 TYR 16 HD1 TYR 16 1.144 -3.668 -13.166 131 HE1 TYR 16 HE2 TYR 16 -2.835 -5.290 -15.562 132 HE2 TYR 16 HE1 TYR 16 -1.077 -3.463 -12.130 133 HH TYR 16 HH TYR 16 -3.809 -5.082 -13.303 134 H THR 17 HN THR 17 4.394 -4.970 -14.077 135 HA THR 17 HA THR 17 3.480 -5.765 -11.423 136 HB THR 17 HB THR 17 4.924 -7.611 -12.004 137 HG1 THR 17 HG1 THR 17 5.237 -7.072 -9.898 138 HG21 THR 17 HG21 THR 17 7.026 -5.526 -12.614 139 HG22 THR 17 HG22 THR 17 6.205 -6.548 -13.794 140 HG23 THR 17 HG23 THR 17 7.281 -7.272 -12.600 141 H VAL 18 HN VAL 18 5.567 -3.866 -13.479 142 HA VAL 18 HA VAL 18 6.304 -2.139 -11.233 143 HB VAL 18 HB VAL 18 7.792 -1.025 -12.970 144 HG11 VAL 18 HG11 VAL 18 9.502 -2.775 -12.809 145 HG12 VAL 18 HG12 VAL 18 8.267 -3.930 -12.308 146 HG13 VAL 18 HG13 VAL 18 8.654 -2.550 -11.280 147 HG21 VAL 18 HG21 VAL 18 8.345 -2.374 -14.948 148 HG22 VAL 18 HG22 VAL 18 6.665 -1.838 -14.969 149 HG23 VAL 18 HG23 VAL 18 7.054 -3.502 -14.530 150 HA PRO 19 HA PRO 19 3.238 0.720 -12.836 151 HB2 PRO 19 HB2 PRO 19 3.299 2.314 -10.560 152 HB3 PRO 19 HB1 PRO 19 2.267 0.903 -10.797 153 HG2 PRO 19 HG2 PRO 19 4.432 1.201 -8.962 154 HG3 PRO 19 HG1 PRO 19 3.430 -0.231 -9.235 155 HD2 PRO 19 HD2 PRO 19 6.139 0.388 -10.226 156 HD3 PRO 19 HD1 PRO 19 5.340 -1.184 -10.022 157 H ASN 20 HN ASN 20 5.776 2.229 -10.827 158 HA ASN 20 HA ASN 20 6.352 4.061 -13.056 159 HB2 ASN 20 HB2 ASN 20 6.124 4.816 -10.134 160 HB3 ASN 20 HB1 ASN 20 6.639 5.895 -11.426 161 HD21 ASN 20 HD21 ASN 20 4.377 6.089 -9.592 162 HD22 ASN 20 HD22 ASN 20 2.969 6.205 -10.586 163 H LEU 21 HN LEU 21 8.234 3.051 -13.650 164 HA LEU 21 HA LEU 21 10.428 3.243 -11.718 165 HB2 LEU 21 HB2 LEU 21 11.315 1.139 -12.269 166 HB3 LEU 21 HB1 LEU 21 9.611 0.883 -11.971 167 HG LEU 21 HG LEU 21 10.042 -0.456 -13.814 168 HD11 LEU 21 HD11 LEU 21 8.095 0.899 -14.251 169 HD12 LEU 21 HD12 LEU 21 8.968 0.598 -15.753 170 HD13 LEU 21 HD13 LEU 21 9.100 2.164 -14.956 171 HD21 LEU 21 HD21 LEU 21 12.324 0.486 -14.178 172 HD22 LEU 21 HD22 LEU 21 11.579 1.756 -15.147 173 HD23 LEU 21 HD23 LEU 21 11.452 0.071 -15.653 174 H LEU 22 HN LEU 22 9.203 4.155 -14.633 175 HA LEU 22 HA LEU 22 11.435 4.122 -16.334 176 HB2 LEU 22 HB2 LEU 22 10.270 5.699 -17.685 177 HB3 LEU 22 HB1 LEU 22 9.083 4.594 -17.022 178 HG LEU 22 HG LEU 22 9.624 7.315 -15.837 179 HD11 LEU 22 HD11 LEU 22 7.539 6.513 -17.862 180 HD12 LEU 22 HD12 LEU 22 8.889 7.617 -18.128 181 HD13 LEU 22 HD13 LEU 22 7.598 8.056 -17.010 182 HD21 LEU 22 HD21 LEU 22 7.367 5.338 -15.536 183 HD22 LEU 22 HD22 LEU 22 7.370 6.972 -14.872 184 HD23 LEU 22 HD23 LEU 22 8.552 5.790 -14.311 185 H SER 23 HN SER 23 10.636 6.132 -13.636 186 HA SER 23 HA SER 23 12.860 7.943 -14.297 187 HB2 SER 23 HB2 SER 23 10.739 9.109 -14.016 188 HB3 SER 23 HB1 SER 23 10.514 8.366 -12.433 189 HG SER 23 HG SER 23 11.842 9.770 -11.590 190 H GLU 24 HN GLU 24 11.340 6.302 -11.518 191 HA GLU 24 HA GLU 24 13.510 6.771 -9.757 192 HB2 GLU 24 HB2 GLU 24 11.284 4.730 -9.660 193 HB3 GLU 24 HB1 GLU 24 12.432 4.992 -8.356 194 HG2 GLU 24 HG2 GLU 24 10.451 6.161 -7.805 195 HG3 GLU 24 HG1 GLU 24 11.659 7.362 -8.254 196 H GLN 25 HN GLN 25 13.036 4.553 -12.296 197 HA GLN 25 HA GLN 25 14.270 2.850 -13.139 198 HB2 GLN 25 HB2 GLN 25 16.100 4.511 -12.871 199 HB3 GLN 25 HB1 GLN 25 16.443 3.820 -11.291 200 HG2 GLN 25 HG2 GLN 25 17.991 2.958 -12.921 201 HG3 GLN 25 HG1 GLN 25 16.934 1.665 -12.354 202 HE21 GLN 25 HE21 GLN 25 17.308 0.426 -14.185 203 HE22 GLN 25 HE22 GLN 25 16.629 0.822 -15.723 204 H ARG 26 HN ARG 26 15.949 2.693 -10.092 205 HA ARG 26 HA ARG 26 15.682 -0.041 -9.747 206 HB2 ARG 26 HB2 ARG 26 16.074 2.108 -7.659 207 HB3 ARG 26 HB1 ARG 26 16.272 0.387 -7.358 208 HG2 ARG 26 HG2 ARG 26 18.051 0.324 -9.063 209 HG3 ARG 26 HG1 ARG 26 17.884 2.070 -9.264 210 HD2 ARG 26 HD2 ARG 26 18.480 2.405 -6.923 211 HD3 ARG 26 HD1 ARG 26 18.613 0.662 -6.697 212 HE ARG 26 HE ARG 26 20.307 1.646 -8.785 213 HH11 ARG 26 HH11 ARG 26 20.020 1.199 -5.342 214 HH12 ARG 26 HH12 ARG 26 21.731 1.170 -5.073 215 HH21 ARG 26 HH21 ARG 26 22.561 1.610 -8.441 216 HH22 ARG 26 HH22 ARG 26 23.174 1.404 -6.833 217 HA PRO 27 HA PRO 27 11.567 -0.564 -8.214 218 HB2 PRO 27 HB2 PRO 27 11.751 -2.956 -7.031 219 HB3 PRO 27 HB1 PRO 27 11.944 -2.777 -8.779 220 HG2 PRO 27 HG2 PRO 27 14.032 -3.099 -6.665 221 HG3 PRO 27 HG1 PRO 27 13.949 -3.830 -8.278 222 HD2 PRO 27 HD2 PRO 27 15.465 -1.614 -7.635 223 HD3 PRO 27 HD1 PRO 27 14.906 -2.011 -9.271 224 H VAL 28 HN VAL 28 13.422 0.983 -6.458 225 HA VAL 28 HA VAL 28 13.079 0.109 -3.778 226 HB VAL 28 HB VAL 28 13.711 2.432 -3.153 227 HG11 VAL 28 HG11 VAL 28 15.417 0.733 -3.495 228 HG12 VAL 28 HG12 VAL 28 15.995 2.304 -4.048 229 HG13 VAL 28 HG13 VAL 28 15.459 1.101 -5.220 230 HG21 VAL 28 HG21 VAL 28 14.427 3.969 -4.941 231 HG22 VAL 28 HG22 VAL 28 12.696 3.634 -4.996 232 HG23 VAL 28 HG23 VAL 28 13.784 2.848 -6.140 233 H ASP 29 HN ASP 29 11.901 1.398 -2.120 234 HA ASP 29 HA ASP 29 9.744 3.073 -2.722 235 HB2 ASP 29 HB2 ASP 29 8.826 1.064 -3.819 236 HB3 ASP 29 HB1 ASP 29 8.962 0.180 -2.302 237 H ILE 30 HN ILE 30 8.333 3.434 -0.845 238 HA ILE 30 HA ILE 30 9.782 3.600 1.547 239 HB ILE 30 HB ILE 30 6.777 3.705 1.263 240 HG12 ILE 30 HG12 ILE 30 7.738 5.233 -0.344 241 HG13 ILE 30 HG11 ILE 30 7.107 6.166 1.006 242 HG21 ILE 30 HG21 ILE 30 8.645 4.882 3.312 243 HG22 ILE 30 HG22 ILE 30 7.479 3.582 3.563 244 HG23 ILE 30 HG23 ILE 30 6.917 5.216 3.211 245 HD11 ILE 30 HD11 ILE 30 9.385 6.359 1.906 246 HD12 ILE 30 HD12 ILE 30 9.229 7.054 0.293 247 HD13 ILE 30 HD13 ILE 30 9.994 5.478 0.505 248 HA PRO 31 HA PRO 31 9.563 -0.475 3.308 249 HB2 PRO 31 HB2 PRO 31 9.202 0.367 5.960 250 HB3 PRO 31 HB1 PRO 31 10.748 0.063 5.163 251 HG2 PRO 31 HG2 PRO 31 9.305 2.640 5.590 252 HG3 PRO 31 HG1 PRO 31 11.047 2.302 5.649 253 HD2 PRO 31 HD2 PRO 31 9.986 3.529 3.541 254 HD3 PRO 31 HD1 PRO 31 11.245 2.292 3.319 255 H GLU 32 HN GLU 32 8.074 -1.911 4.070 256 HA GLU 32 HA GLU 32 5.417 -1.606 3.557 257 HB2 GLU 32 HB2 GLU 32 6.552 -3.761 3.972 258 HB3 GLU 32 HB1 GLU 32 6.593 -3.394 5.691 259 HG2 GLU 32 HG2 GLU 32 4.160 -3.400 5.763 260 HG3 GLU 32 HG1 GLU 32 4.102 -3.732 4.031 261 H ASP 33 HN ASP 33 7.072 -0.226 6.204 262 HA ASP 33 HA ASP 33 5.288 -0.173 8.267 263 HB2 ASP 33 HB2 ASP 33 7.499 0.866 8.375 264 HB3 ASP 33 HB1 ASP 33 6.972 2.134 7.274 265 H GLU 34 HN GLU 34 5.338 2.129 5.536 266 HA GLU 34 HA GLU 34 2.964 3.463 6.373 267 HB2 GLU 34 HB2 GLU 34 3.061 4.625 4.252 268 HB3 GLU 34 HB1 GLU 34 4.675 4.535 4.945 269 HG2 GLU 34 HG2 GLU 34 5.415 3.027 3.366 270 HG3 GLU 34 HG1 GLU 34 3.787 2.475 2.979 271 H LEU 35 HN LEU 35 3.555 0.546 4.716 272 HA LEU 35 HA LEU 35 1.092 0.494 3.224 273 HB2 LEU 35 HB2 LEU 35 3.191 -0.748 2.583 274 HB3 LEU 35 HB1 LEU 35 2.865 -1.843 3.913 275 HG LEU 35 HG LEU 35 0.514 -2.041 2.673 276 HD11 LEU 35 HD11 LEU 35 2.451 -1.446 0.441 277 HD12 LEU 35 HD12 LEU 35 1.107 -0.417 0.938 278 HD13 LEU 35 HD13 LEU 35 0.791 -2.015 0.263 279 HD21 LEU 35 HD21 LEU 35 1.995 -3.893 3.218 280 HD22 LEU 35 HD22 LEU 35 3.022 -3.493 1.841 281 HD23 LEU 35 HD23 LEU 35 1.370 -4.051 1.576 282 H GLU 36 HN GLU 36 2.215 -0.598 6.346 283 HA GLU 36 HA GLU 36 0.135 -2.379 6.963 284 HB2 GLU 36 HB2 GLU 36 2.391 -1.834 8.197 285 HB3 GLU 36 HB1 GLU 36 1.399 -0.680 9.077 286 HG2 GLU 36 HG2 GLU 36 0.833 -3.629 8.878 287 HG3 GLU 36 HG1 GLU 36 1.648 -2.843 10.230 288 H GLU 37 HN GLU 37 0.422 1.114 7.288 289 HA GLU 37 HA GLU 37 -1.873 1.576 8.833 290 HB2 GLU 37 HB2 GLU 37 -0.664 3.380 6.727 291 HB3 GLU 37 HB1 GLU 37 -1.754 3.876 8.014 292 HG2 GLU 37 HG2 GLU 37 1.015 2.755 8.385 293 HG3 GLU 37 HG1 GLU 37 0.554 4.452 8.521 294 H ILE 38 HN ILE 38 -1.441 0.940 5.438 295 HA ILE 38 HA ILE 38 -3.933 1.858 4.489 296 HB ILE 38 HB ILE 38 -2.383 -0.470 3.353 297 HG12 ILE 38 HG12 ILE 38 -1.951 2.493 2.895 298 HG13 ILE 38 HG11 ILE 38 -0.849 1.403 3.733 299 HG21 ILE 38 HG21 ILE 38 -3.348 0.260 1.236 300 HG22 ILE 38 HG22 ILE 38 -4.179 1.579 2.058 301 HG23 ILE 38 HG23 ILE 38 -4.609 -0.093 2.416 302 HD11 ILE 38 HD11 ILE 38 -1.593 1.313 0.820 303 HD12 ILE 38 HD12 ILE 38 -0.567 0.137 1.639 304 HD13 ILE 38 HD13 ILE 38 -0.049 1.817 1.507 305 H ARG 39 HN ARG 39 -2.871 -1.239 5.798 306 HA ARG 39 HA ARG 39 -5.199 -2.710 5.227 307 HB2 ARG 39 HB2 ARG 39 -3.108 -3.066 7.375 308 HB3 ARG 39 HB1 ARG 39 -4.377 -4.236 7.042 309 HG2 ARG 39 HG2 ARG 39 -3.362 -5.009 5.197 310 HG3 ARG 39 HG1 ARG 39 -2.805 -3.408 4.708 311 HD2 ARG 39 HD2 ARG 39 -0.886 -4.738 5.223 312 HD3 ARG 39 HD1 ARG 39 -1.081 -3.537 6.498 313 HE ARG 39 HE ARG 39 -2.405 -5.833 7.328 314 HH11 ARG 39 HH11 ARG 39 0.851 -4.852 6.565 315 HH12 ARG 39 HH12 ARG 39 1.582 -5.956 7.682 316 HH21 ARG 39 HH21 ARG 39 -1.450 -7.288 8.802 317 HH22 ARG 39 HH22 ARG 39 0.275 -7.341 8.953 318 H GLU 40 HN GLU 40 -4.170 -1.645 8.470 319 HA GLU 40 HA GLU 40 -6.390 -2.117 9.909 320 HB2 GLU 40 HB2 GLU 40 -4.700 0.380 10.071 321 HB3 GLU 40 HB1 GLU 40 -5.811 -0.162 11.321 322 HG2 GLU 40 HG2 GLU 40 -4.500 -2.225 11.565 323 HG3 GLU 40 HG1 GLU 40 -3.366 -1.628 10.354 324 H ALA 41 HN ALA 41 -6.073 0.442 7.535 325 HA ALA 41 HA ALA 41 -8.298 1.975 8.332 326 HB1 ALA 41 HB1 ALA 41 -7.111 1.714 5.577 327 HB2 ALA 41 HB2 ALA 41 -6.547 2.810 6.837 328 HB3 ALA 41 HB3 ALA 41 -8.158 3.013 6.148 329 H PHE 42 HN PHE 42 -8.269 0.319 5.198 330 HA PHE 42 HA PHE 42 -11.116 0.037 5.304 331 HB2 PHE 42 HB2 PHE 42 -9.029 -0.687 3.270 332 HB3 PHE 42 HB1 PHE 42 -10.720 -1.127 3.061 333 HD1 PHE 42 HD1 PHE 42 -8.489 1.785 3.619 334 HD2 PHE 42 HD2 PHE 42 -12.236 0.386 2.169 335 HE1 PHE 42 HE1 PHE 42 -8.964 4.018 2.699 336 HE2 PHE 42 HE2 PHE 42 -12.718 2.615 1.245 337 HZ PHE 42 HZ PHE 42 -11.081 4.435 1.511 338 H LYS 43 HN LYS 43 -8.434 -2.065 5.976 339 HA LYS 43 HA LYS 43 -9.703 -4.531 5.566 340 HB2 LYS 43 HB2 LYS 43 -7.191 -3.834 6.250 341 HB3 LYS 43 HB1 LYS 43 -7.790 -4.363 7.818 342 HG2 LYS 43 HG2 LYS 43 -6.672 -6.170 6.633 343 HG3 LYS 43 HG1 LYS 43 -8.382 -6.528 6.879 344 HD2 LYS 43 HD2 LYS 43 -7.652 -7.147 4.625 345 HD3 LYS 43 HD1 LYS 43 -8.863 -5.867 4.580 346 HE2 LYS 43 HE2 LYS 43 -6.983 -4.218 4.383 347 HE3 LYS 43 HE1 LYS 43 -5.885 -5.587 4.208 348 HZ1 LYS 43 HZ1 LYS 43 -7.114 -6.273 2.243 349 HZ2 LYS 43 HZ2 LYS 43 -6.534 -4.693 2.062 350 HZ3 LYS 43 HZ3 LYS 43 -8.167 -4.958 2.413 351 H VAL 44 HN VAL 44 -9.744 -2.345 8.362 352 HA VAL 44 HA VAL 44 -11.106 -4.238 10.027 353 HB VAL 44 HB VAL 44 -11.466 -2.432 11.599 354 HG11 VAL 44 HG11 VAL 44 -9.108 -1.748 11.947 355 HG12 VAL 44 HG12 VAL 44 -8.717 -2.431 10.369 356 HG13 VAL 44 HG13 VAL 44 -9.308 -3.476 11.659 357 HG21 VAL 44 HG21 VAL 44 -12.046 -0.650 10.061 358 HG22 VAL 44 HG22 VAL 44 -10.398 -0.622 9.440 359 HG23 VAL 44 HG23 VAL 44 -10.718 -0.144 11.105 360 H PHE 45 HN PHE 45 -12.119 -1.657 7.833 361 HA PHE 45 HA PHE 45 -14.814 -1.539 8.658 362 HB2 PHE 45 HB2 PHE 45 -13.562 -0.987 5.958 363 HB3 PHE 45 HB1 PHE 45 -15.257 -0.686 6.323 364 HD1 PHE 45 HD1 PHE 45 -15.415 0.581 8.801 365 HD2 PHE 45 HD2 PHE 45 -12.326 0.936 5.899 366 HE1 PHE 45 HE1 PHE 45 -14.836 2.799 9.695 367 HE2 PHE 45 HE2 PHE 45 -11.737 3.153 6.788 368 HZ PHE 45 HZ PHE 45 -12.993 4.088 8.690 369 H ASP 46 HN ASP 46 -13.060 -3.959 7.039 370 HA ASP 46 HA ASP 46 -15.245 -5.188 5.660 371 HB2 ASP 46 HB2 ASP 46 -12.905 -5.546 4.974 372 HB3 ASP 46 HB1 ASP 46 -12.574 -6.339 6.510 373 H ARG 47 HN ARG 47 -16.885 -5.361 7.193 374 HA ARG 47 HA ARG 47 -16.720 -6.367 9.761 375 HB2 ARG 47 HB2 ARG 47 -19.058 -6.796 7.903 376 HB3 ARG 47 HB1 ARG 47 -19.091 -6.691 9.660 377 HG2 ARG 47 HG2 ARG 47 -18.358 -4.336 9.496 378 HG3 ARG 47 HG1 ARG 47 -18.449 -4.462 7.737 379 HD2 ARG 47 HD2 ARG 47 -20.851 -5.106 7.997 380 HD3 ARG 47 HD1 ARG 47 -20.705 -4.738 9.714 381 HE ARG 47 HE ARG 47 -19.838 -2.516 8.249 382 HH11 ARG 47 HH11 ARG 47 -22.762 -4.287 8.921 383 HH12 ARG 47 HH12 ARG 47 -23.796 -2.912 8.717 384 HH21 ARG 47 HH21 ARG 47 -21.194 -0.699 7.977 385 HH22 ARG 47 HH22 ARG 47 -22.905 -0.874 8.179 386 H ASP 48 HN ASP 48 -17.008 -8.135 6.717 387 HA ASP 48 HA ASP 48 -17.385 -10.670 8.008 388 HB2 ASP 48 HB2 ASP 48 -16.599 -10.075 5.147 389 HB3 ASP 48 HB1 ASP 48 -17.179 -11.620 5.764 390 H GLY 49 HN GLY 49 -14.679 -8.733 7.190 391 HA2 GLY 49 HA2 GLY 49 -12.417 -9.050 7.402 392 HA3 GLY 49 HA1 GLY 49 -12.827 -10.297 8.568 393 H ASN 50 HN ASN 50 -14.094 -10.765 5.427 394 HA ASN 50 HA ASN 50 -12.574 -13.154 5.076 395 HB2 ASN 50 HB2 ASN 50 -13.766 -13.097 2.771 396 HB3 ASN 50 HB1 ASN 50 -14.736 -13.315 4.222 397 HD21 ASN 50 HD21 ASN 50 -13.323 -10.253 3.323 398 HD22 ASN 50 HD22 ASN 50 -14.809 -9.465 2.935 399 H GLY 51 HN GLY 51 -11.690 -10.036 4.642 400 HA2 GLY 51 HA2 GLY 51 -9.542 -9.447 3.811 401 HA3 GLY 51 HA1 GLY 51 -9.624 -10.814 2.709 402 H PHE 52 HN PHE 52 -12.511 -9.845 2.157 403 HA PHE 52 HA PHE 52 -11.729 -7.781 0.204 404 HB2 PHE 52 HB2 PHE 52 -14.146 -9.529 -0.126 405 HB3 PHE 52 HB1 PHE 52 -13.213 -8.685 -1.357 406 HD1 PHE 52 HD2 PHE 52 -11.009 -9.573 -2.055 407 HD2 PHE 52 HD1 PHE 52 -13.580 -11.713 0.575 408 HE1 PHE 52 HE2 PHE 52 -9.744 -11.637 -2.502 409 HE2 PHE 52 HE1 PHE 52 -12.320 -13.778 0.135 410 HZ PHE 52 HZ PHE 52 -10.400 -13.744 -1.407 411 H ILE 53 HN ILE 53 -13.192 -6.069 -0.210 412 HA ILE 53 HA ILE 53 -15.200 -5.675 1.913 413 HB ILE 53 HB ILE 53 -13.492 -3.587 0.556 414 HG12 ILE 53 HG12 ILE 53 -13.559 -4.071 3.508 415 HG13 ILE 53 HG11 ILE 53 -12.636 -5.177 2.493 416 HG21 ILE 53 HG21 ILE 53 -14.568 -1.998 2.103 417 HG22 ILE 53 HG22 ILE 53 -15.661 -3.280 2.627 418 HG23 ILE 53 HG23 ILE 53 -15.709 -2.706 0.961 419 HD11 ILE 53 HD11 ILE 53 -11.389 -3.239 1.607 420 HD12 ILE 53 HD12 ILE 53 -11.189 -3.473 3.343 421 HD13 ILE 53 HD13 ILE 53 -12.259 -2.206 2.741 422 H SER 54 HN SER 54 -17.205 -5.583 1.232 423 HA SER 54 HA SER 54 -17.831 -5.329 -1.578 424 HB2 SER 54 HB2 SER 54 -19.027 -6.957 -0.151 425 HB3 SER 54 HB1 SER 54 -19.678 -5.626 0.805 426 HG SER 54 HG SER 54 -20.921 -6.606 -1.104 427 H LYS 55 HN LYS 55 -20.036 -3.940 -1.915 428 HA LYS 55 HA LYS 55 -19.228 -1.246 -1.718 429 HB2 LYS 55 HB2 LYS 55 -21.922 -2.447 -2.373 430 HB3 LYS 55 HB1 LYS 55 -21.536 -0.741 -2.537 431 HG2 LYS 55 HG2 LYS 55 -21.233 -1.485 -4.681 432 HG3 LYS 55 HG1 LYS 55 -19.594 -1.604 -4.040 433 HD2 LYS 55 HD2 LYS 55 -20.049 -3.616 -5.242 434 HD3 LYS 55 HD1 LYS 55 -20.062 -4.009 -3.524 435 HE2 LYS 55 HE2 LYS 55 -22.488 -3.956 -3.501 436 HE3 LYS 55 HE1 LYS 55 -22.513 -3.468 -5.195 437 HZ1 LYS 55 HZ1 LYS 55 -21.490 -5.577 -5.781 438 HZ2 LYS 55 HZ2 LYS 55 -22.940 -5.831 -4.950 439 HZ3 LYS 55 HZ3 LYS 55 -21.462 -6.045 -4.156 440 H GLN 56 HN GLN 56 -21.765 -3.064 -0.007 441 HA GLN 56 HA GLN 56 -22.770 -1.003 1.558 442 HB2 GLN 56 HB2 GLN 56 -22.547 -3.963 2.084 443 HB3 GLN 56 HB1 GLN 56 -23.364 -2.870 3.192 444 HG2 GLN 56 HG2 GLN 56 -24.958 -3.965 1.746 445 HG3 GLN 56 HG1 GLN 56 -24.919 -2.233 1.420 446 HE21 GLN 56 HE21 GLN 56 -24.100 -1.495 -0.528 447 HE22 GLN 56 HE22 GLN 56 -23.828 -2.541 -1.875 448 H GLU 57 HN GLU 57 -20.003 -3.123 2.139 449 HA GLU 57 HA GLU 57 -19.454 -2.133 4.754 450 HB2 GLU 57 HB2 GLU 57 -17.606 -3.547 2.819 451 HB3 GLU 57 HB1 GLU 57 -17.350 -3.359 4.550 452 HG2 GLU 57 HG2 GLU 57 -19.242 -4.756 5.037 453 HG3 GLU 57 HG1 GLU 57 -19.668 -4.838 3.328 454 H LEU 58 HN LEU 58 -18.117 -1.482 1.540 455 HA LEU 58 HA LEU 58 -16.146 0.358 2.289 456 HB2 LEU 58 HB2 LEU 58 -16.818 -0.791 -0.024 457 HB3 LEU 58 HB1 LEU 58 -17.636 0.737 -0.269 458 HG LEU 58 HG LEU 58 -15.408 0.679 -1.308 459 HD11 LEU 58 HD11 LEU 58 -16.401 2.803 -0.501 460 HD12 LEU 58 HD12 LEU 58 -14.639 2.808 -0.535 461 HD13 LEU 58 HD13 LEU 58 -15.489 2.613 0.997 462 HD21 LEU 58 HD21 LEU 58 -14.298 -0.813 0.260 463 HD22 LEU 58 HD22 LEU 58 -14.397 0.417 1.518 464 HD23 LEU 58 HD23 LEU 58 -13.403 0.697 0.089 465 H GLY 59 HN GLY 59 -19.592 0.650 1.979 466 HA2 GLY 59 HA2 GLY 59 -19.778 3.464 1.712 467 HA3 GLY 59 HA1 GLY 59 -21.045 2.401 2.308 468 H THR 60 HN THR 60 -19.029 1.436 4.382 469 HA THR 60 HA THR 60 -19.724 3.421 6.383 470 HB THR 60 HB THR 60 -18.214 0.821 6.739 471 HG1 THR 60 HG1 THR 60 -20.781 0.875 7.649 472 HG21 THR 60 HG21 THR 60 -17.896 2.386 8.585 473 HG22 THR 60 HG22 THR 60 -18.911 1.034 9.089 474 HG23 THR 60 HG23 THR 60 -19.641 2.598 8.724 475 H ALA 61 HN ALA 61 -17.002 2.393 4.528 476 HA ALA 61 HA ALA 61 -14.952 3.490 6.171 477 HB1 ALA 61 HB1 ALA 61 -14.917 2.886 3.215 478 HB2 ALA 61 HB2 ALA 61 -14.515 1.752 4.504 479 HB3 ALA 61 HB3 ALA 61 -13.508 3.174 4.235 480 H MET 62 HN MET 62 -16.617 4.660 3.254 481 HA MET 62 HA MET 62 -15.228 7.085 3.026 482 HB2 MET 62 HB2 MET 62 -17.986 6.290 2.095 483 HB3 MET 62 HB1 MET 62 -17.208 7.804 1.654 484 HG2 MET 62 HG2 MET 62 -16.166 5.049 1.033 485 HG3 MET 62 HG1 MET 62 -16.992 6.121 -0.097 486 HE1 MET 62 HE1 MET 62 -14.967 5.915 -1.836 487 HE2 MET 62 HE2 MET 62 -14.184 4.797 -0.719 488 HE3 MET 62 HE3 MET 62 -13.280 6.158 -1.384 489 H ARG 63 HN ARG 63 -18.410 6.414 4.508 490 HA ARG 63 HA ARG 63 -19.032 8.997 5.290 491 HB2 ARG 63 HB2 ARG 63 -20.522 8.025 6.938 492 HB3 ARG 63 HB1 ARG 63 -20.599 7.103 5.444 493 HG2 ARG 63 HG2 ARG 63 -19.274 5.348 6.380 494 HG3 ARG 63 HG1 ARG 63 -18.949 6.302 7.828 495 HD2 ARG 63 HD2 ARG 63 -21.633 5.254 6.934 496 HD3 ARG 63 HD1 ARG 63 -20.664 4.641 8.275 497 HE ARG 63 HE ARG 63 -21.155 7.380 8.667 498 HH11 ARG 63 HH11 ARG 63 -22.830 4.324 8.687 499 HH12 ARG 63 HH12 ARG 63 -24.027 4.843 9.827 500 HH21 ARG 63 HH21 ARG 63 -22.727 8.070 10.165 501 HH22 ARG 63 HH22 ARG 63 -23.969 6.971 10.666 502 H SER 64 HN SER 64 -16.866 6.685 6.779 503 HA SER 64 HA SER 64 -16.541 7.882 9.281 504 HB2 SER 64 HB2 SER 64 -15.639 5.664 8.765 505 HB3 SER 64 HB1 SER 64 -14.495 6.380 7.630 506 HG SER 64 HG SER 64 -13.229 6.702 9.260 507 H LEU 65 HN LEU 65 -14.942 8.529 6.201 508 HA LEU 65 HA LEU 65 -13.172 10.503 7.288 509 HB2 LEU 65 HB2 LEU 65 -13.928 10.155 4.394 510 HB3 LEU 65 HB1 LEU 65 -12.463 10.869 5.041 511 HG LEU 65 HG LEU 65 -13.213 7.949 5.212 512 HD11 LEU 65 HD11 LEU 65 -11.343 7.626 3.658 513 HD12 LEU 65 HD12 LEU 65 -11.155 9.376 3.534 514 HD13 LEU 65 HD13 LEU 65 -12.631 8.604 2.952 515 HD21 LEU 65 HD21 LEU 65 -10.716 9.397 6.084 516 HD22 LEU 65 HD22 LEU 65 -10.933 7.647 6.066 517 HD23 LEU 65 HD23 LEU 65 -11.912 8.647 7.140 518 H GLY 66 HN GLY 66 -16.425 10.476 6.216 519 HA2 GLY 66 HA2 GLY 66 -17.732 12.446 6.947 520 HA3 GLY 66 HA1 GLY 66 -16.452 13.430 6.251 521 H TYR 67 HN TYR 67 -17.226 10.620 4.483 522 HA TYR 67 HA TYR 67 -18.880 12.205 2.626 523 HB2 TYR 67 HB2 TYR 67 -16.881 10.048 1.907 524 HB3 TYR 67 HB1 TYR 67 -17.867 10.965 0.773 525 HD1 TYR 67 HD1 TYR 67 -17.462 13.437 0.533 526 HD2 TYR 67 HD2 TYR 67 -14.827 10.898 2.703 527 HE1 TYR 67 HE1 TYR 67 -15.697 15.142 0.373 528 HE2 TYR 67 HE2 TYR 67 -13.055 12.596 2.549 529 HH TYR 67 HH TYR 67 -12.456 14.504 1.097 530 H MET 68 HN MET 68 -20.891 11.479 3.100 531 HA MET 68 HA MET 68 -21.387 8.660 3.549 532 HB2 MET 68 HB2 MET 68 -23.292 11.003 3.427 533 HB3 MET 68 HB1 MET 68 -23.730 9.367 3.894 534 HG2 MET 68 HG2 MET 68 -23.489 10.570 5.892 535 HG3 MET 68 HG1 MET 68 -22.046 9.569 5.753 536 HE1 MET 68 HE1 MET 68 -22.924 12.884 3.838 537 HE2 MET 68 HE2 MET 68 -22.130 14.094 4.845 538 HE3 MET 68 HE3 MET 68 -23.521 13.205 5.465 539 HA PRO 69 HA PRO 69 -22.346 8.328 -0.866 540 HB2 PRO 69 HB2 PRO 69 -21.693 5.769 -1.182 541 HB3 PRO 69 HB1 PRO 69 -20.441 6.993 -0.934 542 HG2 PRO 69 HG2 PRO 69 -21.558 5.006 0.989 543 HG3 PRO 69 HG1 PRO 69 -19.895 5.589 0.817 544 HD2 PRO 69 HD2 PRO 69 -21.776 6.494 2.690 545 HD3 PRO 69 HD1 PRO 69 -20.259 7.303 2.261 546 H ASN 70 HN ASN 70 -24.240 7.857 -1.804 547 HA ASN 70 HA ASN 70 -26.338 6.642 -0.265 548 HB2 ASN 70 HB2 ASN 70 -26.447 7.437 -3.176 549 HB3 ASN 70 HB1 ASN 70 -27.791 7.293 -2.046 550 HD21 ASN 70 HD21 ASN 70 -26.694 9.538 -3.710 551 HD22 ASN 70 HD22 ASN 70 -26.497 10.845 -2.599 552 H GLU 71 HN GLU 71 -27.837 5.057 -1.572 553 HA GLU 71 HA GLU 71 -26.475 2.623 -1.801 554 HB2 GLU 71 HB2 GLU 71 -28.581 1.742 -2.743 555 HB3 GLU 71 HB1 GLU 71 -28.846 2.701 -1.295 556 HG2 GLU 71 HG2 GLU 71 -29.503 4.606 -2.692 557 HG3 GLU 71 HG1 GLU 71 -29.270 3.613 -4.132 558 H VAL 72 HN VAL 72 -27.085 5.122 -4.117 559 HA VAL 72 HA VAL 72 -26.397 3.433 -6.383 560 HB VAL 72 HB VAL 72 -28.170 5.148 -6.605 561 HG11 VAL 72 HG11 VAL 72 -25.912 7.129 -6.333 562 HG12 VAL 72 HG12 VAL 72 -27.182 6.849 -5.142 563 HG13 VAL 72 HG13 VAL 72 -27.589 7.506 -6.727 564 HG21 VAL 72 HG21 VAL 72 -27.427 6.045 -8.755 565 HG22 VAL 72 HG22 VAL 72 -26.979 4.348 -8.578 566 HG23 VAL 72 HG23 VAL 72 -25.763 5.607 -8.364 567 H GLU 73 HN GLU 73 -24.892 5.662 -4.223 568 HA GLU 73 HA GLU 73 -22.698 6.366 -5.917 569 HB2 GLU 73 HB2 GLU 73 -23.052 6.583 -2.924 570 HB3 GLU 73 HB1 GLU 73 -21.698 7.260 -3.817 571 HG2 GLU 73 HG2 GLU 73 -24.580 7.993 -4.278 572 HG3 GLU 73 HG1 GLU 73 -23.462 8.902 -3.261 573 H LEU 74 HN LEU 74 -22.949 4.258 -3.045 574 HA LEU 74 HA LEU 74 -20.355 3.299 -3.030 575 HB2 LEU 74 HB2 LEU 74 -21.379 1.240 -1.935 576 HB3 LEU 74 HB1 LEU 74 -21.649 2.788 -1.160 577 HG LEU 74 HG LEU 74 -23.896 2.797 -2.444 578 HD11 LEU 74 HD11 LEU 74 -24.805 0.573 -2.894 579 HD12 LEU 74 HD12 LEU 74 -23.233 -0.139 -2.539 580 HD13 LEU 74 HD13 LEU 74 -23.422 0.931 -3.927 581 HD21 LEU 74 HD21 LEU 74 -23.380 0.885 -0.172 582 HD22 LEU 74 HD22 LEU 74 -24.961 1.508 -0.645 583 HD23 LEU 74 HD23 LEU 74 -23.726 2.610 -0.035 584 H GLU 75 HN GLU 75 -22.774 2.715 -5.345 585 HA GLU 75 HA GLU 75 -21.834 0.145 -6.209 586 HB2 GLU 75 HB2 GLU 75 -23.720 2.153 -7.438 587 HB3 GLU 75 HB1 GLU 75 -23.323 0.618 -8.199 588 HG2 GLU 75 HG2 GLU 75 -24.567 0.924 -5.477 589 HG3 GLU 75 HG1 GLU 75 -25.447 0.568 -6.963 590 H VAL 76 HN VAL 76 -21.305 3.495 -7.200 591 HA VAL 76 HA VAL 76 -19.680 2.632 -9.453 592 HB VAL 76 HB VAL 76 -19.511 4.955 -10.069 593 HG11 VAL 76 HG11 VAL 76 -21.873 5.463 -10.431 594 HG12 VAL 76 HG12 VAL 76 -22.321 4.263 -9.220 595 HG13 VAL 76 HG13 VAL 76 -21.535 3.756 -10.716 596 HG21 VAL 76 HG21 VAL 76 -20.561 6.732 -8.753 597 HG22 VAL 76 HG22 VAL 76 -19.278 5.934 -7.844 598 HG23 VAL 76 HG23 VAL 76 -20.966 5.563 -7.496 599 H ILE 77 HN ILE 77 -19.233 4.217 -6.315 600 HA ILE 77 HA ILE 77 -16.556 4.961 -6.601 601 HB ILE 77 HB ILE 77 -18.243 4.292 -4.216 602 HG12 ILE 77 HG12 ILE 77 -17.420 6.716 -3.695 603 HG13 ILE 77 HG11 ILE 77 -16.976 6.742 -5.397 604 HG21 ILE 77 HG21 ILE 77 -16.337 4.975 -2.756 605 HG22 ILE 77 HG22 ILE 77 -15.281 4.835 -4.161 606 HG23 ILE 77 HG23 ILE 77 -16.126 3.414 -3.548 607 HD11 ILE 77 HD11 ILE 77 -19.133 7.731 -5.135 608 HD12 ILE 77 HD12 ILE 77 -19.721 6.327 -4.245 609 HD13 ILE 77 HD13 ILE 77 -19.322 6.182 -5.956 610 H ILE 78 HN ILE 78 -17.998 1.888 -5.681 611 HA ILE 78 HA ILE 78 -15.579 0.620 -4.918 612 HB ILE 78 HB ILE 78 -18.379 -0.167 -5.295 613 HG12 ILE 78 HG12 ILE 78 -17.346 0.247 -3.103 614 HG13 ILE 78 HG11 ILE 78 -17.962 -1.397 -3.227 615 HG21 ILE 78 HG21 ILE 78 -17.437 -1.729 -6.875 616 HG22 ILE 78 HG22 ILE 78 -17.917 -2.581 -5.407 617 HG23 ILE 78 HG23 ILE 78 -16.216 -2.224 -5.701 618 HD11 ILE 78 HD11 ILE 78 -15.827 -1.376 -2.107 619 HD12 ILE 78 HD12 ILE 78 -15.086 -0.545 -3.474 620 HD13 ILE 78 HD13 ILE 78 -15.681 -2.195 -3.662 621 H GLN 79 HN GLN 79 -17.176 1.072 -8.010 622 HA GLN 79 HA GLN 79 -15.777 -0.995 -9.385 623 HB2 GLN 79 HB2 GLN 79 -17.196 1.466 -10.407 624 HB3 GLN 79 HB1 GLN 79 -16.593 0.169 -11.428 625 HG2 GLN 79 HG2 GLN 79 -18.114 -1.394 -10.380 626 HG3 GLN 79 HG1 GLN 79 -18.675 -0.138 -9.278 627 HE21 GLN 79 HE21 GLN 79 -20.787 -0.196 -9.942 628 HE22 GLN 79 HE22 GLN 79 -21.305 0.343 -11.499 629 H ARG 80 HN ARG 80 -14.804 2.030 -8.214 630 HA ARG 80 HA ARG 80 -12.987 2.753 -10.291 631 HB2 ARG 80 HB2 ARG 80 -12.953 3.568 -7.379 632 HB3 ARG 80 HB1 ARG 80 -12.116 4.374 -8.698 633 HG2 ARG 80 HG2 ARG 80 -15.108 4.122 -8.481 634 HG3 ARG 80 HG1 ARG 80 -14.175 5.527 -7.962 635 HD2 ARG 80 HD2 ARG 80 -13.325 5.764 -10.274 636 HD3 ARG 80 HD1 ARG 80 -14.362 4.424 -10.763 637 HE ARG 80 HE ARG 80 -15.948 6.354 -9.501 638 HH11 ARG 80 HH11 ARG 80 -14.070 5.954 -12.411 639 HH12 ARG 80 HH12 ARG 80 -15.041 7.045 -13.340 640 HH21 ARG 80 HH21 ARG 80 -17.229 7.794 -10.717 641 HH22 ARG 80 HH22 ARG 80 -16.837 8.094 -12.376 642 H LEU 81 HN LEU 81 -12.819 0.758 -7.430 643 HA LEU 81 HA LEU 81 -9.939 0.370 -7.828 644 HB2 LEU 81 HB2 LEU 81 -11.484 -0.784 -5.541 645 HB3 LEU 81 HB1 LEU 81 -9.791 -0.338 -5.614 646 HG LEU 81 HG LEU 81 -12.129 1.569 -5.463 647 HD11 LEU 81 HD11 LEU 81 -9.973 0.926 -3.458 648 HD12 LEU 81 HD12 LEU 81 -11.651 0.390 -3.370 649 HD13 LEU 81 HD13 LEU 81 -11.266 2.108 -3.261 650 HD21 LEU 81 HD21 LEU 81 -10.331 2.507 -6.814 651 HD22 LEU 81 HD22 LEU 81 -9.167 2.136 -5.542 652 HD23 LEU 81 HD23 LEU 81 -10.437 3.325 -5.255 653 H ASP 82 HN ASP 82 -13.007 -1.358 -7.716 654 HA ASP 82 HA ASP 82 -11.976 -3.973 -7.887 655 HB2 ASP 82 HB2 ASP 82 -14.405 -3.078 -7.402 656 HB3 ASP 82 HB1 ASP 82 -14.599 -3.267 -9.143 657 H MET 83 HN MET 83 -10.322 -3.951 -9.433 658 HA MET 83 HA MET 83 -10.638 -3.109 -12.101 659 HB2 MET 83 HB2 MET 83 -8.707 -5.136 -10.965 660 HB3 MET 83 HB1 MET 83 -8.562 -4.347 -12.530 661 HG2 MET 83 HG2 MET 83 -8.476 -2.990 -9.846 662 HG3 MET 83 HG1 MET 83 -7.097 -3.321 -10.894 663 HE1 MET 83 HE1 MET 83 -7.867 -0.436 -9.666 664 HE2 MET 83 HE2 MET 83 -7.544 0.600 -11.058 665 HE3 MET 83 HE3 MET 83 -6.437 -0.715 -10.661 666 H ASP 84 HN ASP 84 -10.465 -6.450 -10.836 667 HA ASP 84 HA ASP 84 -11.291 -7.606 -13.291 668 HB2 ASP 84 HB2 ASP 84 -11.551 -9.698 -11.952 669 HB3 ASP 84 HB1 ASP 84 -9.981 -8.921 -11.764 670 H GLY 85 HN GLY 85 -13.027 -6.229 -10.659 671 HA2 GLY 85 HA2 GLY 85 -15.277 -5.711 -10.541 672 HA3 GLY 85 HA1 GLY 85 -15.506 -6.527 -12.078 673 H ASP 86 HN ASP 86 -14.250 -7.797 -9.000 674 HA ASP 86 HA ASP 86 -16.151 -9.992 -9.181 675 HB2 ASP 86 HB2 ASP 86 -14.895 -10.974 -7.320 676 HB3 ASP 86 HB1 ASP 86 -13.808 -10.485 -8.616 677 H GLY 87 HN GLY 87 -16.646 -7.037 -8.309 678 HA2 GLY 87 HA2 GLY 87 -18.374 -6.134 -7.052 679 HA3 GLY 87 HA1 GLY 87 -18.642 -7.718 -6.338 680 H GLN 88 HN GLN 88 -15.583 -7.635 -5.799 681 HA GLN 88 HA GLN 88 -15.687 -5.866 -3.449 682 HB2 GLN 88 HB2 GLN 88 -14.459 -8.628 -3.487 683 HB3 GLN 88 HB1 GLN 88 -14.600 -7.555 -2.102 684 HG2 GLN 88 HG2 GLN 88 -17.042 -7.738 -2.222 685 HG3 GLN 88 HG1 GLN 88 -16.880 -8.844 -3.584 686 HE21 GLN 88 HE21 GLN 88 -16.550 -8.437 -0.163 687 HE22 GLN 88 HE22 GLN 88 -16.326 -10.107 0.224 688 H VAL 89 HN VAL 89 -13.548 -5.289 -2.598 689 HA VAL 89 HA VAL 89 -11.557 -5.149 -4.765 690 HB VAL 89 HB VAL 89 -11.898 -3.238 -2.451 691 HG11 VAL 89 HG11 VAL 89 -9.607 -3.345 -3.234 692 HG12 VAL 89 HG12 VAL 89 -10.342 -1.817 -3.719 693 HG13 VAL 89 HG13 VAL 89 -10.141 -3.113 -4.898 694 HG21 VAL 89 HG21 VAL 89 -12.712 -2.973 -5.343 695 HG22 VAL 89 HG22 VAL 89 -12.730 -1.662 -4.165 696 HG23 VAL 89 HG23 VAL 89 -13.786 -3.057 -3.947 697 H ASP 90 HN ASP 90 -9.622 -6.027 -4.457 698 HA ASP 90 HA ASP 90 -9.034 -7.287 -1.910 699 HB2 ASP 90 HB2 ASP 90 -8.694 -8.557 -3.983 700 HB3 ASP 90 HB1 ASP 90 -7.526 -7.359 -4.533 701 H PHE 91 HN PHE 91 -7.018 -7.026 -0.801 702 HA PHE 91 HA PHE 91 -6.306 -4.444 -0.199 703 HB2 PHE 91 HB2 PHE 91 -5.712 -6.286 1.250 704 HB3 PHE 91 HB1 PHE 91 -4.641 -6.957 0.025 705 HD1 PHE 91 HD1 PHE 91 -5.086 -3.580 1.571 706 HD2 PHE 91 HD2 PHE 91 -2.440 -6.769 0.599 707 HE1 PHE 91 HE1 PHE 91 -3.207 -2.308 2.523 708 HE2 PHE 91 HE2 PHE 91 -0.557 -5.503 1.549 709 HZ PHE 91 HZ PHE 91 -0.941 -3.269 2.513 710 H GLU 92 HN GLU 92 -4.401 -6.662 -2.244 711 HA GLU 92 HA GLU 92 -2.336 -5.044 -2.971 712 HB2 GLU 92 HB2 GLU 92 -3.813 -7.001 -4.734 713 HB3 GLU 92 HB1 GLU 92 -2.223 -6.336 -5.085 714 HG2 GLU 92 HG2 GLU 92 -1.323 -7.376 -3.085 715 HG3 GLU 92 HG1 GLU 92 -2.919 -8.005 -2.679 716 H GLU 93 HN GLU 93 -5.337 -5.340 -4.897 717 HA GLU 93 HA GLU 93 -4.825 -3.449 -6.808 718 HB2 GLU 93 HB2 GLU 93 -7.470 -4.013 -5.460 719 HB3 GLU 93 HB1 GLU 93 -7.279 -3.156 -6.983 720 HG2 GLU 93 HG2 GLU 93 -6.399 -5.121 -8.042 721 HG3 GLU 93 HG1 GLU 93 -6.387 -5.990 -6.508 722 H PHE 94 HN PHE 94 -5.637 -2.894 -3.466 723 HA PHE 94 HA PHE 94 -6.188 -0.077 -3.901 724 HB2 PHE 94 HB2 PHE 94 -7.473 -1.432 -2.248 725 HB3 PHE 94 HB1 PHE 94 -6.005 -1.589 -1.291 726 HD1 PHE 94 HD2 PHE 94 -7.855 1.190 -2.974 727 HD2 PHE 94 HD1 PHE 94 -5.930 -0.233 0.545 728 HE1 PHE 94 HE2 PHE 94 -8.378 3.308 -1.836 729 HE2 PHE 94 HE1 PHE 94 -6.451 1.882 1.691 730 HZ PHE 94 HZ PHE 94 -7.676 3.657 0.499 731 H VAL 95 HN VAL 95 -3.493 -2.061 -2.936 732 HA VAL 95 HA VAL 95 -2.055 -0.039 -1.549 733 HB VAL 95 HB VAL 95 -0.250 -1.485 -1.430 734 HG11 VAL 95 HG11 VAL 95 -2.559 -3.364 -1.865 735 HG12 VAL 95 HG12 VAL 95 -2.293 -2.418 -0.401 736 HG13 VAL 95 HG13 VAL 95 -1.126 -3.651 -0.879 737 HG21 VAL 95 HG21 VAL 95 -0.044 -3.473 -3.040 738 HG22 VAL 95 HG22 VAL 95 0.379 -1.871 -3.643 739 HG23 VAL 95 HG23 VAL 95 -1.175 -2.587 -4.061 740 H THR 96 HN THR 96 -2.326 -0.904 -4.938 741 HA THR 96 HA THR 96 -0.073 0.699 -5.738 742 HB THR 96 HB THR 96 -2.257 -0.480 -7.462 743 HG1 THR 96 HG1 THR 96 0.328 -1.571 -7.028 744 HG21 THR 96 HG21 THR 96 -0.603 -0.294 -9.260 745 HG22 THR 96 HG22 THR 96 0.536 0.454 -8.142 746 HG23 THR 96 HG23 THR 96 -0.961 1.285 -8.563 747 H LEU 97 HN LEU 97 -3.614 0.975 -5.959 748 HA LEU 97 HA LEU 97 -3.651 3.434 -7.329 749 HB2 LEU 97 HB2 LEU 97 -5.693 2.289 -5.422 750 HB3 LEU 97 HB1 LEU 97 -5.974 3.618 -6.532 751 HG LEU 97 HG LEU 97 -5.303 0.786 -7.343 752 HD11 LEU 97 HD11 LEU 97 -7.911 2.294 -7.452 753 HD12 LEU 97 HD12 LEU 97 -7.528 0.958 -6.367 754 HD13 LEU 97 HD13 LEU 97 -7.621 0.683 -8.106 755 HD21 LEU 97 HD21 LEU 97 -6.063 3.198 -8.988 756 HD22 LEU 97 HD22 LEU 97 -5.880 1.556 -9.603 757 HD23 LEU 97 HD23 LEU 97 -4.484 2.415 -8.950 758 H LEU 98 HN LEU 98 -2.999 2.651 -4.046 759 HA LEU 98 HA LEU 98 -3.259 5.468 -3.249 760 HB2 LEU 98 HB2 LEU 98 -4.439 3.779 -1.877 761 HB3 LEU 98 HB1 LEU 98 -2.903 3.010 -1.530 762 HG LEU 98 HG LEU 98 -3.087 5.880 -0.837 763 HD11 LEU 98 HD11 LEU 98 -4.291 5.421 1.243 764 HD12 LEU 98 HD12 LEU 98 -4.583 3.766 0.708 765 HD13 LEU 98 HD13 LEU 98 -5.301 5.116 -0.171 766 HD21 LEU 98 HD21 LEU 98 -1.099 4.504 -0.380 767 HD22 LEU 98 HD22 LEU 98 -2.077 3.454 0.644 768 HD23 LEU 98 HD23 LEU 98 -1.823 5.138 1.097 769 H GLY 99 HN GLY 99 -0.996 3.074 -4.077 770 HA2 GLY 99 HA2 GLY 99 1.195 4.274 -2.573 771 HA3 GLY 99 HA1 GLY 99 1.292 2.849 -3.597 772 HA PRO 100 HA PRO 100 3.197 6.733 -5.628 773 HB2 PRO 100 HB2 PRO 100 5.385 4.752 -5.991 774 HB3 PRO 100 HB1 PRO 100 5.475 6.463 -5.557 775 HG2 PRO 100 HG2 PRO 100 5.885 4.573 -3.726 776 HG3 PRO 100 HG1 PRO 100 5.004 6.059 -3.324 777 HD2 PRO 100 HD2 PRO 100 3.950 3.310 -3.846 778 HD3 PRO 100 HD1 PRO 100 3.409 4.521 -2.665 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -4.024 -10.433 34.304 2 H2 MET 1 HT2 MET 1 -3.553 -9.375 33.070 3 H3 MET 1 HT3 MET 1 -2.712 -9.390 34.538 4 HA MET 1 HA MET 1 -1.449 -10.520 32.846 5 HB2 MET 1 HB2 MET 1 -2.627 -12.340 34.953 6 HB3 MET 1 HB1 MET 1 -1.179 -12.700 34.024 7 HG2 MET 1 HG2 MET 1 -1.525 -10.348 35.869 8 HG3 MET 1 HG1 MET 1 -0.677 -11.842 36.261 9 HE1 MET 1 HE1 MET 1 0.616 -8.907 36.540 10 HE2 MET 1 HE2 MET 1 2.236 -9.246 35.930 11 HE3 MET 1 HE3 MET 1 1.426 -10.410 36.980 12 HA PRO 2 HA PRO 2 -4.758 -12.273 30.096 13 HB2 PRO 2 HB2 PRO 2 -3.268 -11.798 27.823 14 HB3 PRO 2 HB1 PRO 2 -4.449 -10.674 28.502 15 HG2 PRO 2 HG2 PRO 2 -1.473 -10.705 28.794 16 HG3 PRO 2 HG1 PRO 2 -2.563 -9.325 28.561 17 HD2 PRO 2 HD2 PRO 2 -1.546 -9.914 30.971 18 HD3 PRO 2 HD1 PRO 2 -3.200 -9.291 30.792 19 H PHE 3 HN PHE 3 -4.729 -14.169 28.820 20 HA PHE 3 HA PHE 3 -2.783 -16.094 29.634 21 HB2 PHE 3 HB2 PHE 3 -4.958 -16.347 27.548 22 HB3 PHE 3 HB1 PHE 3 -4.073 -17.675 28.291 23 HD1 PHE 3 HD1 PHE 3 -4.281 -17.940 30.834 24 HD2 PHE 3 HD2 PHE 3 -6.930 -15.578 28.486 25 HE1 PHE 3 HE1 PHE 3 -5.968 -18.062 32.622 26 HE2 PHE 3 HE2 PHE 3 -8.621 -15.694 30.269 27 HZ PHE 3 HZ PHE 3 -8.141 -16.937 32.341 28 H HIS 4 HN HIS 4 -2.730 -13.775 27.249 29 HA HIS 4 HA HIS 4 -1.542 -15.165 25.096 30 HB2 HIS 4 HB2 HIS 4 -1.427 -12.255 25.906 31 HB3 HIS 4 HB1 HIS 4 -0.732 -12.874 24.412 32 HD1 HIS 4 HD1 HIS 4 -3.662 -11.278 25.572 33 HD2 HIS 4 HD2 HIS 4 -2.923 -14.364 22.889 34 HE1 HIS 4 HE1 HIS 4 -5.713 -11.415 24.122 35 HE2 HIS 4 HE2 HIS 4 -5.274 -13.340 22.557 36 HA PRO 5 HA PRO 5 2.584 -15.777 26.571 37 HB2 PRO 5 HB2 PRO 5 3.955 -15.902 24.253 38 HB3 PRO 5 HB1 PRO 5 2.828 -17.171 24.747 39 HG2 PRO 5 HG2 PRO 5 2.414 -14.914 22.825 40 HG3 PRO 5 HG1 PRO 5 1.934 -16.614 22.673 41 HD2 PRO 5 HD2 PRO 5 0.215 -14.640 23.427 42 HD3 PRO 5 HD1 PRO 5 0.051 -16.326 23.958 43 H VAL 6 HN VAL 6 4.606 -14.759 26.861 44 HA VAL 6 HA VAL 6 4.589 -11.900 26.191 45 HB VAL 6 HB VAL 6 4.715 -12.621 28.602 46 HG11 VAL 6 HG11 VAL 6 6.862 -13.396 29.467 47 HG12 VAL 6 HG12 VAL 6 7.496 -13.487 27.825 48 HG13 VAL 6 HG13 VAL 6 6.178 -14.548 28.321 49 HG21 VAL 6 HG21 VAL 6 6.360 -10.950 29.225 50 HG22 VAL 6 HG22 VAL 6 5.407 -10.388 27.851 51 HG23 VAL 6 HG23 VAL 6 7.046 -10.989 27.602 52 H THR 7 HN THR 7 5.476 -14.168 24.438 53 HA THR 7 HA THR 7 8.257 -14.288 24.214 54 HB THR 7 HB THR 7 6.250 -14.469 21.955 55 HG1 THR 7 HG1 THR 7 6.382 -15.977 24.051 56 HG21 THR 7 HG21 THR 7 9.060 -15.549 22.219 57 HG22 THR 7 HG22 THR 7 8.543 -14.239 21.158 58 HG23 THR 7 HG23 THR 7 7.958 -15.879 20.881 59 H ALA 8 HN ALA 8 9.570 -12.582 24.029 60 HA ALA 8 HA ALA 8 8.752 -10.100 22.877 61 HB1 ALA 8 HB1 ALA 8 11.495 -11.051 23.696 62 HB2 ALA 8 HB2 ALA 8 10.355 -10.157 24.702 63 HB3 ALA 8 HB3 ALA 8 11.067 -9.392 23.281 64 H ALA 9 HN ALA 9 10.668 -9.119 21.342 65 HA ALA 9 HA ALA 9 10.208 -10.329 18.825 66 HB1 ALA 9 HB1 ALA 9 10.543 -7.923 19.087 67 HB2 ALA 9 HB2 ALA 9 11.686 -8.612 17.933 68 HB3 ALA 9 HB3 ALA 9 12.216 -8.207 19.566 69 H LEU 10 HN LEU 10 13.400 -9.691 20.303 70 HA LEU 10 HA LEU 10 14.407 -12.083 18.935 71 HB2 LEU 10 HB2 LEU 10 15.930 -9.825 20.243 72 HB3 LEU 10 HB1 LEU 10 16.650 -11.174 19.391 73 HG LEU 10 HG LEU 10 16.750 -9.401 17.874 74 HD11 LEU 10 HD11 LEU 10 15.863 -11.452 16.869 75 HD12 LEU 10 HD12 LEU 10 15.275 -10.003 16.053 76 HD13 LEU 10 HD13 LEU 10 14.221 -10.877 17.165 77 HD21 LEU 10 HD21 LEU 10 14.923 -7.893 17.371 78 HD22 LEU 10 HD22 LEU 10 15.272 -7.879 19.100 79 HD23 LEU 10 HD23 LEU 10 13.872 -8.761 18.490 80 H MET 11 HN MET 11 15.554 -10.530 21.907 81 HA MET 11 HA MET 11 15.991 -11.321 23.989 82 HB2 MET 11 HB2 MET 11 13.539 -11.886 23.879 83 HB3 MET 11 HB1 MET 11 13.998 -13.509 23.384 84 HG2 MET 11 HG2 MET 11 13.475 -13.362 25.771 85 HG3 MET 11 HG1 MET 11 15.136 -13.873 25.476 86 HE1 MET 11 HE1 MET 11 14.274 -12.996 28.294 87 HE2 MET 11 HE2 MET 11 15.506 -11.829 28.779 88 HE3 MET 11 HE3 MET 11 15.973 -13.308 27.937 89 H TYR 12 HN TYR 12 16.904 -12.794 21.273 90 HA TYR 12 HA TYR 12 18.022 -15.204 22.460 91 HB2 TYR 12 HB2 TYR 12 17.055 -15.198 20.145 92 HB3 TYR 12 HB1 TYR 12 18.380 -14.152 19.648 93 HD1 TYR 12 HD1 TYR 12 17.435 -17.545 20.643 94 HD2 TYR 12 HD2 TYR 12 20.643 -15.022 19.441 95 HE1 TYR 12 HE1 TYR 12 18.825 -19.526 20.214 96 HE2 TYR 12 HE2 TYR 12 22.042 -16.997 19.007 97 HH TYR 12 HH TYR 12 20.793 -20.134 18.845 98 H ARG 13 HN ARG 13 19.293 -12.406 20.647 99 HA ARG 13 HA ARG 13 21.837 -12.738 22.096 100 HB2 ARG 13 HB2 ARG 13 22.916 -11.645 20.162 101 HB3 ARG 13 HB1 ARG 13 22.106 -13.140 19.716 102 HG2 ARG 13 HG2 ARG 13 20.145 -11.698 19.005 103 HG3 ARG 13 HG1 ARG 13 21.235 -10.320 19.167 104 HD2 ARG 13 HD2 ARG 13 21.632 -12.716 17.378 105 HD3 ARG 13 HD1 ARG 13 21.160 -11.099 16.863 106 HE ARG 13 HE ARG 13 23.518 -10.720 18.174 107 HH11 ARG 13 HH11 ARG 13 22.487 -12.742 15.528 108 HH12 ARG 13 HH12 ARG 13 24.034 -12.732 14.749 109 HH21 ARG 13 HH21 ARG 13 25.556 -10.700 17.151 110 HH22 ARG 13 HH22 ARG 13 25.777 -11.572 15.671 111 H GLY 14 HN GLY 14 23.016 -10.778 22.609 112 HA2 GLY 14 HA2 GLY 14 21.207 -8.468 22.977 113 HA3 GLY 14 HA1 GLY 14 22.395 -8.960 24.173 114 H ILE 15 HN ILE 15 22.843 -8.763 20.671 115 HA ILE 15 HA ILE 15 24.189 -6.252 20.737 116 HB ILE 15 HB ILE 15 25.939 -7.579 21.806 117 HG12 ILE 15 HG12 ILE 15 27.778 -7.128 20.180 118 HG13 ILE 15 HG11 ILE 15 26.564 -6.812 18.945 119 HG21 ILE 15 HG21 ILE 15 27.042 -9.410 20.607 120 HG22 ILE 15 HG22 ILE 15 25.844 -9.280 19.320 121 HG23 ILE 15 HG23 ILE 15 25.348 -9.769 20.940 122 HD11 ILE 15 HD11 ILE 15 27.441 -4.752 19.893 123 HD12 ILE 15 HD12 ILE 15 26.916 -5.259 21.498 124 HD13 ILE 15 HD13 ILE 15 25.722 -4.934 20.242 125 H TYR 16 HN TYR 16 24.473 -5.423 18.705 126 HA TYR 16 HA TYR 16 24.033 -7.224 16.429 127 HB2 TYR 16 HB2 TYR 16 22.551 -5.544 15.386 128 HB3 TYR 16 HB1 TYR 16 21.888 -6.176 16.889 129 HD1 TYR 16 HD2 TYR 16 22.093 -4.757 18.984 130 HD2 TYR 16 HD1 TYR 16 22.896 -3.238 15.092 131 HE1 TYR 16 HE2 TYR 16 21.829 -2.463 19.830 132 HE2 TYR 16 HE1 TYR 16 22.635 -0.942 15.927 133 HH TYR 16 HH TYR 16 21.534 0.228 17.785 134 H THR 17 HN THR 17 25.430 -6.946 14.821 135 HA THR 17 HA THR 17 26.605 -4.378 14.239 136 HB THR 17 HB THR 17 28.416 -6.634 15.126 137 HG1 THR 17 HG1 THR 17 28.906 -4.648 16.642 138 HG21 THR 17 HG21 THR 17 29.379 -5.288 13.328 139 HG22 THR 17 HG22 THR 17 30.213 -4.983 14.852 140 HG23 THR 17 HG23 THR 17 29.043 -3.815 14.239 141 H VAL 18 HN VAL 18 25.700 -4.661 12.199 142 HA VAL 18 HA VAL 18 25.941 -6.949 10.601 143 HB VAL 18 HB VAL 18 25.555 -5.327 8.670 144 HG11 VAL 18 HG11 VAL 18 23.224 -4.910 9.341 145 HG12 VAL 18 HG12 VAL 18 23.639 -5.338 11.001 146 HG13 VAL 18 HG13 VAL 18 23.744 -6.551 9.726 147 HG21 VAL 18 HG21 VAL 18 24.809 -3.064 9.326 148 HG22 VAL 18 HG22 VAL 18 26.521 -3.334 9.650 149 HG23 VAL 18 HG23 VAL 18 25.355 -3.385 10.972 150 HA PRO 19 HA PRO 19 30.361 -6.425 9.774 151 HB2 PRO 19 HB2 PRO 19 30.215 -9.060 8.550 152 HB3 PRO 19 HB1 PRO 19 31.075 -8.561 10.008 153 HG2 PRO 19 HG2 PRO 19 28.908 -10.193 10.061 154 HG3 PRO 19 HG1 PRO 19 29.315 -9.085 11.383 155 HD2 PRO 19 HD2 PRO 19 27.292 -8.764 9.195 156 HD3 PRO 19 HD1 PRO 19 27.155 -8.371 10.924 157 H ASN 20 HN ASN 20 28.340 -8.178 7.411 158 HA ASN 20 HA ASN 20 29.277 -6.337 5.329 159 HB2 ASN 20 HB2 ASN 20 29.239 -9.351 5.057 160 HB3 ASN 20 HB1 ASN 20 29.623 -8.210 3.772 161 HD21 ASN 20 HD21 ASN 20 30.706 -9.677 6.726 162 HD22 ASN 20 HD22 ASN 20 32.357 -9.185 6.603 163 H LEU 21 HN LEU 21 27.424 -5.344 4.828 164 HA LEU 21 HA LEU 21 25.182 -7.018 3.946 165 HB2 LEU 21 HB2 LEU 21 25.151 -5.550 6.302 166 HB3 LEU 21 HB1 LEU 21 24.319 -4.514 5.159 167 HG LEU 21 HG LEU 21 22.730 -5.891 6.378 168 HD11 LEU 21 HD11 LEU 21 22.999 -6.786 3.512 169 HD12 LEU 21 HD12 LEU 21 22.212 -5.307 4.063 170 HD13 LEU 21 HD13 LEU 21 21.539 -6.878 4.500 171 HD21 LEU 21 HD21 LEU 21 24.201 -8.249 5.208 172 HD22 LEU 21 HD22 LEU 21 22.712 -8.319 6.148 173 HD23 LEU 21 HD23 LEU 21 24.206 -7.765 6.903 174 H LEU 22 HN LEU 22 27.431 -4.906 3.057 175 HA LEU 22 HA LEU 22 25.947 -2.940 1.632 176 HB2 LEU 22 HB2 LEU 22 28.040 -2.328 0.605 177 HB3 LEU 22 HB1 LEU 22 28.283 -2.599 2.318 178 HG LEU 22 HG LEU 22 28.882 -4.782 0.348 179 HD11 LEU 22 HD11 LEU 22 31.196 -3.984 0.248 180 HD12 LEU 22 HD12 LEU 22 30.730 -2.532 1.135 181 HD13 LEU 22 HD13 LEU 22 30.074 -2.831 -0.476 182 HD21 LEU 22 HD21 LEU 22 28.873 -5.424 2.663 183 HD22 LEU 22 HD22 LEU 22 29.903 -4.059 3.090 184 HD23 LEU 22 HD23 LEU 22 30.542 -5.370 2.099 185 H SER 23 HN SER 23 27.310 -6.081 0.789 186 HA SER 23 HA SER 23 26.155 -5.827 -1.905 187 HB2 SER 23 HB2 SER 23 28.257 -7.744 -0.871 188 HB3 SER 23 HB1 SER 23 27.639 -7.709 -2.521 189 HG SER 23 HG SER 23 28.347 -5.370 -2.378 190 H GLU 24 HN GLU 24 25.202 -6.859 0.973 191 HA GLU 24 HA GLU 24 23.981 -9.352 0.016 192 HB2 GLU 24 HB2 GLU 24 24.521 -8.272 2.770 193 HB3 GLU 24 HB1 GLU 24 23.376 -9.581 2.510 194 HG2 GLU 24 HG2 GLU 24 25.571 -10.414 3.154 195 HG3 GLU 24 HG1 GLU 24 25.121 -10.952 1.537 196 H GLN 25 HN GLN 25 23.021 -6.830 -0.886 197 HA GLN 25 HA GLN 25 21.040 -5.805 -1.313 198 HB2 GLN 25 HB2 GLN 25 20.085 -8.051 -1.393 199 HB3 GLN 25 HB1 GLN 25 19.880 -8.044 0.352 200 HG2 GLN 25 HG2 GLN 25 18.318 -6.149 0.127 201 HG3 GLN 25 HG1 GLN 25 18.476 -6.264 -1.625 202 HE21 GLN 25 HE21 GLN 25 17.209 -7.748 1.246 203 HE22 GLN 25 HE22 GLN 25 16.162 -8.870 0.452 204 H ARG 26 HN ARG 26 20.765 -3.877 -0.457 205 HA ARG 26 HA ARG 26 20.625 -3.588 2.453 206 HB2 ARG 26 HB2 ARG 26 21.103 -1.234 2.074 207 HB3 ARG 26 HB1 ARG 26 22.281 -2.229 1.230 208 HG2 ARG 26 HG2 ARG 26 21.072 -1.879 -0.868 209 HG3 ARG 26 HG1 ARG 26 19.900 -0.870 -0.017 210 HD2 ARG 26 HD2 ARG 26 21.757 0.642 0.633 211 HD3 ARG 26 HD1 ARG 26 22.848 -0.331 -0.352 212 HE ARG 26 HE ARG 26 20.590 0.584 -1.835 213 HH11 ARG 26 HH11 ARG 26 23.707 1.536 -0.601 214 HH12 ARG 26 HH12 ARG 26 23.955 2.754 -1.807 215 HH21 ARG 26 HH21 ARG 26 20.908 2.185 -3.423 216 HH22 ARG 26 HH22 ARG 26 22.363 3.123 -3.412 217 HA PRO 27 HA PRO 27 16.302 -2.692 2.480 218 HB2 PRO 27 HB2 PRO 27 16.138 -0.779 4.413 219 HB3 PRO 27 HB1 PRO 27 16.404 -2.491 4.764 220 HG2 PRO 27 HG2 PRO 27 18.390 -0.255 4.613 221 HG3 PRO 27 HG1 PRO 27 18.273 -1.570 5.798 222 HD2 PRO 27 HD2 PRO 27 20.044 -1.622 3.761 223 HD3 PRO 27 HD1 PRO 27 19.285 -3.097 4.391 224 H VAL 28 HN VAL 28 15.365 -1.668 0.834 225 HA VAL 28 HA VAL 28 15.926 1.203 0.462 226 HB VAL 28 HB VAL 28 15.358 0.876 -1.936 227 HG11 VAL 28 HG11 VAL 28 17.483 -0.180 -2.559 228 HG12 VAL 28 HG12 VAL 28 17.662 -0.776 -0.908 229 HG13 VAL 28 HG13 VAL 28 17.681 0.960 -1.227 230 HG21 VAL 28 HG21 VAL 28 14.024 -1.147 -1.741 231 HG22 VAL 28 HG22 VAL 28 15.442 -2.053 -1.213 232 HG23 VAL 28 HG23 VAL 28 15.370 -1.403 -2.852 233 H ASP 29 HN ASP 29 14.126 2.327 -0.765 234 HA ASP 29 HA ASP 29 11.991 3.096 -0.805 235 HB2 ASP 29 HB2 ASP 29 11.259 0.173 -0.517 236 HB3 ASP 29 HB1 ASP 29 10.192 1.461 -1.064 237 H ILE 30 HN ILE 30 9.693 2.503 0.493 238 HA ILE 30 HA ILE 30 10.375 3.186 3.221 239 HB ILE 30 HB ILE 30 7.590 2.802 2.148 240 HG12 ILE 30 HG12 ILE 30 8.720 4.313 0.609 241 HG13 ILE 30 HG11 ILE 30 7.595 5.224 1.611 242 HG21 ILE 30 HG21 ILE 30 8.735 4.472 4.382 243 HG22 ILE 30 HG22 ILE 30 7.741 3.024 4.542 244 HG23 ILE 30 HG23 ILE 30 7.050 4.499 3.865 245 HD11 ILE 30 HD11 ILE 30 10.583 5.079 1.949 246 HD12 ILE 30 HD12 ILE 30 9.479 5.940 3.023 247 HD13 ILE 30 HD13 ILE 30 9.650 6.447 1.342 248 HA PRO 31 HA PRO 31 10.087 -1.011 4.703 249 HB2 PRO 31 HB2 PRO 31 9.631 -0.403 7.348 250 HB3 PRO 31 HB1 PRO 31 11.227 -0.426 6.592 251 HG2 PRO 31 HG2 PRO 31 9.430 1.896 7.159 252 HG3 PRO 31 HG1 PRO 31 11.189 1.766 7.349 253 HD2 PRO 31 HD2 PRO 31 10.094 3.035 5.255 254 HD3 PRO 31 HD1 PRO 31 11.582 2.081 5.086 255 H GLU 32 HN GLU 32 8.533 -2.463 5.295 256 HA GLU 32 HA GLU 32 5.910 -2.089 4.648 257 HB2 GLU 32 HB2 GLU 32 7.029 -4.278 5.019 258 HB3 GLU 32 HB1 GLU 32 6.907 -4.013 6.752 259 HG2 GLU 32 HG2 GLU 32 4.488 -4.017 6.610 260 HG3 GLU 32 HG1 GLU 32 4.575 -4.205 4.859 261 H ASP 33 HN ASP 33 7.428 -0.833 7.402 262 HA ASP 33 HA ASP 33 5.476 -0.886 9.360 263 HB2 ASP 33 HB2 ASP 33 7.731 -0.003 9.737 264 HB3 ASP 33 HB1 ASP 33 7.377 1.372 8.696 265 H GLU 34 HN GLU 34 5.658 1.068 6.453 266 HA GLU 34 HA GLU 34 3.445 2.757 7.257 267 HB2 GLU 34 HB2 GLU 34 3.956 4.084 5.467 268 HB3 GLU 34 HB1 GLU 34 5.512 3.292 5.666 269 HG2 GLU 34 HG2 GLU 34 5.051 1.782 3.874 270 HG3 GLU 34 HG1 GLU 34 3.383 2.339 3.763 271 H LEU 35 HN LEU 35 3.933 -0.197 5.583 272 HA LEU 35 HA LEU 35 1.650 -0.191 3.915 273 HB2 LEU 35 HB2 LEU 35 3.608 -1.780 3.787 274 HB3 LEU 35 HB1 LEU 35 2.929 -2.614 5.172 275 HG LEU 35 HG LEU 35 0.781 -2.678 3.590 276 HD11 LEU 35 HD11 LEU 35 3.109 -2.654 1.676 277 HD12 LEU 35 HD12 LEU 35 1.825 -1.449 1.771 278 HD13 LEU 35 HD13 LEU 35 1.450 -3.100 1.277 279 HD21 LEU 35 HD21 LEU 35 1.488 -4.926 2.904 280 HD22 LEU 35 HD22 LEU 35 1.822 -4.612 4.606 281 HD23 LEU 35 HD23 LEU 35 3.132 -4.558 3.427 282 H GLU 36 HN GLU 36 2.172 -0.999 7.277 283 HA GLU 36 HA GLU 36 -0.228 -2.341 7.806 284 HB2 GLU 36 HB2 GLU 36 1.428 -0.583 9.626 285 HB3 GLU 36 HB1 GLU 36 0.143 -1.655 10.166 286 HG2 GLU 36 HG2 GLU 36 1.380 -3.582 9.390 287 HG3 GLU 36 HG1 GLU 36 2.645 -2.537 8.744 288 H GLU 37 HN GLU 37 0.493 1.040 7.414 289 HA GLU 37 HA GLU 37 -1.852 2.078 8.627 290 HB2 GLU 37 HB2 GLU 37 0.125 3.464 8.238 291 HB3 GLU 37 HB1 GLU 37 -0.063 3.271 6.500 292 HG2 GLU 37 HG2 GLU 37 -2.161 4.481 6.566 293 HG3 GLU 37 HG1 GLU 37 -2.045 4.624 8.319 294 H ILE 38 HN ILE 38 -1.093 0.880 5.433 295 HA ILE 38 HA ILE 38 -3.368 1.887 4.082 296 HB ILE 38 HB ILE 38 -1.981 -0.692 3.370 297 HG12 ILE 38 HG12 ILE 38 -1.048 2.121 2.738 298 HG13 ILE 38 HG11 ILE 38 -0.256 1.001 3.843 299 HG21 ILE 38 HG21 ILE 38 -3.257 1.466 1.691 300 HG22 ILE 38 HG22 ILE 38 -3.986 -0.086 2.104 301 HG23 ILE 38 HG23 ILE 38 -2.543 -0.031 1.091 302 HD11 ILE 38 HD11 ILE 38 0.895 1.065 1.722 303 HD12 ILE 38 HD12 ILE 38 -0.590 0.633 0.876 304 HD13 ILE 38 HD13 ILE 38 0.167 -0.522 1.972 305 H ARG 39 HN ARG 39 -2.654 -1.386 5.265 306 HA ARG 39 HA ARG 39 -5.201 -2.452 4.813 307 HB2 ARG 39 HB2 ARG 39 -3.141 -3.304 6.854 308 HB3 ARG 39 HB1 ARG 39 -4.492 -4.279 6.285 309 HG2 ARG 39 HG2 ARG 39 -3.567 -4.536 4.159 310 HG3 ARG 39 HG1 ARG 39 -2.441 -3.200 4.393 311 HD2 ARG 39 HD2 ARG 39 -1.169 -5.188 4.562 312 HD3 ARG 39 HD1 ARG 39 -1.363 -4.579 6.205 313 HE ARG 39 HE ARG 39 -3.435 -6.377 5.720 314 HH11 ARG 39 HH11 ARG 39 0.037 -6.388 6.007 315 HH12 ARG 39 HH12 ARG 39 0.114 -8.025 6.567 316 HH21 ARG 39 HH21 ARG 39 -3.343 -8.533 6.454 317 HH22 ARG 39 HH22 ARG 39 -1.807 -9.244 6.822 318 H GLU 40 HN GLU 40 -3.776 -1.548 7.970 319 HA GLU 40 HA GLU 40 -5.851 -1.920 9.638 320 HB2 GLU 40 HB2 GLU 40 -3.599 -0.909 10.179 321 HB3 GLU 40 HB1 GLU 40 -4.255 0.641 9.676 322 HG2 GLU 40 HG2 GLU 40 -5.549 -1.008 11.820 323 HG3 GLU 40 HG1 GLU 40 -4.232 0.110 12.162 324 H ALA 41 HN ALA 41 -5.645 0.637 7.240 325 HA ALA 41 HA ALA 41 -7.796 2.200 8.191 326 HB1 ALA 41 HB1 ALA 41 -6.100 3.039 6.636 327 HB2 ALA 41 HB2 ALA 41 -7.737 3.290 6.030 328 HB3 ALA 41 HB3 ALA 41 -6.745 1.987 5.376 329 H PHE 42 HN PHE 42 -7.945 0.604 5.020 330 HA PHE 42 HA PHE 42 -10.799 0.397 5.286 331 HB2 PHE 42 HB2 PHE 42 -8.844 -0.161 3.091 332 HB3 PHE 42 HB1 PHE 42 -10.511 -0.708 2.958 333 HD1 PHE 42 HD1 PHE 42 -8.405 2.301 3.437 334 HD2 PHE 42 HD2 PHE 42 -12.224 0.765 2.353 335 HE1 PHE 42 HE1 PHE 42 -9.088 4.541 2.680 336 HE2 PHE 42 HE2 PHE 42 -12.911 3.002 1.593 337 HZ PHE 42 HZ PHE 42 -11.345 4.892 1.756 338 H LYS 43 HN LYS 43 -8.128 -1.779 5.671 339 HA LYS 43 HA LYS 43 -9.473 -4.204 5.256 340 HB2 LYS 43 HB2 LYS 43 -6.906 -3.604 5.761 341 HB3 LYS 43 HB1 LYS 43 -7.392 -4.123 7.371 342 HG2 LYS 43 HG2 LYS 43 -6.435 -5.968 6.136 343 HG3 LYS 43 HG1 LYS 43 -8.147 -6.262 6.448 344 HD2 LYS 43 HD2 LYS 43 -7.513 -6.882 4.157 345 HD3 LYS 43 HD1 LYS 43 -8.703 -5.580 4.180 346 HE2 LYS 43 HE2 LYS 43 -6.864 -3.949 3.871 347 HE3 LYS 43 HE1 LYS 43 -5.728 -5.295 3.750 348 HZ1 LYS 43 HZ1 LYS 43 -6.428 -4.457 1.574 349 HZ2 LYS 43 HZ2 LYS 43 -8.034 -4.848 1.931 350 HZ3 LYS 43 HZ3 LYS 43 -6.877 -6.073 1.795 351 H VAL 44 HN VAL 44 -9.201 -2.162 8.174 352 HA VAL 44 HA VAL 44 -10.500 -4.065 9.851 353 HB VAL 44 HB VAL 44 -10.785 -2.295 11.481 354 HG11 VAL 44 HG11 VAL 44 -8.620 -3.326 11.391 355 HG12 VAL 44 HG12 VAL 44 -8.421 -1.605 11.724 356 HG13 VAL 44 HG13 VAL 44 -8.106 -2.232 10.106 357 HG21 VAL 44 HG21 VAL 44 -9.852 -0.428 9.310 358 HG22 VAL 44 HG22 VAL 44 -10.082 0.009 11.001 359 HG23 VAL 44 HG23 VAL 44 -11.463 -0.485 10.021 360 H PHE 45 HN PHE 45 -11.660 -1.422 7.796 361 HA PHE 45 HA PHE 45 -14.291 -1.318 8.770 362 HB2 PHE 45 HB2 PHE 45 -13.173 -0.760 6.021 363 HB3 PHE 45 HB1 PHE 45 -14.877 -0.556 6.402 364 HD1 PHE 45 HD1 PHE 45 -15.076 0.711 8.880 365 HD2 PHE 45 HD2 PHE 45 -12.062 1.241 5.924 366 HE1 PHE 45 HE1 PHE 45 -14.625 2.967 9.750 367 HE2 PHE 45 HE2 PHE 45 -11.603 3.497 6.791 368 HZ PHE 45 HZ PHE 45 -12.886 4.364 8.707 369 H ASP 46 HN ASP 46 -12.675 -3.783 7.068 370 HA ASP 46 HA ASP 46 -14.945 -5.004 5.841 371 HB2 ASP 46 HB2 ASP 46 -12.481 -5.356 5.239 372 HB3 ASP 46 HB1 ASP 46 -12.396 -6.409 6.647 373 H ARG 47 HN ARG 47 -16.528 -5.128 7.423 374 HA ARG 47 HA ARG 47 -16.292 -6.032 10.022 375 HB2 ARG 47 HB2 ARG 47 -18.676 -6.383 8.205 376 HB3 ARG 47 HB1 ARG 47 -18.695 -6.388 9.965 377 HG2 ARG 47 HG2 ARG 47 -17.944 -4.058 9.976 378 HG3 ARG 47 HG1 ARG 47 -17.945 -4.055 8.212 379 HD2 ARG 47 HD2 ARG 47 -20.333 -4.481 8.193 380 HD3 ARG 47 HD1 ARG 47 -20.351 -4.567 9.953 381 HE ARG 47 HE ARG 47 -19.292 -2.091 9.212 382 HH11 ARG 47 HH11 ARG 47 -22.313 -3.825 9.065 383 HH12 ARG 47 HH12 ARG 47 -23.285 -2.392 9.102 384 HH21 ARG 47 HH21 ARG 47 -20.565 -0.199 9.262 385 HH22 ARG 47 HH22 ARG 47 -22.292 -0.331 9.214 386 H ASP 48 HN ASP 48 -16.921 -7.972 7.102 387 HA ASP 48 HA ASP 48 -17.180 -10.400 8.624 388 HB2 ASP 48 HB2 ASP 48 -17.066 -11.459 6.290 389 HB3 ASP 48 HB1 ASP 48 -18.427 -10.395 6.631 390 H GLY 49 HN GLY 49 -14.590 -8.601 7.316 391 HA2 GLY 49 HA2 GLY 49 -12.327 -8.951 7.272 392 HA3 GLY 49 HA1 GLY 49 -12.606 -10.163 8.511 393 H ASN 50 HN ASN 50 -14.091 -10.486 5.367 394 HA ASN 50 HA ASN 50 -12.809 -13.013 4.973 395 HB2 ASN 50 HB2 ASN 50 -14.018 -12.935 2.740 396 HB3 ASN 50 HB1 ASN 50 -15.038 -12.855 4.171 397 HD21 ASN 50 HD21 ASN 50 -16.689 -11.905 2.947 398 HD22 ASN 50 HD22 ASN 50 -16.623 -10.246 2.476 399 H GLY 51 HN GLY 51 -11.860 -9.858 4.366 400 HA2 GLY 51 HA2 GLY 51 -9.589 -9.494 3.603 401 HA3 GLY 51 HA1 GLY 51 -9.815 -10.814 2.466 402 H PHE 52 HN PHE 52 -12.592 -9.649 1.941 403 HA PHE 52 HA PHE 52 -11.715 -7.494 0.132 404 HB2 PHE 52 HB2 PHE 52 -14.148 -9.100 -0.495 405 HB3 PHE 52 HB1 PHE 52 -12.990 -8.346 -1.585 406 HD1 PHE 52 HD2 PHE 52 -10.884 -9.470 -2.130 407 HD2 PHE 52 HD1 PHE 52 -13.823 -11.316 0.332 408 HE1 PHE 52 HE2 PHE 52 -9.786 -11.647 -2.457 409 HE2 PHE 52 HE1 PHE 52 -12.731 -13.496 0.013 410 HZ PHE 52 HZ PHE 52 -10.707 -13.664 -1.386 411 H ILE 53 HN ILE 53 -12.956 -5.648 0.024 412 HA ILE 53 HA ILE 53 -15.004 -5.399 2.109 413 HB ILE 53 HB ILE 53 -13.554 -3.247 0.563 414 HG12 ILE 53 HG12 ILE 53 -13.241 -3.774 3.500 415 HG13 ILE 53 HG11 ILE 53 -12.343 -4.753 2.343 416 HG21 ILE 53 HG21 ILE 53 -15.755 -2.500 1.239 417 HG22 ILE 53 HG22 ILE 53 -14.525 -1.715 2.231 418 HG23 ILE 53 HG23 ILE 53 -15.465 -3.055 2.888 419 HD11 ILE 53 HD11 ILE 53 -11.339 -2.730 1.422 420 HD12 ILE 53 HD12 ILE 53 -11.008 -2.905 3.145 421 HD13 ILE 53 HD13 ILE 53 -12.230 -1.760 2.593 422 H SER 54 HN SER 54 -17.031 -5.677 1.471 423 HA SER 54 HA SER 54 -17.861 -5.492 -1.246 424 HB2 SER 54 HB2 SER 54 -18.922 -7.035 0.367 425 HB3 SER 54 HB1 SER 54 -19.553 -5.653 1.262 426 HG SER 54 HG SER 54 -20.622 -6.871 -0.836 427 H LYS 55 HN LYS 55 -20.057 -4.193 -1.619 428 HA LYS 55 HA LYS 55 -19.360 -1.483 -1.708 429 HB2 LYS 55 HB2 LYS 55 -22.107 -2.717 -1.969 430 HB3 LYS 55 HB1 LYS 55 -21.650 -1.106 -2.496 431 HG2 LYS 55 HG2 LYS 55 -21.532 -2.221 -4.474 432 HG3 LYS 55 HG1 LYS 55 -19.872 -2.429 -3.913 433 HD2 LYS 55 HD2 LYS 55 -20.657 -4.545 -4.714 434 HD3 LYS 55 HD1 LYS 55 -20.552 -4.634 -2.956 435 HE2 LYS 55 HE2 LYS 55 -22.968 -4.200 -2.806 436 HE3 LYS 55 HE1 LYS 55 -23.057 -4.160 -4.566 437 HZ1 LYS 55 HZ1 LYS 55 -22.241 -6.494 -2.920 438 HZ2 LYS 55 HZ2 LYS 55 -22.303 -6.461 -4.609 439 HZ3 LYS 55 HZ3 LYS 55 -23.727 -6.308 -3.709 440 H GLN 56 HN GLN 56 -21.894 -3.069 0.230 441 HA GLN 56 HA GLN 56 -22.708 -0.833 1.673 442 HB2 GLN 56 HB2 GLN 56 -23.812 -3.122 1.535 443 HB3 GLN 56 HB1 GLN 56 -22.684 -3.631 2.782 444 HG2 GLN 56 HG2 GLN 56 -24.829 -3.026 3.736 445 HG3 GLN 56 HG1 GLN 56 -23.560 -1.934 4.288 446 HE21 GLN 56 HE21 GLN 56 -24.955 -1.766 1.092 447 HE22 GLN 56 HE22 GLN 56 -25.790 -0.271 1.322 448 H GLU 57 HN GLU 57 -19.973 -2.963 2.186 449 HA GLU 57 HA GLU 57 -19.431 -2.087 4.849 450 HB2 GLU 57 HB2 GLU 57 -17.729 -3.524 2.809 451 HB3 GLU 57 HB1 GLU 57 -17.201 -3.188 4.452 452 HG2 GLU 57 HG2 GLU 57 -18.950 -4.553 5.360 453 HG3 GLU 57 HG1 GLU 57 -19.660 -4.778 3.762 454 H LEU 58 HN LEU 58 -18.005 -1.321 1.676 455 HA LEU 58 HA LEU 58 -16.133 0.555 2.612 456 HB2 LEU 58 HB2 LEU 58 -16.210 -0.477 0.312 457 HB3 LEU 58 HB1 LEU 58 -17.534 0.610 -0.064 458 HG LEU 58 HG LEU 58 -15.740 2.423 0.747 459 HD11 LEU 58 HD11 LEU 58 -14.025 0.770 1.256 460 HD12 LEU 58 HD12 LEU 58 -13.520 1.821 -0.068 461 HD13 LEU 58 HD13 LEU 58 -14.084 0.184 -0.406 462 HD21 LEU 58 HD21 LEU 58 -15.663 1.223 -2.014 463 HD22 LEU 58 HD22 LEU 58 -15.312 2.887 -1.553 464 HD23 LEU 58 HD23 LEU 58 -16.958 2.267 -1.432 465 H GLY 59 HN GLY 59 -19.542 0.695 2.237 466 HA2 GLY 59 HA2 GLY 59 -19.881 3.489 1.893 467 HA3 GLY 59 HA1 GLY 59 -21.090 2.372 2.511 468 H THR 60 HN THR 60 -19.088 1.536 4.615 469 HA THR 60 HA THR 60 -19.884 3.490 6.588 470 HB THR 60 HB THR 60 -18.164 1.014 6.887 471 HG1 THR 60 HG1 THR 60 -20.946 1.492 7.239 472 HG21 THR 60 HG21 THR 60 -17.772 2.622 8.683 473 HG22 THR 60 HG22 THR 60 -18.658 1.222 9.285 474 HG23 THR 60 HG23 THR 60 -19.507 2.736 8.975 475 H ALA 61 HN ALA 61 -17.028 2.530 4.837 476 HA ALA 61 HA ALA 61 -15.115 3.944 6.370 477 HB1 ALA 61 HB1 ALA 61 -13.640 3.652 4.454 478 HB2 ALA 61 HB2 ALA 61 -15.013 3.177 3.455 479 HB3 ALA 61 HB3 ALA 61 -14.512 2.161 4.807 480 H MET 62 HN MET 62 -16.910 4.809 3.423 481 HA MET 62 HA MET 62 -15.718 7.338 3.072 482 HB2 MET 62 HB2 MET 62 -18.383 6.272 2.135 483 HB3 MET 62 HB1 MET 62 -17.681 7.791 1.598 484 HG2 MET 62 HG2 MET 62 -16.474 5.060 1.214 485 HG3 MET 62 HG1 MET 62 -17.317 6.003 -0.015 486 HE1 MET 62 HE1 MET 62 -13.533 6.085 -1.133 487 HE2 MET 62 HE2 MET 62 -15.169 5.605 -1.584 488 HE3 MET 62 HE3 MET 62 -14.328 4.758 -0.287 489 H ARG 63 HN ARG 63 -18.867 6.446 4.510 490 HA ARG 63 HA ARG 63 -19.711 9.017 5.156 491 HB2 ARG 63 HB2 ARG 63 -21.238 7.997 6.723 492 HB3 ARG 63 HB1 ARG 63 -21.136 6.992 5.285 493 HG2 ARG 63 HG2 ARG 63 -19.652 5.454 6.441 494 HG3 ARG 63 HG1 ARG 63 -19.696 6.478 7.879 495 HD2 ARG 63 HD2 ARG 63 -22.137 6.128 8.011 496 HD3 ARG 63 HD1 ARG 63 -22.034 5.039 6.629 497 HE ARG 63 HE ARG 63 -20.259 4.196 8.654 498 HH11 ARG 63 HH11 ARG 63 -23.658 4.333 7.898 499 HH12 ARG 63 HH12 ARG 63 -24.062 2.962 8.875 500 HH21 ARG 63 HH21 ARG 63 -20.782 2.389 9.942 501 HH22 ARG 63 HH22 ARG 63 -22.426 1.855 10.036 502 H SER 64 HN SER 64 -17.462 6.907 6.790 503 HA SER 64 HA SER 64 -17.306 8.108 9.282 504 HB2 SER 64 HB2 SER 64 -16.114 6.031 8.713 505 HB3 SER 64 HB1 SER 64 -15.023 6.942 7.670 506 HG SER 64 HG SER 64 -14.481 6.435 10.046 507 H LEU 65 HN LEU 65 -15.917 9.121 6.222 508 HA LEU 65 HA LEU 65 -14.328 11.221 7.371 509 HB2 LEU 65 HB2 LEU 65 -15.143 11.013 4.484 510 HB3 LEU 65 HB1 LEU 65 -13.708 11.764 5.156 511 HG LEU 65 HG LEU 65 -14.260 8.795 5.086 512 HD11 LEU 65 HD11 LEU 65 -12.493 8.704 3.428 513 HD12 LEU 65 HD12 LEU 65 -12.308 10.455 3.501 514 HD13 LEU 65 HD13 LEU 65 -13.800 9.753 2.877 515 HD21 LEU 65 HD21 LEU 65 -12.931 9.421 7.027 516 HD22 LEU 65 HD22 LEU 65 -11.822 10.324 5.992 517 HD23 LEU 65 HD23 LEU 65 -11.941 8.571 5.839 518 H GLY 66 HN GLY 66 -17.592 10.855 6.409 519 HA2 GLY 66 HA2 GLY 66 -19.101 12.603 7.281 520 HA3 GLY 66 HA1 GLY 66 -17.975 13.778 6.618 521 H TYR 67 HN TYR 67 -18.387 11.057 4.639 522 HA TYR 67 HA TYR 67 -20.313 12.524 2.954 523 HB2 TYR 67 HB2 TYR 67 -18.102 10.670 2.042 524 HB3 TYR 67 HB1 TYR 67 -19.221 11.539 0.998 525 HD1 TYR 67 HD2 TYR 67 -19.007 13.958 0.687 526 HD2 TYR 67 HD1 TYR 67 -16.240 11.794 3.087 527 HE1 TYR 67 HE2 TYR 67 -17.458 15.866 0.612 528 HE2 TYR 67 HE1 TYR 67 -14.684 13.697 3.020 529 HH TYR 67 HH TYR 67 -15.593 16.774 1.940 530 H MET 68 HN MET 68 -22.221 11.543 3.322 531 HA MET 68 HA MET 68 -22.373 8.666 3.659 532 HB2 MET 68 HB2 MET 68 -24.626 10.673 3.587 533 HB3 MET 68 HB1 MET 68 -24.703 9.023 4.189 534 HG2 MET 68 HG2 MET 68 -23.086 9.640 5.957 535 HG3 MET 68 HG1 MET 68 -23.150 11.306 5.384 536 HE1 MET 68 HE1 MET 68 -23.612 10.613 8.323 537 HE2 MET 68 HE2 MET 68 -25.124 11.397 8.781 538 HE3 MET 68 HE3 MET 68 -23.939 12.268 7.807 539 HA PRO 69 HA PRO 69 -23.364 8.421 -0.753 540 HB2 PRO 69 HB2 PRO 69 -22.395 5.987 -1.200 541 HB3 PRO 69 HB1 PRO 69 -21.305 7.347 -0.904 542 HG2 PRO 69 HG2 PRO 69 -22.125 5.143 0.927 543 HG3 PRO 69 HG1 PRO 69 -20.555 5.947 0.770 544 HD2 PRO 69 HD2 PRO 69 -22.521 6.504 2.696 545 HD3 PRO 69 HD1 PRO 69 -21.118 7.515 2.310 546 H ASN 70 HN ASN 70 -25.096 7.552 -1.832 547 HA ASN 70 HA ASN 70 -27.036 6.103 -0.258 548 HB2 ASN 70 HB2 ASN 70 -27.183 6.924 -3.167 549 HB3 ASN 70 HB1 ASN 70 -28.526 6.395 -2.159 550 HD21 ASN 70 HD21 ASN 70 -26.395 8.980 -2.967 551 HD22 ASN 70 HD22 ASN 70 -27.196 10.208 -2.055 552 H GLU 71 HN GLU 71 -28.237 4.248 -1.442 553 HA GLU 71 HA GLU 71 -26.457 2.094 -1.718 554 HB2 GLU 71 HB2 GLU 71 -28.410 0.801 -2.456 555 HB3 GLU 71 HB1 GLU 71 -28.784 1.780 -1.045 556 HG2 GLU 71 HG2 GLU 71 -29.964 3.374 -2.383 557 HG3 GLU 71 HG1 GLU 71 -29.450 2.573 -3.869 558 H VAL 72 HN VAL 72 -27.484 4.472 -3.943 559 HA VAL 72 HA VAL 72 -26.786 2.886 -6.288 560 HB VAL 72 HB VAL 72 -27.227 5.711 -6.801 561 HG11 VAL 72 HG11 VAL 72 -28.896 4.815 -8.361 562 HG12 VAL 72 HG12 VAL 72 -28.677 3.212 -7.659 563 HG13 VAL 72 HG13 VAL 72 -27.342 3.992 -8.508 564 HG21 VAL 72 HG21 VAL 72 -28.589 5.671 -4.806 565 HG22 VAL 72 HG22 VAL 72 -29.410 4.211 -5.358 566 HG23 VAL 72 HG23 VAL 72 -29.632 5.728 -6.227 567 H GLU 73 HN GLU 73 -25.345 5.116 -4.128 568 HA GLU 73 HA GLU 73 -23.330 6.023 -6.006 569 HB2 GLU 73 HB2 GLU 73 -23.583 6.526 -3.038 570 HB3 GLU 73 HB1 GLU 73 -22.465 7.334 -4.128 571 HG2 GLU 73 HG2 GLU 73 -25.468 7.503 -4.189 572 HG3 GLU 73 HG1 GLU 73 -24.349 8.758 -3.662 573 H LEU 74 HN LEU 74 -23.274 4.226 -2.906 574 HA LEU 74 HA LEU 74 -20.551 3.651 -2.931 575 HB2 LEU 74 HB2 LEU 74 -20.932 2.250 -1.152 576 HB3 LEU 74 HB1 LEU 74 -22.338 3.291 -1.088 577 HG LEU 74 HG LEU 74 -22.257 0.482 -2.189 578 HD11 LEU 74 HD11 LEU 74 -22.125 0.615 0.251 579 HD12 LEU 74 HD12 LEU 74 -23.660 -0.064 -0.286 580 HD13 LEU 74 HD13 LEU 74 -23.581 1.608 0.272 581 HD21 LEU 74 HD21 LEU 74 -23.826 1.922 -3.412 582 HD22 LEU 74 HD22 LEU 74 -24.601 2.343 -1.884 583 HD23 LEU 74 HD23 LEU 74 -24.644 0.680 -2.466 584 H GLU 75 HN GLU 75 -22.967 2.469 -4.992 585 HA GLU 75 HA GLU 75 -21.631 -0.024 -5.606 586 HB2 GLU 75 HB2 GLU 75 -24.018 1.363 -6.828 587 HB3 GLU 75 HB1 GLU 75 -23.375 -0.159 -7.429 588 HG2 GLU 75 HG2 GLU 75 -23.743 -1.116 -5.150 589 HG3 GLU 75 HG1 GLU 75 -24.578 0.376 -4.729 590 H VAL 76 HN VAL 76 -21.865 3.212 -6.966 591 HA VAL 76 HA VAL 76 -20.459 2.455 -9.376 592 HB VAL 76 HB VAL 76 -20.576 4.798 -10.013 593 HG11 VAL 76 HG11 VAL 76 -23.005 5.041 -10.100 594 HG12 VAL 76 HG12 VAL 76 -23.177 3.807 -8.852 595 HG13 VAL 76 HG13 VAL 76 -22.517 3.379 -10.431 596 HG21 VAL 76 HG21 VAL 76 -20.208 5.731 -7.744 597 HG22 VAL 76 HG22 VAL 76 -21.871 5.304 -7.339 598 HG23 VAL 76 HG23 VAL 76 -21.548 6.486 -8.605 599 H ILE 77 HN ILE 77 -19.646 3.557 -6.240 600 HA ILE 77 HA ILE 77 -17.091 4.676 -6.970 601 HB ILE 77 HB ILE 77 -18.200 3.933 -4.259 602 HG12 ILE 77 HG12 ILE 77 -17.832 6.756 -5.050 603 HG13 ILE 77 HG11 ILE 77 -19.102 5.890 -5.910 604 HG21 ILE 77 HG21 ILE 77 -15.778 3.970 -4.212 605 HG22 ILE 77 HG22 ILE 77 -16.418 5.380 -3.369 606 HG23 ILE 77 HG23 ILE 77 -15.764 5.549 -4.998 607 HD11 ILE 77 HD11 ILE 77 -20.132 5.299 -3.784 608 HD12 ILE 77 HD12 ILE 77 -19.985 7.045 -3.976 609 HD13 ILE 77 HD13 ILE 77 -18.865 6.175 -2.926 610 H ILE 78 HN ILE 78 -18.352 1.578 -6.085 611 HA ILE 78 HA ILE 78 -15.866 0.415 -5.284 612 HB ILE 78 HB ILE 78 -18.565 -0.730 -5.944 613 HG12 ILE 78 HG12 ILE 78 -18.167 0.411 -3.756 614 HG13 ILE 78 HG11 ILE 78 -18.624 -1.281 -3.595 615 HG21 ILE 78 HG21 ILE 78 -17.066 -2.393 -6.768 616 HG22 ILE 78 HG22 ILE 78 -17.663 -2.941 -5.201 617 HG23 ILE 78 HG23 ILE 78 -16.042 -2.259 -5.338 618 HD11 ILE 78 HD11 ILE 78 -16.301 -1.880 -3.197 619 HD12 ILE 78 HD12 ILE 78 -16.852 -0.666 -2.044 620 HD13 ILE 78 HD13 ILE 78 -15.825 -0.194 -3.398 621 H GLN 79 HN GLN 79 -17.536 0.799 -8.351 622 HA GLN 79 HA GLN 79 -15.965 -1.198 -9.698 623 HB2 GLN 79 HB2 GLN 79 -17.063 -0.404 -11.730 624 HB3 GLN 79 HB1 GLN 79 -18.238 -0.681 -10.453 625 HG2 GLN 79 HG2 GLN 79 -18.406 1.675 -10.023 626 HG3 GLN 79 HG1 GLN 79 -17.109 2.014 -11.167 627 HE21 GLN 79 HE21 GLN 79 -18.383 3.345 -12.428 628 HE22 GLN 79 HE22 GLN 79 -19.653 2.743 -13.433 629 H ARG 80 HN ARG 80 -15.316 1.910 -8.633 630 HA ARG 80 HA ARG 80 -13.693 2.753 -10.859 631 HB2 ARG 80 HB2 ARG 80 -13.882 3.854 -8.049 632 HB3 ARG 80 HB1 ARG 80 -13.058 4.625 -9.396 633 HG2 ARG 80 HG2 ARG 80 -16.007 4.024 -9.302 634 HG3 ARG 80 HG1 ARG 80 -15.278 5.587 -8.932 635 HD2 ARG 80 HD2 ARG 80 -14.376 5.708 -11.199 636 HD3 ARG 80 HD1 ARG 80 -15.077 4.134 -11.569 637 HE ARG 80 HE ARG 80 -17.067 5.948 -10.674 638 HH11 ARG 80 HH11 ARG 80 -15.092 5.157 -13.434 639 HH12 ARG 80 HH12 ARG 80 -16.212 5.806 -14.584 640 HH21 ARG 80 HH21 ARG 80 -18.548 6.805 -12.180 641 HH22 ARG 80 HH22 ARG 80 -18.178 6.743 -13.871 642 H LEU 81 HN LEU 81 -13.213 1.167 -7.767 643 HA LEU 81 HA LEU 81 -10.315 1.126 -8.206 644 HB2 LEU 81 HB2 LEU 81 -12.003 0.469 -5.798 645 HB3 LEU 81 HB1 LEU 81 -10.283 0.146 -5.872 646 HG LEU 81 HG LEU 81 -9.967 2.631 -6.313 647 HD11 LEU 81 HD11 LEU 81 -12.842 2.677 -5.406 648 HD12 LEU 81 HD12 LEU 81 -12.216 3.203 -6.970 649 HD13 LEU 81 HD13 LEU 81 -11.787 4.088 -5.506 650 HD21 LEU 81 HD21 LEU 81 -11.137 1.755 -3.674 651 HD22 LEU 81 HD22 LEU 81 -10.156 3.197 -3.938 652 HD23 LEU 81 HD23 LEU 81 -9.453 1.596 -4.173 653 H ASP 82 HN ASP 82 -13.113 -0.981 -7.865 654 HA ASP 82 HA ASP 82 -11.625 -3.417 -7.936 655 HB2 ASP 82 HB2 ASP 82 -13.978 -3.078 -7.002 656 HB3 ASP 82 HB1 ASP 82 -14.534 -3.100 -8.672 657 H MET 83 HN MET 83 -10.262 -3.231 -9.719 658 HA MET 83 HA MET 83 -10.936 -2.550 -12.314 659 HB2 MET 83 HB2 MET 83 -8.885 -4.588 -11.441 660 HB3 MET 83 HB1 MET 83 -8.929 -3.773 -12.998 661 HG2 MET 83 HG2 MET 83 -8.489 -2.480 -10.316 662 HG3 MET 83 HG1 MET 83 -7.269 -2.770 -11.556 663 HE1 MET 83 HE1 MET 83 -6.597 -0.129 -11.358 664 HE2 MET 83 HE2 MET 83 -7.853 0.029 -10.129 665 HE3 MET 83 HE3 MET 83 -7.798 1.158 -11.483 666 H ASP 84 HN ASP 84 -10.719 -5.857 -10.979 667 HA ASP 84 HA ASP 84 -11.782 -7.069 -13.316 668 HB2 ASP 84 HB2 ASP 84 -11.944 -9.110 -11.941 669 HB3 ASP 84 HB1 ASP 84 -10.372 -8.331 -11.783 670 H GLY 85 HN GLY 85 -13.209 -5.514 -10.613 671 HA2 GLY 85 HA2 GLY 85 -15.396 -4.953 -10.192 672 HA3 GLY 85 HA1 GLY 85 -15.804 -5.614 -11.766 673 H ASP 86 HN ASP 86 -14.467 -7.143 -8.833 674 HA ASP 86 HA ASP 86 -16.429 -9.270 -9.088 675 HB2 ASP 86 HB2 ASP 86 -15.185 -10.380 -7.304 676 HB3 ASP 86 HB1 ASP 86 -14.084 -9.828 -8.562 677 H GLY 87 HN GLY 87 -16.869 -6.350 -8.066 678 HA2 GLY 87 HA2 GLY 87 -18.584 -5.500 -6.752 679 HA3 GLY 87 HA1 GLY 87 -18.843 -7.109 -6.094 680 H GLN 88 HN GLN 88 -15.748 -7.000 -5.631 681 HA GLN 88 HA GLN 88 -15.807 -5.307 -3.229 682 HB2 GLN 88 HB2 GLN 88 -14.733 -8.132 -3.341 683 HB3 GLN 88 HB1 GLN 88 -14.685 -7.063 -1.945 684 HG2 GLN 88 HG2 GLN 88 -17.151 -7.040 -1.922 685 HG3 GLN 88 HG1 GLN 88 -17.148 -8.191 -3.258 686 HE21 GLN 88 HE21 GLN 88 -16.520 -7.716 0.123 687 HE22 GLN 88 HE22 GLN 88 -16.413 -9.387 0.549 688 H VAL 89 HN VAL 89 -13.935 -4.246 -2.762 689 HA VAL 89 HA VAL 89 -11.932 -4.162 -4.833 690 HB VAL 89 HB VAL 89 -12.057 -2.661 -2.213 691 HG11 VAL 89 HG11 VAL 89 -9.795 -2.743 -3.077 692 HG12 VAL 89 HG12 VAL 89 -10.459 -1.122 -3.288 693 HG13 VAL 89 HG13 VAL 89 -10.357 -2.220 -4.666 694 HG21 VAL 89 HG21 VAL 89 -12.900 -1.840 -4.990 695 HG22 VAL 89 HG22 VAL 89 -12.864 -0.785 -3.578 696 HG23 VAL 89 HG23 VAL 89 -13.969 -2.157 -3.624 697 H ASP 90 HN ASP 90 -10.016 -5.136 -4.843 698 HA ASP 90 HA ASP 90 -9.276 -6.793 -2.568 699 HB2 ASP 90 HB2 ASP 90 -9.241 -7.813 -4.787 700 HB3 ASP 90 HB1 ASP 90 -8.091 -6.603 -5.344 701 H PHE 91 HN PHE 91 -7.237 -6.739 -1.571 702 HA PHE 91 HA PHE 91 -6.248 -4.286 -0.836 703 HB2 PHE 91 HB2 PHE 91 -5.762 -6.275 0.442 704 HB3 PHE 91 HB1 PHE 91 -4.835 -6.956 -0.891 705 HD1 PHE 91 HD2 PHE 91 -4.895 -3.873 1.214 706 HD2 PHE 91 HD1 PHE 91 -2.552 -6.823 -0.765 707 HE1 PHE 91 HE2 PHE 91 -2.849 -2.848 2.116 708 HE2 PHE 91 HE1 PHE 91 -0.502 -5.803 0.134 709 HZ PHE 91 HZ PHE 91 -0.648 -3.813 1.577 710 H GLU 92 HN GLU 92 -4.695 -6.508 -3.158 711 HA GLU 92 HA GLU 92 -2.523 -5.040 -3.897 712 HB2 GLU 92 HB2 GLU 92 -4.293 -6.704 -5.691 713 HB3 GLU 92 HB1 GLU 92 -2.675 -6.157 -6.113 714 HG2 GLU 92 HG2 GLU 92 -1.751 -7.428 -4.252 715 HG3 GLU 92 HG1 GLU 92 -3.372 -7.960 -3.805 716 H GLU 93 HN GLU 93 -5.677 -4.872 -5.565 717 HA GLU 93 HA GLU 93 -5.124 -2.921 -7.400 718 HB2 GLU 93 HB2 GLU 93 -7.695 -3.176 -5.833 719 HB3 GLU 93 HB1 GLU 93 -7.505 -2.384 -7.391 720 HG2 GLU 93 HG2 GLU 93 -6.933 -4.501 -8.425 721 HG3 GLU 93 HG1 GLU 93 -7.040 -5.310 -6.862 722 H PHE 94 HN PHE 94 -5.777 -2.489 -3.967 723 HA PHE 94 HA PHE 94 -5.780 0.407 -4.241 724 HB2 PHE 94 HB2 PHE 94 -7.398 -0.658 -2.727 725 HB3 PHE 94 HB1 PHE 94 -6.074 -1.315 -1.772 726 HD1 PHE 94 HD1 PHE 94 -7.093 2.016 -3.129 727 HD2 PHE 94 HD2 PHE 94 -5.652 -0.223 0.191 728 HE1 PHE 94 HE1 PHE 94 -7.083 4.061 -1.760 729 HE2 PHE 94 HE2 PHE 94 -5.640 1.818 1.567 730 HZ PHE 94 HZ PHE 94 -6.356 3.963 0.591 731 H VAL 95 HN VAL 95 -3.540 -2.104 -3.478 732 HA VAL 95 HA VAL 95 -1.790 -0.478 -1.892 733 HB VAL 95 HB VAL 95 -1.966 -3.099 -2.010 734 HG11 VAL 95 HG11 VAL 95 0.253 -2.600 -3.988 735 HG12 VAL 95 HG12 VAL 95 -1.343 -3.214 -4.408 736 HG13 VAL 95 HG13 VAL 95 -0.285 -4.159 -3.364 737 HG21 VAL 95 HG21 VAL 95 -0.574 -1.863 -0.451 738 HG22 VAL 95 HG22 VAL 95 0.654 -1.642 -1.696 739 HG23 VAL 95 HG23 VAL 95 0.298 -3.257 -1.086 740 H THR 96 HN THR 96 -2.172 -1.135 -5.298 741 HA THR 96 HA THR 96 0.391 -0.017 -6.012 742 HB THR 96 HB THR 96 -1.957 -0.691 -7.796 743 HG1 THR 96 HG1 THR 96 -0.913 -2.448 -6.506 744 HG21 THR 96 HG21 THR 96 0.965 -0.260 -8.437 745 HG22 THR 96 HG22 THR 96 -0.354 0.844 -8.832 746 HG23 THR 96 HG23 THR 96 -0.282 -0.748 -9.585 747 H LEU 97 HN LEU 97 -3.015 0.965 -6.207 748 HA LEU 97 HA LEU 97 -2.567 3.435 -7.488 749 HB2 LEU 97 HB2 LEU 97 -4.809 2.564 -5.664 750 HB3 LEU 97 HB1 LEU 97 -4.824 4.031 -6.623 751 HG LEU 97 HG LEU 97 -4.659 1.242 -7.770 752 HD11 LEU 97 HD11 LEU 97 -7.007 3.121 -7.553 753 HD12 LEU 97 HD12 LEU 97 -6.805 1.595 -6.690 754 HD13 LEU 97 HD13 LEU 97 -6.988 1.600 -8.445 755 HD21 LEU 97 HD21 LEU 97 -5.110 3.921 -9.083 756 HD22 LEU 97 HD22 LEU 97 -5.152 2.354 -9.891 757 HD23 LEU 97 HD23 LEU 97 -3.645 2.945 -9.192 758 H LEU 98 HN LEU 98 -1.897 2.407 -4.321 759 HA LEU 98 HA LEU 98 -1.718 5.193 -3.381 760 HB2 LEU 98 HB2 LEU 98 -3.209 3.670 -2.093 761 HB3 LEU 98 HB1 LEU 98 -1.817 2.667 -1.730 762 HG LEU 98 HG LEU 98 -1.659 5.542 -0.979 763 HD11 LEU 98 HD11 LEU 98 -2.843 5.110 1.122 764 HD12 LEU 98 HD12 LEU 98 -3.298 3.512 0.532 765 HD13 LEU 98 HD13 LEU 98 -3.910 4.956 -0.273 766 HD21 LEU 98 HD21 LEU 98 -0.446 4.608 0.925 767 HD22 LEU 98 HD22 LEU 98 0.224 4.031 -0.600 768 HD23 LEU 98 HD23 LEU 98 -0.810 2.976 0.363 769 H GLY 99 HN GLY 99 0.028 2.266 -4.006 770 HA2 GLY 99 HA2 GLY 99 2.528 3.668 -3.367 771 HA3 GLY 99 HA1 GLY 99 2.249 2.083 -2.668 772 HA PRO 100 HA PRO 100 3.008 1.730 -7.482 773 HB2 PRO 100 HB2 PRO 100 5.022 3.364 -8.297 774 HB3 PRO 100 HB1 PRO 100 3.315 3.809 -8.405 775 HG2 PRO 100 HG2 PRO 100 5.344 4.567 -6.338 776 HG3 PRO 100 HG1 PRO 100 4.121 5.579 -7.130 777 HD2 PRO 100 HD2 PRO 100 3.779 4.582 -4.642 778 HD3 PRO 100 HD1 PRO 100 2.423 4.816 -5.764 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 42.536 4.659 34.520 2 H2 MET 1 HT2 MET 1 42.479 4.572 32.832 3 H3 MET 1 HT3 MET 1 43.698 3.760 33.679 4 HA MET 1 HA MET 1 40.801 3.164 33.802 5 HB2 MET 1 HB2 MET 1 41.432 1.057 32.674 6 HB3 MET 1 HB1 MET 1 41.764 2.470 31.684 7 HG2 MET 1 HG2 MET 1 44.118 2.346 32.255 8 HG3 MET 1 HG1 MET 1 43.805 0.970 33.310 9 HE1 MET 1 HE1 MET 1 42.122 1.682 29.836 10 HE2 MET 1 HE2 MET 1 43.204 0.830 28.734 11 HE3 MET 1 HE3 MET 1 43.767 2.267 29.589 12 HA PRO 2 HA PRO 2 41.804 1.208 37.647 13 HB2 PRO 2 HB2 PRO 2 39.692 -0.437 37.921 14 HB3 PRO 2 HB1 PRO 2 39.532 1.320 38.048 15 HG2 PRO 2 HG2 PRO 2 38.915 -0.478 35.735 16 HG3 PRO 2 HG1 PRO 2 37.983 0.891 36.367 17 HD2 PRO 2 HD2 PRO 2 39.620 1.058 34.185 18 HD3 PRO 2 HD1 PRO 2 39.258 2.434 35.246 19 H PHE 3 HN PHE 3 42.738 -0.636 38.470 20 HA PHE 3 HA PHE 3 43.644 -2.575 36.537 21 HB2 PHE 3 HB2 PHE 3 44.924 -3.502 38.482 22 HB3 PHE 3 HB1 PHE 3 45.251 -1.805 38.146 23 HD1 PHE 3 HD1 PHE 3 43.501 -4.126 40.416 24 HD2 PHE 3 HD2 PHE 3 44.780 -0.123 39.740 25 HE1 PHE 3 HE1 PHE 3 42.961 -3.562 42.750 26 HE2 PHE 3 HE2 PHE 3 44.243 0.447 42.073 27 HZ PHE 3 HZ PHE 3 43.332 -1.274 43.581 28 H HIS 4 HN HIS 4 40.780 -2.355 37.830 29 HA HIS 4 HA HIS 4 40.536 -5.153 38.678 30 HB2 HIS 4 HB2 HIS 4 39.609 -3.403 40.174 31 HB3 HIS 4 HB1 HIS 4 38.510 -2.918 38.887 32 HD1 HIS 4 HD1 HIS 4 36.325 -4.118 38.778 33 HD2 HIS 4 HD2 HIS 4 39.112 -6.126 41.116 34 HE1 HIS 4 HE1 HIS 4 35.066 -6.017 39.840 35 HE2 HIS 4 HE2 HIS 4 36.778 -7.234 41.234 36 HA PRO 5 HA PRO 5 38.893 -5.593 34.452 37 HB2 PRO 5 HB2 PRO 5 39.316 -8.238 34.235 38 HB3 PRO 5 HB1 PRO 5 40.633 -7.069 34.073 39 HG2 PRO 5 HG2 PRO 5 39.856 -8.727 36.446 40 HG3 PRO 5 HG1 PRO 5 41.471 -8.423 35.778 41 HD2 PRO 5 HD2 PRO 5 40.479 -7.083 37.928 42 HD3 PRO 5 HD1 PRO 5 41.639 -6.365 36.793 43 H VAL 6 HN VAL 6 37.114 -6.837 33.542 44 HA VAL 6 HA VAL 6 35.162 -7.616 35.604 45 HB VAL 6 HB VAL 6 34.558 -6.840 32.750 46 HG11 VAL 6 HG11 VAL 6 32.844 -8.186 33.843 47 HG12 VAL 6 HG12 VAL 6 32.281 -6.533 33.591 48 HG13 VAL 6 HG13 VAL 6 32.803 -7.053 35.194 49 HG21 VAL 6 HG21 VAL 6 33.890 -4.651 33.626 50 HG22 VAL 6 HG22 VAL 6 35.609 -4.954 33.877 51 HG23 VAL 6 HG23 VAL 6 34.479 -5.113 35.222 52 H THR 7 HN THR 7 36.378 -8.486 32.386 53 HA THR 7 HA THR 7 36.029 -11.294 32.971 54 HB THR 7 HB THR 7 34.533 -10.077 30.638 55 HG1 THR 7 HG1 THR 7 32.785 -10.204 31.863 56 HG21 THR 7 HG21 THR 7 35.407 -12.285 30.111 57 HG22 THR 7 HG22 THR 7 33.659 -12.366 30.332 58 HG23 THR 7 HG23 THR 7 34.736 -12.931 31.609 59 H ALA 8 HN ALA 8 36.375 -9.186 30.113 60 HA ALA 8 HA ALA 8 39.115 -9.804 29.723 61 HB1 ALA 8 HB1 ALA 8 38.937 -11.140 27.682 62 HB2 ALA 8 HB2 ALA 8 37.185 -11.202 27.873 63 HB3 ALA 8 HB3 ALA 8 38.230 -11.979 29.063 64 H ALA 9 HN ALA 9 39.896 -8.986 27.557 65 HA ALA 9 HA ALA 9 39.056 -6.361 27.146 66 HB1 ALA 9 HB1 ALA 9 41.275 -7.226 26.520 67 HB2 ALA 9 HB2 ALA 9 40.497 -6.351 25.201 68 HB3 ALA 9 HB3 ALA 9 40.535 -8.114 25.188 69 H LEU 10 HN LEU 10 38.797 -8.925 24.691 70 HA LEU 10 HA LEU 10 36.314 -7.658 23.748 71 HB2 LEU 10 HB2 LEU 10 38.412 -9.288 22.337 72 HB3 LEU 10 HB1 LEU 10 36.818 -9.061 21.649 73 HG LEU 10 HG LEU 10 38.362 -7.495 20.656 74 HD11 LEU 10 HD11 LEU 10 36.522 -6.081 22.578 75 HD12 LEU 10 HD12 LEU 10 36.065 -6.741 21.007 76 HD13 LEU 10 HD13 LEU 10 37.211 -5.403 21.102 77 HD21 LEU 10 HD21 LEU 10 39.505 -5.787 21.969 78 HD22 LEU 10 HD22 LEU 10 40.009 -7.407 22.454 79 HD23 LEU 10 HD23 LEU 10 38.876 -6.499 23.455 80 H MET 11 HN MET 11 34.456 -8.731 23.945 81 HA MET 11 HA MET 11 34.583 -11.582 24.669 82 HB2 MET 11 HB2 MET 11 32.407 -11.233 25.783 83 HB3 MET 11 HB1 MET 11 33.674 -10.213 26.454 84 HG2 MET 11 HG2 MET 11 32.831 -8.342 25.066 85 HG3 MET 11 HG1 MET 11 31.500 -9.376 24.552 86 HE1 MET 11 HE1 MET 11 29.786 -6.827 27.003 87 HE2 MET 11 HE2 MET 11 29.694 -7.577 25.409 88 HE3 MET 11 HE3 MET 11 31.059 -6.539 25.817 89 H TYR 12 HN TYR 12 31.966 -12.294 24.313 90 HA TYR 12 HA TYR 12 31.838 -12.941 21.612 91 HB2 TYR 12 HB2 TYR 12 29.543 -12.791 23.578 92 HB3 TYR 12 HB1 TYR 12 29.542 -13.681 22.058 93 HD1 TYR 12 HD1 TYR 12 30.841 -15.742 21.824 94 HD2 TYR 12 HD2 TYR 12 30.709 -13.634 25.517 95 HE1 TYR 12 HE1 TYR 12 31.739 -17.719 22.979 96 HE2 TYR 12 HE2 TYR 12 31.608 -15.605 26.681 97 HH TYR 12 HH TYR 12 32.949 -18.260 25.035 98 H ARG 13 HN ARG 13 29.977 -10.472 23.385 99 HA ARG 13 HA ARG 13 28.827 -8.638 22.689 100 HB2 ARG 13 HB2 ARG 13 31.135 -8.775 20.797 101 HB3 ARG 13 HB1 ARG 13 29.866 -7.598 20.495 102 HG2 ARG 13 HG2 ARG 13 31.378 -7.819 23.087 103 HG3 ARG 13 HG1 ARG 13 31.802 -6.715 21.776 104 HD2 ARG 13 HD2 ARG 13 29.516 -5.741 21.950 105 HD3 ARG 13 HD1 ARG 13 29.238 -6.759 23.363 106 HE ARG 13 HE ARG 13 31.530 -5.392 23.941 107 HH11 ARG 13 HH11 ARG 13 28.289 -4.500 23.030 108 HH12 ARG 13 HH12 ARG 13 28.318 -3.000 23.897 109 HH21 ARG 13 HH21 ARG 13 31.578 -3.420 25.088 110 HH22 ARG 13 HH22 ARG 13 30.188 -2.387 25.068 111 H GLY 14 HN GLY 14 26.976 -10.019 22.268 112 HA2 GLY 14 HA2 GLY 14 26.474 -10.625 19.444 113 HA3 GLY 14 HA1 GLY 14 25.527 -11.200 20.809 114 H ILE 15 HN ILE 15 26.093 -8.554 18.613 115 HA ILE 15 HA ILE 15 23.512 -7.399 19.433 116 HB ILE 15 HB ILE 15 25.313 -5.972 20.282 117 HG12 ILE 15 HG12 ILE 15 23.950 -4.674 17.916 118 HG13 ILE 15 HG11 ILE 15 23.141 -5.030 19.438 119 HG21 ILE 15 HG21 ILE 15 26.139 -5.724 17.392 120 HG22 ILE 15 HG22 ILE 15 27.044 -6.537 18.670 121 HG23 ILE 15 HG23 ILE 15 26.803 -4.791 18.735 122 HD11 ILE 15 HD11 ILE 15 24.675 -3.546 20.604 123 HD12 ILE 15 HD12 ILE 15 23.821 -2.707 19.310 124 HD13 ILE 15 HD13 ILE 15 25.500 -3.199 19.085 125 H TYR 16 HN TYR 16 22.142 -6.894 17.842 126 HA TYR 16 HA TYR 16 21.174 -7.128 15.783 127 HB2 TYR 16 HB2 TYR 16 23.588 -5.399 15.261 128 HB3 TYR 16 HB1 TYR 16 22.375 -5.712 14.024 129 HD1 TYR 16 HD1 TYR 16 21.853 -5.131 17.665 130 HD2 TYR 16 HD2 TYR 16 21.362 -3.623 13.718 131 HE1 TYR 16 HE1 TYR 16 20.492 -3.295 18.549 132 HE2 TYR 16 HE2 TYR 16 19.995 -1.775 14.592 133 HH TYR 16 HH TYR 16 18.605 -1.291 16.579 134 H THR 17 HN THR 17 21.625 -9.456 15.776 135 HA THR 17 HA THR 17 23.740 -10.260 13.908 136 HB THR 17 HB THR 17 23.267 -12.573 14.679 137 HG1 THR 17 HG1 THR 17 21.194 -11.248 15.953 138 HG21 THR 17 HG21 THR 17 25.021 -11.258 15.763 139 HG22 THR 17 HG22 THR 17 24.222 -12.318 16.925 140 HG23 THR 17 HG23 THR 17 23.838 -10.596 16.891 141 H VAL 18 HN VAL 18 22.940 -9.953 11.889 142 HA VAL 18 HA VAL 18 20.254 -10.864 11.237 143 HB VAL 18 HB VAL 18 20.806 -9.945 8.949 144 HG11 VAL 18 HG11 VAL 18 20.571 -7.608 9.651 145 HG12 VAL 18 HG12 VAL 18 21.002 -8.064 11.299 146 HG13 VAL 18 HG13 VAL 18 19.515 -8.676 10.576 147 HG21 VAL 18 HG21 VAL 18 23.223 -10.078 9.043 148 HG22 VAL 18 HG22 VAL 18 23.259 -8.955 10.403 149 HG23 VAL 18 HG23 VAL 18 22.728 -8.400 8.815 150 HA PRO 19 HA PRO 19 21.994 -14.790 9.896 151 HB2 PRO 19 HB2 PRO 19 19.278 -15.407 8.995 152 HB3 PRO 19 HB1 PRO 19 20.240 -16.186 10.251 153 HG2 PRO 19 HG2 PRO 19 18.076 -14.675 10.819 154 HG3 PRO 19 HG1 PRO 19 19.480 -14.773 11.899 155 HD2 PRO 19 HD2 PRO 19 18.733 -12.625 9.948 156 HD3 PRO 19 HD1 PRO 19 19.387 -12.476 11.594 157 H ASN 20 HN ASN 20 19.345 -13.518 7.867 158 HA ASN 20 HA ASN 20 21.100 -13.847 5.523 159 HB2 ASN 20 HB2 ASN 20 18.107 -14.291 5.614 160 HB3 ASN 20 HB1 ASN 20 19.139 -14.466 4.197 161 HD21 ASN 20 HD21 ASN 20 17.413 -16.411 5.529 162 HD22 ASN 20 HD22 ASN 20 18.433 -17.740 5.950 163 H LEU 21 HN LEU 21 21.689 -11.827 5.004 164 HA LEU 21 HA LEU 21 19.550 -9.832 4.670 165 HB2 LEU 21 HB2 LEU 21 21.612 -9.691 6.523 166 HB3 LEU 21 HB1 LEU 21 22.170 -8.683 5.203 167 HG LEU 21 HG LEU 21 21.015 -7.349 6.876 168 HD11 LEU 21 HD11 LEU 21 19.469 -7.630 4.305 169 HD12 LEU 21 HD12 LEU 21 20.868 -6.594 4.589 170 HD13 LEU 21 HD13 LEU 21 19.347 -6.269 5.420 171 HD21 LEU 21 HD21 LEU 21 18.628 -7.645 7.304 172 HD22 LEU 21 HD22 LEU 21 19.546 -9.076 7.777 173 HD23 LEU 21 HD23 LEU 21 18.618 -9.079 6.278 174 H LEU 22 HN LEU 22 21.177 -11.760 2.910 175 HA LEU 22 HA LEU 22 22.223 -9.773 1.012 176 HB2 LEU 22 HB2 LEU 22 23.598 -11.452 0.072 177 HB3 LEU 22 HB1 LEU 22 23.763 -11.594 1.811 178 HG LEU 22 HG LEU 22 21.930 -13.361 0.195 179 HD11 LEU 22 HD11 LEU 22 23.675 -15.065 0.330 180 HD12 LEU 22 HD12 LEU 22 24.767 -13.890 1.063 181 HD13 LEU 22 HD13 LEU 22 24.212 -13.663 -0.596 182 HD21 LEU 22 HD21 LEU 22 22.126 -14.820 2.179 183 HD22 LEU 22 HD22 LEU 22 21.376 -13.268 2.540 184 HD23 LEU 22 HD23 LEU 22 23.058 -13.558 2.984 185 H SER 23 HN SER 23 19.738 -12.055 1.565 186 HA SER 23 HA SER 23 19.048 -12.410 -1.219 187 HB2 SER 23 HB2 SER 23 17.560 -13.191 1.301 188 HB3 SER 23 HB1 SER 23 17.115 -13.673 -0.336 189 HG SER 23 HG SER 23 19.485 -14.448 -0.295 190 H GLU 24 HN GLU 24 17.540 -10.833 1.603 191 HA GLU 24 HA GLU 24 15.579 -9.530 -0.069 192 HB2 GLU 24 HB2 GLU 24 14.782 -8.517 2.025 193 HB3 GLU 24 HB1 GLU 24 14.941 -10.263 2.166 194 HG2 GLU 24 HG2 GLU 24 17.022 -10.008 3.374 195 HG3 GLU 24 HG1 GLU 24 16.952 -8.259 3.168 196 H GLN 25 HN GLN 25 18.625 -8.749 1.431 197 HA GLN 25 HA GLN 25 19.986 -6.931 1.331 198 HB2 GLN 25 HB2 GLN 25 19.309 -7.391 -1.181 199 HB3 GLN 25 HB1 GLN 25 18.470 -5.855 -1.010 200 HG2 GLN 25 HG2 GLN 25 20.660 -5.523 -1.967 201 HG3 GLN 25 HG1 GLN 25 20.573 -4.782 -0.370 202 HE21 GLN 25 HE21 GLN 25 21.744 -5.671 1.326 203 HE22 GLN 25 HE22 GLN 25 23.021 -6.807 1.069 204 H ARG 26 HN ARG 26 19.746 -4.314 0.823 205 HA ARG 26 HA ARG 26 18.336 -3.306 3.009 206 HB2 ARG 26 HB2 ARG 26 18.759 -1.070 1.989 207 HB3 ARG 26 HB1 ARG 26 20.192 -2.081 2.094 208 HG2 ARG 26 HG2 ARG 26 19.979 -2.647 -0.267 209 HG3 ARG 26 HG1 ARG 26 18.526 -1.652 -0.377 210 HD2 ARG 26 HD2 ARG 26 21.272 -0.657 0.375 211 HD3 ARG 26 HD1 ARG 26 20.531 -0.494 -1.216 212 HE ARG 26 HE ARG 26 18.801 0.611 0.687 213 HH11 ARG 26 HH11 ARG 26 21.929 1.216 -0.726 214 HH12 ARG 26 HH12 ARG 26 21.833 2.933 -0.518 215 HH21 ARG 26 HH21 ARG 26 18.665 2.871 0.960 216 HH22 ARG 26 HH22 ARG 26 19.979 3.874 0.440 217 HA PRO 27 HA PRO 27 14.178 -2.972 1.546 218 HB2 PRO 27 HB2 PRO 27 13.786 -0.606 3.219 219 HB3 PRO 27 HB1 PRO 27 13.096 -2.222 3.392 220 HG2 PRO 27 HG2 PRO 27 14.945 -1.241 5.103 221 HG3 PRO 27 HG1 PRO 27 14.826 -2.965 4.708 222 HD2 PRO 27 HD2 PRO 27 16.738 -0.907 3.669 223 HD3 PRO 27 HD1 PRO 27 17.041 -2.594 4.140 224 H VAL 28 HN VAL 28 12.966 -1.878 0.066 225 HA VAL 28 HA VAL 28 13.934 0.761 -0.815 226 HB VAL 28 HB VAL 28 13.379 0.103 -3.151 227 HG11 VAL 28 HG11 VAL 28 15.479 -1.571 -1.777 228 HG12 VAL 28 HG12 VAL 28 15.685 0.068 -2.396 229 HG13 VAL 28 HG13 VAL 28 15.391 -1.265 -3.512 230 HG21 VAL 28 HG21 VAL 28 13.118 -2.253 -3.706 231 HG22 VAL 28 HG22 VAL 28 11.837 -1.731 -2.612 232 HG23 VAL 28 HG23 VAL 28 13.191 -2.679 -1.996 233 H ASP 29 HN ASP 29 12.270 1.880 -2.234 234 HA ASP 29 HA ASP 29 10.218 2.816 -2.463 235 HB2 ASP 29 HB2 ASP 29 9.311 -0.002 -1.833 236 HB3 ASP 29 HB1 ASP 29 8.247 1.283 -2.395 237 H ILE 30 HN ILE 30 7.803 2.133 -0.986 238 HA ILE 30 HA ILE 30 8.366 3.647 1.382 239 HB ILE 30 HB ILE 30 5.761 2.282 0.748 240 HG12 ILE 30 HG12 ILE 30 6.205 3.473 -1.247 241 HG13 ILE 30 HG11 ILE 30 5.164 4.534 -0.304 242 HG21 ILE 30 HG21 ILE 30 4.796 4.104 2.031 243 HG22 ILE 30 HG22 ILE 30 6.396 4.808 2.262 244 HG23 ILE 30 HG23 ILE 30 6.007 3.247 2.985 245 HD11 ILE 30 HD11 ILE 30 7.205 5.752 0.441 246 HD12 ILE 30 HD12 ILE 30 6.886 5.849 -1.291 247 HD13 ILE 30 HD13 ILE 30 8.139 4.765 -0.685 248 HA PRO 31 HA PRO 31 9.183 0.138 4.016 249 HB2 PRO 31 HB2 PRO 31 8.939 1.409 6.414 250 HB3 PRO 31 HB1 PRO 31 10.365 1.553 5.381 251 HG2 PRO 31 HG2 PRO 31 8.042 3.419 5.675 252 HG3 PRO 31 HG1 PRO 31 9.774 3.794 5.579 253 HD2 PRO 31 HD2 PRO 31 8.133 4.060 3.458 254 HD3 PRO 31 HD1 PRO 31 9.826 3.556 3.281 255 H GLU 32 HN GLU 32 8.040 -1.344 5.167 256 HA GLU 32 HA GLU 32 5.339 -1.609 4.915 257 HB2 GLU 32 HB2 GLU 32 6.847 -3.423 5.597 258 HB3 GLU 32 HB1 GLU 32 7.029 -2.680 7.180 259 HG2 GLU 32 HG2 GLU 32 4.624 -2.994 7.581 260 HG3 GLU 32 HG1 GLU 32 4.485 -3.791 6.015 261 H ASP 33 HN ASP 33 7.009 0.350 7.244 262 HA ASP 33 HA ASP 33 5.177 0.560 9.291 263 HB2 ASP 33 HB2 ASP 33 6.871 2.773 8.115 264 HB3 ASP 33 HB1 ASP 33 6.124 2.794 9.710 265 H GLU 34 HN GLU 34 5.165 2.257 6.171 266 HA GLU 34 HA GLU 34 2.820 3.765 6.849 267 HB2 GLU 34 HB2 GLU 34 4.187 4.983 5.444 268 HB3 GLU 34 HB1 GLU 34 4.678 3.570 4.521 269 HG2 GLU 34 HG2 GLU 34 2.933 3.705 3.114 270 HG3 GLU 34 HG1 GLU 34 1.853 4.348 4.343 271 H LEU 35 HN LEU 35 3.557 0.723 5.429 272 HA LEU 35 HA LEU 35 1.144 0.439 3.904 273 HB2 LEU 35 HB2 LEU 35 3.254 -0.808 3.433 274 HB3 LEU 35 HB1 LEU 35 2.999 -1.717 4.911 275 HG LEU 35 HG LEU 35 0.750 -2.412 3.889 276 HD11 LEU 35 HD11 LEU 35 2.156 -1.385 1.431 277 HD12 LEU 35 HD12 LEU 35 0.632 -0.808 2.102 278 HD13 LEU 35 HD13 LEU 35 0.735 -2.429 1.418 279 HD21 LEU 35 HD21 LEU 35 2.615 -3.939 4.167 280 HD22 LEU 35 HD22 LEU 35 3.332 -3.363 2.661 281 HD23 LEU 35 HD23 LEU 35 1.798 -4.230 2.632 282 H GLU 36 HN GLU 36 2.180 -0.319 7.158 283 HA GLU 36 HA GLU 36 0.158 -2.083 7.923 284 HB2 GLU 36 HB2 GLU 36 2.155 -1.656 9.280 285 HB3 GLU 36 HB1 GLU 36 1.600 -0.017 9.596 286 HG2 GLU 36 HG2 GLU 36 -0.310 -0.869 10.815 287 HG3 GLU 36 HG1 GLU 36 0.170 -2.524 10.447 288 H GLU 37 HN GLU 37 0.192 1.404 7.647 289 HA GLU 37 HA GLU 37 -2.267 1.841 9.026 290 HB2 GLU 37 HB2 GLU 37 -0.502 3.575 8.717 291 HB3 GLU 37 HB1 GLU 37 -0.893 3.620 7.004 292 HG2 GLU 37 HG2 GLU 37 -3.011 4.121 9.050 293 HG3 GLU 37 HG1 GLU 37 -1.888 5.399 8.589 294 H ILE 38 HN ILE 38 -1.350 1.258 5.686 295 HA ILE 38 HA ILE 38 -3.768 1.950 4.448 296 HB ILE 38 HB ILE 38 -1.786 -0.173 3.599 297 HG12 ILE 38 HG12 ILE 38 -2.022 2.748 2.827 298 HG13 ILE 38 HG11 ILE 38 -0.777 2.057 3.863 299 HG21 ILE 38 HG21 ILE 38 -3.920 1.260 2.016 300 HG22 ILE 38 HG22 ILE 38 -3.949 -0.435 2.501 301 HG23 ILE 38 HG23 ILE 38 -2.732 0.135 1.359 302 HD11 ILE 38 HD11 ILE 38 0.144 0.823 2.044 303 HD12 ILE 38 HD12 ILE 38 -0.053 2.497 1.532 304 HD13 ILE 38 HD13 ILE 38 -1.198 1.271 0.993 305 H ARG 39 HN ARG 39 -2.638 -1.152 5.750 306 HA ARG 39 HA ARG 39 -4.965 -2.608 5.029 307 HB2 ARG 39 HB2 ARG 39 -2.922 -3.190 7.182 308 HB3 ARG 39 HB1 ARG 39 -4.109 -4.330 6.562 309 HG2 ARG 39 HG2 ARG 39 -2.797 -4.884 4.870 310 HG3 ARG 39 HG1 ARG 39 -2.590 -3.194 4.408 311 HD2 ARG 39 HD2 ARG 39 -0.433 -4.138 4.897 312 HD3 ARG 39 HD1 ARG 39 -0.848 -2.981 6.160 313 HE ARG 39 HE ARG 39 -1.700 -5.355 7.162 314 HH11 ARG 39 HH11 ARG 39 1.337 -4.227 5.874 315 HH12 ARG 39 HH12 ARG 39 2.293 -5.275 6.867 316 HH21 ARG 39 HH21 ARG 39 -0.447 -6.737 8.471 317 HH22 ARG 39 HH22 ARG 39 1.280 -6.701 8.343 318 H GLU 40 HN GLU 40 -3.868 -1.853 8.341 319 HA GLU 40 HA GLU 40 -6.075 -2.434 9.759 320 HB2 GLU 40 HB2 GLU 40 -4.319 -0.007 10.121 321 HB3 GLU 40 HB1 GLU 40 -5.456 -0.592 11.326 322 HG2 GLU 40 HG2 GLU 40 -3.106 -2.129 10.243 323 HG3 GLU 40 HG1 GLU 40 -3.170 -1.302 11.798 324 H ALA 41 HN ALA 41 -5.776 0.286 7.593 325 HA ALA 41 HA ALA 41 -7.971 1.790 8.536 326 HB1 ALA 41 HB1 ALA 41 -7.835 2.992 6.445 327 HB2 ALA 41 HB2 ALA 41 -6.832 1.719 5.747 328 HB3 ALA 41 HB3 ALA 41 -6.215 2.700 7.077 329 H PHE 42 HN PHE 42 -7.959 0.272 5.315 330 HA PHE 42 HA PHE 42 -10.819 0.047 5.407 331 HB2 PHE 42 HB2 PHE 42 -8.729 -0.555 3.337 332 HB3 PHE 42 HB1 PHE 42 -10.411 -1.014 3.099 333 HD1 PHE 42 HD1 PHE 42 -8.326 1.943 3.986 334 HD2 PHE 42 HD2 PHE 42 -11.860 0.481 2.119 335 HE1 PHE 42 HE1 PHE 42 -8.839 4.213 3.187 336 HE2 PHE 42 HE2 PHE 42 -12.379 2.747 1.316 337 HZ PHE 42 HZ PHE 42 -10.871 4.618 1.850 338 H LYS 43 HN LYS 43 -8.134 -2.100 5.891 339 HA LYS 43 HA LYS 43 -9.368 -4.552 5.406 340 HB2 LYS 43 HB2 LYS 43 -6.881 -3.855 6.137 341 HB3 LYS 43 HB1 LYS 43 -7.484 -4.401 7.695 342 HG2 LYS 43 HG2 LYS 43 -6.352 -6.200 6.557 343 HG3 LYS 43 HG1 LYS 43 -8.072 -6.560 6.694 344 HD2 LYS 43 HD2 LYS 43 -7.235 -7.148 4.480 345 HD3 LYS 43 HD1 LYS 43 -8.410 -5.835 4.379 346 HE2 LYS 43 HE2 LYS 43 -6.509 -5.402 2.923 347 HE3 LYS 43 HE1 LYS 43 -6.581 -4.212 4.225 348 HZ1 LYS 43 HZ1 LYS 43 -4.328 -4.995 3.866 349 HZ2 LYS 43 HZ2 LYS 43 -4.804 -6.593 4.145 350 HZ3 LYS 43 HZ3 LYS 43 -4.872 -5.461 5.399 351 H VAL 44 HN VAL 44 -9.405 -2.519 8.335 352 HA VAL 44 HA VAL 44 -10.820 -4.455 9.883 353 HB VAL 44 HB VAL 44 -11.234 -2.692 11.506 354 HG11 VAL 44 HG11 VAL 44 -9.087 -3.770 11.591 355 HG12 VAL 44 HG12 VAL 44 -8.889 -2.059 11.968 356 HG13 VAL 44 HG13 VAL 44 -8.443 -2.668 10.375 357 HG21 VAL 44 HG21 VAL 44 -10.458 -0.400 11.120 358 HG22 VAL 44 HG22 VAL 44 -11.734 -0.858 9.992 359 HG23 VAL 44 HG23 VAL 44 -10.055 -0.824 9.457 360 H PHE 45 HN PHE 45 -11.806 -1.744 7.821 361 HA PHE 45 HA PHE 45 -14.515 -1.695 8.567 362 HB2 PHE 45 HB2 PHE 45 -13.175 -0.992 5.951 363 HB3 PHE 45 HB1 PHE 45 -14.900 -0.781 6.223 364 HD1 PHE 45 HD2 PHE 45 -15.296 0.378 8.706 365 HD2 PHE 45 HD1 PHE 45 -11.995 0.964 6.088 366 HE1 PHE 45 HE2 PHE 45 -14.875 2.573 9.735 367 HE2 PHE 45 HE1 PHE 45 -11.564 3.158 7.115 368 HZ PHE 45 HZ PHE 45 -13.006 3.966 8.940 369 H ASP 46 HN ASP 46 -12.724 -4.044 6.879 370 HA ASP 46 HA ASP 46 -14.829 -5.202 5.355 371 HB2 ASP 46 HB2 ASP 46 -12.374 -5.561 4.943 372 HB3 ASP 46 HB1 ASP 46 -12.330 -6.560 6.393 373 H ARG 47 HN ARG 47 -16.593 -5.408 6.725 374 HA ARG 47 HA ARG 47 -16.694 -6.446 9.272 375 HB2 ARG 47 HB2 ARG 47 -18.793 -6.887 7.150 376 HB3 ARG 47 HB1 ARG 47 -19.037 -6.848 8.891 377 HG2 ARG 47 HG2 ARG 47 -18.385 -4.473 8.907 378 HG3 ARG 47 HG1 ARG 47 -18.214 -4.531 7.152 379 HD2 ARG 47 HD2 ARG 47 -20.378 -3.594 7.834 380 HD3 ARG 47 HD1 ARG 47 -20.561 -5.084 6.909 381 HE ARG 47 HE ARG 47 -20.540 -5.451 9.768 382 HH11 ARG 47 HH11 ARG 47 -22.497 -4.825 6.952 383 HH12 ARG 47 HH12 ARG 47 -23.955 -5.417 7.675 384 HH21 ARG 47 HH21 ARG 47 -22.456 -6.231 10.728 385 HH22 ARG 47 HH22 ARG 47 -23.933 -6.213 9.823 386 H ASP 48 HN ASP 48 -16.803 -8.217 6.197 387 HA ASP 48 HA ASP 48 -17.145 -10.758 7.478 388 HB2 ASP 48 HB2 ASP 48 -16.285 -10.166 4.639 389 HB3 ASP 48 HB1 ASP 48 -16.900 -11.700 5.248 390 H GLY 49 HN GLY 49 -14.466 -8.761 6.723 391 HA2 GLY 49 HA2 GLY 49 -12.208 -9.018 7.020 392 HA3 GLY 49 HA1 GLY 49 -12.622 -10.302 8.145 393 H ASN 50 HN ASN 50 -13.747 -10.727 4.930 394 HA ASN 50 HA ASN 50 -12.068 -13.035 4.599 395 HB2 ASN 50 HB2 ASN 50 -13.255 -13.108 2.316 396 HB3 ASN 50 HB1 ASN 50 -14.240 -13.328 3.757 397 HD21 ASN 50 HD21 ASN 50 -16.096 -12.671 2.680 398 HD22 ASN 50 HD22 ASN 50 -16.388 -11.016 2.278 399 H GLY 51 HN GLY 51 -11.278 -9.950 4.338 400 HA2 GLY 51 HA2 GLY 51 -9.249 -9.154 3.455 401 HA3 GLY 51 HA1 GLY 51 -9.232 -10.507 2.332 402 H PHE 52 HN PHE 52 -12.220 -9.675 1.905 403 HA PHE 52 HA PHE 52 -11.613 -7.562 -0.058 404 HB2 PHE 52 HB2 PHE 52 -13.908 -9.481 -0.353 405 HB3 PHE 52 HB1 PHE 52 -13.099 -8.529 -1.593 406 HD1 PHE 52 HD1 PHE 52 -10.833 -9.200 -2.372 407 HD2 PHE 52 HD2 PHE 52 -13.159 -11.640 0.228 408 HE1 PHE 52 HE1 PHE 52 -9.423 -11.138 -2.934 409 HE2 PHE 52 HE2 PHE 52 -11.754 -13.580 -0.327 410 HZ PHE 52 HZ PHE 52 -9.882 -13.331 -1.910 411 H ILE 53 HN ILE 53 -12.922 -5.794 -0.142 412 HA ILE 53 HA ILE 53 -14.961 -5.596 1.967 413 HB ILE 53 HB ILE 53 -13.460 -3.395 0.547 414 HG12 ILE 53 HG12 ILE 53 -13.246 -4.045 3.468 415 HG13 ILE 53 HG11 ILE 53 -12.305 -4.966 2.298 416 HG21 ILE 53 HG21 ILE 53 -15.441 -3.274 2.817 417 HG22 ILE 53 HG22 ILE 53 -15.678 -2.660 1.181 418 HG23 ILE 53 HG23 ILE 53 -14.476 -1.917 2.235 419 HD11 ILE 53 HD11 ILE 53 -11.289 -2.886 1.503 420 HD12 ILE 53 HD12 ILE 53 -10.996 -3.159 3.221 421 HD13 ILE 53 HD13 ILE 53 -12.211 -1.988 2.708 422 H SER 54 HN SER 54 -16.999 -5.692 1.334 423 HA SER 54 HA SER 54 -17.761 -5.455 -1.415 424 HB2 SER 54 HB2 SER 54 -18.890 -7.019 0.138 425 HB3 SER 54 HB1 SER 54 -19.509 -5.645 1.054 426 HG SER 54 HG SER 54 -21.068 -5.541 -0.334 427 H LYS 55 HN LYS 55 -19.962 -4.091 -1.732 428 HA LYS 55 HA LYS 55 -19.164 -1.385 -1.664 429 HB2 LYS 55 HB2 LYS 55 -21.891 -2.580 -2.187 430 HB3 LYS 55 HB1 LYS 55 -21.444 -0.912 -2.504 431 HG2 LYS 55 HG2 LYS 55 -21.225 -1.844 -4.585 432 HG3 LYS 55 HG1 LYS 55 -19.577 -1.980 -3.974 433 HD2 LYS 55 HD2 LYS 55 -20.173 -4.058 -5.008 434 HD3 LYS 55 HD1 LYS 55 -20.102 -4.310 -3.264 435 HE2 LYS 55 HE2 LYS 55 -22.530 -4.138 -3.129 436 HE3 LYS 55 HE1 LYS 55 -22.615 -3.835 -4.863 437 HZ1 LYS 55 HZ1 LYS 55 -21.612 -6.322 -3.587 438 HZ2 LYS 55 HZ2 LYS 55 -21.683 -6.033 -5.252 439 HZ3 LYS 55 HZ3 LYS 55 -23.111 -6.138 -4.351 440 H GLN 56 HN GLN 56 -21.638 -3.163 0.171 441 HA GLN 56 HA GLN 56 -22.613 -1.022 1.672 442 HB2 GLN 56 HB2 GLN 56 -22.472 -3.975 2.257 443 HB3 GLN 56 HB1 GLN 56 -23.261 -2.837 3.340 444 HG2 GLN 56 HG2 GLN 56 -24.897 -3.895 1.932 445 HG3 GLN 56 HG1 GLN 56 -24.779 -2.185 1.524 446 HE21 GLN 56 HE21 GLN 56 -23.946 -1.578 -0.457 447 HE22 GLN 56 HE22 GLN 56 -23.705 -2.699 -1.750 448 H GLU 57 HN GLU 57 -19.844 -3.130 2.226 449 HA GLU 57 HA GLU 57 -19.287 -2.141 4.850 450 HB2 GLU 57 HB2 GLU 57 -17.464 -3.584 2.913 451 HB3 GLU 57 HB1 GLU 57 -17.178 -3.367 4.633 452 HG2 GLU 57 HG2 GLU 57 -18.990 -4.788 5.203 453 HG3 GLU 57 HG1 GLU 57 -19.561 -4.833 3.535 454 H LEU 58 HN LEU 58 -17.930 -1.541 1.632 455 HA LEU 58 HA LEU 58 -15.955 0.293 2.386 456 HB2 LEU 58 HB2 LEU 58 -16.440 -0.909 0.121 457 HB3 LEU 58 HB1 LEU 58 -17.448 0.481 -0.216 458 HG LEU 58 HG LEU 58 -15.111 0.521 -1.180 459 HD11 LEU 58 HD11 LEU 58 -15.662 2.845 0.634 460 HD12 LEU 58 HD12 LEU 58 -16.613 2.515 -0.815 461 HD13 LEU 58 HD13 LEU 58 -14.886 2.846 -0.949 462 HD21 LEU 58 HD21 LEU 58 -14.349 1.076 1.681 463 HD22 LEU 58 HD22 LEU 58 -13.289 1.178 0.276 464 HD23 LEU 58 HD23 LEU 58 -13.945 -0.381 0.773 465 H GLY 59 HN GLY 59 -19.384 0.595 2.099 466 HA2 GLY 59 HA2 GLY 59 -19.552 3.407 1.726 467 HA3 GLY 59 HA1 GLY 59 -20.826 2.371 2.356 468 H THR 60 HN THR 60 -18.766 1.453 4.423 469 HA THR 60 HA THR 60 -19.458 3.460 6.399 470 HB THR 60 HB THR 60 -17.950 0.858 6.745 471 HG1 THR 60 HG1 THR 60 -20.489 1.231 6.200 472 HG21 THR 60 HG21 THR 60 -17.512 2.442 8.551 473 HG22 THR 60 HG22 THR 60 -18.520 1.113 9.123 474 HG23 THR 60 HG23 THR 60 -19.244 2.684 8.775 475 H ALA 61 HN ALA 61 -16.698 2.344 4.606 476 HA ALA 61 HA ALA 61 -14.669 3.513 6.202 477 HB1 ALA 61 HB1 ALA 61 -14.214 1.754 4.564 478 HB2 ALA 61 HB2 ALA 61 -13.222 3.181 4.268 479 HB3 ALA 61 HB3 ALA 61 -14.630 2.861 3.257 480 H MET 62 HN MET 62 -16.468 4.667 3.375 481 HA MET 62 HA MET 62 -15.052 7.100 3.085 482 HB2 MET 62 HB2 MET 62 -17.819 6.299 2.177 483 HB3 MET 62 HB1 MET 62 -17.019 7.788 1.700 484 HG2 MET 62 HG2 MET 62 -15.987 5.015 1.149 485 HG3 MET 62 HG1 MET 62 -16.858 6.027 -0.002 486 HE1 MET 62 HE1 MET 62 -14.373 8.958 -0.617 487 HE2 MET 62 HE2 MET 62 -15.757 8.891 0.475 488 HE3 MET 62 HE3 MET 62 -15.871 8.185 -1.137 489 H ARG 63 HN ARG 63 -18.198 6.371 4.595 490 HA ARG 63 HA ARG 63 -18.785 8.989 5.410 491 HB2 ARG 63 HB2 ARG 63 -20.412 7.997 6.917 492 HB3 ARG 63 HB1 ARG 63 -20.447 7.173 5.365 493 HG2 ARG 63 HG2 ARG 63 -19.136 5.343 6.294 494 HG3 ARG 63 HG1 ARG 63 -19.073 6.172 7.850 495 HD2 ARG 63 HD2 ARG 63 -21.561 5.196 6.452 496 HD3 ARG 63 HD1 ARG 63 -20.791 4.445 7.849 497 HE ARG 63 HE ARG 63 -21.314 7.024 8.619 498 HH11 ARG 63 HH11 ARG 63 -23.202 4.342 7.437 499 HH12 ARG 63 HH12 ARG 63 -24.634 4.808 8.293 500 HH21 ARG 63 HH21 ARG 63 -23.197 7.641 9.748 501 HH22 ARG 63 HH22 ARG 63 -24.631 6.680 9.606 502 H SER 64 HN SER 64 -16.712 6.568 6.783 503 HA SER 64 HA SER 64 -16.501 7.441 9.410 504 HB2 SER 64 HB2 SER 64 -15.467 5.367 8.606 505 HB3 SER 64 HB1 SER 64 -14.314 6.300 7.654 506 HG SER 64 HG SER 64 -13.218 5.952 9.471 507 H LEU 65 HN LEU 65 -14.940 8.659 6.497 508 HA LEU 65 HA LEU 65 -13.292 10.537 7.937 509 HB2 LEU 65 HB2 LEU 65 -13.879 10.567 4.986 510 HB3 LEU 65 HB1 LEU 65 -12.474 11.210 5.814 511 HG LEU 65 HG LEU 65 -13.138 8.276 5.543 512 HD11 LEU 65 HD11 LEU 65 -12.518 9.288 3.411 513 HD12 LEU 65 HD12 LEU 65 -11.259 8.199 3.996 514 HD13 LEU 65 HD13 LEU 65 -11.053 9.945 4.145 515 HD21 LEU 65 HD21 LEU 65 -11.905 8.767 7.586 516 HD22 LEU 65 HD22 LEU 65 -10.700 9.659 6.657 517 HD23 LEU 65 HD23 LEU 65 -10.883 7.920 6.424 518 H GLY 66 HN GLY 66 -16.509 10.449 6.946 519 HA2 GLY 66 HA2 GLY 66 -17.934 12.260 7.762 520 HA3 GLY 66 HA1 GLY 66 -16.702 13.385 7.212 521 H TYR 67 HN TYR 67 -17.290 10.745 5.128 522 HA TYR 67 HA TYR 67 -19.055 12.403 3.450 523 HB2 TYR 67 HB2 TYR 67 -16.850 10.612 2.412 524 HB3 TYR 67 HB1 TYR 67 -17.865 11.700 1.471 525 HD1 TYR 67 HD1 TYR 67 -17.505 14.123 1.559 526 HD2 TYR 67 HD2 TYR 67 -14.975 11.442 3.681 527 HE1 TYR 67 HE1 TYR 67 -15.853 15.921 1.848 528 HE2 TYR 67 HE2 TYR 67 -13.315 13.232 3.977 529 HH TYR 67 HH TYR 67 -12.681 15.353 2.895 530 H MET 68 HN MET 68 -20.921 11.308 3.996 531 HA MET 68 HA MET 68 -21.029 8.425 3.835 532 HB2 MET 68 HB2 MET 68 -23.487 8.803 4.334 533 HB3 MET 68 HB1 MET 68 -22.352 9.338 5.564 534 HG2 MET 68 HG2 MET 68 -23.365 11.253 3.505 535 HG3 MET 68 HG1 MET 68 -24.342 10.849 4.915 536 HE1 MET 68 HE1 MET 68 -22.230 10.482 7.230 537 HE2 MET 68 HE2 MET 68 -23.720 11.415 7.372 538 HE3 MET 68 HE3 MET 68 -22.184 12.122 7.877 539 HA PRO 69 HA PRO 69 -22.255 8.788 -0.492 540 HB2 PRO 69 HB2 PRO 69 -21.611 6.078 -0.949 541 HB3 PRO 69 HB1 PRO 69 -20.592 7.477 -1.284 542 HG2 PRO 69 HG2 PRO 69 -20.112 5.482 0.632 543 HG3 PRO 69 HG1 PRO 69 -19.269 7.032 0.491 544 HD2 PRO 69 HD2 PRO 69 -21.454 6.223 2.338 545 HD3 PRO 69 HD1 PRO 69 -20.133 7.384 2.583 546 H ASN 70 HN ASN 70 -23.983 8.045 -1.716 547 HA ASN 70 HA ASN 70 -26.106 6.790 -0.208 548 HB2 ASN 70 HB2 ASN 70 -26.178 7.654 -3.100 549 HB3 ASN 70 HB1 ASN 70 -27.541 7.430 -2.007 550 HD21 ASN 70 HD21 ASN 70 -26.597 9.758 -3.580 551 HD22 ASN 70 HD22 ASN 70 -26.439 11.042 -2.436 552 H GLU 71 HN GLU 71 -27.486 5.117 -1.395 553 HA GLU 71 HA GLU 71 -26.011 2.779 -1.750 554 HB2 GLU 71 HB2 GLU 71 -28.100 1.789 -2.612 555 HB3 GLU 71 HB1 GLU 71 -28.363 2.723 -1.147 556 HG2 GLU 71 HG2 GLU 71 -28.812 3.895 -3.868 557 HG3 GLU 71 HG1 GLU 71 -30.055 2.962 -3.036 558 H VAL 72 HN VAL 72 -26.934 5.239 -4.037 559 HA VAL 72 HA VAL 72 -26.245 3.656 -6.340 560 HB VAL 72 HB VAL 72 -26.535 6.030 -7.402 561 HG11 VAL 72 HG11 VAL 72 -28.855 4.487 -6.269 562 HG12 VAL 72 HG12 VAL 72 -28.015 4.127 -7.777 563 HG13 VAL 72 HG13 VAL 72 -28.932 5.624 -7.614 564 HG21 VAL 72 HG21 VAL 72 -28.082 7.454 -6.163 565 HG22 VAL 72 HG22 VAL 72 -26.551 7.266 -5.308 566 HG23 VAL 72 HG23 VAL 72 -27.972 6.363 -4.782 567 H GLU 73 HN GLU 73 -24.665 5.772 -4.147 568 HA GLU 73 HA GLU 73 -22.580 6.558 -5.991 569 HB2 GLU 73 HB2 GLU 73 -22.843 6.960 -3.007 570 HB3 GLU 73 HB1 GLU 73 -21.573 7.653 -4.008 571 HG2 GLU 73 HG2 GLU 73 -24.521 8.216 -4.238 572 HG3 GLU 73 HG1 GLU 73 -23.303 9.284 -3.541 573 H LEU 74 HN LEU 74 -22.806 4.491 -3.094 574 HA LEU 74 HA LEU 74 -20.153 3.678 -2.999 575 HB2 LEU 74 HB2 LEU 74 -21.081 1.598 -1.876 576 HB3 LEU 74 HB1 LEU 74 -21.464 3.142 -1.142 577 HG LEU 74 HG LEU 74 -23.681 2.974 -2.481 578 HD11 LEU 74 HD11 LEU 74 -23.024 1.079 -3.875 579 HD12 LEU 74 HD12 LEU 74 -24.434 0.694 -2.889 580 HD13 LEU 74 HD13 LEU 74 -22.846 0.079 -2.434 581 HD21 LEU 74 HD21 LEU 74 -24.701 1.685 -0.654 582 HD22 LEU 74 HD22 LEU 74 -23.547 2.879 -0.060 583 HD23 LEU 74 HD23 LEU 74 -23.094 1.176 -0.131 584 H GLU 75 HN GLU 75 -22.461 3.004 -5.379 585 HA GLU 75 HA GLU 75 -21.294 0.486 -6.207 586 HB2 GLU 75 HB2 GLU 75 -23.450 2.217 -7.419 587 HB3 GLU 75 HB1 GLU 75 -22.906 0.700 -8.123 588 HG2 GLU 75 HG2 GLU 75 -23.587 -0.475 -6.081 589 HG3 GLU 75 HG1 GLU 75 -24.165 1.049 -5.412 590 H VAL 76 HN VAL 76 -21.287 3.859 -7.273 591 HA VAL 76 HA VAL 76 -19.781 3.301 -9.649 592 HB VAL 76 HB VAL 76 -19.602 5.725 -9.917 593 HG11 VAL 76 HG11 VAL 76 -22.354 4.795 -9.111 594 HG12 VAL 76 HG12 VAL 76 -21.612 4.628 -10.703 595 HG13 VAL 76 HG13 VAL 76 -22.003 6.229 -10.075 596 HG21 VAL 76 HG21 VAL 76 -21.038 5.936 -7.274 597 HG22 VAL 76 HG22 VAL 76 -20.548 7.267 -8.321 598 HG23 VAL 76 HG23 VAL 76 -19.326 6.278 -7.521 599 H ILE 77 HN ILE 77 -19.020 4.092 -6.359 600 HA ILE 77 HA ILE 77 -16.293 4.844 -6.916 601 HB ILE 77 HB ILE 77 -17.595 4.180 -4.272 602 HG12 ILE 77 HG12 ILE 77 -16.956 6.976 -4.949 603 HG13 ILE 77 HG11 ILE 77 -18.241 6.260 -5.917 604 HG21 ILE 77 HG21 ILE 77 -15.719 5.447 -3.303 605 HG22 ILE 77 HG22 ILE 77 -15.006 5.590 -4.910 606 HG23 ILE 77 HG23 ILE 77 -15.181 4.002 -4.161 607 HD11 ILE 77 HD11 ILE 77 -19.414 5.647 -3.843 608 HD12 ILE 77 HD12 ILE 77 -19.185 7.386 -4.024 609 HD13 ILE 77 HD13 ILE 77 -18.157 6.472 -2.921 610 H ILE 78 HN ILE 78 -18.026 1.937 -6.136 611 HA ILE 78 HA ILE 78 -15.675 0.454 -5.363 612 HB ILE 78 HB ILE 78 -18.575 -0.212 -5.676 613 HG12 ILE 78 HG12 ILE 78 -17.707 0.740 -3.568 614 HG13 ILE 78 HG11 ILE 78 -18.354 -0.882 -3.347 615 HG21 ILE 78 HG21 ILE 78 -18.064 -2.578 -5.117 616 HG22 ILE 78 HG22 ILE 78 -16.360 -2.242 -5.426 617 HG23 ILE 78 HG23 ILE 78 -17.538 -2.103 -6.731 618 HD11 ILE 78 HD11 ILE 78 -16.055 -1.767 -3.407 619 HD12 ILE 78 HD12 ILE 78 -16.323 -0.630 -2.088 620 HD13 ILE 78 HD13 ILE 78 -15.449 -0.115 -3.531 621 H GLN 79 HN GLN 79 -17.302 1.162 -8.336 622 HA GLN 79 HA GLN 79 -16.317 -1.180 -9.711 623 HB2 GLN 79 HB2 GLN 79 -17.260 -0.152 -11.726 624 HB3 GLN 79 HB1 GLN 79 -18.430 -0.188 -10.415 625 HG2 GLN 79 HG2 GLN 79 -18.106 2.145 -9.983 626 HG3 GLN 79 HG1 GLN 79 -16.783 2.219 -11.146 627 HE21 GLN 79 HE21 GLN 79 -20.227 1.983 -10.724 628 HE22 GLN 79 HE22 GLN 79 -20.657 2.359 -12.355 629 H ARG 80 HN ARG 80 -15.053 1.821 -8.808 630 HA ARG 80 HA ARG 80 -13.244 2.137 -11.023 631 HB2 ARG 80 HB2 ARG 80 -13.317 3.461 -8.306 632 HB3 ARG 80 HB1 ARG 80 -12.232 3.916 -9.611 633 HG2 ARG 80 HG2 ARG 80 -15.237 4.028 -9.749 634 HG3 ARG 80 HG1 ARG 80 -14.181 5.402 -9.418 635 HD2 ARG 80 HD2 ARG 80 -14.199 3.733 -11.932 636 HD3 ARG 80 HD1 ARG 80 -14.857 5.360 -11.761 637 HE ARG 80 HE ARG 80 -12.235 5.574 -11.002 638 HH11 ARG 80 HH11 ARG 80 -13.914 4.486 -13.855 639 HH12 ARG 80 HH12 ARG 80 -12.643 4.948 -14.936 640 HH21 ARG 80 HH21 ARG 80 -10.556 6.184 -12.417 641 HH22 ARG 80 HH22 ARG 80 -10.733 5.909 -14.119 642 H LEU 81 HN LEU 81 -13.187 0.662 -7.858 643 HA LEU 81 HA LEU 81 -10.324 0.124 -8.054 644 HB2 LEU 81 HB2 LEU 81 -12.342 -0.346 -5.865 645 HB3 LEU 81 HB1 LEU 81 -10.692 -0.932 -5.780 646 HG LEU 81 HG LEU 81 -9.939 1.470 -6.030 647 HD11 LEU 81 HD11 LEU 81 -11.573 3.201 -5.431 648 HD12 LEU 81 HD12 LEU 81 -12.857 1.993 -5.485 649 HD13 LEU 81 HD13 LEU 81 -11.974 2.410 -6.955 650 HD21 LEU 81 HD21 LEU 81 -9.918 0.299 -3.892 651 HD22 LEU 81 HD22 LEU 81 -11.599 0.757 -3.617 652 HD23 LEU 81 HD23 LEU 81 -10.346 1.997 -3.681 653 H ASP 82 HN ASP 82 -13.416 -1.580 -7.909 654 HA ASP 82 HA ASP 82 -12.302 -4.192 -8.049 655 HB2 ASP 82 HB2 ASP 82 -14.555 -3.746 -7.157 656 HB3 ASP 82 HB1 ASP 82 -15.085 -3.238 -8.758 657 H MET 83 HN MET 83 -10.784 -3.943 -9.783 658 HA MET 83 HA MET 83 -11.625 -3.314 -12.433 659 HB2 MET 83 HB2 MET 83 -9.107 -4.660 -11.447 660 HB3 MET 83 HB1 MET 83 -9.365 -4.079 -13.086 661 HG2 MET 83 HG2 MET 83 -9.620 -1.798 -12.224 662 HG3 MET 83 HG1 MET 83 -9.309 -2.394 -10.594 663 HE1 MET 83 HE1 MET 83 -6.937 -3.331 -9.777 664 HE2 MET 83 HE2 MET 83 -5.602 -3.636 -10.889 665 HE3 MET 83 HE3 MET 83 -7.099 -4.557 -11.035 666 H ASP 84 HN ASP 84 -10.907 -6.367 -10.762 667 HA ASP 84 HA ASP 84 -11.296 -8.001 -13.043 668 HB2 ASP 84 HB2 ASP 84 -11.518 -9.855 -11.334 669 HB3 ASP 84 HB1 ASP 84 -10.030 -8.916 -11.250 670 H GLY 85 HN GLY 85 -13.478 -6.468 -10.878 671 HA2 GLY 85 HA2 GLY 85 -15.774 -6.262 -11.072 672 HA3 GLY 85 HA1 GLY 85 -15.725 -7.376 -12.427 673 H ASP 86 HN ASP 86 -14.528 -7.997 -9.152 674 HA ASP 86 HA ASP 86 -16.282 -10.324 -9.030 675 HB2 ASP 86 HB2 ASP 86 -14.872 -11.182 -7.361 676 HB3 ASP 86 HB1 ASP 86 -13.770 -10.348 -8.452 677 H GLY 87 HN GLY 87 -16.772 -7.239 -8.382 678 HA2 GLY 87 HA2 GLY 87 -18.530 -6.277 -7.207 679 HA3 GLY 87 HA1 GLY 87 -18.788 -7.811 -6.391 680 H GLN 88 HN GLN 88 -15.758 -7.705 -5.776 681 HA GLN 88 HA GLN 88 -15.944 -5.786 -3.547 682 HB2 GLN 88 HB2 GLN 88 -14.685 -8.533 -3.474 683 HB3 GLN 88 HB1 GLN 88 -14.722 -7.383 -2.144 684 HG2 GLN 88 HG2 GLN 88 -17.113 -7.548 -1.997 685 HG3 GLN 88 HG1 GLN 88 -17.169 -8.568 -3.433 686 HE21 GLN 88 HE21 GLN 88 -18.096 -9.067 -0.698 687 HE22 GLN 88 HE22 GLN 88 -17.300 -10.513 -0.187 688 H VAL 89 HN VAL 89 -13.770 -5.230 -2.619 689 HA VAL 89 HA VAL 89 -11.846 -4.891 -4.820 690 HB VAL 89 HB VAL 89 -12.050 -3.263 -2.285 691 HG11 VAL 89 HG11 VAL 89 -10.605 -1.683 -3.498 692 HG12 VAL 89 HG12 VAL 89 -10.491 -2.834 -4.830 693 HG13 VAL 89 HG13 VAL 89 -9.829 -3.247 -3.248 694 HG21 VAL 89 HG21 VAL 89 -13.027 -1.509 -3.719 695 HG22 VAL 89 HG22 VAL 89 -14.052 -2.939 -3.606 696 HG23 VAL 89 HG23 VAL 89 -13.084 -2.661 -5.054 697 H ASP 90 HN ASP 90 -9.900 -5.795 -4.697 698 HA ASP 90 HA ASP 90 -9.188 -7.269 -2.288 699 HB2 ASP 90 HB2 ASP 90 -9.045 -8.397 -4.476 700 HB3 ASP 90 HB1 ASP 90 -7.850 -7.215 -5.002 701 H PHE 91 HN PHE 91 -7.174 -7.072 -1.235 702 HA PHE 91 HA PHE 91 -6.316 -4.550 -0.610 703 HB2 PHE 91 HB2 PHE 91 -5.765 -6.560 0.695 704 HB3 PHE 91 HB1 PHE 91 -4.652 -7.075 -0.566 705 HD1 PHE 91 HD2 PHE 91 -5.208 -3.786 1.124 706 HD2 PHE 91 HD1 PHE 91 -2.504 -6.947 0.217 707 HE1 PHE 91 HE2 PHE 91 -3.392 -2.545 2.225 708 HE2 PHE 91 HE1 PHE 91 -0.685 -5.711 1.318 709 HZ PHE 91 HZ PHE 91 -1.127 -3.508 2.325 710 H GLU 92 HN GLU 92 -4.745 -6.754 -2.937 711 HA GLU 92 HA GLU 92 -2.639 -5.134 -3.707 712 HB2 GLU 92 HB2 GLU 92 -4.232 -7.011 -5.466 713 HB3 GLU 92 HB1 GLU 92 -2.617 -6.407 -5.811 714 HG2 GLU 92 HG2 GLU 92 -1.762 -7.555 -3.835 715 HG3 GLU 92 HG1 GLU 92 -3.380 -8.154 -3.482 716 H GLU 93 HN GLU 93 -5.836 -5.355 -5.291 717 HA GLU 93 HA GLU 93 -5.434 -3.361 -7.184 718 HB2 GLU 93 HB2 GLU 93 -7.999 -4.126 -5.778 719 HB3 GLU 93 HB1 GLU 93 -7.902 -3.175 -7.253 720 HG2 GLU 93 HG2 GLU 93 -6.955 -5.042 -8.445 721 HG3 GLU 93 HG1 GLU 93 -6.901 -5.998 -6.965 722 H PHE 94 HN PHE 94 -5.904 -3.105 -3.787 723 HA PHE 94 HA PHE 94 -6.698 -0.310 -3.908 724 HB2 PHE 94 HB2 PHE 94 -7.742 -1.816 -2.253 725 HB3 PHE 94 HB1 PHE 94 -6.169 -2.068 -1.506 726 HD1 PHE 94 HD2 PHE 94 -8.223 0.856 -2.601 727 HD2 PHE 94 HD1 PHE 94 -5.841 -0.923 0.445 728 HE1 PHE 94 HE2 PHE 94 -8.593 2.821 -1.170 729 HE2 PHE 94 HE1 PHE 94 -6.208 1.042 1.884 730 HZ PHE 94 HZ PHE 94 -7.585 2.916 1.074 731 H VAL 95 HN VAL 95 -3.829 -2.219 -3.247 732 HA VAL 95 HA VAL 95 -2.391 -0.087 -1.999 733 HB VAL 95 HB VAL 95 -0.406 -1.478 -2.219 734 HG11 VAL 95 HG11 VAL 95 -2.866 -2.942 -1.310 735 HG12 VAL 95 HG12 VAL 95 -1.815 -1.908 -0.340 736 HG13 VAL 95 HG13 VAL 95 -1.215 -3.449 -0.954 737 HG21 VAL 95 HG21 VAL 95 -2.102 -3.477 -3.679 738 HG22 VAL 95 HG22 VAL 95 -0.380 -3.583 -3.325 739 HG23 VAL 95 HG23 VAL 95 -0.972 -2.385 -4.475 740 H THR 96 HN THR 96 -2.748 -1.223 -5.314 741 HA THR 96 HA THR 96 -0.579 0.346 -6.321 742 HB THR 96 HB THR 96 -2.874 -0.909 -7.838 743 HG1 THR 96 HG1 THR 96 -1.118 -2.168 -6.486 744 HG21 THR 96 HG21 THR 96 -1.341 -0.797 -9.761 745 HG22 THR 96 HG22 THR 96 -0.165 0.060 -8.764 746 HG23 THR 96 HG23 THR 96 -1.721 0.806 -9.132 747 H LEU 97 HN LEU 97 -4.127 0.655 -6.395 748 HA LEU 97 HA LEU 97 -4.178 3.074 -7.846 749 HB2 LEU 97 HB2 LEU 97 -6.193 1.968 -5.890 750 HB3 LEU 97 HB1 LEU 97 -6.488 3.296 -6.996 751 HG LEU 97 HG LEU 97 -5.842 0.467 -7.831 752 HD11 LEU 97 HD11 LEU 97 -8.179 0.331 -8.492 753 HD12 LEU 97 HD12 LEU 97 -8.465 1.951 -7.857 754 HD13 LEU 97 HD13 LEU 97 -8.033 0.639 -6.762 755 HD21 LEU 97 HD21 LEU 97 -6.499 1.236 -10.064 756 HD22 LEU 97 HD22 LEU 97 -5.098 2.119 -9.457 757 HD23 LEU 97 HD23 LEU 97 -6.692 2.874 -9.439 758 H LEU 98 HN LEU 98 -3.515 2.369 -4.541 759 HA LEU 98 HA LEU 98 -3.812 5.185 -3.780 760 HB2 LEU 98 HB2 LEU 98 -4.842 3.459 -2.339 761 HB3 LEU 98 HB1 LEU 98 -3.256 2.767 -2.059 762 HG LEU 98 HG LEU 98 -3.547 5.632 -1.384 763 HD11 LEU 98 HD11 LEU 98 -4.634 5.151 0.748 764 HD12 LEU 98 HD12 LEU 98 -4.850 3.469 0.264 765 HD13 LEU 98 HD13 LEU 98 -5.688 4.751 -0.609 766 HD21 LEU 98 HD21 LEU 98 -2.197 4.922 0.542 767 HD22 LEU 98 HD22 LEU 98 -1.466 4.442 -0.990 768 HD23 LEU 98 HD23 LEU 98 -2.313 3.250 -0.006 769 H GLY 99 HN GLY 99 -1.466 2.885 -4.671 770 HA2 GLY 99 HA2 GLY 99 0.682 4.610 -3.598 771 HA3 GLY 99 HA1 GLY 99 0.848 2.874 -3.815 772 HA PRO 100 HA PRO 100 0.997 4.880 -8.209 773 HB2 PRO 100 HB2 PRO 100 1.498 7.525 -8.346 774 HB3 PRO 100 HB1 PRO 100 -0.144 6.884 -8.206 775 HG2 PRO 100 HG2 PRO 100 1.634 8.020 -6.079 776 HG3 PRO 100 HG1 PRO 100 -0.095 8.302 -6.359 777 HD2 PRO 100 HD2 PRO 100 0.843 6.571 -4.479 778 HD3 PRO 100 HD1 PRO 100 -0.712 6.355 -5.308
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